USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 809 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 15 THR OG1 : rot 11:sc= 0.194 USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= 0.19 USER MOD Set 2.1: A 25 THR OG1 : rot -67:sc= 0.258 USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0.246 USER MOD Set 3.1: A 47 CYS SG : rot 32:sc= -0.474 USER MOD Set 3.2: A 51 THR OG1 : rot -33:sc= 0.894 USER MOD Set 4.1: A 6 SER OG : rot 170:sc= -0.0448 USER MOD Set 4.2: A 86 ASN : amide:sc= -2.44! C(o=-2.5!,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.699 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -129:sc= -1.24 (180deg=-3.45!) USER MOD Single : A 33 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.094) USER MOD Single : A 42 TYR OH : rot -40:sc= -1.32! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0513 K(o=-0.051,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 0.215 (180deg=0.0889) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.238 (180deg=-1.01) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -29:sc= -0.076 USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00978) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= -0.263 (180deg=-0.393!) USER MOD Single : A 91 SER OG : rot 90:sc= -0.816 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.0327 (180deg=-0.174) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.287 -10.142 -7.783 1.00 0.00 N ATOM 2 CA GLY A 1 -10.170 -11.363 -8.559 1.00 0.00 C ATOM 3 C GLY A 1 -11.424 -11.667 -9.353 1.00 0.00 C ATOM 4 O GLY A 1 -11.677 -11.051 -10.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.404 -9.978 -7.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.464 -9.340 -8.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.077 -10.231 -7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.324 -11.277 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.957 -12.196 -7.890 1.00 0.00 H new ATOM 8 N SER A 2 -12.212 -12.623 -8.869 1.00 0.00 N ATOM 9 CA SER A 2 -13.444 -13.012 -9.544 1.00 0.00 C ATOM 10 C SER A 2 -14.524 -11.951 -9.357 1.00 0.00 C ATOM 11 O SER A 2 -15.132 -11.491 -10.324 1.00 0.00 O ATOM 12 CB SER A 2 -13.939 -14.358 -9.010 1.00 0.00 C ATOM 13 OG SER A 2 -15.229 -14.663 -9.512 1.00 0.00 O ATOM 0 H SER A 2 -12.019 -13.142 -8.012 1.00 0.00 H new ATOM 0 HA SER A 2 -13.232 -13.106 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.240 -15.145 -9.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.966 -14.333 -7.921 1.00 0.00 H new ATOM 0 HG SER A 2 -15.522 -15.528 -9.157 1.00 0.00 H new ATOM 19 N SER A 3 -14.758 -11.566 -8.107 1.00 0.00 N ATOM 20 CA SER A 3 -15.766 -10.561 -7.792 1.00 0.00 C ATOM 21 C SER A 3 -15.122 -9.310 -7.203 1.00 0.00 C ATOM 22 O SER A 3 -14.040 -9.371 -6.620 1.00 0.00 O ATOM 23 CB SER A 3 -16.793 -11.130 -6.810 1.00 0.00 C ATOM 24 OG SER A 3 -17.492 -12.223 -7.380 1.00 0.00 O ATOM 0 H SER A 3 -14.263 -11.935 -7.295 1.00 0.00 H new ATOM 0 HA SER A 3 -16.271 -10.286 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.290 -11.452 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.500 -10.350 -6.526 1.00 0.00 H new ATOM 0 HG SER A 3 -18.141 -12.570 -6.733 1.00 0.00 H new ATOM 30 N GLY A 4 -15.796 -8.175 -7.360 1.00 0.00 N ATOM 31 CA GLY A 4 -15.275 -6.924 -6.839 1.00 0.00 C ATOM 32 C GLY A 4 -16.371 -5.927 -6.520 1.00 0.00 C ATOM 33 O GLY A 4 -16.477 -4.884 -7.165 1.00 0.00 O ATOM 0 H GLY A 4 -16.694 -8.099 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.695 -7.123 -5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.592 -6.487 -7.567 1.00 0.00 H new ATOM 37 N SER A 5 -17.190 -6.249 -5.524 1.00 0.00 N ATOM 38 CA SER A 5 -18.287 -5.376 -5.124 1.00 0.00 C ATOM 39 C SER A 5 -18.433 -5.347 -3.605 1.00 0.00 C ATOM 40 O SER A 5 -18.656 -6.379 -2.972 1.00 0.00 O ATOM 41 CB SER A 5 -19.596 -5.841 -5.764 1.00 0.00 C ATOM 42 OG SER A 5 -20.020 -7.079 -5.218 1.00 0.00 O ATOM 0 H SER A 5 -17.115 -7.108 -4.979 1.00 0.00 H new ATOM 0 HA SER A 5 -18.060 -4.367 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.368 -5.088 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.462 -5.942 -6.841 1.00 0.00 H new ATOM 0 HG SER A 5 -19.591 -7.217 -4.348 1.00 0.00 H new ATOM 48 N SER A 6 -18.305 -4.156 -3.028 1.00 0.00 N ATOM 49 CA SER A 6 -18.418 -3.992 -1.583 1.00 0.00 C ATOM 50 C SER A 6 -19.291 -2.789 -1.241 1.00 0.00 C ATOM 51 O SER A 6 -19.517 -1.913 -2.075 1.00 0.00 O ATOM 52 CB SER A 6 -17.032 -3.825 -0.958 1.00 0.00 C ATOM 53 OG SER A 6 -17.087 -3.975 0.450 1.00 0.00 O ATOM 0 H SER A 6 -18.123 -3.292 -3.538 1.00 0.00 H new ATOM 0 HA SER A 6 -18.887 -4.887 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.348 -4.562 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.633 -2.842 -1.207 1.00 0.00 H new ATOM 0 HG SER A 6 -16.177 -4.025 0.809 1.00 0.00 H new ATOM 59 N GLY A 7 -19.780 -2.753 -0.005 1.00 0.00 N ATOM 60 CA GLY A 7 -20.624 -1.654 0.428 1.00 0.00 C ATOM 61 C GLY A 7 -19.827 -0.406 0.755 1.00 0.00 C ATOM 62 O GLY A 7 -20.268 0.711 0.481 1.00 0.00 O ATOM 0 H GLY A 7 -19.607 -3.465 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.347 -1.425 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.191 -1.960 1.307 1.00 0.00 H new ATOM 66 N THR A 8 -18.651 -0.594 1.345 1.00 0.00 N ATOM 67 CA THR A 8 -17.793 0.525 1.713 1.00 0.00 C ATOM 68 C THR A 8 -16.903 0.941 0.548 1.00 0.00 C ATOM 69 O THR A 8 -16.744 0.198 -0.421 1.00 0.00 O ATOM 70 CB THR A 8 -16.905 0.178 2.924 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.625 -0.660 3.835 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.449 1.440 3.639 1.00 0.00 C ATOM 0 H THR A 8 -18.271 -1.511 1.578 1.00 0.00 H new ATOM 0 HA THR A 8 -18.450 1.353 1.979 1.00 0.00 H new ATOM 0 HB THR A 8 -16.025 -0.353 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.054 -0.877 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.824 1.170 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.876 2.061 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.320 1.994 3.990 1.00 0.00 H new ATOM 80 N SER A 9 -16.323 2.133 0.648 1.00 0.00 N ATOM 81 CA SER A 9 -15.451 2.650 -0.400 1.00 0.00 C ATOM 82 C SER A 9 -13.993 2.310 -0.110 1.00 0.00 C ATOM 83 O SER A 9 -13.571 2.203 1.042 1.00 0.00 O