USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 792 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 49 ASN : amide:sc= 0 X(o=-0.44,f=-0.44) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -0.44 X(o=-0.44,f=0.044) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.776 USER MOD Set 2.2: A 65 THR OG1 : rot -71:sc= 0.884 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0.607 USER MOD Set 3.2: A 8 LYS NZ :NH3+ -138:sc= 0.685 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.0165 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-5.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -122:sc= -0.047 (180deg=-2.9!) USER MOD Single : A 43 MET CE :methyl -126:sc= 0 (180deg=-0.0129) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.6! C(o=-1.6!,f=-6.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc=-0.00231 F(o=-0.97,f=-0.0023) USER MOD Single : A 89 GLN : amide:sc= -1.84 X(o=-1.8,f=-1.5) USER MOD Single : A 96 SER OG : rot 62:sc= 0.424 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 16:sc= 0.386 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.878 -12.591 -24.327 1.00 0.00 N ATOM 2 CA GLY A 1 10.114 -12.847 -23.611 1.00 0.00 C ATOM 3 C GLY A 1 9.902 -12.960 -22.114 1.00 0.00 C ATOM 4 O GLY A 1 10.642 -12.366 -21.330 1.00 0.00 O ATOM 0 H1 GLY A 1 9.075 -12.522 -25.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.210 -13.369 -24.155 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.462 -11.698 -23.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.562 -13.769 -23.982 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.822 -12.044 -23.815 1.00 0.00 H new ATOM 8 N SER A 2 8.890 -13.724 -21.717 1.00 0.00 N ATOM 9 CA SER A 2 8.580 -13.908 -20.303 1.00 0.00 C ATOM 10 C SER A 2 8.171 -15.351 -20.020 1.00 0.00 C ATOM 11 O SER A 2 7.333 -15.918 -20.719 1.00 0.00 O ATOM 12 CB SER A 2 7.462 -12.956 -19.876 1.00 0.00 C ATOM 13 OG SER A 2 7.956 -11.642 -19.682 1.00 0.00 O ATOM 0 H SER A 2 8.271 -14.226 -22.353 1.00 0.00 H new ATOM 0 HA SER A 2 9.478 -13.683 -19.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.680 -12.945 -20.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.006 -13.316 -18.954 1.00 0.00 H new ATOM 0 HG SER A 2 8.861 -11.575 -20.052 1.00 0.00 H new ATOM 19 N SER A 3 8.771 -15.937 -18.988 1.00 0.00 N ATOM 20 CA SER A 3 8.474 -17.314 -18.614 1.00 0.00 C ATOM 21 C SER A 3 9.014 -17.627 -17.222 1.00 0.00 C ATOM 22 O SER A 3 9.845 -16.895 -16.687 1.00 0.00 O ATOM 23 CB SER A 3 9.071 -18.284 -19.635 1.00 0.00 C ATOM 24 OG SER A 3 8.572 -19.596 -19.446 1.00 0.00 O ATOM 0 H SER A 3 9.465 -15.479 -18.397 1.00 0.00 H new ATOM 0 HA SER A 3 7.391 -17.435 -18.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.836 -17.944 -20.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.157 -18.288 -19.545 1.00 0.00 H new ATOM 0 HG SER A 3 8.968 -20.196 -20.112 1.00 0.00 H new ATOM 30 N GLY A 4 8.535 -18.723 -16.641 1.00 0.00 N ATOM 31 CA GLY A 4 8.981 -19.116 -15.316 1.00 0.00 C ATOM 32 C GLY A 4 7.884 -18.996 -14.277 1.00 0.00 C ATOM 33 O GLY A 4 6.963 -18.192 -14.424 1.00 0.00 O ATOM 0 H GLY A 4 7.846 -19.346 -17.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.338 -20.146 -15.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.826 -18.494 -15.021 1.00 0.00 H new ATOM 37 N SER A 5 7.979 -19.802 -13.224 1.00 0.00 N ATOM 38 CA SER A 5 6.984 -19.788 -12.158 1.00 0.00 C ATOM 39 C SER A 5 7.455 -20.612 -10.964 1.00 0.00 C ATOM 40 O SER A 5 7.788 -21.789 -11.100 1.00 0.00 O ATOM 41 CB SER A 5 5.648 -20.329 -12.671 1.00 0.00 C ATOM 42 OG SER A 5 4.601 -20.053 -11.758 1.00 0.00 O ATOM 0 H SER A 5 8.735 -20.473 -13.086 1.00 0.00 H new ATOM 0 HA SER A 5 6.849 -18.756 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.418 -19.882 -13.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.724 -21.405 -12.827 1.00 0.00 H new ATOM 0 HG SER A 5 3.758 -20.408 -12.110 1.00 0.00 H new ATOM 48 N SER A 6 7.480 -19.984 -9.792 1.00 0.00 N ATOM 49 CA SER A 6 7.914 -20.656 -8.574 1.00 0.00 C ATOM 50 C SER A 6 7.522 -19.851 -7.340 1.00 0.00 C ATOM 51 O SER A 6 7.634 -18.626 -7.323 1.00 0.00 O ATOM 52 CB SER A 6 9.428 -20.873 -8.596 1.00 0.00 C ATOM 53 OG SER A 6 9.856 -21.603 -7.460 1.00 0.00 O ATOM 0 H SER A 6 7.205 -19.011 -9.661 1.00 0.00 H new ATOM 0 HA SER A 6 7.417 -21.625 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.708 -21.409 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.936 -19.909 -8.625 1.00 0.00 H new ATOM 0 HG SER A 6 10.827 -21.730 -7.499 1.00 0.00 H new ATOM 59 N GLY A 7 7.061 -20.549 -6.306 1.00 0.00 N ATOM 60 CA GLY A 7 6.659 -19.883 -5.081 1.00 0.00 C ATOM 61 C GLY A 7 6.370 -20.859 -3.957 1.00 0.00 C ATOM 62 O GLY A 7 5.228 -20.993 -3.519 1.00 0.00 O ATOM 0 H GLY A 7 6.959 -21.564 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.447 -19.197 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.770 -19.282 -5.273 1.00 0.00 H new ATOM 66 N LYS A 8 7.408 -21.546 -3.491 1.00 0.00 N ATOM 67 CA LYS A 8 7.262 -22.516 -2.413 1.00 0.00 C ATOM 68 C LYS A 8 7.389 -21.839 -1.052 1.00 0.00 C ATOM 69 O LYS A 8 8.166 -20.899 -0.887 1.00 0.00 O ATOM 70 CB LYS A 8 8.314 -23.620 -2.546 1.00 0.00 C ATOM 71 CG LYS A 8 8.049 -24.577 -3.696 1.00 0.00 C ATOM 72 CD LYS A 8 8.367 -23.938 -5.037 1.00 0.00 C ATOM 73 CE LYS A 8 8.454 -24.978 -6.143 1.00 0.00 C ATOM 74 NZ LYS A 8 9.310 -24.518 -7.272 1.00 0.00 N ATOM 0 H LYS A 8 8.360 -21.448 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 8 6.269 -22.959 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.294 -23.162 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.354 -24.186 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.651 -25.476 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.004 -24.888 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.598 -23.206 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.311 -23.398 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.856 -25.906 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.453 -25.199 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.861 -24.773 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.425 -23.486 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.243 -24.974 -7.208 1.00 0.00 H new ATOM 88 N GLU A 9 6.624 -22.326 -0.079 1.00 0.00 N ATOM 89 CA GLU A 9 6.652 -21.768 1.267 1.00 0.00 C ATOM 90 C GLU A 9 6.131 -22.777 2.285 1.00 0.00 C ATOM 91 O GLU A 9 5.062 -23.362 2.104 1.00 0.00 O ATOM 92 CB GLU A 9 5.820 -20.486 1.329 1.00 0.00 C ATOM 93 CG GLU A 9 4.387 -20.667 0.858 1.00 0.00 C ATOM 94 CD GLU A 9 3.610 -19.365 0.836 1.00 0.00 C ATOM 95 OE1 GLU A 9 3.853 -18.544 -0.072 1.00 0.00 O ATOM 96 OE2 GLU A 9 2.759 -19.168 1.729 1.00 0.00 O ATOM 0 H GLU A 9 5.978 -23.106 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 9 7.687 -21.532 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.813 -20.117 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.300 -19.721 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.389 -21.101 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.881 -21.377 1.512 1.00 0.00 H new ATOM 103 N ALA A 10 6.891 -22.976 3.356 1.00 0.00 N ATOM 104 CA ALA A 10 6.505 -23.913 4.405 1.00 0.00 C ATOM 105 C ALA A 10 6.552 -23.250 5.777 1.00 0.00 C ATOM 106 O ALA A 10 7.610 -23.162 6.400 1.00 0.00 O ATOM 107 CB ALA A 10 7.409 -25.137 4.377 1.00 0.00 C ATOM 0 H ALA A 10 7.778 -22.501 3.521 1.00 0.00 H new ATOM 0 HA ALA A 10 5.479 -24.228 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.110 -25.828 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.323 -25.631 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.443 -24.830 4.537 1.00 0.00 H new ATOM 113 N LEU A 11 5.397 -22.784 6.243 1.00 0.00 N ATOM 114 CA LEU A 11 5.306 -22.129 7.542 1.00 0.00 C ATOM 115 C LEU A 11 3.938 -22.366 8.177 1.00 0.00 C ATOM 116 O LEU A 11 2.905 -22.152 7.545 1.00 0.00 O ATOM 117 CB LEU A 11 5.558 -20.627 7.397 1.00 0.00 C ATOM 118 CG LEU A 11 5.291 -19.777 8.640 1.00 0.00 C ATOM 119 CD1 LEU A 11 6.123 -18.505 8.606 1.00 0.00 C ATOM 120 CD2 LEU A 11 3.809 -19.445 8.749 1.00 0.00 C ATOM 0 H LEU A 11 4.512 -22.848 5.740 1.00 0.00 H new ATOM 0 HA LEU A 11 6.068 -22.559 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.596 -20.481 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.936 -20.252 6.585 1.00 0.00 H new ATOM 0 HG LEU A 11 5.581 -20.352 9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.920 -17.913 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.182 -18.763 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.865 -17.925 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.636 -18.840 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.495 -18.889 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.234 -20.368 8.821 1.00 0.00 H new ATOM 132 N GLU A 12 3.943 -22.809 9.431 1.00 0.00 N ATOM 133 CA GLU A 12 2.703 -23.074 10.151 1.00 0.00 C ATOM 134 C GLU A 12 2.725 -22.421 11.530 1.00 0.00 C ATOM 135 O GLU A 12 3.580 -22.727 12.360 1.00 0.00 O ATOM 136 CB GLU A 12 2.481 -24.582 10.291 1.00 0.00 C ATOM 137 CG GLU A 12 1.315 -24.943 11.195 1.00 0.00 C ATOM 138 CD GLU A 12 0.899 -26.395 11.059 1.00 0.00 C ATOM 139 OE1 GLU A 12 1.452 -27.241 11.794 1.00 0.00 O ATOM 140 OE2 GLU A 12 0.023 -26.686 10.219 1.00 0.00 O ATOM 0 H GLU A 12 4.791 -22.992 9.968 1.00 0.00 H new ATOM 0 HA GLU A 12 1.881 -22.645 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.310 -25.009 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.389 -25.040 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.588 -24.743 12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.465 -24.302 10.959 1.00 0.00 H new ATOM 147 N ALA A 13 1.776 -21.520 11.766 1.00 0.00 N ATOM 148 CA ALA A 13 1.684 -20.825 13.044 1.00 0.00 C ATOM 149 C ALA A 13 0.248 -20.409 13.341 1.00 0.00 C ATOM 150 O ALA A 13 -0.637 -20.550 12.496 1.00 0.00 O ATOM 151 CB ALA A 13 2.600 -19.609 13.051 1.00 0.00 C ATOM 0 H ALA A 13 1.061 -21.255 11.089 1.00 0.00 H new ATOM 0 HA ALA A 13 2.004 -21.512 13.827 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.521 -19.100 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.630 -19.929 12.893 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.306 -18.927 12.253 1.00 0.00 H new ATOM 157 N LEU A 14 0.022 -19.898 14.546 1.00 0.00 N ATOM 158 CA LEU A 14 -1.309 -19.462 14.955 1.00 0.00 C ATOM 159 C LEU A 14 -1.360 -17.945 15.113 1.00 0.00 C ATOM 160 O LEU A 14 -2.285 -17.291 14.629 1.00 0.00 O ATOM 161 CB LEU A 14 -1.706 -20.136 16.269 1.00 0.00 C ATOM 162 CG LEU A 14 -0.582 -20.346 17.284 1.00 0.00 C ATOM 163 CD1 LEU A 14 -1.146 -20.453 18.692 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.228 -21.586 16.935 1.00 0.00 C ATOM 0 H LEU A 14 0.743 -19.775 15.257 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.015 -19.752 14.177 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.486 -19.537 16.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.145 -21.106 16.038 1.00 0.00 H new ATOM 0 HG LEU A 14 0.081 -19.482 17.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.331 -20.602 19.400 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.680 -19.536 18.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.832 -21.298 18.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.023 -21.719 17.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.423 -22.460 16.943 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.665 -21.468 15.943 1.00 0.00 H new ATOM 176 N VAL A 15 -0.360 -17.391 15.792 1.00 0.00 N ATOM 177 CA VAL A 15 -0.290 -15.951 16.010 1.00 0.00 C ATOM 178 C VAL A 15 0.213 -15.231 14.764 1.00 0.00 C ATOM 179 O VAL A 15 1.137 -15.681 14.086 1.00 0.00 O ATOM 180 CB VAL A 15 0.632 -15.609 17.196 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.743 -14.101 17.367 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.125 -16.264 18.471 1.00 0.00 C ATOM 0 H VAL A 15 0.412 -17.918 16.200 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.302 -15.614 16.236 1.00 0.00 H new ATOM 0 HB VAL A 15 1.627 -16.001 16.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.398 -13.878 18.