USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 671 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 26 SER OG : rot -84:sc= 1.19 USER MOD Set 1.2: A 32 MET CE :methyl -124:sc= -0.35 (180deg=-1.05) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= -5.11! C(o=-12!,f=-19!) USER MOD Set 2.3: A 60 CYS SG : rot -150:sc= -7.14! USER MOD Set 3.1: A 8 SER OG : rot 180:sc= -0.118 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -26:sc= 0.882 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 161:sc= 1.23 USER MOD Single : A 6 SER OG : rot -30:sc= 0.873 USER MOD Single : A 11 SER OG : rot 150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.276 X(o=0.28,f=-0.099) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -104:sc= -2.22! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.68! C(o=-1.7!,f=-13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 116:sc= 0.0806 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -1.65! (180deg=-1.71!) USER MOD Single : A 56 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= -4.82! (180deg=-7.83!) USER MOD Single : A 65 SER OG : rot -60:sc= 1.14 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.0564 (180deg=-0.38) USER MOD Single : A 74 ASN : amide:sc= -7.87! C(o=-7.9!,f=-12!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.017) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.494 -12.987 -1.139 1.00 0.00 N ATOM 2 CA GLY A 1 -26.883 -12.079 -2.092 1.00 0.00 C ATOM 3 C GLY A 1 -27.883 -11.522 -3.086 1.00 0.00 C ATOM 4 O GLY A 1 -28.832 -10.838 -2.704 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.769 -13.340 -0.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.231 -12.485 -0.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.920 -13.788 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.413 -11.256 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.092 -12.601 -2.631 1.00 0.00 H new ATOM 8 N SER A 2 -27.669 -11.813 -4.365 1.00 0.00 N ATOM 9 CA SER A 2 -28.556 -11.331 -5.417 1.00 0.00 C ATOM 10 C SER A 2 -28.738 -9.820 -5.324 1.00 0.00 C ATOM 11 O SER A 2 -29.838 -9.302 -5.522 1.00 0.00 O ATOM 12 CB SER A 2 -29.915 -12.027 -5.325 1.00 0.00 C ATOM 13 OG SER A 2 -30.731 -11.424 -4.336 1.00 0.00 O ATOM 0 H SER A 2 -26.889 -12.380 -4.698 1.00 0.00 H new ATOM 0 HA SER A 2 -28.100 -11.565 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.416 -11.982 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.772 -13.082 -5.089 1.00 0.00 H new ATOM 0 HG SER A 2 -30.164 -10.993 -3.662 1.00 0.00 H new ATOM 19 N SER A 3 -27.652 -9.116 -5.021 1.00 0.00 N ATOM 20 CA SER A 3 -27.692 -7.664 -4.897 1.00 0.00 C ATOM 21 C SER A 3 -27.742 -7.003 -6.272 1.00 0.00 C ATOM 22 O SER A 3 -27.262 -7.559 -7.258 1.00 0.00 O ATOM 23 CB SER A 3 -26.471 -7.163 -4.122 1.00 0.00 C ATOM 24 OG SER A 3 -26.532 -7.560 -2.763 1.00 0.00 O ATOM 0 H SER A 3 -26.733 -9.528 -4.857 1.00 0.00 H new ATOM 0 HA SER A 3 -28.596 -7.395 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.561 -7.554 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.417 -6.076 -4.185 1.00 0.00 H new ATOM 0 HG SER A 3 -25.740 -7.229 -2.290 1.00 0.00 H new ATOM 30 N GLY A 4 -28.327 -5.810 -6.327 1.00 0.00 N ATOM 31 CA GLY A 4 -28.430 -5.092 -7.584 1.00 0.00 C ATOM 32 C GLY A 4 -29.120 -3.751 -7.430 1.00 0.00 C ATOM 33 O GLY A 4 -29.875 -3.330 -8.307 1.00 0.00 O ATOM 0 H GLY A 4 -28.731 -5.328 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.432 -4.939 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.980 -5.700 -8.302 1.00 0.00 H new ATOM 37 N SER A 5 -28.862 -3.079 -6.313 1.00 0.00 N ATOM 38 CA SER A 5 -29.468 -1.780 -6.045 1.00 0.00 C ATOM 39 C SER A 5 -28.952 -0.728 -7.022 1.00 0.00 C ATOM 40 O SER A 5 -29.729 0.033 -7.600 1.00 0.00 O ATOM 41 CB SER A 5 -29.177 -1.344 -4.608 1.00 0.00 C ATOM 42 OG SER A 5 -27.784 -1.350 -4.346 1.00 0.00 O ATOM 0 H SER A 5 -28.237 -3.412 -5.579 1.00 0.00 H new ATOM 0 HA SER A 5 -30.546 -1.876 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.578 -0.344 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.684 -2.012 -3.912 1.00 0.00 H new ATOM 0 HG SER A 5 -27.597 -0.797 -3.559 1.00 0.00 H new ATOM 48 N SER A 6 -27.636 -0.691 -7.202 1.00 0.00 N ATOM 49 CA SER A 6 -27.014 0.270 -8.106 1.00 0.00 C ATOM 50 C SER A 6 -27.474 1.690 -7.789 1.00 0.00 C ATOM 51 O SER A 6 -27.700 2.496 -8.690 1.00 0.00 O ATOM 52 CB SER A 6 -27.347 -0.075 -9.558 1.00 0.00 C ATOM 53 OG SER A 6 -28.636 0.397 -9.912 1.00 0.00 O ATOM 0 H SER A 6 -26.979 -1.315 -6.734 1.00 0.00 H new ATOM 0 HA SER A 6 -25.934 0.217 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.601 0.365 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.301 -1.155 -9.698 1.00 0.00 H new ATOM 0 HG SER A 6 -29.213 0.398 -9.120 1.00 0.00 H new ATOM 59 N GLY A 7 -27.612 1.987 -6.501 1.00 0.00 N ATOM 60 CA GLY A 7 -28.044 3.309 -6.087 1.00 0.00 C ATOM 61 C GLY A 7 -27.119 3.927 -5.058 1.00 0.00 C ATOM 62 O GLY A 7 -25.912 4.031 -5.281 1.00 0.00 O ATOM 0 H GLY A 7 -27.432 1.336 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.098 3.960 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.051 3.246 -5.674 1.00 0.00 H new ATOM 66 N SER A 8 -27.684 4.339 -3.927 1.00 0.00 N ATOM 67 CA SER A 8 -26.901 4.954 -2.862 1.00 0.00 C ATOM 68 C SER A 8 -25.812 4.006 -2.370 1.00 0.00 C ATOM 69 O SER A 8 -24.665 4.408 -2.175 1.00 0.00 O ATOM 70 CB SER A 8 -27.810 5.352 -1.697 1.00 0.00 C ATOM 71 OG SER A 8 -28.263 4.210 -0.991 1.00 0.00 O ATOM 0 H SER A 8 -28.681 4.258 -3.725 1.00 0.00 H new ATOM 0 HA SER A 8 -26.425 5.848 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 8 -27.269 6.012 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 8 -28.665 5.913 -2.074 1.00 0.00 H new ATOM 0 HG SER A 8 -28.840 4.491 -0.251 1.00 0.00 H new ATOM 77 N SER A 9 -26.179 2.744 -2.172 1.00 0.00 N ATOM 78 CA SER A 9 -25.236 1.738 -1.700 1.00 0.00 C ATOM 79 C SER A 9 -25.287 0.490 -2.577 1.00 0.00 C ATOM 80 O SER A 9 -26.297 -0.213 -2.616 1.00 0.00 O ATOM 81 CB SER A 9 -25.538 1.367 -0.247 1.00 0.00 C ATOM 82 OG SER A 9 -25.321 2.470 0.617 1.00 0.00 O ATOM 0 H SER A 9 -27.124 2.394 -2.331 1.00 0.00 H new ATOM 0 HA SER A 9 -24.233 2.161 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.572 1.032 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.906 0.533 0.057 1.00 0.00 H new ATOM 0 HG SER A 9 -25.523 2.208 1.539 1.00 0.00 H new ATOM 88 N ALA A 10 -24.192 0.222 -3.279 1.00 0.00 N ATOM 89 CA ALA A 10 -24.110 -0.941 -4.154 1.00 0.00 C ATOM 90 C ALA A 10 -23.073 -1.937 -3.647 1.00 0.00 C ATOM 91 O ALA A 10 -22.025 -1.548 -3.132 1.00 0.00 O ATOM 92 CB ALA A 10 -23.781 -0.510 -5.575 1.00 0.00 C ATOM 0 H ALA A 10 -23.348 0.795 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.081 -1.436 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.723 -1.389 -6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.561 0.157 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -22.823 0.011 -5.585 1.00 0.00 H new ATOM 98 N SER A 11 -23.372 -3.224 -3.797 1.00 0.00 N ATOM 99 CA SER A 11 -22.467 -4.276 -3.350 1.00 0.00 C ATOM 100 C SER A 11 -21.139 -4.203 -4.097 1.00 0.00 C ATOM 101 O SER A 11 -20.952 -3.359 -4.973 1.00 0.00 O ATOM 102 CB SER A 11 -23.107 -5.650 -3.557 1.00 0.00 C ATOM 103 OG SER A 11 -23.538 -5.815 -4.897 1.00 0.00 O ATOM 0 H SER A 11 -24.234 -3.563 -4.225 1.00 0.00 H new ATOM 0 HA SER A 11 -22.275 -4.129 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.390 -6.431 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.955 -5.765 -2.882 1.00 0.00 H new ATOM 0 HG SER A 11 -23.488 -6.762 -5.142 1.00 0.00 H new ATOM 109 N PHE A 12 -20.219 -5.095 -3.744 1.00 0.00 N ATOM 110 CA PHE A 12 -18.907 -5.133 -4.380 1.00 0.00 C ATOM 111 C PHE A 12 -18.933 -6.010 -5.628 1.00 0.00 C ATOM 112 O PHE A 12 -19.939 -6.653 -5.930 1.00 0.00 O ATOM 113 CB PHE A 12 -17.856 -5.655 -3.398 1.00 0.00 C ATOM 114 CG PHE A 12 -18.118 -7.058 -2.929 1.00 0.00 C ATOM 115 CD1 PHE A 12 -18.021 -8.125 -3.807 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.461 -7.309 -1.610 1.00 0.00 C ATOM 117 CE1 PHE A 12 -18.262 -9.417 -3.378 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.703 -8.599 -1.176 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.603 -9.654 -2.061 1.00 0.00 C ATOM 0 H PHE A 12 -20.358 -5.801 -3.021 1.00 0.00 H new ATOM 0 HA PHE A 12 -18.645 -4.117 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.876 -5.616 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.818 -4.993 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.754 -7.946 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.540 -6.488 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -18.184 -10.240 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.970 -8.781 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.791 -10.663 -1.724 1.00 0.00 H new ATOM 129 N THR A 13 -17.818 -6.030 -6.353 1.00 0.00 N ATOM 130 CA THR A 13 -17.712 -6.825 -7.570 1.00 0.00 C ATOM 131 C THR A 13 -16.773 -8.010 -7.372 1.00 0.00 C ATOM 132 O THR A 13 -16.145 -8.149 -6.322 1.00 0.00 O ATOM 133 CB THR A 13 -17.209 -5.977 -8.753 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.896 -5.478 -8.474 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.151 -4.815 -9.025 1.00 0.00 C ATOM 0 H THR A 13 -16.976 -5.504 -6.118 1.00 0.00 H new ATOM 0 HA THR A 13 -18.713 -7.192 -7.796 1.00 0.00 H new ATOM 0 HB THR A 13 -17.176 -6.612 -9.