ATOM 84 CB SER A 9 -15.617 4.165 -0.530 1.00 0.00 C ATOM 85 OG SER A 9 -16.868 4.494 -1.108 1.00 0.00 O ATOM 0 H SER A 9 -16.441 2.759 1.445 1.00 0.00 H new ATOM 0 HA SER A 9 -15.736 2.179 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.534 4.629 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.812 4.571 -1.143 1.00 0.00 H new ATOM 0 HG SER A 9 -16.950 5.468 -1.178 1.00 0.00 H new ATOM 91 N PRO A 10 -13.202 2.135 -1.179 1.00 0.00 N ATOM 92 CA PRO A 10 -11.779 1.805 -1.066 1.00 0.00 C ATOM 93 C PRO A 10 -10.955 2.968 -0.525 1.00 0.00 C ATOM 94 O PRO A 10 -11.434 4.096 -0.404 1.00 0.00 O ATOM 95 CB PRO A 10 -11.373 1.487 -2.508 1.00 0.00 C ATOM 96 CG PRO A 10 -12.345 2.239 -3.350 1.00 0.00 C ATOM 97 CD PRO A 10 -13.638 2.247 -2.582 1.00 0.00 C ATOM 0 HA PRO A 10 -11.605 0.985 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.349 1.801 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.423 0.416 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.996 3.254 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.471 1.761 -4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.203 3.163 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.282 1.416 -2.870 1.00 0.00 H new ATOM 105 N PRO A 11 -9.686 2.691 -0.192 1.00 0.00 N ATOM 106 CA PRO A 11 -8.768 3.703 0.341 1.00 0.00 C ATOM 107 C PRO A 11 -8.370 4.735 -0.709 1.00 0.00 C ATOM 108 O PRO A 11 -7.965 4.384 -1.818 1.00 0.00 O ATOM 109 CB PRO A 11 -7.550 2.883 0.774 1.00 0.00 C ATOM 110 CG PRO A 11 -7.592 1.662 -0.078 1.00 0.00 C ATOM 111 CD PRO A 11 -9.048 1.369 -0.310 1.00 0.00 C ATOM 0 HA PRO A 11 -9.220 4.279 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.625 3.439 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.600 2.629 1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.072 1.827 -1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.099 0.824 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.217 0.928 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.439 0.667 0.427 1.00 0.00 H new ATOM 119 N THR A 12 -8.487 6.010 -0.352 1.00 0.00 N ATOM 120 CA THR A 12 -8.141 7.093 -1.264 1.00 0.00 C ATOM 121 C THR A 12 -6.890 7.828 -0.794 1.00 0.00 C ATOM 122 O THR A 12 -6.259 7.435 0.188 1.00 0.00 O ATOM 123 CB THR A 12 -9.295 8.104 -1.401 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.595 8.680 -0.125 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.538 7.432 -1.965 1.00 0.00 C ATOM 0 H THR A 12 -8.819 6.318 0.562 1.00 0.00 H new ATOM 0 HA THR A 12 -7.950 6.638 -2.236 1.00 0.00 H new ATOM 0 HB THR A 12 -8.982 8.889 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.328 9.323 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.340 8.165 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.314 7.020 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.852 6.629 -1.298 1.00 0.00 H new ATOM 133 N LEU A 13 -6.538 8.897 -1.500 1.00 0.00 N ATOM 134 CA LEU A 13 -5.362 9.688 -1.154 1.00 0.00 C ATOM 135 C LEU A 13 -4.156 8.789 -0.902 1.00 0.00 C ATOM 136 O LEU A 13 -3.462 8.931 0.106 1.00 0.00 O ATOM 137 CB LEU A 13 -5.643 10.542 0.083 1.00 0.00 C ATOM 138 CG LEU A 13 -6.428 11.832 -0.157 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.916 12.414 1.161 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.574 12.845 -0.905 1.00 0.00 C ATOM 0 H LEU A 13 -7.050 9.236 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.135 10.342 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.192 9.934 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.690 10.801 0.546 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.298 11.596 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.472 13.332 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.565 11.693 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.061 12.635 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.149 13.757 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.685 13.076 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.275 12.429 -1.867 1.00 0.00 H new ATOM 152 N LEU A 14 -3.910 7.865 -1.824 1.00 0.00 N ATOM 153 CA LEU A 14 -2.785 6.943 -1.703 1.00 0.00 C ATOM 154 C LEU A 14 -1.491 7.598 -2.175 1.00 0.00 C ATOM 155 O LEU A 14 -1.309 7.852 -3.366 1.00 0.00 O ATOM 156 CB LEU A 14 -3.052 5.673 -2.512 1.00 0.00 C ATOM 157 CG LEU A 14 -2.017 4.557 -2.369 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.895 4.736 -3.381 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.460 4.523 -0.953 1.00 0.00 C ATOM 0 H LEU A 14 -4.474 7.734 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.674 6.680 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.025 5.278 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.121 5.945 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.509 3.605 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.168 3.932 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.307 4.709 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.405 5.695 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.725 3.722 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.984 5.477 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.271 4.345 -0.247 1.00 0.00 H new ATOM 171 N THR A 15 -0.592 7.868 -1.233 1.00 0.00 N ATOM 172 CA THR A 15 0.685 8.492 -1.553 1.00 0.00 C ATOM 173 C THR A 15 1.794 7.969 -0.647 1.00 0.00 C ATOM 174 O THR A 15 1.532 7.462 0.443 1.00 0.00 O ATOM 175 CB THR A 15 0.610 10.025 -1.420 1.00 0.00 C ATOM 176 OG1 THR A 15 1.606 10.638 -2.248 1.00 0.00 O ATOM 177 CG2 THR A 15 0.811 10.454 0.025 1.00 0.00 C ATOM 0 H THR A 15 -0.725 7.664 -0.243 1.00 0.00 H new ATOM 0 HA THR A 15 0.912 8.235 -2.588 1.00 0.00 H new ATOM 0 HB THR A 15 -0.380 10.347 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.996 9.964 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.754 11.540 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.034 10.010 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.789 10.120 0.371 1.00 0.00 H new ATOM 185 N VAL A 16 3.036 8.097 -1.105 1.00 0.00 N ATOM 186 CA VAL A 16 4.186 7.639 -0.335 1.00 0.00 C ATOM 187 C VAL A 16 4.702 8.737 0.589 1.00 0.00 C ATOM 188 O VAL A 16 5.097 9.810 0.133 1.00 0.00 O ATOM 189 CB VAL A 16 5.331 7.178 -1.256 