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.156 -13.661 16.459 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.246 -13.682 17.555 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.788 -16.012 19.298 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.881 -15.905 18.690 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.103 -17.346 18.340 1.00 0.00 H new ATOM 192 N PRO A 16 -0.408 -14.083 14.453 1.00 0.00 N ATOM 193 CA PRO A 16 -0.040 -13.274 13.288 1.00 0.00 C ATOM 194 C PRO A 16 1.321 -12.607 13.452 1.00 0.00 C ATOM 195 O PRO A 16 1.995 -12.788 14.467 1.00 0.00 O ATOM 196 CB PRO A 16 -1.148 -12.220 13.223 1.00 0.00 C ATOM 197 CG PRO A 16 -1.650 -12.112 14.623 1.00 0.00 C ATOM 198 CD PRO A 16 -1.517 -13.487 15.217 1.00 0.00 C ATOM 0 HA PRO A 16 0.046 -13.877 12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.765 -11.264 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.942 -12.522 12.540 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.070 -11.384 15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.687 -11.778 14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.293 -13.444 16.283 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.436 -14.063 15.107 1.00 0.00 H new ATOM 206 N VAL A 17 1.721 -11.835 12.446 1.00 0.00 N ATOM 207 CA VAL A 17 3.003 -11.139 12.481 1.00 0.00 C ATOM 208 C VAL A 17 2.922 -9.803 11.749 1.00 0.00 C ATOM 209 O VAL A 17 2.143 -9.643 10.807 1.00 0.00 O ATOM 210 CB VAL A 17 4.120 -11.990 11.849 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.587 -13.062 12.821 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.644 -12.612 10.545 1.00 0.00 C ATOM 0 H VAL A 17 1.177 -11.676 11.598 1.00 0.00 H new ATOM 0 HA VAL A 17 3.240 -10.962 13.530 1.00 0.00 H new ATOM 0 HB VAL A 17 4.966 -11.340 11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.376 -13.654 12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.970 -12.591 13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.749 -13.711 13.077 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.446 -13.210 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.781 -13.249 10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.363 -11.823 9.847 1.00 0.00 H new ATOM 222 N THR A 18 3.731 -8.844 12.189 1.00 0.00 N ATOM 223 CA THR A 18 3.751 -7.522 11.577 1.00 0.00 C ATOM 224 C THR A 18 4.840 -7.424 10.514 1.00 0.00 C ATOM 225 O THR A 18 5.958 -7.901 10.713 1.00 0.00 O ATOM 226 CB THR A 18 3.976 -6.420 12.628 1.00 0.00 C ATOM 227 OG1 THR A 18 2.911 -6.431 13.586 1.00 0.00 O ATOM 228 CG2 THR A 18 4.058 -5.051 11.970 1.00 0.00 C ATOM 0 H THR A 18 4.381 -8.959 12.967 1.00 0.00 H new ATOM 0 HA THR A 18 2.777 -7.376 11.110 1.00 0.00 H new ATOM 0 HB THR A 18 4.921 -6.620 13.133 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.063 -5.728 14.252 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.217 -4.289 12.733 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.888 -5.036 11.264 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.128 -4.845 11.441 1.00 0.00 H new ATOM 236 N ILE A 19 4.507 -6.802 9.388 1.00 0.00 N ATOM 237 CA ILE A 19 5.458 -6.641 8.295 1.00 0.00 C ATOM 238 C ILE A 19 5.679 -5.168 7.972 1.00 0.00 C ATOM 239 O ILE A 19 5.135 -4.288 8.638 1.00 0.00 O ATOM 240 CB ILE A 19 4.984 -7.369 7.023 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.599 -6.866 6.609 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.960 -8.873 7.251 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.159 -7.361 5.248 1.00 0.00 C ATOM 0 H ILE A 19 3.586 -6.401 9.209 1.00 0.00 H new ATOM 0 HA ILE A 19 6.398 -7.083 8.627 1.00 0.00 H new ATOM 0 HB ILE A 19 5.685 -7.155 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.869 -7.181 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.603 -5.776 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.623 -9.373 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.962 -9.219 7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.278 -9.106 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.169 -6.966 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.868 -7.024 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.123 -8.450 5.251 1.00 0.00 H new ATOM 255 N GLU A 20 6.481 -4.907 6.943 1.00 0.00 N ATOM 256 CA GLU A 20 6.772 -3.539 6.532 1.00 0.00 C ATOM 257 C GLU A 20 6.572 -3.369 5.028 1.00 0.00 C ATOM 258 O GLU A 20 7.100 -4.144 4.229 1.00 0.00 O ATOM 259 CB GLU A 20 8.205 -3.162 6.913 1.00 0.00 C ATOM 260 CG GLU A 20 8.327 -2.561 8.302 1.00 0.00 C ATOM 261 CD GLU A 20 9.737 -2.097 8.615 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.692 -2.793 8.215 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.884 -1.039 9.262 1.00 0.00 O ATOM 0 H GLU A 20 6.939 -5.624 6.381 1.00 0.00 H new ATOM 0 HA GLU A 20 6.080 -2.876 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.833 -4.051 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.591 -2.450 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.643 -1.717 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.019 -3.300 9.042 1.00 0.00 H new ATOM 270 N VAL A 21 5.807 -2.350 4.649 1.00 0.00 N ATOM 271 CA VAL A 21 5.538 -2.078 3.243 1.00 0.00 C ATOM 272 C VAL A 21 5.979 -0.669 2.862 1.00 0.00 C ATOM 273 O VAL A 21 5.680 0.296 3.564 1.00 0.00 O ATOM 274 CB VAL A 21 4.042 -2.242 2.916 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.823 -2.262 1.411 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.491 -3.505 3.560 1.00 0.00 C ATOM 0 H VAL A 21 5.363 -1.699 5.297 1.00 0.00 H new ATOM 0 HA VAL A 21 6.110 -2.804 2.665 1.00 0.00 H new ATOM 0 HB VAL A 21 3.503 -1.388 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.760 -2.379 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.178 -1.326 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.373 -3.095 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.433 -3.605 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.033 -4.372 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.612 -3.444 4.642 1.00 0.00 H new ATOM 286 N GLU A 22 6.692 -0.560 1.745 1.00 0.00 N ATOM 287 CA GLU A 22 7.174 0.732 1.271 1.00 0.00 C ATOM 288 C GLU A 22 6.055 1.515 0.591 1.00 0.00 C ATOM 289 O GLU A 22 5.509 1.085 -0.425 1.00 0.00 O ATOM 290 CB GLU A 22 8.341 0.540 0.299 1.00 0.00 C ATOM 291 CG GLU A 22 9.617 0.061 0.967 1.00 0.00 C ATOM 292 CD GLU A 22 10.484 -0.770 0.041 1.00 0.00 C ATOM 293 OE1 GLU A 22 11.148 -0.182 -0.838 1.00 0.00 O ATOM 294 OE2 GLU A 22 10.499 -2.009 0.196 1.00 0.00 O ATOM 0 H GLU A 22 6.948 -1.350 1.152 1.00 0.00 H new ATOM 0 HA GLU A 22 7.519 1.301 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.050 -0.179 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.539 1.484 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.186 0.923 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.362 -0.529 1.847 1.00 0.00 H new ATOM 301 N VAL A 23 5.716 2.668 1.161 1.00 0.00 N ATOM 302 CA VAL A 23 4.662 3.512 0.611 1.00 0.00 C ATOM 303 C VAL A 23 4.867 4.971 1.001 1.00 0.00 C ATOM 304 O VAL A 23 5.150 5.297 2.154 1.00 0.00 O ATOM 305 CB VAL A 23 3.271 3.055 1.088 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.192 3.985 0.556 1.00 0.00 C ATOM 307 CG2 VAL A 23 3.006 1.619 0.661 1.00 0.00 C ATOM 0 H VAL A 23 6.156 3.038 2.003 1.00 0.00 H new ATOM 0 HA VAL A 23 4.715 3.418 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 23 3.248 3.096 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.216 3.646 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.374 4.997 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.211 3.979 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.019 1.313 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.048 1.549 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.762 0.965 1.096 1.00 0.00 H new ATOM 317 N PRO A 24 4.721 5.873 0.018 1.00 0.00 N ATOM 318 CA PRO A 24 4.885 7.312 0.235 1.00 0.00 C ATOM 319 C PRO A 24 3.761 7.905 1.078 1.00 0.00 C ATOM 320 O PRO A 24 2.581 7.683 0.800 1.00 0.00 O ATOM 321 CB PRO A 24 4.852 7.890 -1.182 1.00 0.00 C ATOM 322 CG PRO A 24 4.075 6.899 -1.977 1.00 0.00 C ATOM 323 CD PRO A 24 4.385 5.554 -1.379 1.00 0.00 C ATOM 0 HA PRO A 24 5.800 7.539 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.377 8.871 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.858 8.017 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.007 7.111 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.359 6.933 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.532 4.879 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.215 5.068 -1.891 1.00 0.00 H new ATOM 331 N PHE A 25 4.132 8.657 2.108 1.00 0.00 N ATOM 332 CA PHE A 25 3.153 9.280 2.991 1.00 0.00 C ATOM 333 C PHE A 25 2.204 10.178 2.204 1.00 0.00 C ATOM 334 O PHE A 25 1.119 10.517 2.676 1.00 0.00 O ATOM 335 CB PHE A 25 3.861 10.094 4.077 1.00 0.00 C ATOM 336 CG PHE A 25 2.925 10.654 5.111 1.00 0.00 C ATOM 337 CD1 PHE A 25 2.593 9.916 6.235 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.381 11.919 4.959 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.733 10.429 7.188 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.520 12.437 5.907 1.00 0.00 C ATOM 341 CZ PHE A 25 1.196 11.691 7.024 1.00 0.00 C ATOM 0 H PHE A 25 5.103 8.850 2.352 1.00 0.00 H new ATOM 0 HA PHE A 25 2.569 8.489 3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.599 9.462 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.405 10.914 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.011 8.929 6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.633 12.507 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.481 9.844 8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.101 13.424 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.524 12.094 7.767 1.00 0.00 H new ATOM 351 N ASP A 26 2.620 10.560 1.002 1.00 0.00 N ATOM 352 CA ASP A 26 1.807 11.418 0.148 1.00 0.00 C ATOM 353 C ASP A 26 0.583 10.669 -0.367 1.00 0.00 C ATOM 354 O ASP A 26 -0.375 11.278 -0.846 1.00 0.00 O ATOM 355 CB ASP A 26 2.637 11.934 -1.030 1.00 0.00 C ATOM 356 CG ASP A 26 3.429 13.178 -0.678 1.00 0.00 C ATOM 357 OD1 ASP A 26 2.913 14.011 0.097 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.564 13.319 -1.178 1.00 0.00 O ATOM 0 H ASP A 26 3.516 10.289 0.597 1.00 0.00 H new ATOM 0 HA ASP A 26 1.468 12.266 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.321 11.152 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.976 12.153 -1.869 1.00 0.00 H new ATOM 363 N LEU A 27 0.619 9.344 -0.265 1.00 0.00 N ATOM 364 CA LEU A 27 -0.488 8.511 -0.721 1.00 0.00 C ATOM 365 C LEU A 27 -1.363 8.079 0.451 1.00 0.00 C ATOM 366 O LEU A 27 -2.570 7.887 0.301 1.00 0.00 O ATOM 367 CB LEU A 27 0.044 7.280 -1.457 1.00 0.00 C ATOM 368 CG LEU A 27 0.728 7.543 -2.799 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.305 6.255 -3.365 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.250 8.169 -3.783 1.00 0.00 C ATOM 0 H LEU A 27 1.403 8.824 0.129 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.097 9.101 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.753 6.770 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.787 6.594 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 27 1.547 8.244 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.788 6.461 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.038 5.848 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.503 5.531 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.254 8.349 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.090 7.493 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.615 9.114 -3.381 1.00 0.00 H new ATOM 382 N HIS A 28 -0.746 7.928 1.618 1.00 0.00 N ATOM 383 CA HIS A 28 -1.471 7.522 2.819 1.00 0.00 C ATOM 384 C HIS A 28 -2.841 8.189 2.878 1.00 0.00 C ATOM 385 O HIS A 28 -3.872 7.517 2.815 1.00 0.00 O ATOM 386 CB HIS A 28 -0.664 7.873 4.069 1.00 0.00 C ATOM 387 CG HIS A 28 0.596 7.076 4.214 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.492 7.265 5.244 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.106 6.081 3.450 