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.582 -4.941 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.775 -4.231 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 13 -19.142 -5.199 -9.265 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.212 -4.181 -8.140 1.00 0.00 H new ATOM 143 N LYS A 14 -16.681 -8.861 -8.388 1.00 0.00 N ATOM 144 CA LYS A 14 -15.816 -10.034 -8.327 1.00 0.00 C ATOM 145 C LYS A 14 -14.357 -9.626 -8.148 1.00 0.00 C ATOM 146 O LYS A 14 -13.619 -10.250 -7.387 1.00 0.00 O ATOM 147 CB LYS A 14 -15.970 -10.872 -9.598 1.00 0.00 C ATOM 148 CG LYS A 14 -17.376 -11.407 -9.808 1.00 0.00 C ATOM 149 CD LYS A 14 -17.467 -12.261 -11.062 1.00 0.00 C ATOM 150 CE LYS A 14 -18.899 -12.360 -11.566 1.00 0.00 C ATOM 151 NZ LYS A 14 -19.659 -13.433 -10.867 1.00 0.00 N ATOM 0 H LYS A 14 -17.195 -8.761 -9.264 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.116 -10.631 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.689 -10.266 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.274 -11.710 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.674 -11.998 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.076 -10.574 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.835 -11.834 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.084 -13.260 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.402 -11.404 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.894 -12.557 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.630 -13.469 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.193 -14.349 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.686 -13.231 -9.847 1.00 0.00 H new ATOM 165 N GLU A 15 -13.951 -8.575 -8.853 1.00 0.00 N ATOM 166 CA GLU A 15 -12.580 -8.084 -8.770 1.00 0.00 C ATOM 167 C GLU A 15 -12.164 -7.876 -7.317 1.00 0.00 C ATOM 168 O GLU A 15 -11.243 -8.528 -6.826 1.00 0.00 O ATOM 169 CB GLU A 15 -12.436 -6.773 -9.546 1.00 0.00 C ATOM 170 CG GLU A 15 -12.053 -6.968 -11.004 1.00 0.00 C ATOM 171 CD GLU A 15 -13.202 -7.486 -11.846 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.660 -8.620 -11.592 1.00 0.00 O ATOM 173 OE2 GLU A 15 -13.644 -6.757 -12.758 1.00 0.00 O ATOM 0 H GLU A 15 -14.551 -8.048 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.925 -8.834 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.377 -6.226 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.682 -6.154 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.706 -6.020 -11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.219 -7.667 -11.066 1.00 0.00 H new ATOM 180 N GLN A 16 -12.849 -6.963 -6.636 1.00 0.00 N ATOM 181 CA GLN A 16 -12.549 -6.668 -5.240 1.00 0.00 C ATOM 182 C GLN A 16 -12.414 -7.953 -4.429 1.00 0.00 C ATOM 183 O GLN A 16 -11.352 -8.242 -3.880 1.00 0.00 O ATOM 184 CB GLN A 16 -13.642 -5.784 -4.638 1.00 0.00 C ATOM 185 CG GLN A 16 -13.822 -4.460 -5.363 1.00 0.00 C ATOM 186 CD GLN A 16 -15.078 -3.726 -4.936 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.190 -4.117 -5.291 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.906 -2.655 -4.170 1.00 0.00 N ATOM 0 H GLN A 16 -13.615 -6.415 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.599 -6.135 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.586 -6.328 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.404 -5.587 -3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.955 -3.827 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.859 -4.641 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.966 -2.367 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.714 -2.120 -3.852 1.00 0.00 H new ATOM 197 N ALA A 17 -13.498 -8.719 -4.359 1.00 0.00 N ATOM 198 CA ALA A 17 -13.500 -9.973 -3.617 1.00 0.00 C ATOM 199 C ALA A 17 -12.306 -10.841 -4.002 1.00 0.00 C ATOM 200 O ALA A 17 -11.656 -11.436 -3.142 1.00 0.00 O ATOM 201 CB ALA A 17 -14.800 -10.726 -3.855 1.00 0.00 C ATOM 0 H ALA A 17 -14.386 -8.493 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.418 -9.738 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.787 -11.661 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.640 -10.116 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.906 -10.942 -4.918 1.00 0.00 H new ATOM 207 N ASP A 18 -12.024 -10.909 -5.298 1.00 0.00 N ATOM 208 CA ASP A 18 -10.908 -11.704 -5.797 1.00 0.00 C ATOM 209 C ASP A 18 -9.590 -11.232 -5.191 1.00 0.00 C ATOM 210 O ASP A 18 -8.629 -11.994 -5.099 1.00 0.00 O ATOM 211 CB ASP A 18 -10.839 -11.624 -7.323 1.00 0.00 C ATOM 212 CG ASP A 18 -11.851 -12.531 -7.996 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.939 -12.737 -7.420 1.00 0.00 O ATOM 214 OD2 ASP A 18 -11.554 -13.033 -9.100 1.00 0.00 O ATOM 0 H ASP A 18 -12.553 -10.423 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.072 -12.740 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.011 -10.595 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.836 -11.895 -7.653 1.00 0.00 H new ATOM 219 N ALA A 19 -9.553 -9.969 -4.779 1.00 0.00 N ATOM 220 CA ALA A 19 -8.355 -9.395 -4.181 1.00 0.00 C ATOM 221 C ALA A 19 -8.190 -9.852 -2.735 1.00 0.00 C ATOM 222 O ALA A 19 -7.139 -10.368 -2.354 1.00 0.00 O ATOM 223 CB ALA A 19 -8.403 -7.876 -4.254 1.00 0.00 C ATOM 0 H ALA A 19 -10.340 -9.324 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.493 -9.747 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.501 -7.461 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.464 -7.564 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.278 -7.513 -3.715 1.00 0.00 H new ATOM 229 N ILE A 20 -9.233 -9.657 -1.936 1.00 0.00 N ATOM 230 CA ILE A 20 -9.203 -10.050 -0.532 1.00 0.00 C ATOM 231 C ILE A 20 -8.782 -11.508 -0.378 1.00 0.00 C ATOM 232 O ILE A 20 -7.850 -11.820 0.362 1.00 0.00 O ATOM 233 CB ILE A 20 -10.575 -9.850 0.138 1.00 0.00 C ATOM 234 CG1 ILE A 20 -10.977 -8.374 0.097 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.543 -10.357 1.572 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.818 -8.010 -1.106 1.00 0.00 C ATOM 0 H ILE A 20 -10.109 -9.230 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.471 -9.409 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.319 -10.425 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.531 -8.131 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.076 -7.760 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.520 -10.209 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.297 -11.419 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.789 -9.807 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.066 -6.949 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.259 -8.221 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.736 -8.597 -1.099 1.00 0.00 H new ATOM 248 N ARG A 21 -9.475 -12.396 -1.084 1.00 0.00 N ATOM 249 CA ARG A 21 -9.173 -13.821 -1.026 1.00 0.00 C ATOM 250 C ARG A 21 -7.672 -14.064 -1.153 1.00 0.00 C ATOM 251 O ARG A 21 -7.126 -14.973 -0.529 1.00 0.00 O ATOM 252 CB ARG A 21 -9.917 -14.567 -2.135 1.00 0.00 C ATOM 253 CG ARG A 21 -9.117 -14.703 -3.420 1.00 0.00 C ATOM 254 CD ARG A 21 -9.912 -15.425 -4.497 1.00 0.00 C ATOM 255 NE ARG A 21 -9.046 -16.151 -5.422 1.00 0.00 N ATOM 256 CZ ARG A 21 -8.369 -15.569 -6.406 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.457 -14.259 -6.591 1.00 0.00 N ATOM 258 NH2 ARG A 21 -7.601 -16.298 -7.206 1.00 0.00 N ATOM 0 H ARG A 21 -10.249 -12.154 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.504 -14.198 -0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.184 -15.561 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.849 -14.045 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.831 -13.714 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.195 -15.248 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.607 -16.122 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.510 -14.702 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.956 -17.160 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.045 -13.696 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.936 -13.815 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.530 -17.306 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.082 -15.850 -7.961 1.00 0.00 H new ATOM 272 N ARG A 22 -7.012 -13.245 -1.966 1.00 0.00 N ATOM 273 CA ARG A 22 -5.575 -13.372 -2.176 1.00 0.00 C ATOM 274 C ARG A 22 -4.801 -12.862 -0.964 1.00 0.00 C ATOM 275 O ARG A 22 -3.881 -13.522 -0.480 1.00 0.00 O ATOM 276 CB ARG A 22 -5.151 -12.601 -3.427 1.00 0.00 C ATOM 277 CG ARG A 22 -5.343 -13.381 -4.718 1.00 0.00 C ATOM 278 CD ARG A 22 -4.203 -14.359 -4.952 1.00 0.00 C ATOM 279 NE ARG A 22 -4.324 -15.042 -6.238 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.844 -14.556 -7.377 1.00 0.00 C ATOM 281 NH1 ARG A 22 -3.214 -13.389 -7.390 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.994 -15.236 -8.506 1.00 0.00 N ATOM 0 H ARG A 22 -7.450 -12.487 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.345 -14.429 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.723 -11.675 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.101 -12.322 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.287 -13.924 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.408 -12.688 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.253 -13.825 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.187 -15.097 -4.150 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.804 -15.942 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.097 -12.863 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.846 -13.018 -8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.479 -16.134 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.625 -14.861 -9.380 1.00 0.00 H new ATOM 296 N ILE A 23 -5.179 -11.684 -0.480 1.00 0.00 N ATOM 297 CA ILE A 23 -4.521 -11.086 0.675 1.00 0.00 C ATOM 298 C ILE A 23 -4.499 -12.051 1.856 1.00 0.00 C ATOM 299 O ILE A 23 -3.477 -12.207 2.524 1.00 0.00 O ATOM 300 CB ILE A 23 -5.216 -9.781 1.106 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.172 -8.755 -0.028 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.561 -9.221 2.360 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.770 -7.417 0.344 1.00 0.00 C ATOM 0 H ILE A 23 -5.938 -11.125 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.498 -10.861 0.374 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.260 -10.000 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.136 -8.608 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.706 -9.155 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.063 -8.299 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.640 -9.949 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.510 -9.014 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.704 -6.740 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.815 -7.550 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.222 -6.995 1.186 1.00 0.00 H new ATOM 315 N ARG A 24 -5.633 -12.697 2.106 1.00 0.00 N ATOM 