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.355 6.371 -0.472 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.783 6.369 -2.422 1.00 0.00 C ATOM 0 H VAL A 16 3.271 8.514 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 16 3.849 6.793 0.264 1.00 0.00 H new ATOM 0 HB VAL A 16 5.829 8.061 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.156 6.054 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.770 6.987 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.874 5.493 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.606 6.051 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.259 5.492 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.091 6.984 -2.998 1.00 0.00 H new ATOM 201 N ASP A 17 4.696 8.460 1.888 1.00 0.00 N ATOM 202 CA ASP A 17 5.166 9.424 2.877 1.00 0.00 C ATOM 203 C ASP A 17 6.690 9.465 2.914 1.00 0.00 C ATOM 204 O ASP A 17 7.299 10.507 2.668 1.00 0.00 O ATOM 205 CB ASP A 17 4.618 9.074 4.261 1.00 0.00 C ATOM 206 CG ASP A 17 4.471 10.293 5.151 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.296 11.222 5.026 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.529 10.318 5.970 1.00 0.00 O ATOM 0 H ASP A 17 4.371 7.577 2.281 1.00 0.00 H new ATOM 0 HA ASP A 17 4.802 10.410 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.648 8.588 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.283 8.356 4.741 1.00 0.00 H new ATOM 213 N SER A 18 7.300 8.326 3.225 1.00 0.00 N ATOM 214 CA SER A 18 8.754 8.233 3.300 1.00 0.00 C ATOM 215 C SER A 18 9.271 7.092 2.429 1.00 0.00 C ATOM 216 O SER A 18 8.502 6.242 1.979 1.00 0.00 O ATOM 217 CB SER A 18 9.199 8.027 4.749 1.00 0.00 C ATOM 218 OG SER A 18 10.524 8.488 4.946 1.00 0.00 O ATOM 0 H SER A 18 6.811 7.455 3.429 1.00 0.00 H new ATOM 0 HA SER A 18 9.173 9.168 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.523 8.557 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.137 6.969 5.005 1.00 0.00 H new ATOM 0 HG SER A 18 10.784 8.347 5.880 1.00 0.00 H new ATOM 224 N VAL A 19 10.579 7.080 2.196 1.00 0.00 N ATOM 225 CA VAL A 19 11.201 6.044 1.381 1.00 0.00 C ATOM 226 C VAL A 19 12.684 5.904 1.706 1.00 0.00 C ATOM 227 O VAL A 19 13.453 6.856 1.571 1.00 0.00 O ATOM 228 CB VAL A 19 11.042 6.341 -0.122 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.890 5.386 -0.948 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.579 6.257 -0.530 1.00 0.00 C ATOM 0 H VAL A 19 11.229 7.777 2.560 1.00 0.00 H new ATOM 0 HA VAL A 19 10.691 5.109 1.615 1.00 0.00 H new ATOM 0 HB VAL A 19 11.391 7.356 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.765 5.611 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.939 5.501 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.575 4.360 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.485 6.470 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.201 5.255 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.001 6.986 0.038 1.00 0.00 H new ATOM 240 N THR A 20 13.080 4.710 2.136 1.00 0.00 N ATOM 241 CA THR A 20 14.471 4.445 2.481 1.00 0.00 C ATOM 242 C THR A 20 15.042 3.315 1.633 1.00 0.00 C ATOM 243 O THR A 20 14.311 2.432 1.184 1.00 0.00 O ATOM 244 CB THR A 20 14.620 4.080 3.971 1.00 0.00 C ATOM 245 OG1 THR A 20 13.633 4.770 4.745 1.00 0.00 O ATOM 246 CG2 THR A 20 16.010 4.435 4.478 1.00 0.00 C ATOM 0 H THR A 20 12.457 3.911 2.254 1.00 0.00 H new ATOM 0 HA THR A 20 15.027 5.361 2.281 1.00 0.00 H new ATOM 0 HB THR A 20 14.476 3.005 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.733 4.532 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.092 4.169 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.757 3.886 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.178 5.506 4.360 1.00 0.00 H new ATOM 254 N ASP A 21 16.353 3.347 1.418 1.00 0.00 N ATOM 255 CA ASP A 21 17.023 2.324 0.624 1.00 0.00 C ATOM 256 C ASP A 21 16.837 0.944 1.248 1.00 0.00 C ATOM 257 O ASP A 21 17.155 -0.075 0.635 1.00 0.00 O ATOM 258 CB ASP A 21 18.514 2.643 0.496 1.00 0.00 C ATOM 259 CG ASP A 21 19.279 2.354 1.772 1.00 0.00 C ATOM 260 OD1 ASP A 21 19.182 3.163 2.718 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.977 1.319 1.825 1.00 0.00 O ATOM 0 H ASP A 21 16.973 4.071 1.783 1.00 0.00 H new ATOM 0 HA ASP A 21 16.574 2.317 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.939 2.058 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.637 3.693 0.232 1.00 0.00 H new ATOM 266 N THR A 22 16.321 0.919 2.473 1.00 0.00 N ATOM 267 CA THR A 22 16.094 -0.335 3.181 1.00 0.00 C ATOM 268 C THR A 22 14.612 -0.688 3.214 1.00 0.00 C ATOM 269 O THR A 22 14.223 -1.814 2.903 1.00 0.00 O ATOM 270 CB THR A 22 16.627 -0.268 4.625 1.00 0.00 C ATOM 271 OG1 THR A 22 15.846 -1.116 5.475 1.00 0.00 O ATOM 272 CG2 THR A 22 16.590 1.159 5.151 1.00 0.00 C ATOM 0 H THR A 22 16.052 1.753 2.995 1.00 0.00 H new ATOM 0 HA THR A 22 16.636 -1.108 2.636 1.00 0.00 H new ATOM 0 HB THR A 22 17.662 -0.610 4.623 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.192 -1.069 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 22 16.971 1.180 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.209 1.796 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 22 15.563 1.525 5.139 1.00 0.00 H new ATOM 280 N THR A 23 13.786 0.282 3.594 1.00 0.00 N ATOM 281 CA THR A 23 12.345 0.074 3.668 1.00 0.00 C ATOM 282 C THR A 23 11.588 1.242 3.048 1.00 0.00 C ATOM 283 O THR A 23 12.145 2.322 2.851 1.00 0.00 O ATOM 284 CB THR A 23 11.879 -0.111 5.125 1.00 0.00 C ATOM 285 OG1 THR A 23 12.095 1.096 5.865 1.00 0.00 O ATOM 286 CG2 THR A 23 12.621 -1.260 5.789 1.00 0.00 C ATOM 0 H THR A 23 14.091 1.220 3.855 1.00 0.00 H new ATOM 0 HA THR A 23 12.127 -0.834 3.106 1.00 0.00 H new ATOM 0 HB THR A 23 10.815 -0.345 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.795 0.971 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.275 -1.371 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.430 -2.182 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.691 -1.052 5.787 1.00 0.00 H new ATOM 294 N VAL A 24 10.313 1.020 2.743 1.00 0.00 N ATOM 295 CA VAL A 24 9.478 2.056 2.147 1.00 0.00 C ATOM 296 C VAL A 24 8.159 2.198 2.897 1.00 0.00 C ATOM 297 O VAL A 24 7.472 1.210 3.161 1.00 0.00 O ATOM 298 CB VAL A 24 9.184 1.756 0.665 