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.500 6.422 5.109 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.290 5.692 4.029 1.00 0.00 N ATOM 0 H HIS A 28 0.253 8.080 1.759 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.615 6.442 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.412 8.933 4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.287 7.715 4.949 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.392 7.949 5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.665 5.670 2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.351 6.343 5.769 1.00 0.00 H new ATOM 399 N ARG A 29 -2.846 9.511 3.001 1.00 0.00 N ATOM 400 CA ARG A 29 -4.090 10.269 3.072 1.00 0.00 C ATOM 401 C ARG A 29 -5.124 9.705 2.102 1.00 0.00 C ATOM 402 O ARG A 29 -6.321 9.692 2.392 1.00 0.00 O ATOM 403 CB ARG A 29 -3.832 11.743 2.760 1.00 0.00 C ATOM 404 CG ARG A 29 -3.283 11.985 1.363 1.00 0.00 C ATOM 405 CD ARG A 29 -3.182 13.469 1.052 1.00 0.00 C ATOM 406 NE ARG A 29 -2.244 13.738 -0.035 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.875 14.961 -0.401 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.362 16.021 0.230 1.00 0.00 N ATOM 409 NH2 ARG A 29 -1.018 15.125 -1.400 1.00 0.00 N ATOM 0 H ARG A 29 -2.002 10.081 3.054 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.482 10.184 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.763 12.298 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.129 12.142 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.298 11.526 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.928 11.502 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.167 13.851 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.865 14.006 1.946 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.851 12.944 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.022 15.899 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.077 16.959 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.642 14.312 -1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.735 16.064 -1.680 1.00 0.00 H new ATOM 423 N TYR A 30 -4.654 9.241 0.949 1.00 0.00 N ATOM 424 CA TYR A 30 -5.539 8.679 -0.065 1.00 0.00 C ATOM 425 C TYR A 30 -5.888 7.230 0.258 1.00 0.00 C ATOM 426 O TYR A 30 -6.999 6.771 -0.011 1.00 0.00 O ATOM 427 CB TYR A 30 -4.885 8.762 -1.446 1.00 0.00 C ATOM 428 CG TYR A 30 -4.548 10.173 -1.873 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.462 11.206 -1.706 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.317 10.472 -2.443 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.159 12.497 -2.096 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.005 11.760 -2.835 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.930 12.768 -2.659 1.00 0.00 C ATOM 434 OH TYR A 30 -3.625 14.053 -3.047 1.00 0.00 O ATOM 0 H TYR A 30 -3.667 9.243 0.693 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.460 9.263 -0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.973 8.165 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.555 8.318 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.425 10.997 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.591 9.684 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.881 13.289 -1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.043 11.976 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.721 14.075 -3.424 1.00 0.00 H new ATOM 444 N VAL A 31 -4.932 6.513 0.839 1.00 0.00 N ATOM 445 CA VAL A 31 -5.136 5.116 1.203 1.00 0.00 C ATOM 446 C VAL A 31 -6.122 4.988 2.358 1.00 0.00 C ATOM 447 O VAL A 31 -7.082 4.220 2.286 1.00 0.00 O ATOM 448 CB VAL A 31 -3.810 4.437 1.595 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.040 2.974 1.939 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.789 4.577 0.476 1.00 0.00 C ATOM 0 H VAL A 31 -4.007 6.877 1.068 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.544 4.617 0.324 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.415 4.935 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.092 2.511 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.735 2.902 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.459 2.458 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.858 4.092 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.174 4.106 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.602 5.634 0.284 1.00 0.00 H new ATOM 460 N ILE A 32 -5.879 5.744 3.423 1.00 0.00 N ATOM 461 CA ILE A 32 -6.745 5.716 4.595 1.00 0.00 C ATOM 462 C ILE A 32 -8.162 6.153 4.239 1.00 0.00 C ATOM 463 O ILE A 32 -9.124 5.416 4.456 1.00 0.00 O ATOM 464 CB ILE A 32 -6.205 6.622 5.716 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.741 6.290 6.010 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.051 6.470 6.972 1.00 0.00 C ATOM 467 CD1 ILE A 32 -3.959 7.457 6.571 1.00 0.00 C ATOM 0 H ILE A 32 -5.089 6.384 3.498 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.763 4.686 4.951 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.263 7.659 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.699 5.461 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.262 5.950 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.657 7.117 7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.081 6.751 6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.021 5.433 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.930 7.150 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.970 8.280 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.414 7.784 7.506 1.00 0.00 H new ATOM 479 N GLY A 33 -8.285 7.359 3.691 1.00 0.00 N ATOM 480 CA GLY A 33 -9.587 7.874 3.313 1.00 0.00 C ATOM 481 C GLY A 33 -10.077 8.956 4.253 1.00 0.00 C ATOM 482 O GLY A 33 -9.435 9.250 5.260 1.00 0.00 O ATOM 0 H GLY A 33 -7.505 7.988 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.536 8.273 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.307 7.056 3.298 1.00 0.00 H new ATOM 486 N GLN A 34 -11.219 9.552 3.923 1.00 0.00 N ATOM 487 CA GLN A 34 -11.794 10.610 4.745 1.00 0.00 C ATOM 488 C GLN A 34 -11.682 10.270 6.228 1.00 0.00 C ATOM 489 O GLN A 34 -11.286 11.106 7.040 1.00 0.00 O ATOM 490 CB GLN A 34 -13.259 10.837 4.371 1.00 0.00 C ATOM 491 CG GLN A 34 -14.203 9.794 4.946 1.00 0.00 C ATOM 492 CD GLN A 34 -15.646 10.031 4.549 1.00 0.00 C ATOM 493 OE1 GLN A 34 -16.097 9.577 3.497 1.00 0.00 O ATOM 494 NE2 GLN A 34 -16.382 10.745 5.393 1.00 0.00 N ATOM 0 H GLN A 34 -11.764 9.320 3.092 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.233 11.526 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.565 11.823 4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.352 10.839 3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.895 8.805 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.124 9.798 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.968 11.102 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.361 10.936 5.180 1.00 0.00 H new ATOM 503 N LYS A 35 -12.034 9.036 6.574 1.00 0.00 N ATOM 504 CA LYS A 35 -11.974 8.584 7.958 1.00 0.00 C ATOM 505 C LYS A 35 -11.126 7.321 8.081 1.00 0.00 C ATOM 506 O LYS A 35 -10.275 7.217 8.963 1.00 0.00 O ATOM 507 CB LYS A 35 -13.383 8.318 8.492 1.00 0.00 C ATOM 508 CG LYS A 35 -13.510 8.506 9.994 1.00 0.00 C ATOM 509 CD LYS A 35 -13.887 9.935 10.348 1.00 0.00 C ATOM 510 CE LYS A 35 -13.746 10.197 11.839 1.00 0.00 C ATOM 511 NZ LYS A 35 -14.619 11.315 12.291 1.00 0.00 N ATOM 0 H LYS A 35 -12.364 8.331 5.914 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.511 9.372 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.084 8.985 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.673 7.299 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.264 7.823 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.566 8.248 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.252 10.627 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.914 10.128 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.999 9.292 12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.707 10.432 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.494 11.462 13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.361 12.184 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.613 11.081 12.094 1.00 0.00 H new ATOM 525 N GLY A 36 -11.365 6.364 7.189 1.00 0.00 N ATOM 526 CA GLY A 36 -10.615 5.121 7.214 1.00 0.00 C ATOM 527 C GLY A 36 -11.410 3.953 6.669 1.00 0.00 C ATOM 528 O GLY A 36 -11.346 2.846 7.203 1.00 0.00 O ATOM 0 H GLY A 36 -12.065 6.427 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.702 5.239 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.312 4.904 8.238 1.00 0.00 H new ATOM 532 N SER A 37 -12.164 4.198 5.602 1.00 0.00 N ATOM 533 CA SER A 37 -12.980 3.158 4.986 1.00 0.00 C ATOM 534 C SER A 37 -12.183 2.397 3.931 1.00 0.00 C ATOM 535 O SER A 37 -12.061 1.173 3.991 1.00 0.00 O ATOM 536 CB SER A 37 -14.231 3.770 4.355 1.00 0.00 C ATOM 537 OG SER A 37 -13.901 4.878 3.536 1.00 0.00 O ATOM 0 H SER A 37 -12.227 5.108 5.146 1.00 0.00 H new ATOM 0 HA SER A 37 -13.281 2.457 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 37 -14.748 3.016 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 37 -14.920 4.086 5.139 1.00 0.00 H new ATOM 0 HG SER A 37 -14.718 5.250 3.143 1.00 0.00 H new ATOM 543 N GLY A 38 -11.643 3.130 2.962 1.00 0.00 N ATOM 544 CA GLY A 38 -10.866 2.509 1.906 1.00 0.00 C ATOM 545 C GLY A 38 -10.062 1.321 2.400 1.00 0.00 C ATOM 546 O GLY A 38 -10.055 0.264 1.770 1.00 0.00 O ATOM 0 H GLY A 38 -11.730 4.144 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.535 2.185 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.190 3.247 1.474 1.00 0.00 H new ATOM 550 N ILE A 39 -9.384 1.497 3.530 1.00 0.00 N ATOM 551 CA ILE A 39 -8.574 0.431 4.106 1.00 0.00 C ATOM 552 C ILE A 39 -9.450 -0.640 4.747 1.00 0.00 C ATOM 553 O ILE A 39 -9.128 -1.828 4.703 1.00 0.00 O ATOM 554 CB ILE A 39 -7.595 0.978 5.161 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.517 1.835 4.494 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.962 -0.167 5.939 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.455 2.326 5.453 1.00 0.00 C ATOM 0 H ILE A 39 -9.380 2.366 4.064 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.005 -0.011 3.288 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.150 1.605 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.041 1.255 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.990 2.694 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.272 0.235 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.741 -0.741 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.418 -0.816 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.725 2.926 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.919 2.934 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.955 1.472 5.910 1.00 0.00 H new ATOM 569 N ARG A 40 -10.558 -0.212 5.342 1.00 0.00 N ATOM 570 CA ARG A 40 -11.482 -1.135 5.991 1.00 0.00 C ATOM 571 C ARG A 40 -11.851 -2.283 5.057 1.00 0.00 C ATOM 572 O ARG A 40 -12.051 -3.416 5.496 1.00 0.00 O ATOM 573 CB ARG A 40 -12.747 -0.397 6.434 1.00 0.00 C ATOM 574 CG ARG A 40 -13.515 -1.111 7.534 1.00 0.00 C ATOM 575 CD ARG A 40 -13.030 -0.696 8.914 1.00 0.00 C ATOM 576 NE ARG A 40 -13.720 -1.419 9.978 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.997 -1.225 10.289 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.718 -0.335 9.620 1.00 0.00 N ATOM 579 NH2 ARG A 40 -15.555 -1.921 11.270 1.00 0.00 N ATOM 0 H ARG A 40 -10.838 0.768 5.