316 CA ARG A 24 -5.744 -13.648 3.206 1.00 0.00 C ATOM 317 C ARG A 24 -5.009 -14.945 2.879 1.00 0.00 C ATOM 318 O ARG A 24 -4.485 -15.614 3.768 1.00 0.00 O ATOM 319 CB ARG A 24 -7.214 -13.944 3.506 1.00 0.00 C ATOM 320 CG ARG A 24 -7.961 -14.570 2.339 1.00 0.00 C ATOM 321 CD ARG A 24 -9.463 -14.380 2.473 1.00 0.00 C ATOM 322 NE ARG A 24 -10.209 -15.497 1.900 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.507 -16.603 2.573 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.125 -16.739 3.835 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.189 -17.576 1.983 1.00 0.00 N ATOM 0 H ARG A 24 -6.488 -12.579 1.562 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.283 -13.202 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.273 -14.613 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.712 -13.017 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.619 -14.124 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.731 -15.634 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.722 -14.273 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.757 -13.455 1.977 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.518 -15.424 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.601 -15.993 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.355 -17.589 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.485 -17.475 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.417 -18.425 2.500 1.00 0.00 H new ATOM 339 N ASN A 25 -4.977 -15.294 1.597 1.00 0.00 N ATOM 340 CA ASN A 25 -4.308 -16.512 1.153 1.00 0.00 C ATOM 341 C ASN A 25 -2.934 -16.196 0.570 1.00 0.00 C ATOM 342 O ASN A 25 -2.351 -17.009 -0.147 1.00 0.00 O ATOM 343 CB ASN A 25 -5.163 -17.237 0.110 1.00 0.00 C ATOM 344 CG ASN A 25 -6.326 -17.984 0.734 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.141 -18.801 1.636 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.532 -17.705 0.255 1.00 0.00 N ATOM 0 H ASN A 25 -5.406 -14.751 0.848 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.175 -17.161 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.544 -16.513 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.539 -17.939 -0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.353 -18.175 0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.638 -17.020 -0.494 1.00 0.00 H new ATOM 353 N SER A 26 -2.423 -15.010 0.883 1.00 0.00 N ATOM 354 CA SER A 26 -1.119 -14.584 0.388 1.00 0.00 C ATOM 355 C SER A 26 0.004 -15.190 1.226 1.00 0.00 C ATOM 356 O SER A 26 -0.174 -15.475 2.410 1.00 0.00 O ATOM 357 CB SER A 26 -1.017 -13.058 0.404 1.00 0.00 C ATOM 358 OG SER A 26 -0.885 -12.570 1.728 1.00 0.00 O ATOM 0 H SER A 26 -2.892 -14.327 1.477 1.00 0.00 H new ATOM 0 HA SER A 26 -1.014 -14.936 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.160 -12.741 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.904 -12.626 -0.059 1.00 0.00 H new ATOM 0 HG SER A 26 -1.773 -12.481 2.134 1.00 0.00 H new ATOM 364 N LYS A 27 1.160 -15.383 0.601 1.00 0.00 N ATOM 365 CA LYS A 27 2.314 -15.953 1.287 1.00 0.00 C ATOM 366 C LYS A 27 3.391 -14.896 1.511 1.00 0.00 C ATOM 367 O LYS A 27 4.445 -15.181 2.080 1.00 0.00 O ATOM 368 CB LYS A 27 2.889 -17.118 0.478 1.00 0.00 C ATOM 369 CG LYS A 27 1.829 -18.031 -0.113 1.00 0.00 C ATOM 370 CD LYS A 27 2.450 -19.156 -0.924 1.00 0.00 C ATOM 371 CE LYS A 27 1.454 -19.746 -1.911 1.00 0.00 C ATOM 372 NZ LYS A 27 2.066 -20.823 -2.738 1.00 0.00 N ATOM 0 H LYS A 27 1.323 -15.153 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 27 1.983 -16.321 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.504 -16.720 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.546 -17.706 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.222 -18.452 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.160 -17.450 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.320 -18.780 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.805 -19.938 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.598 -20.147 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.077 -18.957 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.356 -21.200 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.867 -20.435 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.403 -21.587 -2.118 1.00 0.00 H new ATOM 386 N ASP A 28 3.118 -13.676 1.062 1.00 0.00 N ATOM 387 CA ASP A 28 4.062 -12.575 1.217 1.00 0.00 C ATOM 388 C ASP A 28 3.401 -11.241 0.884 1.00 0.00 C ATOM 389 O ASP A 28 2.244 -11.198 0.467 1.00 0.00 O ATOM 390 CB ASP A 28 5.281 -12.792 0.320 1.00 0.00 C ATOM 391 CG ASP A 28 6.363 -13.608 1.000 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.620 -13.370 2.199 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.953 -14.484 0.334 1.00 0.00 O ATOM 0 H ASP A 28 2.251 -13.424 0.588 1.00 0.00 H new ATOM 0 HA ASP A 28 4.385 -12.549 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.970 -13.297 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.690 -11.825 0.027 1.00 0.00 H new ATOM 398 N SER A 29 4.144 -10.155 1.073 1.00 0.00 N ATOM 399 CA SER A 29 3.628 -8.819 0.797 1.00 0.00 C ATOM 400 C SER A 29 3.510 -8.582 -0.705 1.00 0.00 C ATOM 401 O SER A 29 2.530 -8.006 -1.178 1.00 0.00 O ATOM 402 CB SER A 29 4.537 -7.760 1.423 1.00 0.00 C ATOM 403 OG SER A 29 5.835 -7.803 0.856 1.00 0.00 O ATOM 0 H SER A 29 5.104 -10.174 1.416 1.00 0.00 H new ATOM 0 HA SER A 29 2.634 -8.741 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.104 -6.771 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.601 -7.921 2.499 1.00 0.00 H new ATOM 0 HG SER A 29 6.453 -8.231 1.485 1.00 0.00 H new ATOM 409 N TRP A 30 4.514 -9.030 -1.449 1.00 0.00 N ATOM 410 CA TRP A 30 4.524 -8.866 -2.898 1.00 0.00 C ATOM 411 C TRP A 30 3.210 -9.340 -3.508 1.00 0.00 C ATOM 412 O TRP A 30 2.702 -8.740 -4.456 1.00 0.00 O ATOM 413 CB TRP A 30 5.693 -9.639 -3.511 1.00 0.00 C ATOM 414 CG TRP A 30 6.979 -9.463 -2.762 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.764 -10.451 -2.239 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.628 -8.226 -2.451 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.862 -9.902 -1.622 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.802 -8.538 -1.739 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.332 -6.884 -2.708 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.677 -7.557 -1.280 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.202 -5.912 -2.251 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.363 -6.252 -1.545 1.00 0.00 C ATOM 0 H TRP A 30 5.332 -9.510 -1.073 1.00 0.00 H new ATOM 0 HA TRP A 30 4.644 -7.805 -3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.441 -10.699 -3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.834 -9.314 -4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.553 -11.508 -2.301 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.602 -10.425 -1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.440 -6.612 -3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.572 -7.817 -0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.983 -4.872 -2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.023 -5.469 -1.203 1.00 0.00 H new ATOM 433 N ASP A 31 2.662 -10.419 -2.959 1.00 0.00 N ATOM 434 CA ASP A 31 1.405 -10.972 -3.449 1.00 0.00 C ATOM 435 C ASP A 31 0.240 -10.041 -3.127 1.00 0.00 C ATOM 436 O ASP A 31 -0.604 -9.769 -3.981 1.00 0.00 O ATOM 437 CB ASP A 31 1.157 -12.351 -2.836 1.00 0.00 C ATOM 438 CG ASP A 31 0.210 -13.193 -3.669 1.00 0.00 C ATOM 439 OD1 ASP A 31 -1.003 -12.897 -3.667 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.681 -14.147 -4.322 1.00 0.00 O ATOM 0 H ASP A 31 3.069 -10.928 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 31 1.478 -11.072 -4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.107 -12.875 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.746 -12.231 -1.834 1.00 0.00 H new ATOM 445 N MET A 32 0.200 -9.558 -1.890 1.00 0.00 N ATOM 446 CA MET A 32 -0.862 -8.658 -1.455 1.00 0.00 C ATOM 447 C MET A 32 -0.894 -7.399 -2.316 1.00 0.00 C ATOM 448 O MET A 32 -1.847 -7.167 -3.061 1.00 0.00 O ATOM 449 CB MET A 32 -0.671 -8.280 0.015 1.00 0.00 C ATOM 450 CG MET A 32 -1.364 -9.227 0.981 1.00 0.00 C ATOM 451 SD MET A 32 -0.984 -8.862 2.705 1.00 0.00 S ATOM 452 CE MET A 32 0.428 -9.930 2.974 1.00 0.00 C ATOM 0 H MET A 32 0.890 -9.774 -1.171 1.00 0.00 H new ATOM 0 HA MET A 32 -1.813 -9.178 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.395 -8.260 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.050 -7.270 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.442 -9.168 0.830 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.066 -10.251 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.230 -10.589 3.819 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.607 -10.529 2.081 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.308 -9.323 3.186 1.00 0.00 H new ATOM 462 N LEU A 33 0.153 -6.588 -2.209 1.00 0.00 N ATOM 463 CA LEU A 33 0.246 -5.352 -2.978 1.00 0.00 C ATOM 464 C LEU A 33 0.259 -5.641 -4.475 1.00 0.00 C ATOM 465 O LEU A 33 -0.263 -4.863 -5.273 1.00 0.00 O ATOM 466 CB LEU A 33 1.505 -4.577 -2.585 1.00 0.00 C ATOM 467 CG LEU A 33 1.705 -4.335 -1.089 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.995 -3.570 -0.840 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.516 -3.583 -0.507 1.00 0.00 C ATOM 0 H LEU A 33 0.950 -6.764 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.631 -4.746 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.373 -5.117 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.485 -3.611 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 33 1.778 -5.302 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.121 -3.407 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.839 -4.146 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.952 -2.608 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.675 -3.419 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.412 -2.622 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.392 -4.169 -0.652 1.00 0.00 H new ATOM 481 N GLY A 34 0.858 -6.768 -4.850 1.00 0.00 N ATOM 482 CA GLY A 34 0.926 -7.142 -6.251 1.00 0.00 C ATOM 483 C GLY A 