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.466 1.402 -0.073 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.162 0.636 0.541 1.00 0.00 C ATOM 0 H VAL A 24 9.836 0.132 2.899 1.00 0.00 H new ATOM 0 HA VAL A 24 10.035 2.991 2.217 1.00 0.00 H new ATOM 0 HB VAL A 24 8.765 2.652 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.238 1.193 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.163 2.238 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.917 0.521 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.966 0.437 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.551 -0.266 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.236 0.933 1.033 1.00 0.00 H new ATOM 310 N THR A 25 7.808 3.434 3.238 1.00 0.00 N ATOM 311 CA THR A 25 6.571 3.706 3.959 1.00 0.00 C ATOM 312 C THR A 25 5.494 4.240 3.021 1.00 0.00 C ATOM 313 O THR A 25 5.788 4.973 2.077 1.00 0.00 O ATOM 314 CB THR A 25 6.794 4.721 5.096 1.00 0.00 C ATOM 315 OG1 THR A 25 7.851 4.273 5.952 1.00 0.00 O ATOM 316 CG2 THR A 25 5.523 4.912 5.909 1.00 0.00 C ATOM 0 H THR A 25 8.363 4.263 3.026 1.00 0.00 H new ATOM 0 HA THR A 25 6.240 2.760 4.387 1.00 0.00 H new ATOM 0 HB THR A 25 7.068 5.677 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.567 3.465 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.706 5.633 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.728 5.281 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.223 3.959 6.344 1.00 0.00 H new ATOM 324 N MET A 26 4.246 3.869 3.288 1.00 0.00 N ATOM 325 CA MET A 26 3.125 4.313 2.467 1.00 0.00 C ATOM 326 C MET A 26 1.987 4.835 3.338 1.00 0.00 C ATOM 327 O MET A 26 1.621 4.213 4.335 1.00 0.00 O ATOM 328 CB MET A 26 2.624 3.166 1.587 1.00 0.00 C ATOM 329 CG MET A 26 3.675 2.635 0.625 1.00 0.00 C ATOM 330 SD MET A 26 3.976 3.750 -0.759 1.00 0.00 S ATOM 331 CE MET A 26 2.355 3.792 -1.520 1.00 0.00 C ATOM 0 H MET A 26 3.985 3.263 4.066 1.00 0.00 H new ATOM 0 HA MET A 26 3.473 5.125 1.829 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.283 2.351 2.226 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.760 3.507 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.608 2.473 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.355 1.666 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.448 3.582 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.716 3.041 -1.056 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.914 4.779 -1.382 1.00 0.00 H new ATOM 341 N ARG A 27 1.433 5.981 2.956 1.00 0.00 N ATOM 342 CA ARG A 27 0.338 6.586 3.704 1.00 0.00 C ATOM 343 C ARG A 27 -0.937 6.625 2.866 1.00 0.00 C ATOM 344 O ARG A 27 -0.882 6.693 1.638 1.00 0.00 O ATOM 345 CB ARG A 27 0.714 8.002 4.144 1.00 0.00 C ATOM 346 CG ARG A 27 0.510 9.051 3.062 1.00 0.00 C ATOM 347 CD ARG A 27 0.661 10.459 3.616 1.00 0.00 C ATOM 348 NE ARG A 27 -0.109 11.434 2.849 1.00 0.00 N ATOM 349 CZ ARG A 27 0.162 12.735 2.832 1.00 0.00 C ATOM 350 NH1 ARG A 27 1.178 13.213 3.537 1.00 0.00 N ATOM 351 NH2 ARG A 27 -0.585 13.560 2.109 1.00 0.00 N ATOM 0 H ARG A 27 1.724 6.509 2.133 1.00 0.00 H new ATOM 0 HA ARG A 27 0.154 5.975 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.119 8.272 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.759 8.011 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.233 8.894 2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.481 8.936 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.335 10.476 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.714 10.741 3.608 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.898 11.098 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.754 12.582 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.384 14.212 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.368 13.196 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.376 14.558 2.096 1.00 0.00 H new ATOM 365 N TRP A 28 -2.082 6.580 3.537 1.00 0.00 N ATOM 366 CA TRP A 28 -3.370 6.609 2.854 1.00 0.00 C ATOM 367 C TRP A 28 -4.478 7.058 3.801 1.00 0.00 C ATOM 368 O TRP A 28 -4.282 7.121 5.015 1.00 0.00 O ATOM 369 CB TRP A 28 -3.699 5.229 2.283 1.00 0.00 C ATOM 370 CG TRP A 28 -3.885 4.179 3.336 1.00 0.00 C ATOM 371 CD1 TRP A 28 -4.960 4.031 4.165 1.00 0.00 C ATOM 372 CD2 TRP A 28 -2.969 3.132 3.674 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.767 2.955 4.998 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.554 2.386 4.716 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.712 2.750 3.197 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.923 1.284 5.288 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.088 1.656 3.765 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.694 0.933 4.801 1.00 0.00 C ATOM 0 H TRP A 28 -2.145 6.523 4.553 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.303 7.326 2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.608 5.298 1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.898 4.921 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.833 4.666 4.166 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.421 2.633 5.711 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.237 3.300 2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.388 0.726 6.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.116 1.353 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.181 0.082 5.223 1.00 0.00 H new ATOM 389 N ARG A 29 -5.641 7.369 3.238 1.00 0.00 N ATOM 390 CA ARG A 29 -6.780 7.813 4.033 1.00 0.00 C ATOM 391 C ARG A 29 -7.965 6.867 3.862 1.00 0.00 C ATOM 392 O ARG A 29 -8.216 6.338 2.779 1.00 0.00 O ATOM 393 CB ARG A 29 -7.185 9.233 3.633 1.00 0.00 C ATOM 394 CG ARG A 29 -8.679 9.491 3.736 1.00 0.00 C ATOM 395 CD ARG A 29 -8.969 10.916 4.183 1.00 0.00 C ATOM 396 NE ARG A 29 -10.203 11.433 3.597 1.00 0.00 N ATOM 397 CZ ARG A 29 -10.731 12.609 3.916 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.136 13.386 4.811 1.00 0.00 N ATOM 399 NH2 ARG A 29 -11.857 13.011 3.340 1.00 0.00 N ATOM 0 H ARG A 29 -5.819 7.322 2.235 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.483 7.809 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.657 9.945 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.862 9.419 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.148 9.309 