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.985 -1.549 6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.473 0.599 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.401 -0.265 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.578 -0.889 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.402 -2.189 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.958 -0.876 8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.184 0.375 9.045 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.193 -2.111 10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.292 0.202 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.698 -0.188 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.004 -2.606 11.787 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.535 -1.771 11.508 1.00 0.00 H new ATOM 593 N LYS A 41 -11.940 -1.983 3.766 1.00 0.00 N ATOM 594 CA LYS A 41 -12.284 -2.989 2.768 1.00 0.00 C ATOM 595 C LYS A 41 -11.254 -4.113 2.751 1.00 0.00 C ATOM 596 O LYS A 41 -11.595 -5.277 2.544 1.00 0.00 O ATOM 597 CB LYS A 41 -12.379 -2.350 1.381 1.00 0.00 C ATOM 598 CG LYS A 41 -12.612 -3.352 0.264 1.00 0.00 C ATOM 599 CD LYS A 41 -12.261 -2.766 -1.094 1.00 0.00 C ATOM 600 CE LYS A 41 -10.791 -2.970 -1.425 1.00 0.00 C ATOM 601 NZ LYS A 41 -10.445 -2.429 -2.769 1.00 0.00 N ATOM 0 H LYS A 41 -11.779 -1.050 3.386 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.253 -3.411 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.191 -1.623 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.459 -1.801 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.011 -4.244 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.656 -3.665 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.877 -3.233 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.493 -1.701 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.177 -2.482 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.555 -4.034 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.435 -2.587 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.012 -2.912 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.646 -1.409 -2.795 1.00 0.00 H new ATOM 615 N MET A 42 -9.993 -3.758 2.974 1.00 0.00 N ATOM 616 CA MET A 42 -8.914 -4.739 2.987 1.00 0.00 C ATOM 617 C MET A 42 -8.935 -5.553 4.277 1.00 0.00 C ATOM 618 O MET A 42 -9.111 -6.770 4.250 1.00 0.00 O ATOM 619 CB MET A 42 -7.560 -4.043 2.832 1.00 0.00 C ATOM 620 CG MET A 42 -7.529 -3.020 1.707 1.00 0.00 C ATOM 621 SD MET A 42 -6.124 -1.896 1.830 1.00 0.00 S ATOM 622 CE MET A 42 -4.837 -2.876 1.062 1.00 0.00 C ATOM 0 H MET A 42 -9.693 -2.799 3.148 1.00 0.00 H new ATOM 0 HA MET A 42 -9.064 -5.417 2.147 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.305 -3.548 3.769 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.792 -4.795 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.491 -3.539 0.750 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.454 -2.443 1.720 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.015 -3.012 1.765 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.239 -3.849 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.472 -2.364 0.172 1.00 0.00 H new ATOM 632 N MET A 43 -8.753 -4.872 5.404 1.00 0.00 N ATOM 633 CA MET A 43 -8.753 -5.534 6.704 1.00 0.00 C ATOM 634 C MET A 43 -9.910 -6.522 6.812 1.00 0.00 C ATOM 635 O MET A 43 -9.820 -7.522 7.524 1.00 0.00 O ATOM 636 CB MET A 43 -8.845 -4.498 7.827 1.00 0.00 C ATOM 637 CG MET A 43 -7.585 -3.663 7.987 1.00 0.00 C ATOM 638 SD MET A 43 -7.454 -2.911 9.620 1.00 0.00 S ATOM 639 CE MET A 43 -8.623 -1.562 9.469 1.00 0.00 C ATOM 0 H MET A 43 -8.604 -3.864 5.443 1.00 0.00 H new ATOM 0 HA MET A 43 -7.818 -6.085 6.803 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.688 -3.835 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.054 -5.010 8.766 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.712 -4.291 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.574 -2.880 7.229 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.132 -0.624 9.729 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.987 -1.509 8.443 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.462 -1.731 10.144 1.00 0.00 H new ATOM 649 N ASP A 44 -10.995 -6.235 6.102 1.00 0.00 N ATOM 650 CA ASP A 44 -12.170 -7.099 6.117 1.00 0.00 C ATOM 651 C ASP A 44 -12.066 -8.176 5.042 1.00 0.00 C ATOM 652 O ASP A 44 -12.533 -9.299 5.230 1.00 0.00 O ATOM 653 CB ASP A 44 -13.440 -6.273 5.908 1.00 0.00 C ATOM 654 CG ASP A 44 -14.011 -5.748 7.211 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.221 -5.490 8.143 1.00 0.00 O ATOM 656 OD2 ASP A 44 -15.247 -5.595 7.298 1.00 0.00 O ATOM 0 H ASP A 44 -11.086 -5.410 5.508 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.220 -7.586 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.220 -5.434 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.190 -6.885 5.407 1.00 0.00 H new ATOM 661 N GLU A 45 -11.452 -7.826 3.917 1.00 0.00 N ATOM 662 CA GLU A 45 -11.289 -8.764 2.812 1.00 0.00 C ATOM 663 C GLU A 45 -10.105 -9.694 3.058 1.00 0.00 C ATOM 664 O GLU A 45 -10.268 -10.910 3.163 1.00 0.00 O ATOM 665 CB GLU A 45 -11.092 -8.007 1.497 1.00 0.00 C ATOM 666 CG GLU A 45 -10.881 -8.915 0.298 1.00 0.00 C ATOM 667 CD GLU A 45 -12.185 -9.411 -0.296 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.958 -10.065 0.435 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.433 -9.145 -1.491 1.00 0.00 O ATOM 0 H GLU A 45 -11.059 -6.900 3.746 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.194 -9.367 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.963 -7.377 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.233 -7.343 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.320 -8.377 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.274 -9.770 0.597 1.00 0.00 H new ATOM 676 N PHE A 46 -8.913 -9.113 3.148 1.00 0.00 N ATOM 677 CA PHE A 46 -7.700 -9.891 3.380 1.00 0.00 C ATOM 678 C PHE A 46 -7.639 -10.384 4.823 1.00 0.00 C ATOM 679 O PHE A 46 -6.749 -11.152 5.188 1.00 0.00 O ATOM 680 CB PHE A 46 -6.462 -9.049 3.064 1.00 0.00 C ATOM 681 CG PHE A 46 -6.349 -8.670 1.614 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.848 -9.569 0.687 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.744 -7.415 1.180 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.744 -9.225 -0.648 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.642 -7.065 -0.153 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.140 -7.969 -1.068 1.00 0.00 C ATOM 0 H PHE A 46 -8.761 -8.108 3.064 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.720 -10.757 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.486 -8.142 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.571 -9.604 3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.535 -10.551 1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.136 -6.703 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.354 -9.936 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.955 -6.084 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.057 -7.695 -2.109 1.00 0.00 H new ATOM 696 N GLU A 47 -8.589 -9.936 5.637 1.00 0.00 N ATOM 697 CA GLU A 47 -8.641 -10.331 7.039 1.00 0.00 C ATOM 698 C GLU A 47 -7.317 -10.036 7.737 1.00 0.00 C ATOM 699 O GLU A 47 -6.717 -10.918 8.353 1.00 0.00 O ATOM 700 CB GLU A 47 -8.975 -11.819 7.161 1.00 0.00 C ATOM 701 CG GLU A 47 -10.272 -12.210 6.472 1.00 0.00 C ATOM 702 CD GLU A 47 -10.299 -13.670 6.065 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.299 -14.144 5.487 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.321 -14.340 6.324 1.00 0.00 O ATOM 0 H GLU A 47 -9.333 -9.300 5.350 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.425 -9.750 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.158 -12.402 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.040 -12.083 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.109 -12.007 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.411 -11.588 5.588 1.00 0.00 H new ATOM 711 N VAL A 48 -6.866 -8.790 7.636 1.00 0.00 N ATOM 712 CA VAL A 48 -5.613 -8.379 8.258 1.00 0.00 C ATOM 713 C VAL A 48 -5.760 -7.027 8.948 1.00 0.00 C ATOM 714 O VAL A 48 -6.840 -6.439 8.961 1.00 0.00 O ATOM 715 CB VAL A 48 -4.474 -8.294 7.224 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.869 -9.667 6.982 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.982 -7.689 5.922 1.00 0.00 C ATOM 0 H VAL A 48 -7.349 -8.048 7.130 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.364 -9.138 9.000 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.694 -7.645 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.066 -9.587 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.469 -10.058 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.638 -10.342 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.165 -7.636 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.781 -8.311 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.364 -6.686 6.112 1.00 0.00 H new ATOM 727 N ASN A 49 -4.664 -6.540 9.521 1.00 0.00 N ATOM 728 CA ASN A 49 -4.671 -5.256 10.214 1.00 0.00 C ATOM 729 C ASN A 49 -3.583 -4.336 9.665 1.00 0.00 C ATOM 730 O ASN A 49 -2.395 -4.646 9.749 1.00 0.00 O ATOM 731 CB ASN A 49 -4.469 -5.462 11.716 1.00 0.00 C ATOM 732 CG ASN A 49 -4.249 -4.156 12.455 1.00 0.00 C ATOM 733 OD1 ASN A 49 -4.912 -3.156 12.181 1.00 0.00 O ATOM 734 ND2 ASN A 49 -3.313 -4.161 13.397 1.00 0.00 N ATOM 0 H ASN A 49 -3.761 -7.014 9.519 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.640 -4.786 10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.340 -5.969 12.131 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.613 -6.117 11.878 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.119 -3.312 13.928 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.788 -5.014 13.590 1.00 0.00 H new ATOM 741 N ILE A 50 -4.000 -3.205 9.105 1.00 0.00 N ATOM 742 CA ILE A 50 -3.062 -2.240 8.545 1.00 0.00 C ATOM 743 C ILE A 50 -2.942 -1.009 9.437 1.00 0.00 C ATOM 744 O ILE A 50 -3.946 -0.426 9.846 1.00 0.00 O ATOM 745 CB ILE A 50 -3.486 -1.798 7.132 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.482 -2.993 6.177 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.564 -0.701 6.621 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.192 -2.724 4.869 1.00 0.00 C ATOM 0 H ILE A 50 -4.980 -2.935 9.027 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.094 -2.738 8.486 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.500 -1.400 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.451 -3.278 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.955 -3.843 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.877 -0.399 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.613 0.157 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.540 -1.074 6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.149 -3.615 4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.233 -2.468 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.706 -1.895 4.355 1.00 0.00 H new ATOM 760 N HIS A 51 -1.707 -0.618 9.733 1.00 0.00 N ATOM 761 CA HIS A 51 -1.455 0.546 10.575 1.00 0.00 C ATOM 762 C HIS A 51 -0.571 1.559 9.852 1.00 0.00 C ATOM 763 O HIS A 51 0.514 1.223 9.377 1.00 0.00 O ATOM 764 CB HIS A 51 -0.795 0.121 11.886 1.00 0.00 C ATOM 765 CG HIS A 51 -1.774 -0.194 12.974 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.433 -0.218 14.310 1.00 0.00 N ATOM 767 CD2 HIS A 51 -3.092 -0.498 12.920 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.498 -0.525 15.029 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.518 -0.700 14.209 1.00 0.00 N ATOM 0 H HIS A 51 -0.865 -1.090 9.403 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.413 1.017 10.795 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.173 -0.755 11.703 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.132 0.917 12.224 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.696 -0.569 12.028 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.529 -0.617 16.105 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.468 -0.945 14.488 1.00 0.00 H new ATOM 777 N VAL A 52 -1.044 2.798 9.771 1.00 0.00 N ATOM 778 CA VAL A 52 -0.297 3.860 9.105 1.00 0.00 C ATOM 779 C VAL A 52 0.379 4.774 10.120 1.00 0.00 C ATOM 780 O VAL A 52 -0.194 5.132 11.149 1.00 0.00 O ATOM 781 CB VAL A 52 -1.210 4.705 8.197 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.431 5.855 7.579 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.840 3.836 7.118 1.00 0.00 C ATOM 0 H VAL A 52 -1.941 3.092 10.158 1.00 0.00 H new ATOM 0 HA VAL A 52 0.463 3.376 8.492 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.010 5.125 