34 2.126 -6.540 -6.953 1.00 0.00 C ATOM 484 O GLY A 34 2.061 -6.211 -8.138 1.00 0.00 O ATOM 0 H GLY A 34 1.297 -7.428 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.968 -8.228 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.015 -6.820 -6.755 1.00 0.00 H new ATOM 488 N VAL A 35 3.226 -6.392 -6.222 1.00 0.00 N ATOM 489 CA VAL A 35 4.447 -5.825 -6.782 1.00 0.00 C ATOM 490 C VAL A 35 5.591 -6.832 -6.739 1.00 0.00 C ATOM 491 O VAL A 35 5.450 -7.926 -6.193 1.00 0.00 O ATOM 492 CB VAL A 35 4.871 -4.551 -6.028 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.870 -3.431 -6.267 1.00 0.00 C ATOM 494 CG2 VAL A 35 5.019 -4.836 -4.541 1.00 0.00 C ATOM 0 H VAL A 35 3.297 -6.657 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 35 4.230 -5.570 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 35 5.839 -4.229 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.186 -2.539 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.819 -3.210 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.887 -3.740 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.319 -3.925 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.067 -5.184 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.778 -5.604 -4.392 1.00 0.00 H new ATOM 504 N LYS A 36 6.725 -6.455 -7.319 1.00 0.00 N ATOM 505 CA LYS A 36 7.896 -7.324 -7.347 1.00 0.00 C ATOM 506 C LYS A 36 8.907 -6.908 -6.283 1.00 0.00 C ATOM 507 O LYS A 36 8.988 -5.744 -5.891 1.00 0.00 O ATOM 508 CB LYS A 36 8.551 -7.287 -8.730 1.00 0.00 C ATOM 509 CG LYS A 36 9.185 -5.949 -9.067 1.00 0.00 C ATOM 510 CD LYS A 36 8.242 -5.073 -9.875 1.00 0.00 C ATOM 511 CE LYS A 36 8.314 -5.398 -11.359 1.00 0.00 C ATOM 512 NZ LYS A 36 9.418 -4.663 -12.035 1.00 0.00 N ATOM 0 H LYS A 36 6.858 -5.553 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 36 7.568 -8.341 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.313 -8.064 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.801 -7.524 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.462 -5.435 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.104 -6.112 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.221 -5.212 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.494 -4.024 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.459 -6.470 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.366 -5.144 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.433 -4.912 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.267 -3.639 -11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.326 -4.924 -11.600 1.00 0.00 H new ATOM 526 N PRO A 37 9.697 -7.881 -5.804 1.00 0.00 N ATOM 527 CA PRO A 37 10.718 -7.639 -4.780 1.00 0.00 C ATOM 528 C PRO A 37 11.887 -6.816 -5.311 1.00 0.00 C ATOM 529 O PRO A 37 12.605 -7.248 -6.211 1.00 0.00 O ATOM 530 CB PRO A 37 11.183 -9.048 -4.404 1.00 0.00 C ATOM 531 CG PRO A 37 10.894 -9.877 -5.608 1.00 0.00 C ATOM 532 CD PRO A 37 9.655 -9.291 -6.226 1.00 0.00 C ATOM 0 HA PRO A 37 10.326 -7.066 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.245 -9.062 -4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.650 -9.421 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.729 -9.852 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.738 -10.921 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.664 -9.386 -7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.754 -9.790 -5.870 1.00 0.00 H new ATOM 540 N GLY A 38 12.072 -5.627 -4.745 1.00 0.00 N ATOM 541 CA GLY A 38 13.155 -4.762 -5.174 1.00 0.00 C ATOM 542 C GLY A 38 12.673 -3.382 -5.574 1.00 0.00 C ATOM 543 O GLY A 38 13.466 -2.448 -5.687 1.00 0.00 O ATOM 0 H GLY A 38 11.491 -5.248 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.883 -4.669 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.670 -5.222 -6.017 1.00 0.00 H new ATOM 547 N ALA A 39 11.368 -3.253 -5.789 1.00 0.00 N ATOM 548 CA ALA A 39 10.780 -1.977 -6.178 1.00 0.00 C ATOM 549 C ALA A 39 11.091 -0.893 -5.151 1.00 0.00 C ATOM 550 O ALA A 39 11.598 -1.180 -4.067 1.00 0.00 O ATOM 551 CB ALA A 39 9.276 -2.121 -6.358 1.00 0.00 C ATOM 0 H ALA A 39 10.698 -4.017 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 39 11.221 -1.677 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.851 -1.160 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.071 -2.858 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.827 -2.448 -5.420 1.00 0.00 H new ATOM 557 N SER A 40 10.785 0.352 -5.500 1.00 0.00 N ATOM 558 CA SER A 40 11.036 1.479 -4.610 1.00 0.00 C ATOM 559 C SER A 40 9.732 2.002 -4.015 1.00 0.00 C ATOM 560 O SER A 40 8.645 1.562 -4.390 1.00 0.00 O ATOM 561 CB SER A 40 11.752 2.602 -5.363 1.00 0.00 C ATOM 562 OG SER A 40 13.159 2.453 -5.281 1.00 0.00 O ATOM 0 H SER A 40 10.363 0.606 -6.393 1.00 0.00 H new ATOM 0 HA SER A 40 11.674 1.132 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.443 2.598 -6.408 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.460 3.567 -4.948 1.00 0.00 H new ATOM 0 HG SER A 40 13.594 3.181 -5.771 1.00 0.00 H new ATOM 568 N ARG A 41 9.849 2.944 -3.084 1.00 0.00 N ATOM 569 CA ARG A 41 8.681 3.527 -2.436 1.00 0.00 C ATOM 570 C ARG A 41 7.632 3.931 -3.467 1.00 0.00 C ATOM 571 O ARG A 41 6.436 3.717 -3.267 1.00 0.00 O ATOM 572 CB ARG A 41 9.088 4.744 -1.603 1.00 0.00 C ATOM 573 CG ARG A 41 7.937 5.364 -0.827 1.00 0.00 C ATOM 574 CD ARG A 41 8.354 6.663 -0.155 1.00 0.00 C ATOM 575 NE ARG A 41 7.443 7.037 0.924 1.00 0.00 N ATOM 576 CZ ARG A 41 7.791 7.816 1.942 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.022 8.300 2.020 1.00 0.00 N ATOM 578 NH2 ARG A 41 6.905 8.113 2.885 1.00 0.00 N ATOM 0 H ARG A 41 10.741 3.319 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 41 8.248 2.773 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.870 4.449 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.518 5.498 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.102 5.554 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.584 4.660 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.363 6.558 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.385 7.461 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 41 6.488 6.681 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.705 8.075 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.286 8.898 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.956 7.743 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.173 8.711 3.666 1.00 0.00 H new ATOM 592 N ASP A 42 8.087 4.517 -4.569 1.00 0.00 N ATOM 593 CA ASP A 42 7.188 4.951 -5.632 1.00 0.00 C ATOM 594 C ASP A 42 6.331 3.790 -6.126 1.00 0.00 C ATOM 595 O ASP A 42 5.121 3.930 -6.299 1.00 0.00 O ATOM 596 CB ASP A 42 7.987 5.543 -6.794 1.00 0.00 C ATOM 597 CG ASP A 42 7.168 6.510 -7.626 1.00 0.00 C ATOM 598 OD1 ASP A 42 5.967 6.241 -7.838 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.728 7.536 -8.066 1.00 0.00 O ATOM 0 H ASP A 42 9.074 4.702 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 42 6.529 5.719 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.865 6.058 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.349 4.736 -7.431 1.00 0.00 H new ATOM 604 N GLU A 43 6.968 2.645 -6.352 1.00 0.00 N ATOM 605 CA GLU A 43 6.262 1.461 -6.828 1.00 0.00 C ATOM 606 C GLU A 43 5.288 0.946 -5.772 1.00 0.00 C ATOM 607 O GLU A 43 4.080 0.892 -6.000 1.00 0.00 O ATOM 608 CB GLU A 43 7.259 0.361 -7.197 1.00 0.00 C ATOM 609 CG GLU A 43 7.705 0.405 -8.649 1.00 0.00 C ATOM 610 CD GLU A 43 6.546 0.271 -9.619 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.900 1.298 -9.915 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.286 -0.859 -10.080 1.00 0.00 O ATOM 0 H GLU A 43 7.970 2.512 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 43 5.694 1.740 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.135 0.446 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.807 -0.610 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.225 1.344 -8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.420 -0.397 -8.830 1.00 0.00 H new ATOM 619 N VAL A 44 5.823 0.570 -4.615 1.00 0.00 N ATOM 620 CA VAL A 44 5.003 0.060 -3.523 1.00 0.00 C ATOM 621 C VAL A 44 3.782 0.944 -3.294 1.00 0.00 C ATOM 622 O VAL A 44 2.685 0.451 -3.038 1.00 0.00 O ATOM 623 CB VAL A 44 5.807 -0.035 -2.213 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.893 -0.386 -1.049 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.927 -1.056 -2.349 1.00 0.00 C ATOM 0 H VAL A 44 6.821 0.609 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 44 4.676 -0.939 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 44 6.255 0.938 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.479 -0.449 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.130 0.385 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.414 -1.346 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.485 -1.110 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.502 -2.034 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.597 -0.756 -3.155 1.00 0.00 H new ATOM 635 N ASN A 45 3.982 2.255 -3.388 1.00 0.00 N ATOM 636 CA ASN A 45 2.897 3.210 -3.190 1.00 0.00 C ATOM 637 C ASN A 45 1.936 3.194 -4.375 1.00 0.00 C ATOM 638 O ASN A 45 0.718 3.209 -4.201 1.00 0.00 O ATOM 639 CB ASN A 45 3.460 4.619 -2.994 1.00 0.00 C ATOM 640 CG ASN A 45 3.925 4.863 -1.572 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.431 4.243 -0.630 1.00 0.00 O ATOM 642 ND2 ASN A 45 4.881 5.770 -1.410 1.00 0.00 N ATOM 0 H ASN A 45 4.885 2.680 -3.600 1.00 0.00 H new ATOM 0 HA ASN A 45 2.347 2.918 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.295 4.772 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.696 5.352 -3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.235 5.977 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.262 6.260 -2.220 1.00 0.00 H new ATOM 649 N LYS A 46 2.493 3.163 -5.581 1.00 0.00 N ATOM 650 CA LYS A 46 1.688 3.143 -6.796 1.00 0.00 C ATOM 651 C LYS A 46 0.742 1.946 -6.803 1.00 0.00 C ATOM 652 O LYS A 46 -0.459 2.092 -7.027 1.00 0.00 O ATOM 653 CB LYS A 46 2.591 3.099 -8.031 1.00 0.00 C ATOM 654 CG LYS A 46 1.984 3.767 -9.253 1.00 0.00 C ATOM 655 CD LYS A 46 0.935 2.883 -9.908 1.00 0.00 C ATOM 