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.123 8.789 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.043 10.947 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.136 11.561 3.902 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.685 10.860 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.271 13.081 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.544 14.289 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.318 12.416 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.261 13.915 3.586 1.00 0.00 H new ATOM 413 N PRO A 30 -8.710 6.648 4.955 1.00 0.00 N ATOM 414 CA PRO A 30 -9.880 5.765 4.951 1.00 0.00 C ATOM 415 C PRO A 30 -11.043 6.348 4.156 1.00 0.00 C ATOM 416 O PRO A 30 -11.038 7.516 3.769 1.00 0.00 O ATOM 417 CB PRO A 30 -10.247 5.657 6.434 1.00 0.00 C ATOM 418 CG PRO A 30 -9.714 6.904 7.048 1.00 0.00 C ATOM 419 CD PRO A 30 -8.468 7.245 6.279 1.00 0.00 C ATOM 0 HA PRO A 30 -9.666 4.806 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.326 5.578 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.803 4.771 6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.443 7.712 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.492 6.755 8.105 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.319 8.323 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.578 6.829 6.751 1.00 0.00 H new ATOM 427 N PRO A 31 -12.065 5.516 3.905 1.00 0.00 N ATOM 428 CA PRO A 31 -13.255 5.927 3.154 1.00 0.00 C ATOM 429 C PRO A 31 -14.120 6.913 3.932 1.00 0.00 C ATOM 430 O PRO A 31 -14.354 6.738 5.128 1.00 0.00 O ATOM 431 CB PRO A 31 -14.008 4.613 2.934 1.00 0.00 C ATOM 432 CG PRO A 31 -13.566 3.732 4.051 1.00 0.00 C ATOM 433 CD PRO A 31 -12.138 4.110 4.336 1.00 0.00 C ATOM 0 HA PRO A 31 -12.995 6.444 2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.087 4.767 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.766 4.176 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.191 3.876 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.644 2.681 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.897 4.001 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.438 3.483 3.783 1.00 0.00 H new ATOM 441 N ASP A 32 -14.592 7.948 3.247 1.00 0.00 N ATOM 442 CA ASP A 32 -15.433 8.961 3.874 1.00 0.00 C ATOM 443 C ASP A 32 -16.439 8.320 4.824 1.00 0.00 C ATOM 444 O ASP A 32 -16.646 8.796 5.940 1.00 0.00 O ATOM 445 CB ASP A 32 -16.167 9.777 2.808 1.00 0.00 C ATOM 446 CG ASP A 32 -17.082 10.825 3.410 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.581 11.908 3.781 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.299 10.563 3.508 1.00 0.00 O ATOM 0 H ASP A 32 -14.407 8.108 2.257 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.790 9.626 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.437 10.264 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.752 9.106 2.180 1.00 0.00 H new ATOM 453 N HIS A 33 -17.065 7.237 4.372 1.00 0.00 N ATOM 454 CA HIS A 33 -18.051 6.530 5.182 1.00 0.00 C ATOM 455 C HIS A 33 -17.686 5.055 5.317 1.00 0.00 C ATOM 456 O HIS A 33 -16.887 4.530 4.541 1.00 0.00 O ATOM 457 CB HIS A 33 -19.443 6.669 4.565 1.00 0.00 C ATOM 458 CG HIS A 33 -20.556 6.405 5.532 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.586 5.526 5.271 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.795 6.907 6.765 1.00 0.00 C ATOM 461 CE1 HIS A 33 -22.412 5.501 6.302 1.00 0.00 C ATOM 462 NE2 HIS A 33 -21.954 6.330 7.222 1.00 0.00 N ATOM 0 H HIS A 33 -16.907 6.831 3.450 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.056 6.977 6.176 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.554 7.676 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.530 5.979 3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -20.187 7.628 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -23.309 4.904 6.379 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.390 6.512 8.126 1.00 0.00 H new ATOM 471 N ILE A 34 -18.277 4.392 6.306 1.00 0.00 N ATOM 472 CA ILE A 34 -18.014 2.978 6.541 1.00 0.00 C ATOM 473 C ILE A 34 -19.305 2.167 6.512 1.00 0.00 C ATOM 474 O ILE A 34 -20.077 2.175 7.469 1.00 0.00 O ATOM 475 CB ILE A 34 -17.310 2.754 7.892 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.131 3.716 8.044 1.00 0.00 C ATOM 477 CG2 ILE A 34 -16.842 1.311 8.012 1.00 0.00 C ATOM 478 CD1 ILE A 34 -14.847 3.201 7.433 1.00 0.00 C ATOM 0 H ILE A 34 -18.941 4.812 6.957 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.358 2.641 5.739 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.022 2.953 8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.388 4.668 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.967 3.911 9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.346 1.168 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.701 0.643 7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.143 1.087 7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.055 3.935 7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.566 2.264 7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.994 3.032 6.366 1.00 0.00 H new ATOM 490 N GLY A 35 -19.532 1.465 5.405 1.00 0.00 N ATOM 491 CA GLY A 35 -20.729 0.657 5.272 1.00 0.00 C ATOM 492 C GLY A 35 -21.141 0.011 6.580 1.00 0.00 C ATOM 493 O GLY A 35 -20.293 -0.388 7.377 1.00 0.00 O ATOM 0 H GLY A 35 -18.908 1.442 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.545 1.280 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -20.559 -0.118 4.525 1.00 0.00 H new ATOM 497 N ALA A 36 -22.448 -0.091 6.802 1.00 0.00 N ATOM 498 CA ALA A 36 -22.970 -0.693 8.023 1.00 0.00 C ATOM 499 C ALA A 36 -22.107 -1.869 8.468 1.00 0.00 C ATOM 500 O ALA A 36 -21.736 -1.970 9.637 1.00 0.00 O ATOM 501 CB ALA A 36 -24.410 -1.141 7.816 1.00 0.00 C ATOM 0 H ALA A 36 -23.164 0.235 6.153 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.945 0.061 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -24.787 -1.589 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.025 -0.280 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -24.450 -1.875 7.012 1.00 0.00 H new ATOM 507 N ALA A 37 -21.793 -2.755 7.529 1.00 0.00 N ATOM 508 CA ALA A 37 -20.972 -3.923 7.825 1.00 0.00 C ATOM 509 C ALA A 37 -19.797 -3.555 8.724 1.00 0.00 C ATOM 510 O ALA