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.092 6.441 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.032 6.491 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.391 5.459 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.482 4.449 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.056 3.385 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.434 3.050 7.585 1.00 0.00 H new ATOM 793 N PRO A 53 1.628 5.163 9.825 1.00 0.00 N ATOM 794 CA PRO A 53 2.411 6.043 10.699 1.00 0.00 C ATOM 795 C PRO A 53 1.868 7.467 10.723 1.00 0.00 C ATOM 796 O PRO A 53 1.489 8.015 9.688 1.00 0.00 O ATOM 797 CB PRO A 53 3.808 6.013 10.074 1.00 0.00 C ATOM 798 CG PRO A 53 3.573 5.680 8.640 1.00 0.00 C ATOM 799 CD PRO A 53 2.374 4.775 8.616 1.00 0.00 C ATOM 0 HA PRO A 53 2.387 5.712 11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.310 6.975 10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.441 5.268 10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.393 6.582 8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.443 5.187 8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.780 4.920 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.663 3.724 8.642 1.00 0.00 H new ATOM 807 N ALA A 54 1.834 8.063 11.911 1.00 0.00 N ATOM 808 CA ALA A 54 1.340 9.425 12.069 1.00 0.00 C ATOM 809 C ALA A 54 2.128 10.399 11.200 1.00 0.00 C ATOM 810 O ALA A 54 3.219 10.094 10.716 1.00 0.00 O ATOM 811 CB ALA A 54 1.406 9.845 13.529 1.00 0.00 C ATOM 0 H ALA A 54 2.143 7.623 12.778 1.00 0.00 H new ATOM 0 HA ALA A 54 0.300 9.448 11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.034 10.864 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.793 9.173 14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.439 9.799 13.874 1.00 0.00 H new ATOM 817 N PRO A 55 1.565 11.599 10.994 1.00 0.00 N ATOM 818 CA PRO A 55 2.199 12.642 10.182 1.00 0.00 C ATOM 819 C PRO A 55 3.436 13.228 10.854 1.00 0.00 C ATOM 820 O PRO A 55 4.380 13.643 10.182 1.00 0.00 O ATOM 821 CB PRO A 55 1.106 13.706 10.054 1.00 0.00 C ATOM 822 CG PRO A 55 0.241 13.506 11.251 1.00 0.00 C ATOM 823 CD PRO A 55 0.267 12.030 11.540 1.00 0.00 C ATOM 0 HA PRO A 55 2.551 12.256 9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.531 14.710 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.539 13.583 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.614 14.077 12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.776 13.848 11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.194 11.828 12.609 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.563 11.512 11.060 1.00 0.00 H new ATOM 831 N GLU A 56 3.424 13.258 12.183 1.00 0.00 N ATOM 832 CA GLU A 56 4.546 13.794 12.944 1.00 0.00 C ATOM 833 C GLU A 56 5.761 12.878 12.840 1.00 0.00 C ATOM 834 O GLU A 56 6.867 13.245 13.243 1.00 0.00 O ATOM 835 CB GLU A 56 4.155 13.975 14.413 1.00 0.00 C ATOM 836 CG GLU A 56 3.625 12.707 15.061 1.00 0.00 C ATOM 837 CD GLU A 56 3.875 12.669 16.557 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.858 13.290 17.010 1.00 0.00 O ATOM 839 OE2 GLU A 56 3.087 12.017 17.273 1.00 0.00 O ATOM 0 H GLU A 56 2.650 12.918 12.754 1.00 0.00 H new ATOM 0 HA GLU A 56 4.807 14.765 12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.024 14.323 14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.397 14.755 14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.554 12.627 14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.096 11.841 14.595 1.00 0.00 H new ATOM 846 N LEU A 57 5.551 11.685 12.295 1.00 0.00 N ATOM 847 CA LEU A 57 6.629 10.714 12.136 1.00 0.00 C ATOM 848 C LEU A 57 7.260 10.823 10.752 1.00 0.00 C ATOM 849 O LEU A 57 8.448 10.555 10.579 1.00 0.00 O ATOM 850 CB LEU A 57 6.102 9.296 12.359 1.00 0.00 C ATOM 851 CG LEU A 57 5.538 9.000 13.750 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.775 7.684 13.747 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.654 8.969 14.782 1.00 0.00 C ATOM 0 H LEU A 57 4.644 11.366 11.955 1.00 0.00 H new ATOM 0 HA LEU A 57 7.394 10.932 12.882 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.322 9.100 11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.911 8.594 12.160 1.00 0.00 H new ATOM 0 HG LEU A 57 4.845 9.798 14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.381 7.490 14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.951 7.743 13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.446 6.875 13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.234 8.757 15.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.372 8.192 14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.157 9.936 14.803 1.00 0.00 H new ATOM 865 N GLN A 58 6.457 11.221 9.771 1.00 0.00 N ATOM 866 CA GLN A 58 6.939 11.366 8.402 1.00 0.00 C ATOM 867 C GLN A 58 7.525 10.055 7.889 1.00 0.00 C ATOM 868 O GLN A 58 8.502 10.052 7.139 1.00 0.00 O ATOM 869 CB GLN A 58 7.990 12.474 8.324 1.00 0.00 C ATOM 870 CG GLN A 58 7.439 13.858 8.625 1.00 0.00 C ATOM 871 CD GLN A 58 8.464 14.955 8.408 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.452 15.050 9.137 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.234 15.789 7.402 1.00 0.00 N ATOM 0 H GLN A 58 5.471 11.449 9.898 1.00 0.00 H new ATOM 0 HA GLN A 58 6.091 11.634 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.793 12.251 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.430 12.476 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.572 14.045 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.092 13.890 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.402 15.673 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.889 16.546 7.207 1.00 0.00 H new ATOM 882 N SER A 59 6.922 8.944 8.297 1.00 0.00 N ATOM 883 CA SER A 59 7.387 7.625 7.881 1.00 0.00 C ATOM 884 C SER A 59 6.610 7.133 6.664 1.00 0.00 C ATOM 885 O SER A 59 5.400 7.339 6.561 1.00 0.00 O ATOM 886 CB SER A 59 7.243 6.625 9.031 1.00 0.00 C ATOM 887 OG SER A 59 8.162 5.555 8.893 1.00 0.00 O ATOM 0 H SER A 59 6.111 8.930 8.915 1.00 0.00 H new ATOM 0 HA SER A 59 8.439 7.707 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.410 7.132 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.226 6.235 9.053 1.00 0.00 H new ATOM 0 HG SER A 59 8.052 4.931 9.640 1.00 0.00 H new ATOM 893 N ASP A 60 7.314 6.483 5.744 1.00 0.00 N ATOM 894 CA ASP A 60 6.691 5.959 4.534 1.00 0.00 C ATOM 895 C ASP A 60 6.611 4.437 4.578 1.00 0.00 C ATOM 896 O ASP A 60 6.380 3.789 3.557 1.00 0.00 O ATOM 897 CB ASP A 60 7.474 6.406 3.298 1.00 0.00 C ATOM 898 CG ASP A 60 8.951 6.597 3.586 1.00 0.00 C ATOM 899 OD1 ASP A 60 9.708 5.610 3.477 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.349 7.732 3.920 1.00 0.00 O ATOM 0 H ASP A 60 8.316 6.306 5.813 1.00 0.00 H new ATOM 0 HA ASP A 60 5.677 6.355 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.354 5.665 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.056 7.341 2.925 1.00 0.00 H new ATOM 905 N ILE A 61 6.805 3.874 5.765 1.00 0.00 N ATOM 906 CA ILE A 61 6.755 2.427 5.942 1.00 0.00 C ATOM 907 C ILE A 61 5.515 2.012 6.726 1.00 0.00 C ATOM 908 O ILE A 61 5.442 2.207 7.940 1.00 0.00 O ATOM 909 CB ILE A 61 8.008 1.905 6.669 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.248 2.674 6.210 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.182 0.414 6.422 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.664 2.359 4.790 1.00 0.00 C ATOM 0 H ILE A 61 6.998 4.397 6.619 1.00 0.00 H new ATOM 0 HA ILE A 61 6.715 1.988 4.945 1.00 0.00 H new ATOM 0 HB ILE A 61 7.880 2.063 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.054 3.743 6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.076 2.446 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.072 0.060 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.308 -0.121 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.291 0.233 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.550 2.940 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.890 1.296 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.853 2.613 4.108 1.00 0.00 H new ATOM 924 N ILE A 62 4.544 1.437 6.025 1.00 0.00 N ATOM 925 CA ILE A 62 3.308 0.991 6.657 1.00 0.00 C ATOM 926 C ILE A 62 3.478 -0.389 7.284 1.00 0.00 C ATOM 927 O ILE A 62 4.101 -1.275 6.700 1.00 0.00 O ATOM 928 CB ILE A 62 2.146 0.944 5.648 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.666 2.360 5.323 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.002 0.104 6.197 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.678 2.415 4.179 1.00 0.00 C ATOM 0 H ILE A 62 4.589 1.269 5.020 1.00 0.00 H new ATOM 0 HA ILE A 62 3.073 1.715 7.437 1.00 0.00 H new ATOM 0 HB ILE A 62 2.502 0.481 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.205 2.792 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.528 2.980 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.188 0.080 5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.353 -0.911 6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.645 0.541 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.381 3.449 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.142 2.013 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.202 1.822 4.429 1.00 0.00 H new ATOM 943 N ALA A 63 2.920 -0.563 8.477 1.00 0.00 N ATOM 944 CA ALA A 63 3.006 -1.836 9.183 1.00 0.00 C ATOM 945 C ALA A 63 1.709 -2.626 9.050 1.00 0.00 C ATOM 946 O ALA A 63 0.625 -2.107 9.322 1.00 0.00 O ATOM 947 CB ALA A 63 3.339 -1.605 10.650 1.00 0.00 C ATOM 0 H ALA A 63 2.403 0.162 8.975 1.00 0.00 H new ATOM 0 HA ALA A 63 3.805 -2.422 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.400 -2.564 11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.296 -1.089 10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.560 -0.996 11.108 1.00 0.00 H new ATOM 953 N ILE A 64 1.825 -3.882 8.632 1.00 0.00 N ATOM 954 CA ILE A 64 0.661 -4.742 8.464 1.00 0.00 C ATOM 955 C ILE A 64 0.773 -5.993 9.330 1.00 0.00 C ATOM 956 O ILE A 64 1.712 -6.777 9.190 1.00 0.00 O ATOM 957 CB ILE A 64 0.479 -5.163 6.994 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.622 -3.950 6.073 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.876 -5.828 6.797 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.554 -4.298 4.602 1.00 0.00 C ATOM 0 H ILE A 64 2.714 -4.327 8.403 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.208 -4.163 8.777 1.00 0.00 H new ATOM 0 HB ILE A 64 1.256 -5.884 6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.165 -3.233 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.573 -3.458 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.990 -6.120 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.943 -6.713 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.667 -5.128 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.662 -3.391 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.358 -4.992 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.407 -4.763 4.382 1.00 0.00 H new ATOM 972 N THR A 65 -0.193 -6.175 10.225 1.00 0.00 N ATOM 973 CA THR A 65 -0.204 -7.331 11.112 1.00 0.00 C ATOM 974 C THR A 65 -1.147 -8.412 10.596 1.00 0.00 C ATOM 975 O THR A 65 -2.232 -8.117 10.099 1.00 0.00 O ATOM 976 CB THR A 65 -0.626 -6.938 12.540 1.00 0.00 C ATOM 977 OG1 THR A 65 0.181 -5.851 13.008 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.491 -8.119 13.490 1.00 0.00 C ATOM 0 H THR A 65 -0.978 -5.536 10.354 1.00 0.00 H new ATOM 0 HA THR A 65 0.813 -7.721 11.135 1.00 0.00 H new ATOM 0 HB THR A 65 -1.671 -6.630 12.513 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.089 -6.172 13.189 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.795 -7.816 14.492 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.128 -8.935 13.149 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.546 -8.453 13.511 1.00 0.00 H new ATOM 986 N GLY A 66 -0.724 -9.667 10.718 1.00 0.00 N ATOM 987 CA GLY A 66 -1.543 -10.774 10.259 1.00 0.00 C ATOM 988 C GLY A 66 -0.722 -12.004 9.928 1.00 0.00 C ATOM 989 O GLY A 66 0.508 -11.971 9.976 1.00 0.00 O ATOM 0 H GLY A 66 0.171 -9.937 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.274 -11.025 