656 CE LYS A 46 0.080 3.668 -10.891 1.00 0.00 C ATOM 657 NZ LYS A 46 0.657 3.652 -12.264 1.00 0.00 N ATOM 0 H LYS A 46 3.500 3.151 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 46 1.092 4.055 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.538 3.584 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.816 2.059 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.532 4.716 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.770 3.995 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.425 2.059 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.298 2.443 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.925 3.247 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.014 4.699 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.045 4.198 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.606 4.077 -12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.723 2.670 -12.601 1.00 0.00 H new ATOM 671 N ALA A 47 1.292 0.762 -6.554 1.00 0.00 N ATOM 672 CA ALA A 47 0.497 -0.460 -6.527 1.00 0.00 C ATOM 673 C ALA A 47 -0.447 -0.474 -5.330 1.00 0.00 C ATOM 674 O ALA A 47 -1.621 -0.824 -5.458 1.00 0.00 O ATOM 675 CB ALA A 47 1.405 -1.680 -6.500 1.00 0.00 C ATOM 0 H ALA A 47 2.285 0.623 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.107 -0.491 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.798 -2.585 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.034 -1.685 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.034 -1.646 -5.611 1.00 0.00 H new ATOM 681 N TYR A 48 0.072 -0.093 -4.169 1.00 0.00 N ATOM 682 CA TYR A 48 -0.725 -0.065 -2.948 1.00 0.00 C ATOM 683 C TYR A 48 -1.983 0.776 -3.138 1.00 0.00 C ATOM 684 O TYR A 48 -3.066 0.404 -2.686 1.00 0.00 O ATOM 685 CB TYR A 48 0.102 0.489 -1.787 1.00 0.00 C ATOM 686 CG TYR A 48 -0.728 1.175 -0.725 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.130 2.496 -0.875 1.00 0.00 C ATOM 688 CD2 TYR A 48 -1.111 0.501 0.428 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.887 3.127 0.092 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.870 1.123 1.400 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.255 2.436 1.228 1.00 0.00 C ATOM 692 OH TYR A 48 -3.011 3.060 2.194 1.00 0.00 O ATOM 0 H TYR A 48 1.041 0.201 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.025 -1.087 -2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.661 -0.327 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.833 1.196 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.845 3.039 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.810 -0.527 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.189 4.155 -0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.160 0.584 2.290 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.879 2.612 2.270 1.00 0.00 H new ATOM 702 N ARG A 49 -1.832 1.912 -3.810 1.00 0.00 N ATOM 703 CA ARG A 49 -2.955 2.808 -4.060 1.00 0.00 C ATOM 704 C ARG A 49 -4.030 2.113 -4.890 1.00 0.00 C ATOM 705 O ARG A 49 -5.185 2.017 -4.474 1.00 0.00 O ATOM 706 CB ARG A 49 -2.477 4.070 -4.780 1.00 0.00 C ATOM 707 CG ARG A 49 -1.835 5.092 -3.856 1.00 0.00 C ATOM 708 CD ARG A 49 -1.438 6.353 -4.609 1.00 0.00 C ATOM 709 NE ARG A 49 -1.085 7.442 -3.703 1.00 0.00 N ATOM 710 CZ ARG A 49 -1.968 8.089 -2.951 1.00 0.00 C ATOM 711 NH1 ARG A 49 -3.251 7.756 -2.996 1.00 0.00 N ATOM 712 NH2 ARG A 49 -1.569 9.070 -2.152 1.00 0.00 N ATOM 0 H ARG A 49 -0.943 2.234 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.386 3.087 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.760 3.789 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.324 4.532 -5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.530 5.348 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.954 4.656 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.592 6.135 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.262 6.667 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.106 7.721 -3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.561 7.002 -3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.928 8.254 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.583 9.328 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.248 9.566 -1.575 1.00 0.00 H new ATOM 726 N LYS A 50 -3.643 1.630 -6.065 1.00 0.00 N ATOM 727 CA LYS A 50 -4.573 0.942 -6.954 1.00 0.00 C ATOM 728 C LYS A 50 -5.386 -0.099 -6.192 1.00 0.00 C ATOM 729 O LYS A 50 -6.601 -0.201 -6.365 1.00 0.00 O ATOM 730 CB LYS A 50 -3.813 0.272 -8.101 1.00 0.00 C ATOM 731 CG LYS A 50 -2.974 1.236 -8.921 1.00 0.00 C ATOM 732 CD LYS A 50 -2.344 0.547 -10.120 1.00 0.00 C ATOM 733 CE LYS A 50 -0.957 0.015 -9.791 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.002 -1.397 -9.320 1.00 0.00 N ATOM 0 H LYS A 50 -2.691 1.702 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.259 1.683 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.165 -0.503 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.527 -0.224 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.597 2.063 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.192 1.663 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.982 -0.274 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.278 1.249 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.323 0.083 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.501 0.640 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.033 -1.766 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.470 -1.439 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.534 -1.974 -10.003 1.00 0.00 H new ATOM 748 N LEU A 51 -4.709 -0.868 -5.346 1.00 0.00 N ATOM 749 CA LEU A 51 -5.370 -1.901 -4.555 1.00 0.00 C ATOM 750 C LEU A 51 -6.293 -1.280 -3.512 1.00 0.00 C ATOM 751 O LEU A 51 -7.491 -1.559 -3.485 1.00 0.00 O ATOM 752 CB LEU A 51 -4.330 -2.788 -3.869 1.00 0.00 C ATOM 753 CG LEU A 51 -4.826 -4.150 -3.383 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.379 -4.963 -4.543 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.706 -4.908 -2.685 1.00 0.00 C ATOM 0 H LEU A 51 -3.704 -0.796 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.972 -2.511 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.506 -2.950 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.925 -2.245 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.630 -3.986 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.727 -5.929 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.211 -4.427 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.596 -5.117 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.077 -5.875 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.881 -5.060 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.356 -4.333 -1.828 1.00 0.00 H new ATOM 767 N ALA A 52 -5.727 -0.435 -2.656 1.00 0.00 N ATOM 768 CA ALA A 52 -6.501 0.228 -1.614 1.00 0.00 C ATOM 769 C ALA A 52 -7.817 0.766 -2.165 1.00 0.00 C ATOM 770 O ALA A 52 -8.872 0.601 -1.552 1.00 0.00 O ATOM 771 CB ALA A 52 -5.689 1.354 -0.990 1.00 0.00 C ATOM 0 H ALA A 52 -4.736 -0.194 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.734 -0.508 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.279 1.841 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.778 0.946 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.428 2.083 -1.757 1.00 0.00 H new ATOM 777 N VAL A 53 -7.748 1.410 -3.326 1.00 0.00 N ATOM 778 CA VAL A 53 -8.935 1.972 -3.960 1.00 0.00 C ATOM 779 C VAL A 53 -9.964 0.887 -4.259 1.00 0.00 C ATOM 780 O VAL A 53 -11.170 1.121 -4.176 1.00 0.00 O ATOM 781 CB VAL A 53 -8.580 2.702 -5.269 1.00 0.00 C ATOM 782 CG1 VAL A 53 -9.832 3.267 -5.922 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.562 3.802 -5.006 1.00 0.00 C ATOM 0 H VAL A 53 -6.883 1.555 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.360 2.688 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.134 1.983 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.561 3.779 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.523 2.455 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.310 3.973 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.323 4.307 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.978 4.522 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.655 3.366 -4.587 1.00 0.00 H new ATOM 793 N LEU A 54 -9.480 -0.300 -4.605 1.00 0.00 N ATOM 794 CA LEU A 54 -10.358 -1.423 -4.916 1.00 0.00 C ATOM 795 C LEU A 54 -10.888 -2.069 -3.640 1.00 0.00 C ATOM 796 O LEU A 54 -11.998 -2.602 -3.616 1.00 0.00 O ATOM 797 CB LEU A 54 -9.612 -2.462 -5.756 1.00 0.00 C ATOM 798 CG LEU A 54 -10.460 -3.601 -6.323 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.449 -3.070 -7.349 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.571 -4.671 -6.940 1.00 0.00 C ATOM 0 H LEU A 54 -8.485 -0.510 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.205 -1.043 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.127 -1.948 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.821 -2.895 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.023 -4.052 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.044 -3.895 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.107 -2.341 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.906 -2.594 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.191 -5.474 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.981 -4.234 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.903 -5.073 -6.178 1.00 0.00 H new ATOM 812 N LEU A 55 -10.088 -2.017 -2.581 1.00 0.00 N ATOM 813 CA LEU A 55 -10.477 -2.596 -1.299 1.00 0.00 C ATOM 814 C LEU A 55 -10.978 -1.517 -0.345 1.00 0.00 C ATOM 815 O LEU A 55 -11.224 -1.781 0.833 1.00 0.00 O ATOM 816 CB LEU A 55 -9.295 -3.338 -0.673 1.00 0.00 C ATOM 817 CG LEU A 55 -8.585 -4.350 -1.573 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.236 -4.734 -0.984 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.451 -5.585 -1.776 1.00 0.00 C ATOM 0 H LEU A 55 -9.166 -1.580 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.288 -3.302 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.564 -2.601 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.649 -3.859 0.217 