A 37 -19.539 -4.217 9.728 1.00 0.00 O ATOM 511 CB ALA A 37 -20.475 -4.559 6.536 1.00 0.00 C ATOM 0 H ALA A 37 -22.094 -2.687 6.557 1.00 0.00 H new ATOM 0 HA ALA A 37 -21.590 -4.645 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.863 -5.430 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.327 -4.868 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.878 -3.836 5.980 1.00 0.00 H new ATOM 517 N GLY A 38 -19.086 -2.493 8.356 1.00 0.00 N ATOM 518 CA GLY A 38 -17.945 -2.056 9.139 1.00 0.00 C ATOM 519 C GLY A 38 -16.640 -2.175 8.379 1.00 0.00 C ATOM 520 O GLY A 38 -16.553 -2.904 7.390 1.00 0.00 O ATOM 0 H GLY A 38 -19.280 -1.928 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.092 -1.019 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.886 -2.649 10.051 1.00 0.00 H new ATOM 524 N LEU A 39 -15.621 -1.456 8.839 1.00 0.00 N ATOM 525 CA LEU A 39 -14.313 -1.483 8.194 1.00 0.00 C ATOM 526 C LEU A 39 -13.310 -2.270 9.030 1.00 0.00 C ATOM 527 O LEU A 39 -13.137 -2.007 10.221 1.00 0.00 O ATOM 528 CB LEU A 39 -13.803 -0.058 7.972 1.00 0.00 C ATOM 529 CG LEU A 39 -12.330 0.074 7.581 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.173 0.014 6.069 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.747 1.368 8.129 1.00 0.00 C ATOM 0 H LEU A 39 -15.676 -0.848 9.656 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.421 -1.978 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.408 0.406 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.968 0.512 8.886 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.781 -0.761 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.119 0.109 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.553 -0.939 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.735 0.829 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.699 1.445 7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.298 2.216 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.826 1.371 9.216 1.00 0.00 H new ATOM 543 N ASP A 40 -12.650 -3.236 8.400 1.00 0.00 N ATOM 544 CA ASP A 40 -11.661 -4.060 9.085 1.00 0.00 C ATOM 545 C ASP A 40 -10.301 -3.956 8.402 1.00 0.00 C ATOM 546 O ASP A 40 -10.022 -4.671 7.440 1.00 0.00 O ATOM 547 CB ASP A 40 -12.118 -5.519 9.120 1.00 0.00 C ATOM 548 CG ASP A 40 -12.985 -5.883 7.931 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.153 -5.442 7.891 1.00 0.00 O ATOM 550 OD2 ASP A 40 -12.496 -6.608 7.041 1.00 0.00 O ATOM 0 H ASP A 40 -12.782 -3.468 7.415 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.563 -3.694 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.244 -6.170 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.673 -5.701 10.040 1.00 0.00 H new ATOM 555 N GLY A 41 -9.457 -3.061 8.906 1.00 0.00 N ATOM 556 CA GLY A 41 -8.137 -2.879 8.332 1.00 0.00 C ATOM 557 C GLY A 41 -8.170 -2.787 6.820 1.00 0.00 C ATOM 558 O GLY A 41 -9.216 -2.511 6.230 1.00 0.00 O ATOM 0 H GLY A 41 -9.664 -2.458 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.689 -1.972 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.498 -3.710 8.628 1.00 0.00 H new ATOM 562 N TYR A 42 -7.024 -3.017 6.189 1.00 0.00 N ATOM 563 CA TYR A 42 -6.925 -2.954 4.736 1.00 0.00 C ATOM 564 C TYR A 42 -5.873 -3.930 4.219 1.00 0.00 C ATOM 565 O TYR A 42 -5.036 -4.419 4.978 1.00 0.00 O ATOM 566 CB TYR A 42 -6.582 -1.533 4.288 1.00 0.00 C ATOM 567 CG TYR A 42 -7.181 -0.459 5.167 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.657 -0.192 6.426 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.273 0.287 4.741 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.202 0.787 7.234 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.823 1.270 5.541 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.285 1.516 6.787 1.00 0.00 C ATOM 573 OH TYR A 42 -8.831 2.492 7.588 1.00 0.00 O ATOM 0 H TYR A 42 -6.150 -3.249 6.661 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.892 -3.236 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.498 -1.417 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.930 -1.390 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.809 -0.760 6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.699 0.095 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.783 0.981 8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.670 1.843 5.193 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.851 2.180 8.517 1.00 0.00 H new ATOM 583 N VAL A 43 -5.921 -4.209 2.920 1.00 0.00 N ATOM 584 CA VAL A 43 -4.971 -5.125 2.299 1.00 0.00 C ATOM 585 C VAL A 43 -3.975 -4.374 1.423 1.00 0.00 C ATOM 586 O VAL A 43 -4.349 -3.472 0.672 1.00 0.00 O ATOM 587 CB VAL A 43 -5.691 -6.186 1.445 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.682 -7.076 0.736 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.632 -7.014 2.307 1.00 0.00 C ATOM 0 H VAL A 43 -6.608 -3.814 2.277 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.436 -5.622 3.108 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.284 -5.675 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.209 -7.819 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.053 -6.467 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.059 -7.580 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.132 -7.759 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.062 -7.516 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.377 -6.362 2.763 1.00 0.00 H new ATOM 599 N LEU A 44 -2.706 -4.751 1.523 1.00 0.00 N ATOM 600 CA LEU A 44 -1.654 -4.114 0.738 1.00 0.00 C ATOM 601 C LEU A 44 -0.726 -5.156 0.123 1.00 0.00 C ATOM 602 O LEU A 44 -0.226 -6.041 0.816 1.00 0.00 O ATOM 603 CB LEU A 44 -0.850 -3.151 1.614 1.00 0.00 C ATOM 604 CG LEU A 44 0.161 -2.265 0.885 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.346 -0.948 1.623 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.493 -2.987 0.736 1.00 0.00 C ATOM 0 H LEU A 44 -2.380 -5.495 2.140 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.126 -3.554 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.549 -2.507 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.317 -3.734 2.365 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.226 -2.049 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.069 -0.331 