11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.103 -10.466 9.376 1.00 0.00 H new ATOM 993 N LEU A 67 -1.403 -13.095 9.592 1.00 0.00 N ATOM 994 CA LEU A 67 -0.729 -14.343 9.253 1.00 0.00 C ATOM 995 C LEU A 67 0.089 -14.191 7.975 1.00 0.00 C ATOM 996 O LEU A 67 -0.378 -13.619 6.991 1.00 0.00 O ATOM 997 CB LEU A 67 -1.752 -15.468 9.086 1.00 0.00 C ATOM 998 CG LEU A 67 -2.448 -15.938 10.364 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.560 -16.923 10.036 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.442 -16.565 11.319 1.00 0.00 C ATOM 0 H LEU A 67 -2.421 -13.140 9.547 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.051 -14.594 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.515 -15.136 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.251 -16.324 8.634 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.892 -15.071 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.043 -17.246 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.294 -16.441 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.140 -17.789 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.955 -16.894 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.969 -17.421 10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.681 -15.830 11.580 1.00 0.00 H new ATOM 1012 N ALA A 68 1.313 -14.709 7.998 1.00 0.00 N ATOM 1013 CA ALA A 68 2.196 -14.634 6.840 1.00 0.00 C ATOM 1014 C ALA A 68 1.423 -14.866 5.546 1.00 0.00 C ATOM 1015 O ALA A 68 1.739 -14.279 4.510 1.00 0.00 O ATOM 1016 CB ALA A 68 3.325 -15.646 6.971 1.00 0.00 C ATOM 0 H ALA A 68 1.715 -15.185 8.805 1.00 0.00 H new ATOM 0 HA ALA A 68 2.623 -13.632 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.977 -15.579 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.901 -15.434 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.907 -16.651 7.035 1.00 0.00 H new ATOM 1022 N ALA A 69 0.410 -15.723 5.612 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.408 -16.031 4.444 1.00 0.00 C ATOM 1024 C ALA A 69 -1.244 -14.825 4.028 1.00 0.00 C ATOM 1025 O ALA A 69 -1.334 -14.500 2.844 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.307 -17.224 4.729 1.00 0.00 C ATOM 0 H ALA A 69 0.136 -16.217 6.461 1.00 0.00 H new ATOM 0 HA ALA A 69 0.259 -16.282 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.912 -17.442 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.694 -18.092 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.961 -16.994 5.570 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.854 -14.166 5.007 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.684 -12.997 4.741 1.00 0.00 C ATOM 1034 C ASN A 70 -1.824 -11.794 4.364 1.00 0.00 C ATOM 1035 O ASN A 70 -2.196 -10.996 3.502 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.539 -12.663 5.964 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.114 -13.902 6.623 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -3.826 -15.027 6.214 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.932 -13.701 7.650 1.00 0.00 N ATOM 0 H ASN A 70 -1.789 -14.422 5.992 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.339 -13.231 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.935 -12.117 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.353 -12.003 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.349 -14.497 8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.143 -12.751 7.955 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.673 -11.670 5.014 1.00 0.00 N ATOM 1047 CA LEU A 71 0.242 -10.566 4.748 1.00 0.00 C ATOM 1048 C LEU A 71 0.671 -10.555 3.284 1.00 0.00 C ATOM 1049 O LEU A 71 0.881 -9.495 2.696 1.00 0.00 O ATOM 1050 CB LEU A 71 1.471 -10.666 5.652 1.00 0.00 C ATOM 1051 CG LEU A 71 1.193 -10.851 7.144 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.433 -11.371 7.857 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.727 -9.545 7.768 1.00 0.00 C ATOM 0 H LEU A 71 -0.351 -12.321 5.730 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.281 -9.634 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.082 -11.502 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.067 -9.762 5.523 1.00 0.00 H new ATOM 0 HG LEU A 71 0.397 -11.587 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.217 -11.497 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.723 -12.331 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.249 -10.658 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.534 -9.698 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.500 -8.787 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.188 -9.213 7.277 1.00 0.00 H new ATOM 1065 N ASP A 72 0.800 -11.742 2.703 1.00 0.00 N ATOM 1066 CA ASP A 72 1.203 -11.871 1.307 1.00 0.00 C ATOM 1067 C ASP A 72 0.134 -11.302 0.379 1.00 0.00 C ATOM 1068 O ASP A 72 0.399 -10.391 -0.404 1.00 0.00 O ATOM 1069 CB ASP A 72 1.467 -13.337 0.963 1.00 0.00 C ATOM 1070 CG ASP A 72 2.908 -13.739 1.206 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.362 -13.651 2.366 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.584 -14.141 0.235 1.00 0.00 O ATOM 0 H ASP A 72 0.631 -12.629 3.177 1.00 0.00 H new ATOM 0 HA ASP A 72 2.122 -11.302 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.811 -13.971 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.215 -13.513 -0.083 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.075 -11.847 0.473 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.184 -11.397 -0.359 1.00 0.00 C ATOM 1079 C ARG A 73 -2.433 -9.903 -0.170 1.00 0.00 C ATOM 1080 O ARG A 73 -2.641 -9.171 -1.136 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.453 -12.184 -0.027 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.730 -12.288 1.464 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.056 -12.981 1.736 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.983 -14.419 1.486 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.147 -14.965 0.287 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -5.391 -14.198 -0.767 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.066 -16.281 0.139 1.00 0.00 N ATOM 0 H ARG A 73 -1.311 -12.601 1.118 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.919 -11.575 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.304 -11.708 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.368 -13.188 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.924 -12.840 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.742 -11.291 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.350 -12.807 2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.830 -12.542 1.107 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.796 -15.037 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.453 -13.186 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.517 -14.620 -1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.878 -16.874 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.192 -16.699 -0.783 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.411 -9.459 1.083 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.634 -8.054 1.399 1.00 0.00 C ATOM 1103 C ALA A 74 -1.514 -7.182 0.843 1.00 0.00 C ATOM 1104 O ALA A 74 -1.758 -6.265 0.058 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.755 -7.865 2.904 1.00 0.00 C ATOM 0 H ALA A 74 -2.241 -10.052 1.895 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.567 -7.745 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.921 -6.811 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.594 -8.451 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.836 -8.197 3.387 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.284 -7.472 1.253 1.00 0.00 N ATOM 1112 CA LYS A 75 0.875 -6.716 0.796 1.00 0.00 C ATOM 1113 C LYS A 75 0.883 -6.600 -0.725 1.00 0.00 C ATOM 1114 O LYS A 75 1.278 -5.573 -1.276 1.00 0.00 O ATOM 1115 CB LYS A 75 2.166 -7.383 1.273 1.00 0.00 C ATOM 1116 CG LYS A 75 3.420 -6.601 0.923 1.00 0.00 C ATOM 1117 CD LYS A 75 4.679 -7.362 1.309 1.00 0.00 C ATOM 1118 CE LYS A 75 5.933 -6.565 0.987 1.00 0.00 C ATOM 1119 NZ LYS A 75 7.051 -6.890 1.916 1.00 0.00 N ATOM 0 H LYS A 75 -0.064 -8.227 1.903 1.00 0.00 H new ATOM 0 HA LYS A 75 0.813 -5.714 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.119 -7.514 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.234 -8.378 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.433 -6.393 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.404 -5.639 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.655 -7.590 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.706 -8.315 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.241 -6.771 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.711 -5.499 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.887 -6.326 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.767 -6.670 2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.281 -7.902 1.842 1.00 0.00 H new ATOM 1133 N ALA A 76 0.443 -7.659 -1.397 1.00 0.00 N ATOM 1134 CA ALA A 76 0.396 -7.673 -2.854 1.00 0.00 C ATOM 1135 C ALA A 76 -0.619 -6.665 -3.381 1.00 0.00 C ATOM 1136 O ALA A 76 -0.423 -6.065 -4.437 1.00 0.00 O ATOM 1137 CB ALA A 76 0.065 -9.070 -3.357 1.00 0.00 C ATOM 0 H ALA A 76 0.114 -8.518 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 76 1.379 -7.387 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.033 -9.066 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.830 -9.769 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.905 -9.377 -2.967 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.706 -6.483 -2.638 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.737 -5.547 -3.047 1.00 0.00 C ATOM 1145 C GLY A 77 -2.285 -4.104 -2.942 1.00 0.00 C ATOM 1146 O GLY A 77 -2.522 -3.304 -3.848 1.00 0.00 O ATOM 0 H GLY A 77 -1.891 -6.967 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.029 -5.759 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.622 -5.693 -2.428 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.633 -3.769 -1.834 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.147 -2.412 -1.613 1.00 0.00 C ATOM 1152 C LEU A 78 -0.096 -2.033 -2.651 1.00 0.00 C ATOM 1153 O LEU A 78 -0.260 -1.063 -3.391 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.561 -2.281 -0.206 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.651 -0.895 0.433 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.104 -0.500 0.647 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.111 -0.865 1.750 1.00 0.00 C ATOM 0 H LEU A 78 -1.429 -4.419 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.992 -1.730 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.069 -2.993 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.488 -2.575 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.195 -0.173 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.149 0.489 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.621 -0.481 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.585 -1.224 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.036 0.129 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.316 -1.598 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.159 -1.104 1.570 1.00 0.00 H new ATOM 1169 N LEU A 79 0.983 -2.807 -2.702 1.00 0.00 N ATOM 1170 CA LEU A 79 2.062 -2.555 -3.651 1.00 0.00 C ATOM 1171 C LEU A 79 1.505 -2.161 -5.016 1.00 0.00 C ATOM 1172 O LEU A 79 1.923 -1.164 -5.603 1.00 0.00 O ATOM 1173 CB LEU A 79 2.947 -3.794 -3.788 1.00 0.00 C ATOM 1174 CG LEU A 79 3.811 -4.139 -2.574 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.302 -5.576 -2.659 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.986 -3.178 -2.464 1.00 0.00 C ATOM 0 H LEU A 79 1.134 -3.614 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 79 2.662 -1.728 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.309 -4.649 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.603 -3.655 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 79 3.200 -4.038 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.915 -5.803 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.447 -6.252 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.896 -5.705 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.589 -3.439 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.597 -3.246 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.614 -2.159 -2.355 1.00 0.00 H new ATOM 1188 N GLU A 80 0.557 -2.950 -5.512 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.058 -2.682 -6.808 1.00 0.00 C ATOM 1190 C GLU A 80 -0.900 -1.410 -6.757 1.00 0.00 C ATOM 1191 O GLU A 80 -0.945 -0.643 -7.720 1.00 0.00 O ATOM 1192 CB GLU A 80 -0.928 -3.864 -7.238 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.131 -5.039 -7.783 1.00 0.00 C ATOM 1194 CD GLU A 80 -0.937 -5.898 -8.737 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.954 -6.477 -8.300 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.552 -5.993 -9.921 1.00 0.00 O ATOM 0 H GLU A 80 0.198 -3.779 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 80 0.739 -2.542 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.518 -4.200 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.632 -3.528 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.755 -4.665 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.217 -5.653 -6.953 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.566 -1.193 -5.628 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.408 -0.015 -5.451 1.00 0.00 C ATOM 1205 C ARG A 81 -1.571 1.260 -5.476 1.00 0.00 C ATOM 1206 O ARG A 81 -2.012 2.295 -5.975 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.180 -0.106 -4.134 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.519 0.612 -4.161 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.629 -0.299 -4.663 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.925 0.374 -4.678 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.330 1.168 -5.662 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -6.545 1.388 -6.707 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.524 1.745 -5.602 1.00 0.00 N ATOM 0 H ARG A 81 -1.539 -1.817 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.118 0.021 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.345 -1.156 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.569 0.313 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.763 0.967 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.449 1.490 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.388 -0.644 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.687 -1.183 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.554 0.226 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.627 0.947 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.859 1.999 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.131 1.579 -4.799 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.834 2.355 -6.358 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.360 1.178 -4.932 1.00 0.00 N ATOM 1228 CA VAL A 82 0.538 2.325 -4.892 1.00 0.00 C ATOM 1229 C VAL A 82 1.077 2.651 -6.280 1.00 0.00 C ATOM 1230 O VAL A 82 1.118 3.813 -6.686 1.00 0.00 O ATOM 1231 CB VAL A 82 1.724 2.076 -3.939 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.639 3.290 -3.897 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.222 1.728 -2.546 1.00 0.00 C ATOM 0 H VAL A 82 0.021 0.329 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.045 3.170 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 82 2.300 1.230 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.470 3.096 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.025 3.490 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.079 4.156 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.072 1.555 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.623 2.552 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.611 0.827 -2.594 1.00 0.00 H new ATOM 1243 N LYS A 83 1.488 1.617 -7.006 1.00 0.00 N ATOM 1244 CA LYS A 83 2.024 1.791 -8.351 1.00 0.00 C ATOM 1245 C LYS A 83 0.949 2.310 -9.301 1.00 0.00 C ATOM 1246 O LYS A 83 1.232 3.105 -10.197 1.00 0.00 O ATOM 1247 CB LYS A 83 2.585 0.467 -8.874 1.00 0.00 C ATOM 1248 CG LYS A 83 3.630 -0.153 -7.963 1.00 0.00 C ATOM 1249 CD LYS A 83 3.838 -1.626 -8.275 1.00 0.00 C ATOM 1250 CE LYS A 83 4.537 -1.819 -9.613 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.260 -3.119 -9.678 1.00 0.00 N ATOM 0 H LYS A 83 1.460 0.649 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 83 2.828 2.525 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.765 -0.239 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.024 0.632 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.574 0.380 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.321 -0.040 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.430 -2.086 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.875 -2.136 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.802 -1.771 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.241 -1.003 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.723 -3.213 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.978 -3.155 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.584 -3.899 -9.548 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.284 1.857 -9.098 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.400 2.278 -9.936 1.00 0.00 C ATOM 1267 C GLU A 84 -1.896 3.662 -9.527 1.00 0.00 C ATOM 1268 O GLU A 84 -2.356 4.441 -10.364 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.545 1.267 -9.845 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.446 0.143 -10.862 1.00 0.00 C ATOM 1271 CD GLU A 84 -2.958 0.548 -12.231 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.926 1.334 -12.294 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -2.391 0.078 -13.240 1.00 0.00 O ATOM 0 H GLU A 84 -0.535 1.199 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.049 2.327 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.561 0.839 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.492 1.789 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.407 -0.175 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.014 -0.716 -10.505 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.800 3.961 -8.236 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.239 5.251 -7.716 1.00 0.00 C ATOM 1282 C LEU A 85 -1.309 6.369 -8.177 1.00 0.00 C ATOM 1283 O LEU A 85 -1.754 7.353 -8.769 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.292 5.215 -6.187 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.555 4.610 -5.574 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.304 4.200 -4.131 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.712 5.596 -5.657 1.00 0.00 C ATOM 0 H LEU A 85 -1.422 3.328 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.238 5.451 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.431 4.651 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.184 6.234 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.821 3.719 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.214 3.771 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.505 3.460 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.013 5.075 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.603 5.149 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.455 6.505 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.907 5.841 -6.701 1.00 0.00 H new ATOM 1299 N GLN A 86 -0.020 6.210 -7.904 1.00 0.00 N ATOM 1300 CA GLN A 86 0.972 7.207 -8.293 1.00 0.00 C ATOM 1301 C GLN A 86 0.957 7.429 -9.802 1.00 0.00 C ATOM 1302 O GLN A 86 1.040 8.563 -10.271 1.00 0.00 O ATOM 1303 CB GLN A 86 2.368 6.770 -7.844 1.00 0.00 C ATOM 1304 CG GLN A 86 2.881 5.534 -8.565 1.00 0.00 C ATOM 1305 CD GLN A 86 4.234 5.080 -8.056 1.00 0.00 C ATOM 1306 OE1 GLN A 86 4.282 4.651 -6.801 1.00 0.00 O flip ATOM 1307 NE2 GLN A 86 5.227 5.115 -8.784 1.00 0.00 N flip ATOM 0 H GLN A 86 0.364 5.401 -7.415 1.00 0.00 H new ATOM 0 HA GLN A 86 0.718 8.147 -7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.066 7.591 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.351 6.574 -6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.162 4.724 -8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.950 5.744 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.145 5.452 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.132 4.807 -8.428 1.00 0.00 H new ATOM 1316 N ALA A 87 0.851 6.339 -10.555 1.00 0.00 N ATOM 1317 CA ALA A 87 0.823 6.416 -12.010 1.00 0.00 C ATOM 1318 C ALA A 87 -0.242 7.397 -12.488 1.00 0.00 C ATOM 1319 O ALA A 87 -0.090 8.032 -13.530 1.00 0.00 O ATOM 1320 CB ALA A 87 0.581 5.038 -12.607 1.00 0.00 C ATOM 0 H ALA A 87 0.783 5.392 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 87 1.793 6.781 -12.348 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.563 5.111 -13.694 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.381 4.364 -12.302 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.374 4.651 -12.253 1.00 0.00 H new ATOM 1326 N GLU A 88 -1.320 7.513 -11.719 1.00 0.00 N ATOM 1327 CA GLU A 88 -2.412 8.416 -12.066 1.00 0.00 C ATOM 1328 C GLU A 88 -2.156 9.816 -11.514 1.00 0.00 C ATOM 1329 O GLU A 88 -1.920 10.758 -12.270 1.00 0.00 O ATOM 1330 CB GLU A 88 -3.739 7.878 -11.527 1.00 0.00 C ATOM 1331 CG GLU A 88 -4.089 6.492 -12.044 1.00 0.00 C ATOM 1332 CD GLU A 88 -4.848 6.533 -13.355 1.00 0.00 C ATOM 1333 OE1 GLU A 88 -5.591 7.511 -13.582 1.00 0.00 O ATOM 1334 OE2 GLU A 88 -4.700 5.587 -14.156 1.00 0.00 O ATOM 0 H GLU A 88 -1.461 6.994 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.468 8.477 -13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.695 7.850 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.538 8.569 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.173 5.916 -12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.688 5.971 -11.298 1.00 0.00 H new ATOM 1341 N GLN A 89 -2.206 9.943 -10.192 1.00 0.00 N ATOM 1342 CA GLN A 89 -1.982 11.227 -9.540 1.00 0.00 C ATOM 1343 C GLN A 89 -0.736 11.909 -10.096 1.00 0.00 C ATOM 1344 O GLN A 89 -0.645 13.137 -10.110 1.00 0.00 O ATOM 1345 CB GLN A 89 -1.842 11.038 -8.028 1.00 0.00 C ATOM 1346 CG GLN A 89 -0.681 10.140 -7.632 1.00 0.00 C ATOM 1347 CD GLN A 89 -0.117 10.483 -6.268 1.00 0.00 C ATOM 1348 OE1 GLN A 89 -0.788 11.107 -5.444 1.00 0.00 O ATOM 1349 NE2 GLN A 89 1.124 10.080 -6.021 1.00 0.00 N ATOM 0 H GLN A 89 -2.400 9.173 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.844 11.864 -9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.713 12.013 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -2.767 10.616 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.013 9.102 -7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.109 10.223 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.644 9.566 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.557 10.285 -5.120 1.00 0.00 H new ATOM 1358 N GLU A 90 0.220 11.106 -10.550 1.00 0.00 N ATOM 1359 CA GLU A 90 1.461 11.634 -11.106 1.00 0.00 C ATOM 1360 C GLU A 90 1.309 11.926 -12.596 1.00 0.00 C ATOM 1361 O GLU A 90 1.808 12.933 -13.096 1.00 0.00 O ATOM 1362 CB GLU A 90 2.607 10.646 -10.882 1.00 0.00 C ATOM 1363 CG GLU A 90 3.985 11.277 -10.988 1.00 0.00 C ATOM 1364 CD GLU A 90 4.389 12.012 -9.725 1.00 0.00 C ATOM 1365 OE1 GLU A 90 3.938 11.608 -8.634 1.00 0.00 O ATOM 1366 OE2 GLU A 90 5.158 12.991 -9.829 1.00 0.00 O ATOM 0 H GLU A 90 0.160 10.088 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 90 1.691 12.568 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.498 10.194 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.529 9.840 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.720 10.501 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.999 11.971 -11.828 1.00 0.00 H new ATOM 1373 N ASP A 91 0.619 11.035 -13.299 1.00 0.00 N ATOM 1374 CA ASP A 91 0.400 11.195 -14.732 1.00 0.00 C ATOM 1375 C ASP A 91 -0.012 12.626 -15.062 1.00 0.00 C ATOM 1376 O ASP A 91 0.628 13.296 -15.872 1.00 0.00 O ATOM 1377 CB ASP A 91 -0.671 10.217 -15.219 1.00 0.00 C ATOM 1378 CG ASP A 91 -1.330 10.674 -16.505 1.00 0.00 C ATOM 1379 OD1 ASP A 91 -0.603 10.908 -17.494 1.00 0.00 O ATOM 1380 OD2 ASP