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.416 -3.886 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.745 -5.455 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.613 -3.845 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.382 -5.178 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.929 -6.294 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.653 -6.051 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.393 -5.296 -2.243 1.00 0.00 H new ATOM 831 N HIS A 56 -11.130 -0.301 -0.861 1.00 0.00 N ATOM 832 CA HIS A 56 -11.605 0.817 -0.054 1.00 0.00 C ATOM 833 C HIS A 56 -12.900 0.456 0.667 1.00 0.00 C ATOM 834 O HIS A 56 -13.765 -0.237 0.130 1.00 0.00 O ATOM 835 CB HIS A 56 -11.824 2.050 -0.933 1.00 0.00 C ATOM 836 CG HIS A 56 -11.528 3.342 -0.236 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.475 4.323 -0.036 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.381 3.811 0.311 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.924 5.341 0.602 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.654 5.055 0.825 1.00 0.00 N ATOM 0 H HIS A 56 -10.931 -0.065 -1.833 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.845 1.042 0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.193 1.972 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.858 2.061 -1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.429 3.302 0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.427 6.252 0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.985 5.660 1.301 1.00 0.00 H new ATOM 848 N PRO A 57 -13.038 0.935 1.912 1.00 0.00 N ATOM 849 CA PRO A 57 -14.225 0.675 2.733 1.00 0.00 C ATOM 850 C PRO A 57 -15.461 1.400 2.212 1.00 0.00 C ATOM 851 O PRO A 57 -16.562 0.850 2.216 1.00 0.00 O ATOM 852 CB PRO A 57 -13.828 1.215 4.110 1.00 0.00 C ATOM 853 CG PRO A 57 -12.794 2.249 3.827 1.00 0.00 C ATOM 854 CD PRO A 57 -12.047 1.768 2.614 1.00 0.00 C ATOM 0 HA PRO A 57 -14.496 -0.381 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.685 1.644 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.433 0.424 4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.254 3.220 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.122 2.371 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.709 2.599 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.162 1.194 2.888 1.00 0.00 H new ATOM 862 N ASP A 58 -15.271 2.636 1.763 1.00 0.00 N ATOM 863 CA ASP A 58 -16.371 3.435 1.237 1.00 0.00 C ATOM 864 C ASP A 58 -16.714 3.016 -0.189 1.00 0.00 C ATOM 865 O ASP A 58 -17.650 3.540 -0.793 1.00 0.00 O ATOM 866 CB ASP A 58 -16.011 4.922 1.272 1.00 0.00 C ATOM 867 CG ASP A 58 -17.236 5.815 1.249 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.246 5.452 1.887 1.00 0.00 O ATOM 869 OD2 ASP A 58 -17.184 6.876 0.592 1.00 0.00 O ATOM 0 H ASP A 58 -14.366 3.106 1.753 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.245 3.265 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.429 5.131 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.376 5.159 0.418 1.00 0.00 H new ATOM 874 N LYS A 59 -15.951 2.067 -0.721 1.00 0.00 N ATOM 875 CA LYS A 59 -16.174 1.576 -2.076 1.00 0.00 C ATOM 876 C LYS A 59 -16.523 0.091 -2.065 1.00 0.00 C ATOM 877 O LYS A 59 -17.249 -0.391 -2.935 1.00 0.00 O ATOM 878 CB LYS A 59 -14.931 1.813 -2.937 1.00 0.00 C ATOM 879 CG LYS A 59 -14.490 3.265 -2.982 1.00 0.00 C ATOM 880 CD LYS A 59 -13.174 3.426 -3.725 1.00 0.00 C ATOM 881 CE LYS A 59 -12.639 4.845 -3.611 1.00 0.00 C ATOM 882 NZ LYS A 59 -11.151 4.883 -3.659 1.00 0.00 N ATOM 0 H LYS A 59 -15.173 1.622 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.013 2.125 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.112 1.205 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.132 1.472 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.259 3.865 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.384 3.646 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.441 2.726 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.315 3.173 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.044 5.452 -4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.984 5.289 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.790 5.392 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.779 3.912 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.844 5.372 -4.524 1.00 0.00 H new ATOM 896 N CYS A 60 -16.002 -0.627 -1.077 1.00 0.00 N ATOM 897 CA CYS A 60 -16.260 -2.058 -0.953 1.00 0.00 C ATOM 898 C CYS A 60 -16.843 -2.389 0.417 1.00 0.00 C ATOM 899 O CYS A 60 -16.129 -2.412 1.419 1.00 0.00 O ATOM 900 CB CYS A 60 -14.971 -2.850 -1.177 1.00 0.00 C ATOM 901 SG CYS A 60 -15.219 -4.449 -1.984 1.00 0.00 S ATOM 0 H CYS A 60 -15.399 -0.243 -0.350 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.988 -2.339 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.290 -2.251 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.485 -3.012 -0.215 1.00 0.00 H new ATOM 0 HG CYS A 60 -14.301 -5.281 -1.590 1.00 0.00 H new ATOM 907 N VAL A 61 -18.148 -2.643 0.453 1.00 0.00 N ATOM 908 CA VAL A 61 -18.828 -2.972 1.700 1.00 0.00 C ATOM 909 C VAL A 61 -18.697 -4.457 2.022 1.00 0.00 C ATOM 910 O VAL A 61 -19.422 -4.986 2.864 1.00 0.00 O ATOM 911 CB VAL A 61 -20.322 -2.601 1.639 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.492 -1.107 1.407 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.025 -3.401 0.553 1.00 0.00 C ATOM 0 H VAL A 61 -18.755 -2.627 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.348 -2.389 2.486 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.780 -2.850 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.554 -0.864 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.024 -0.556 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.020 -0.829 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.079 -3.126 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.567 -3.185 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.933 -4.466 0.768 1.00 0.00 H new ATOM 923 N ALA A 62 -17.768 -5.124 1.345 1.00 0.00 N ATOM 924 CA ALA A 62 -17.540 -6.547 1.561 1.00 0.00 C ATOM 925 C ALA A 62 -17.060 -6.817 2.983 1.00 0.00 C ATOM 926 O ALA A 62 -16.473 -5.957 3.639 1.00 0.00 O ATOM 927 CB ALA A 62 -16.533 -7.079 0.552 1.00 0.00 C ATOM 0 H ALA A 62 -17.161 -4.701 0.642 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.488 -7.067 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.372 -8.143 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.916 -6.929 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.589 -6.546 0.665 1.00 0.00 H new ATOM 933 N PRO A 63 -17.316 -8.039 3.473 1.00 0.00 N ATOM 934 CA PRO A 63 -16.918 -8.450 4.822 1.00 0.00 C ATOM 935 C PRO A 63 -15.407 -8.604 4.960 1.00 0.00 C ATOM 936 O PRO A 63 -14.850 -8.410 6.039 1.00 0.00 O ATOM 937 CB PRO A 63 -17.611 -9.804 5.000 1.00 0.00 C ATOM 938 CG PRO A 63 -17.790 -10.322 3.614 1.00 0.00 C ATOM 939 CD PRO A 63 -18.012 -9.115 2.746 1.00 0.00 C ATOM 0 HA PRO A 63 -17.198 -7.710 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.006 -10.483 5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.569 -9.695 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.912 -10.880 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.639 -11.004 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.600 -9.257 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.073 -8.897 2.625 1.00 0.00 H new ATOM 947 N GLY A 64 -14.749 -8.952 3.858 1.00 0.00 N ATOM 948 CA GLY A 64 -13.308 -9.125 3.878 1.00 0.00 C ATOM 949 C GLY A 64 -12.569 -7.876 3.442 1.00 0.00 C ATOM 950 O GLY A 64 -11.447 -7.625 3.882 1.00 0.00 O ATOM 0 H GLY A 64 -15.188 -9.117 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.992 -9.398 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.035 -9.952 3.223 1.00 0.00 H new ATOM 954 N SER A 65 -13.197 -7.092 2.572 1.00 0.00 N ATOM 955 CA SER A 65 -12.588 -5.865 2.071 1.00 0.00 C ATOM 956 C SER A 65 -11.902 -5.100 3.198 1.00 0.00 C ATOM 957 O SER A 65 -10.865 -4.469 2.992 1.00 0.00 O ATOM 958 CB SER A 65 -13.646 -4.980 1.409 1.00 0.00 C ATOM 959 OG SER A 65 -14.597 -4.525 2.356 1.00 0.00 O ATOM 0 H SER A 65 -14.127 -7.284 2.199 1.00 0.00 H new ATOM 0 HA SER A 65 -11.836 -6.137 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.164 -4.126 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.151 -5.539 0.622 1.00 0.00 H new ATOM 0 HG SER A 65 -15.042 -5.295 2.768 1.00 0.00 H new ATOM 965 N GLU A 66 -12.488 -5.161 4.390 1.00 0.00 N ATOM 966 CA GLU A 66 -11.933 -4.473 5.550 1.00 0.00 C ATOM 967 C GLU A 66 -10.593 -5.080 5.952 1.00 0.00 C ATOM 968 O GLU A 66 -9.586 -4.378 6.054 1.00 0.00 O ATOM 969 CB GLU A 66 -12.910 -4.540 6.725 1.00 0.00 C ATOM 970 CG GLU A 66 -12.330 -4.018 8.029 1.00 0.00 C ATOM 971 CD GLU A 66 -12.922 -4.702 9.246 1.00 0.00 C ATOM 972 OE1 GLU A 66 -12.470 -5.817 9.580 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.837 -4.121 9.866 1.00 0.00 O ATOM 0 H GLU A 66 -13.346 -5.679 4.577 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.772 -3.429 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.802 -3.965 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.226 -5.574 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.250 -4.162 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.508 -2.945 8.098 1.00 0.00 H new ATOM 980 N ASP A 67 -10.587 -6.389 6.181 1.00 0.00 N ATOM 981 CA ASP A 67 -9.371 -7.092 6.572 1.00 0.00 C ATOM 982 C ASP A 67 -8.312 -6.995 5.479 1.00 0.00 C ATOM 983 O ASP A 67 -7.114 -6.989 5.760 1.00 0.00 O ATOM 984 CB ASP A 67 -9.679 -8.560 6.873 1.00 0.00 C ATOM 985 CG ASP A 67 -8.642 -9.195 7.778 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.092 -8.482 8.643 1.00 0.00 O ATOM 987 OD2 ASP A 67 -8.382 -10.406 7.622 1.00 0.00 O ATOM 0 H ASP A 67 -11.411 -6.985 6.102 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.981 -6.619 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.660 -8.634 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.730 -9.117 5.937 1.00 0.00 H new ATOM 992 N ALA A 68 -8.762 -6.922 4.231 1.00 0.00 N ATOM 993 CA ALA A 68 -7.854 -6.825 3.095 1.00 0.00 C ATOM 994 C ALA A 68 -7.007 -5.559 3.176 1.00 