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.608 -0.424 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.710 -1.144 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.200 -2.342 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.885 -3.234 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.348 -3.903 0.164 1.00 0.00 H new ATOM 618 N GLU A 45 -0.499 -5.042 -1.182 1.00 0.00 N ATOM 619 CA GLU A 45 0.371 -5.974 -1.890 1.00 0.00 C ATOM 620 C GLU A 45 1.282 -5.234 -2.865 1.00 0.00 C ATOM 621 O GLU A 45 0.909 -4.199 -3.418 1.00 0.00 O ATOM 622 CB GLU A 45 -0.463 -7.013 -2.642 1.00 0.00 C ATOM 623 CG GLU A 45 -1.593 -7.601 -1.814 1.00 0.00 C ATOM 624 CD GLU A 45 -2.458 -8.562 -2.607 1.00 0.00 C ATOM 625 OE1 GLU A 45 -1.908 -9.289 -3.460 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.685 -8.586 -2.375 1.00 0.00 O ATOM 0 H GLU A 45 -0.905 -4.314 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 45 0.993 -6.482 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.881 -6.552 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.190 -7.820 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.175 -8.121 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.214 -6.793 -1.428 1.00 0.00 H new ATOM 633 N TYR A 46 2.479 -5.772 -3.071 1.00 0.00 N ATOM 634 CA TYR A 46 3.445 -5.163 -3.977 1.00 0.00 C ATOM 635 C TYR A 46 3.943 -6.175 -5.004 1.00 0.00 C ATOM 636 O TYR A 46 4.149 -7.347 -4.687 1.00 0.00 O ATOM 637 CB TYR A 46 4.627 -4.596 -3.189 1.00 0.00 C ATOM 638 CG TYR A 46 5.505 -5.658 -2.566 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.026 -6.474 -1.548 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.813 -5.846 -2.995 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.824 -7.444 -0.975 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.618 -6.815 -2.428 1.00 0.00 C ATOM 643 CZ TYR A 46 7.119 -7.611 -1.419 1.00 0.00 C ATOM 644 OH TYR A 46 7.917 -8.578 -0.852 1.00 0.00 O ATOM 0 H TYR A 46 2.803 -6.629 -2.623 1.00 0.00 H new ATOM 0 HA TYR A 46 2.946 -4.351 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.233 -3.979 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.249 -3.942 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.012 -6.347 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.207 -5.224 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.436 -8.068 -0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.633 -6.948 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 46 8.799 -8.566 -1.279 1.00 0.00 H new ATOM 654 N CYS A 47 4.134 -5.714 -6.235 1.00 0.00 N ATOM 655 CA CYS A 47 4.608 -6.578 -7.310 1.00 0.00 C ATOM 656 C CYS A 47 6.019 -6.188 -7.740 1.00 0.00 C ATOM 657 O CYS A 47 6.212 -5.199 -8.447 1.00 0.00 O ATOM 658 CB CYS A 47 3.659 -6.505 -8.507 1.00 0.00 C ATOM 659 SG CYS A 47 4.272 -7.341 -9.988 1.00 0.00 S ATOM 0 H CYS A 47 3.968 -4.747 -6.513 1.00 0.00 H new ATOM 0 HA CYS A 47 4.632 -7.602 -6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.702 -6.944 -8.225 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.472 -5.458 -8.745 1.00 0.00 H new ATOM 0 HG CYS A 47 5.004 -8.357 -9.641 1.00 0.00 H new ATOM 665 N PHE A 48 7.001 -6.971 -7.307 1.00 0.00 N ATOM 666 CA PHE A 48 8.395 -6.706 -7.644 1.00 0.00 C ATOM 667 C PHE A 48 8.604 -6.735 -9.156 1.00 0.00 C ATOM 668 O PHE A 48 7.870 -7.407 -9.881 1.00 0.00 O ATOM 669 CB PHE A 48 9.309 -7.732 -6.972 1.00 0.00 C ATOM 670 CG PHE A 48 10.676 -7.199 -6.653 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.676 -7.202 -7.612 1.00 0.00 C ATOM 672 CD2 PHE A 48 10.961 -6.695 -5.394 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.936 -6.713 -7.320 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.219 -6.205 -5.097 1.00 0.00 C ATOM 675 CZ PHE A 48 13.207 -6.213 -6.061 1.00 0.00 C ATOM 0 H PHE A 48 6.858 -7.794 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 48 8.648 -5.711 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.839 -8.078 -6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.409 -8.600 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.469 -7.590 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.192 -6.685 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.708 -6.722 -8.076 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.429 -5.816 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.190 -5.829 -5.831 1.00 0.00 H new ATOM 685 N GLU A 49 9.608 -6.000 -9.623 1.00 0.00 N ATOM 686 CA GLU A 49 9.913 -5.941 -11.048 1.00 0.00 C ATOM 687 C GLU A 49 10.357 -7.306 -11.566 1.00 0.00 C ATOM 688 O GLU A 49 11.147 -7.998 -10.926 1.00 0.00 O ATOM 689 CB GLU A 49 11.002 -4.901 -11.316 1.00 0.00 C ATOM 690 CG GLU A 49 12.393 -5.358 -10.910 1.00 0.00 C ATOM 691 CD GLU A 49 13.089 -6.150 -12.001 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.169 -5.645 -13.141 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.552 -7.274 -11.715 1.00 0.00 O ATOM 0 H GLU A 49 10.224 -5.437 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 49 9.005 -5.649 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.005 -4.656 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.758 -3.985 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.998 -4.487 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.322 -5.970 -10.011 1.00 0.00 H new ATOM 700 N GLY A 50 9.843 -7.686 -12.732 1.00 0.00 N ATOM 701 CA GLY A 50 10.197 -8.965 -13.317 1.00 0.00 C ATOM 702 C GLY A 50 9.201 -10.055 -12.976 1.00 0.00 C ATOM 703 O GLY A 50 8.926 -10.935 -13.793 1.00 0.00 O ATOM 0 H GLY A 50 9.188 -7.130 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.260 -8.861 -14.400 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.187 -9.259 -12.967 1.00 0.00 H new ATOM 707 N THR A 51 8.657 -9.999 -11.764 1.00 0.00 N ATOM 708 CA THR A 51 7.687 -10.990 -11.315 1.00 0.00 C ATOM 709 C THR A 51 6.267 -10.578 -11.686 1.00 0.00 C ATOM 710 O THR A 51 5.807 -9.500 -11.311 1.00 0.00 O ATOM 711 CB THR A 51 7.766 -11.203 -9.792 1.00 0.00 C ATOM 712 OG1 THR A 51 7.365 -10.010 -9.109 1.00 0.00 O ATOM 713 CG2 THR A 51 9.177 -11.585 -9.371 1.00 0.00 C ATOM 0 H THR A 51 8.872 -9.277 -11.076 1.00 0.00 H new ATOM 0 HA THR A 51 7.934 -11.924 -11.819 1.00 0.00 H new ATOM 0 HB THR A 51 7.092 -12.017 