A 91 -2.571 10.796 -16.525 1.00 0.00 O ATOM 0 H ASP A 91 0.202 10.194 -12.900 1.00 0.00 H new ATOM 0 HA ASP A 91 1.338 10.979 -15.244 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.220 9.237 -15.374 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.431 10.100 -14.446 1.00 0.00 H new ATOM 1385 N ARG A 92 -1.087 13.087 -14.430 1.00 0.00 N ATOM 1386 CA ARG A 92 -1.587 14.437 -14.658 1.00 0.00 C ATOM 1387 C ARG A 92 -0.491 15.472 -14.415 1.00 0.00 C ATOM 1388 O ARG A 92 -0.496 16.547 -15.013 1.00 0.00 O ATOM 1389 CB ARG A 92 -2.782 14.722 -13.748 1.00 0.00 C ATOM 1390 CG ARG A 92 -2.477 14.548 -12.269 1.00 0.00 C ATOM 1391 CD ARG A 92 -3.728 14.709 -11.419 1.00 0.00 C ATOM 1392 NE ARG A 92 -4.096 16.112 -11.249 1.00 0.00 N ATOM 1393 CZ ARG A 92 -5.055 16.525 -10.427 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -5.737 15.648 -9.704 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -5.331 17.820 -10.326 1.00 0.00 N ATOM 0 H ARG A 92 -1.628 12.545 -13.756 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.906 14.508 -15.698 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.125 15.742 -13.922 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.602 14.059 -14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.045 13.562 -12.099 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.730 15.280 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.554 14.171 -11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.563 14.256 -10.441 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.590 16.813 -11.790 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.526 14.653 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.472 15.968 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.807 18.498 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.067 18.137 -9.695 1.00 0.00 H new ATOM 1409 N ALA A 93 0.446 15.136 -13.535 1.00 0.00 N ATOM 1410 CA ALA A 93 1.550 16.034 -13.214 1.00 0.00 C ATOM 1411 C ALA A 93 2.667 15.921 -14.245 1.00 0.00 C ATOM 1412 O ALA A 93 3.360 16.897 -14.534 1.00 0.00 O ATOM 1413 CB ALA A 93 2.083 15.738 -11.821 1.00 0.00 C ATOM 0 H ALA A 93 0.463 14.249 -13.031 1.00 0.00 H new ATOM 0 HA ALA A 93 1.172 17.056 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.906 16.416 -11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.287 15.878 -11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.438 14.708 -11.779 1.00 0.00 H new ATOM 1419 N LEU A 94 2.838 14.724 -14.797 1.00 0.00 N ATOM 1420 CA LEU A 94 3.873 14.484 -15.797 1.00 0.00 C ATOM 1421 C LEU A 94 3.715 15.428 -16.983 1.00 0.00 C ATOM 1422 O LEU A 94 4.625 16.189 -17.310 1.00 0.00 O ATOM 1423 CB LEU A 94 3.820 13.032 -16.275 1.00 0.00 C ATOM 1424 CG LEU A 94 5.056 12.523 -17.016 1.00 0.00 C ATOM 1425 CD1 LEU A 94 5.119 11.004 -16.971 1.00 0.00 C ATOM 1426 CD2 LEU A 94 5.055 13.015 -18.457 1.00 0.00 C ATOM 0 H LEU A 94 2.274 13.905 -14.569 1.00 0.00 H new ATOM 0 HA LEU A 94 4.841 14.673 -15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.651 12.392 -15.409 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.956 12.918 -16.930 1.00 0.00 H new ATOM 0 HG LEU A 94 5.941 12.918 -16.518 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.006 10.661 -17.504 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.168 10.672 -15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.229 10.589 -17.443 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.942 12.643 -18.969 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.163 12.650 -18.965 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.059 14.105 -18.469 1.00 0.00 H new ATOM 1438 N ARG A 95 2.551 15.375 -17.624 1.00 0.00 N ATOM 1439 CA ARG A 95 2.272 16.227 -18.774 1.00 0.00 C ATOM 1440 C ARG A 95 2.202 17.693 -18.360 1.00 0.00 C ATOM 1441 O ARG A 95 1.119 18.271 -18.262 1.00 0.00 O ATOM 1442 CB ARG A 95 0.958 15.810 -19.437 1.00 0.00 C ATOM 1443 CG ARG A 95 -0.092 15.320 -18.455 1.00 0.00 C ATOM 1444 CD ARG A 95 -1.484 15.348 -19.067 1.00 0.00 C ATOM 1445 NE ARG A 95 -1.795 14.110 -19.776 1.00 0.00 N ATOM 1446 CZ ARG A 95 -2.938 13.898 -20.419 1.00 0.00 C ATOM 1447 NH1 ARG A 95 -3.872 14.838 -20.443 1.00 0.00 N ATOM 1448 NH2 ARG A 95 -3.147 12.744 -21.041 1.00 0.00 N ATOM 0 H ARG A 95 1.786 14.751 -17.366 1.00 0.00 H new ATOM 0 HA ARG A 95 3.086 16.108 -19.489 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.556 16.658 -19.992 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.161 15.022 -20.162 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.148 14.304 -18.141 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.074 15.943 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.222 15.511 -18.282 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.560 16.189 -19.756 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.096 13.367 -19.778 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.714 15.726 -19.967 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.749 14.673 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.430 12.019 -21.025 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.025 12.582 -21.534 1.00 0.00 H new ATOM 1462 N SER A 96 3.365 18.291 -18.117 1.00 0.00 N ATOM 1463 CA SER A 96 3.435 19.689 -17.709 1.00 0.00 C ATOM 1464 C SER A 96 3.588 20.601 -18.921 1.00 0.00 C ATOM 1465 O SER A 96 4.663 21.148 -19.171 1.00 0.00 O ATOM 1466 CB SER A 96 4.604 19.903 -16.745 1.00 0.00 C ATOM 1467 OG SER A 96 4.223 19.616 -15.411 1.00 0.00 O ATOM 0 H SER A 96 4.271 17.829 -18.196 1.00 0.00 H new ATOM 0 HA SER A 96 2.504 19.941 -17.201 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.439 19.265 -17.034 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.952 20.934 -16.814 1.00 0.00 H new ATOM 0 HG SER A 96 3.960 18.675 -15.341 1.00 0.00 H new ATOM 1473 N PHE A 97 2.504 20.763 -19.673 1.00 0.00 N ATOM 1474 CA PHE A 97 2.516 21.608 -20.861 1.00 0.00 C ATOM 1475 C PHE A 97 3.200 22.941 -20.573 1.00 0.00 C ATOM 1476 O PHE A 97 2.597 23.851 -20.003 1.00 0.00 O ATOM 1477 CB PHE A 97 1.088 21.851 -21.356 1.00 0.00 C ATOM 1478 CG PHE A 97 0.284 22.742 -20.453 1.00 0.00 C ATOM 1479 CD1 PHE A 97 -0.289 22.242 -19.295 1.00 0.00 C ATOM 1480 CD2 PHE A 97 0.103 24.081 -20.763 1.00 0.00 C ATOM 1481 CE1 PHE A 97 -1.028 23.060 -18.462 1.00 0.00 C ATOM 1482 CE2 PHE A 97 -0.635 24.903 -19.933 1.00 0.00 C ATOM 1483 CZ PHE A 97 -1.203 24.392 -18.782 1.00 0.00 C ATOM 0 H PHE A 97 1.606 20.320 -19.480 1.00 0.00 H new ATOM 0 HA PHE A 97 3.079 21.091 -21.638 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.127 22.295 -22.350 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.578 20.893 -21.455 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.157 21.201 -19.040 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.543 24.486 -21.662 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.468 22.658 -17.561 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.768 25.945 -20.184 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.783 25.033 -18.134 1.00 0.00 H new ATOM 1493 N LYS A 98 4.463 23.050 -20.970 1.00 0.00 N ATOM 1494 CA LYS A 98 5.230 24.271 -20.757 1.00 0.00 C ATOM 1495 C LYS A 98 6.486 24.284 -21.624 1.00 0.00 C ATOM 1496 O LYS A 98 6.808 23.293 -22.279 1.00 0.00 O ATOM 1497 CB LYS A 98 5.615 24.404 -19.282 1.00 0.00 C ATOM 1498 CG LYS A 98 4.461 24.822 -18.388 1.00 0.00 C ATOM 1499 CD LYS A 98 4.956 25.402 -17.074 1.00 0.00 C ATOM 1500 CE LYS A 98 5.473 26.821 -17.250 1.00 0.00 C ATOM 1501 NZ LYS A 98 6.327 27.248 -16.107 1.00 0.00 N ATOM 0 H LYS A 98 4.978 22.306 -21.442 1.00 0.00 H new ATOM 0 HA LYS A 98 4.605 25.117 -21.042 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.009 23.450 -18.931 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.419 25.135 -19.189 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.848 25.560 -18.905 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.823 23.961 -18.189 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.146 25.397 -16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.750 24.772 -16.673 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.046 26.886 -18.175 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.630 27.505 -17.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.659 28.221 -16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.774 27.211 -15.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.146 26.611 -16.028 1.00 0.00 H new ATOM 1515 N SER A 99 7.190 25.411 -21.622 1.00 0.00 N ATOM 1516 CA SER A 99 8.409 25.552 -22.409 1.00 0.00 C ATOM 1517 C SER A 99 9.458 24.534 -21.974 1.00 0.00 C ATOM 1518 O SER A 99 9.388 23.984 -20.876 1.00 0.00 O ATOM 1519 CB SER A 99 8.969 26.969 -22.272 1.00 0.00 C ATOM 1520 OG SER A 99 9.472 27.194 -20.966 1.00 0.00 O ATOM 0 H SER A 99 6.937 26.240 -21.084 1.00 0.00 H new ATOM 0 HA SER A 99 8.160 25.367 -23.454 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.763 27.122 -23.003 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.187 27.696 -22.494 1.00 0.00 H new ATOM 0 HG SER A 99 9.826 28.106 -20.904 1.00 0.00 H new ATOM 1526 N GLY A 100 10.433 24.289 -22.845 1.00 0.00 N ATOM 1527 CA GLY A 100 11.483 23.337 -22.534 1.00 0.00 C ATOM 1528 C GLY A 100 11.372 22.064 -23.348 1.00 0.00 C ATOM 1529 O GLY A 100 10.321 21.747 -23.905 1.00 0.00 O ATOM 0 H GLY A 100 10.514 24.733 -23.760 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.453 23.798 -22.718 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.443 23.091 -21.473 1.00 0.00 H new ATOM 1533 N PRO A 101 12.477 21.308 -23.427 1.00 0.00 N ATOM 1534 CA PRO A 101 12.524 20.049 -24.178 1.00 0.00 C ATOM 1535 C PRO A 101 11.701 18.949 -23.517 1.00 0.00 C ATOM 1536 O PRO A 101 11.901 18.630 -22.346 1.00 0.00 O ATOM 1537 CB PRO A 101 14.012 19.685 -24.165 1.00 0.00 C ATOM 1538 CG PRO A 101 14.555 20.354 -22.950 1.00 0.00 C ATOM 1539 CD PRO A 101 13.766 21.623 -22.788 1.00 0.00 C ATOM 0 HA PRO A 101 12.105 20.155 -25.179 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.155 18.605 -24.120 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.513 20.035 -25.067 1.00 0.00 H new ATOM 0 HG2 PRO A 101 14.450 19.715 -22.073 1.00 0.00 H new ATOM 0 HG3 PRO A 101 15.618 20.567 -23.064 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.640 21.886 -21.738 1.00 0.00 H new ATOM 0 HD3 PRO A 101 14.258 22.467 -23.271 1.00 0.00 H new ATOM 1547 N SER A 102 10.774 18.373 -24.277 1.00 0.00 N ATOM 1548 CA SER A 102 9.917 17.311 -23.764 1.00 0.00 C ATOM 1549 C SER A 102 9.782 16.183 -24.783 1.00 0.00 C ATOM 1550 O SER A 102 9.445 16.417 -25.943 1.00 0.00 O ATOM 1551 CB SER A 102 8.536 17.865 -23.414 1.00 0.00 C ATOM 1552 OG SER A 102 7.824 18.234 -24.581 1.00 0.00 O ATOM 0 H SER A 102 10.598 18.624 -25.250 1.00 0.00 H new ATOM 0 HA SER A 102 10.378 16.910 -22.862 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.970 17.116 -22.860 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.643 18.731 -22.761 1.00 0.00 H new ATOM 0 HG SER A 102 8.251 17.831 -25.366 1.00 0.00 H new ATOM 1558 N SER A 103 10.048 14.958 -24.340 1.00 0.00 N ATOM 1559 CA SER A 103 9.961 13.793 -25.212 1.00 0.00 C ATOM 1560 C SER A 103 8.511 13.503 -25.586 1.00 0.00 C ATOM 1561 O SER A 103 7.582 13.996 -24.946 1.00 0.00 O ATOM 1562 CB SER A 103 10.578 12.571 -24.530 1.00 0.00 C ATOM 1563 OG SER A 103 11.993 12.653 -24.521 1.00 0.00 O ATOM 0 H SER A 103 10.326 14.747 -23.381 1.00 0.00 H new ATOM 0 HA SER A 103 10.517 14.010 -26.124 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.208 12.496 -23.507 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.266 11.665 -25.049 1.00 0.00 H new ATOM 0 HG SER A 103 12.364 11.861 -24.078 1.00 0.00 H new ATOM 1569 N GLY A 104 8.324 12.698 -26.628 1.00 0.00 N ATOM 1570 CA GLY A 104 6.985 12.354 -27.069 1.00 0.00 C ATOM 1571 C GLY A 104 6.808 10.864 -27.280 1.00 0.00 C ATOM 1572 O GLY A 104 6.727 10.100 -26.318 1.00 0.00 O ATOM 0 H GLY A 104 9.076 12.278 -27.174 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.262 12.701 -26.331 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.767 12.878 -28.000 1.00 0.00 H new TER 1576 GLY A 104