0.00 C ATOM 995 O ALA A 68 -5.777 -5.623 3.180 1.00 0.00 O ATOM 996 CB ALA A 68 -8.635 -6.856 1.790 1.00 0.00 C ATOM 0 H ALA A 68 -9.751 -6.928 3.981 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.183 -7.683 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.944 -6.783 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.192 -7.791 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.330 -6.017 1.762 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.672 -4.411 3.240 1.00 0.00 N ATOM 1003 CA PHE A 69 -6.979 -3.130 3.320 1.00 0.00 C ATOM 1004 C PHE A 69 -5.972 -3.126 4.466 1.00 0.00 C ATOM 1005 O PHE A 69 -4.808 -2.770 4.284 1.00 0.00 O ATOM 1006 CB PHE A 69 -7.986 -1.993 3.507 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.390 -0.627 3.314 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -6.357 -0.187 4.126 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.863 0.216 2.322 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -5.808 1.069 3.952 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.318 1.473 2.143 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.288 1.900 2.958 1.00 0.00 C ATOM 0 H PHE A 69 -8.690 -4.341 3.238 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.439 -2.979 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.807 -2.126 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.412 -2.057 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.977 -0.833 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.667 -0.113 1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.004 1.401 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.697 2.121 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.859 2.881 2.819 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.430 -3.524 5.649 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.571 -3.568 6.826 1.00 0.00 C ATOM 1024 C LYS A 70 -4.249 -4.260 6.510 1.00 0.00 C ATOM 1025 O LYS A 70 -3.176 -3.726 6.789 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.279 -4.295 7.972 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.122 -3.381 8.844 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.312 -4.117 9.436 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.877 -5.116 10.497 1.00 0.00 C ATOM 1030 NZ LYS A 70 -7.230 -4.445 11.659 1.00 0.00 N ATOM 0 H LYS A 70 -7.391 -3.821 5.817 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.360 -2.543 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.916 -5.076 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.532 -4.789 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.508 -2.975 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.473 -2.535 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.005 -3.398 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.850 -4.637 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.743 -5.681 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.182 -5.832 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.224 -5.091 12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.252 -4.190 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.761 -3.585 11.903 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.335 -5.451 5.926 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.145 -6.214 5.569 1.00 0.00 C ATOM 1046 C ALA A 71 -2.240 -5.416 4.637 1.00 0.00 C ATOM 1047 O ALA A 71 -1.049 -5.251 4.902 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.539 -7.534 4.923 1.00 0.00 C ATOM 0 H ALA A 71 -5.216 -5.908 5.690 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.589 -6.421 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.641 -8.093 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.139 -8.117 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.120 -7.339 4.022 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.813 -4.922 3.543 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.057 -4.140 2.572 1.00 0.00 C ATOM 1056 C VAL A 72 -1.094 -3.183 3.265 1.00 0.00 C ATOM 1057 O VAL A 72 0.059 -3.044 2.859 1.00 0.00 O ATOM 1058 CB VAL A 72 -2.992 -3.333 1.652 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.185 -2.479 0.686 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -3.931 -4.263 0.898 1.00 0.00 C ATOM 0 H VAL A 72 -3.797 -5.050 3.308 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.488 -4.849 1.970 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.595 -2.668 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.863 -1.916 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.559 -1.786 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.554 -3.122 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.584 -3.676 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.348 -4.955 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.535 -4.826 1.610 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.576 -2.526 4.315 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.758 -1.582 5.068 1.00 0.00 C ATOM 1072 C VAL A 73 0.442 -2.278 5.700 1.00 0.00 C ATOM 1073 O VAL A 73 1.585 -1.870 5.501 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.575 -0.887 6.172 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.678 -0.002 7.024 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.712 -0.079 5.564 1.00 0.00 C ATOM 0 H VAL A 73 -2.529 -2.630 4.664 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.408 -0.831 4.360 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.007 -1.653 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.273 0.481 7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.098 -0.610 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.215 0.759 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.279 0.406 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.303 0.679 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.369 -0.742 5.001 1.00 0.00 H new ATOM 1086 N ASN A 74 0.173 -3.332 6.464 1.00 0.00 N ATOM 1087 CA ASN A 74 1.231 -4.086 7.127 1.00 0.00 C ATOM 1088 C ASN A 74 2.277 -4.555 6.120 1.00 0.00 C ATOM 1089 O ASN A 74 3.464 -4.635 6.435 1.00 0.00 O ATOM 1090 CB ASN A 74 0.642 -5.290 7.865 1.00 0.00 C ATOM 1091 CG ASN A 74 0.542 -6.518 6.981 1.00 0.00 C ATOM 1092 OD1 ASN A 74 1.467 -6.836 6.234 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.585 -7.215 7.063 1.00 0.00 N ATOM 0 H ASN A 74 -0.768 -3.683 6.639 1.00 0.00 H new ATOM 0 HA ASN A 74 1.715 -3.428 7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.261 -5.520 8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.349 -5.034 8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.710 -8.051 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.326 -6.914 7.696 1.00 0.00 H new ATOM 1100 N ALA A 75 1.828 -4.863 4.908 1.00 0.00 N ATOM 1101 CA ALA A 75 2.725 -5.320 3.854 1.00 0.00 C ATOM 1102 C ALA A 75 3.431 -4.146 3.185 1.00 0.00 C ATOM 1103 O ALA A 75 4.598 -4.245 2.806 1.00 0.00 O ATOM 1104 CB ALA A 75 1.957 -6.134 2.824 1.00 0.00 C ATOM 0 H ALA A 75 0.848 -4.804 4.632 1.00 0.00 H new ATOM 0 HA ALA A 75 3.486 -5.955 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.639 -6.469 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.506 -7.000 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.175 -5.517 2.382 1.00 0.00 H new ATOM 1110 N ARG A 76 2.715 -3.035 3.042 1.00 0.00 N ATOM 1111 CA ARG A 76 3.272 -1.842 2.416 1.00 0.00 C ATOM 1112 C ARG A 76 4.271 -1.157 3.344 1.00 0.00 C ATOM 1113 O ARG A 76 5.453 -1.034 3.021 1.00 0.00 O ATOM 1114 CB ARG A 76 2.154 -0.867 2.043 1.00 0.00 C ATOM 1115 CG ARG A 76 2.656 0.423 1.415 1.00 0.00 C ATOM 1116 CD ARG A 76 1.761 1.600 1.769 1.00 0.00 C ATOM 1117 NE ARG A 76 2.382 2.880 1.438 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.068 4.025 2.032 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.146 4.051 2.984 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.678 5.148 1.676 1.00 0.00 N ATOM 0 H ARG A 76 1.748 -2.937 3.351 1.00 0.00 H new ATOM 0 HA ARG A 76 3.795 -2.148 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.472 -1.358 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.580 -0.626 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.672 0.623 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.698 0.309 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.814 1.508 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.532 1.573 2.834 1.00 0.00 H new ATOM 0 HE ARG A 76 3.096 2.895 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.676 3.190 3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.907 4.932 3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.389 5.132 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.436 6.027 2.133 1.00 0.00 H new ATOM 1134 N THR A 77 3.788 -0.712 4.500 1.00 0.00 N ATOM 1135 CA THR A 77 4.636 -0.038 5.474 1.00 0.00 C ATOM 1136 C THR A 77 5.894 -0.850 5.763 1.00 0.00 C ATOM 1137 O THR A 77 6.996 -0.306 5.818 1.00 0.00 O ATOM 1138 CB THR A 77 3.886 0.211 6.796 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.771 1.081 6.570 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.811 0.823 7.837 1.00 0.00 C ATOM 0 H THR A 77 2.813 -0.807 4.784 1.00 0.00 H new ATOM 0 HA THR A 77 4.917 0.921 5.038 1.00 0.00 H new ATOM 0 HB THR A 77 3.528 -0.748 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.298 1.233 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.258 0.990 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.643 0.145 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.196 1.774 7.468 1.00 0.00 H new ATOM 1148 N ALA A 78 5.721 -2.155 5.945 1.00 0.00 N ATOM 1149 CA ALA A 78 6.843 -3.043 6.224 1.00 0.00 C ATOM 1150 C ALA A 78 7.880 -2.986 5.107 1.00 0.00 C ATOM 1151 O ALA A 78 9.080 -2.876 5.365 1.00 0.00 O ATOM 1152 CB ALA A 78 6.352 -4.469 6.419 1.00 0.00 C ATOM 0 H ALA A 78 4.814 -2.621 5.904 1.00 0.00 H new ATOM 0 HA ALA A 78 7.320 -2.706 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.201 -5.121 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.655 -4.503 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.848 -4.807 5.514 1.00 0.00 H new ATOM 1158 N LEU A 79 7.411 -3.062 3.867 1.00 0.00 N ATOM 1159 CA LEU A 79 8.298 -3.020 2.710 1.00 0.00 C ATOM 1160 C LEU A 79 8.992 -1.666 2.605 1.00 0.00 C ATOM 1161 O LEU A 79 10.213 -1.593 2.454 1.00 0.00 O ATOM 1162 CB LEU A 79 7.511 -3.303 1.429 1.00 0.00 C ATOM 1163 CG LEU A 79 7.028 -4.742 1.242 1.00 0.00 C ATOM 1164 CD1 LEU A 79 6.054 -4.831 0.076 1.00 0.00 C ATOM 1165 CD2 LEU A 79 8.208 -5.677 1.025 1.00 0.00 C ATOM 0 H LEU A 79 6.422 -3.153 3.637 1.00 0.00 H new ATOM 0 HA LEU A 79 9.060 -3.789 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.643 -2.644 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.136 -3.037 0.576 1.00 0.00 H new ATOM 0 HG LEU A 79 6.507 -5.051 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.721 -5.862 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.193 -4.192 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.549 -4.503 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.845 -6.696 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.757 -5.370 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.869 -5.636 1.891 1.00 0.00 H new ATOM 1177 N LEU A 80 8.208 -0.597 2.688 1.00 0.00 N ATOM 1178 CA LEU A 80 8.748 0.756 2.605 1.00 0.00 C ATOM 1179 C LEU A 80 9.954 0.918 3.524 1.00 0.00 C ATOM 1180 O LEU A 80 10.984 1.463 3.126 1.00 0.00 O ATOM 1181 CB LEU A 80 7.672 1.779 2.971 1.00 0.00 C ATOM 1182 CG LEU A 80 6.463 1.844 2.037 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.457 2.871 2.537 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.902 2.173 0.618 1.00 0.00 C ATOM 0 H LEU A 80 7.197 -0.640 2.813 1.00 0.00 H new ATOM 0 HA LEU A 80 9.071 0.930 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.317 1.559 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.134 2.766 3.005 1.00 0.00 H new ATOM 0 HG LEU A 80 5.981 0.866 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.603 2.904 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.118 2.593 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.928 3.853 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.028 2.215 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.408 3.138 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.584 1.402 0.260 1.00 0.00 H new ATOM 1196 N LYS A 81 9.821 0.440 4.756 1.00 0.00 N ATOM 1197 CA LYS A 81 10.900 0.528 5.733 1.00 0.00 C ATOM 1198 C LYS A 81 12.217 0.046 5.133 1.00 0.00 C ATOM 1199 O LYS A 81 13.264 0.660 5.336 1.00 0.00 O ATOM 1200 CB LYS A 81 10.560 -0.299 6.975 1.00 0.00 C ATOM 1201 CG LYS A 81 9.447 0.299 7.818 1.00 0.00 C ATOM 1202 CD LYS A 81 9.516 -0.183 9.257 1.00 0.00 C ATOM 1203 CE LYS A 81 8.653 0.671 10.173 1.00 0.00 C ATOM 1204 NZ LYS A 81 9.322 1.952 10.530 1.00 0.00 N ATOM 0 H LYS A 81 8.975 -0.013 5.102 1.00 0.00 H new ATOM 0 HA LYS A 81 11.013 1.573 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.270 -1.303 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.455 -0.401 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.516 1.387 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.481 0.031 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.188 -1.221 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.550 -0.157 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.702 0.882 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.427 0.114 11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.702 2.505 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.217 1.751 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.515 2.496 9.665 1.00 0.00 H new ATOM 1218 N ASN A 82 12.157 -1.056 4.393 1.00 0.00 N ATOM 1219 CA ASN A 82 13.346 -1.620 3.763 1.00 0.00 C ATOM 1220 C ASN A 82 13.818 -0.740 2.609 1.00 0.00 C ATOM 1221 O ASN A 82 15.015 -0.652 2.333 1.00 0.00 O ATOM 1222 CB ASN A 82 13.057 -3.034 3.256 1.00 0.00 C ATOM 1223 CG ASN A 82 14.312 -3.881 3.160 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.622 -4.435 2.106 1.00 0.00 O ATOM 1225 ND2 ASN A 82 15.041 -3.985 4.266 1.00 0.00 N ATOM 0 H ASN A 82 11.298 -1.576 4.215 1.00 0.00 H new ATOM 0 HA ASN A 82 14.138 -1.664 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.345 -3.518 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.585 -2.976 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.896 -4.542 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.746 -3.508 5.118 1.00 0.00 H new ATOM 1232 N ILE A 83 12.871 -0.092 1.940 1.00 0.00 N ATOM 1233 CA ILE A 83 13.191 0.782 0.818 1.00 0.00 C ATOM 1234 C ILE A 83 14.258 1.801 1.202 1.00 0.00 C ATOM 1235 O ILE A 83 14.283 2.296 2.329 1.00 0.00 O ATOM 1236 CB ILE A 83 11.942 1.528 0.312 1.00 0.00 C ATOM 1237 CG1 ILE A 83 10.834 0.533 -0.039 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.291 2.388 -0.893 1.00 0.00 C ATOM 1239 CD1 ILE A 83 11.195 -0.395 -1.178 1.00 0.00 C ATOM 0 H ILE A 83 11.876 -0.155 2.155 1.00 0.00 H new ATOM 0 HA ILE A 83 13.572 0.145 0.020 1.00 0.00 H new ATOM 0 HB ILE A 83 11.580 2.180 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.598 -0.062 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.931 1.084 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.398 2.909 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.051 3.117 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.675 1.755 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.364 -1.073 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 83 11.402 0.191 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.079 -0.973 -0.910 1.00 0.00 H new ATOM 1251 N LYS A 84 15.138 2.112 0.256 1.00 0.00 N ATOM 1252 CA LYS A 84 16.207 3.075 0.492 1.00 0.00 C ATOM 1253 C LYS A 84 15.658 4.357 1.109 1.00 0.00 C ATOM 1254 O LYS A 84 16.155 4.828 2.132 1.00 0.00 O ATOM 1255 CB LYS A 84 16.931 3.396 -0.818 1.00 0.00 C ATOM 1256 CG LYS A 84 18.387 3.783 -0.629 1.00 0.00 C ATOM 1257 CD LYS A 84 18.525 5.223 -0.164 1.00 0.00 C ATOM 1258 CE LYS A 84 18.426 6.197 -1.329 1.00 0.00 C ATOM 1259 NZ LYS A 84 19.758 6.479 -1.932 1.00 0.00 N ATOM 0 H LYS A 84 15.132 1.711 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 84 16.915 2.630 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 84 16.877 2.528 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.410 4.210 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.849 3.118 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.925 3.650 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.747 5.447 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.482 5.353 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.763 5.786 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.978 7.130 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.647 7.146 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.384 6.895 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.175 5.593 -2.283 1.00 0.00 H new ATOM 1273 N SER A 85 14.629 4.917 0.481 1.00 0.00 N ATOM 1274 CA SER A 85 14.014 6.147 0.967 1.00 0.00 C ATOM 1275 C SER A 85 14.040 6.202 2.491 1.00 0.00 C ATOM 1276 O SER A 85 14.548 7.155 3.081 1.00 0.00 O ATOM 1277 CB SER A 85 12.572 6.253 0.467 1.00 0.00 C ATOM 1278 OG SER A 85 12.149 7.605 0.411 1.00 0.00 O ATOM 0 H SER A 85 14.204 4.539 -0.365 1.00 0.00 H new ATOM 0 HA SER A 85 14.589 6.989 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.493 5.803 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.913 5.690 1.127 1.00 0.00 H new ATOM 0 HG SER A 85 11.225 7.646 0.087 1.00 0.00 H new ATOM 1284 N GLY A 86 13.489 5.170 3.124 1.00 0.00 N ATOM 1285 CA GLY A 86 13.459 5.119 4.574 1.00 0.00 C ATOM 1286 C GLY A 86 14.771 5.555 5.197 1.00 0.00 C ATOM 1287 O GLY A 86 15.834 5.010 4.900 1.00 0.00 O ATOM 0 H GLY A 86 13.063 4.369 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.656 5.759 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.228 4.103 4.894 1.00 0.00 H new ATOM 1291 N PRO A 87 14.705 6.562 6.080 1.00 0.00 N ATOM 1292 CA PRO A 87 15.888 7.093 6.764 1.00 0.00 C ATOM 1293 C PRO A 87 16.463 6.110 7.778 1.00 0.00 C ATOM 1294 O PRO A 87 17.427 6.418 8.478 1.00 0.00 O ATOM 1295 CB PRO A 87 15.358 8.343 7.471 1.00 0.00 C ATOM 1296 CG PRO A 87 13.904 8.081 7.663 1.00 0.00 C ATOM 1297 CD PRO A 87 13.472 7.258 6.481 1.00 0.00 C ATOM 0 HA PRO A 87 16.704 7.293 6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.861 8.502 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.523 9.238 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.723 7.548 8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.343 9.014 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.683 6.555 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.084 7.883 5.677 1.00 0.00 H new ATOM 1305 N SER A 88 15.864 4.926 7.851 1.00 0.00 N ATOM 1306 CA SER A 88 16.314 3.898 8.783 1.00 0.00 C ATOM 1307 C SER A 88 17.118 2.823 8.059 1.00 0.00 C ATOM 1308 O SER A 88 17.025 2.678 6.840 1.00 0.00 O ATOM 1309 CB SER A 88 15.117 3.264 9.494 1.00 0.00 C ATOM 1310 OG SER A 88 14.331 2.506 8.591 1.00 0.00 O ATOM 0 H SER A 88 15.066 4.654 7.276 1.00 0.00 H new ATOM 0 HA SER A 88 16.958 4.371 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.468 2.623 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.505 4.043 9.948 1.00 0.00 H new ATOM 0 HG SER A 88 13.573 2.110 9.070 1.00 0.00 H new ATOM 1316 N SER A 89 17.908 2.070 8.818 1.00 0.00 N ATOM 1317 CA SER A 89 18.732 1.010 8.250 1.00 0.00 C ATOM 1318 C SER A 89 18.567 -0.287 9.037 1.00 0.00 C ATOM 1319 O SER A 89 18.598 -0.288 10.267 1.00 0.00 O ATOM 1320 CB SER A 89 20.203 1.429 8.238 1.00 0.00 C ATOM 1321 OG SER A 89 20.971 0.573 7.410 1.00 0.00 O ATOM 0 H SER A 89 17.995 2.175 9.829 1.00 0.00 H new ATOM 0 HA SER A 89 18.403 0.837 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.289 2.456 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.598 1.408 9.254 1.00 0.00 H new ATOM 0 HG SER A 89 21.907 0.863 7.418 1.00 0.00 H new ATOM 1327 N GLY A 90 18.393 -1.391 8.316 1.00 0.00 N ATOM 1328 CA GLY A 90 18.226 -2.679 8.963 1.00 0.00 C ATOM 1329 C GLY A 90 18.906 -3.801 8.204 1.00 0.00 C ATOM 1330 O GLY A 90 19.923 -4.333 8.649 1.00 0.00 O ATOM 0 H GLY A 90 18.365 -1.416 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.632 -2.630 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.163 -2.900 9.057 1.00 0.00 H new TER 1334 GLY A 90