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.624 -9.227 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.208 -11.730 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.468 -12.510 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.868 -10.789 -9.650 1.00 0.00 H new ATOM 721 N GLU A 52 5.578 -11.442 -12.425 1.00 0.00 N ATOM 722 CA GLU A 52 4.210 -11.166 -12.846 1.00 0.00 C ATOM 723 C GLU A 52 3.210 -11.664 -11.807 1.00 0.00 C ATOM 724 O GLU A 52 2.084 -12.035 -12.141 1.00 0.00 O ATOM 725 CB GLU A 52 3.927 -11.822 -14.199 1.00 0.00 C ATOM 726 CG GLU A 52 4.261 -10.936 -15.387 1.00 0.00 C ATOM 727 CD GLU A 52 5.701 -11.085 -15.840 1.00 0.00 C ATOM 728 OE1 GLU A 52 6.550 -11.453 -15.002 1.00 0.00 O ATOM 729 OE2 GLU A 52 5.977 -10.835 -17.031 1.00 0.00 O ATOM 0 H GLU A 52 5.945 -12.339 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 52 4.098 -10.086 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.501 -12.746 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.873 -12.097 -14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.596 -11.180 -16.216 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.073 -9.895 -15.123 1.00 0.00 H new ATOM 736 N ASP A 53 3.629 -11.670 -10.547 1.00 0.00 N ATOM 737 CA ASP A 53 2.770 -12.123 -9.458 1.00 0.00 C ATOM 738 C ASP A 53 2.761 -11.110 -8.317 1.00 0.00 C ATOM 739 O ASP A 53 3.812 -10.635 -7.887 1.00 0.00 O ATOM 740 CB ASP A 53 3.238 -13.485 -8.944 1.00 0.00 C ATOM 741 CG ASP A 53 4.656 -13.446 -8.408 1.00 0.00 C ATOM 742 OD1 ASP A 53 4.889 -12.752 -7.396 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.533 -14.109 -9.001 1.00 0.00 O ATOM 0 H ASP A 53 4.558 -11.367 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 53 1.755 -12.219 -9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.564 -13.824 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.178 -14.215 -9.751 1.00 0.00 H new ATOM 748 N TRP A 54 1.569 -10.785 -7.832 1.00 0.00 N ATOM 749 CA TRP A 54 1.423 -9.827 -6.741 1.00 0.00 C ATOM 750 C TRP A 54 1.708 -10.487 -5.396 1.00 0.00 C ATOM 751 O TRP A 54 1.005 -11.412 -4.987 1.00 0.00 O ATOM 752 CB TRP A 54 0.014 -9.232 -6.743 1.00 0.00 C ATOM 753 CG TRP A 54 -0.193 -8.200 -7.810 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.716 -8.402 -9.055 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.120 -6.805 -7.725 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.747 -7.217 -9.750 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.240 -6.222 -8.956 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.667 -5.992 -6.730 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.068 -4.865 -9.215 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.838 -4.645 -6.988 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.470 -4.092 -8.222 1.00 0.00 C ATOM 0 H TRP A 54 0.689 -11.170 -8.176 1.00 0.00 H new ATOM 0 HA TRP A 54 2.148 -9.027 -6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.711 -10.034 -6.878 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.185 -8.783 -5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.055 -9.353 -9.437 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.092 -7.097 -10.703 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.952 -6.409 -5.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.349 -4.437 -10.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.262 -4.008 -6.226 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.614 -3.035 -8.393 1.00 0.00 H new ATOM 772 N ILE A 55 2.740 -10.005 -4.713 1.00 0.00 N ATOM 773 CA ILE A 55 3.116 -10.548 -3.413 1.00 0.00 C ATOM 774 C ILE A 55 2.365 -9.846 -2.286 1.00 0.00 C ATOM 775 O ILE A 55 2.311 -8.617 -2.233 1.00 0.00 O ATOM 776 CB ILE A 55 4.630 -10.419 -3.165 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.413 -11.084 -4.298 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.002 -11.035 -1.824 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.775 -10.468 -4.535 1.00 0.00 C ATOM 0 H ILE A 55 3.331 -9.240 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 55 2.847 -11.604 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 55 4.890 -9.361 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.537 -12.143 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.830 -11.021 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.076 -10.936 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.467 -10.520 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.731 -12.091 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.273 -10.990 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.658 -9.416 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.376 -10.554 -3.630 1.00 0.00 H new ATOM 791 N VAL A 56 1.789 -10.635 -1.385 1.00 0.00 N ATOM 792 CA VAL A 56 1.044 -10.090 -0.257 1.00 0.00 C ATOM 793 C VAL A 56 1.984 -9.618 0.846 1.00 0.00 C ATOM 794 O VAL A 56 2.814 -10.383 1.338 1.00 0.00 O ATOM 795 CB VAL A 56 0.067 -11.128 0.326 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.654 -10.562 1.539 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.928 -11.577 -0.735 1.00 0.00 C ATOM 0 H VAL A 56 1.824 -11.654 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 56 0.476 -9.240 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 56 0.639 -11.998 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.340 -11.310 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.075 -10.295 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.215 -9.674 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.611 -12.310 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.495 -10.716 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.391 -12.026 -1.570 1.00 0.00 H new ATOM 807 N ALA A 57 1.849 -8.353 1.232 1.00 0.00 N ATOM 808 CA ALA A 57 2.685 -7.780 2.279 1.00 0.00 C ATOM 809 C ALA A 57 2.095 -8.047 3.660 1.00 0.00 C ATOM 810 O ALA A 57 2.723 -8.688 4.501 1.00 0.00 O ATOM 811 CB ALA A 57 2.858 -6.285 2.057 1.00 0.00 C ATOM 0 H ALA A 57 1.168 -7.706 0.835 1.00 0.00 H new ATOM 0 HA ALA A 57 3.663 -8.259 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.485 -5.870 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.331 -6.113 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.882 -5.799 2.075 1.00 0.00 H new ATOM 817 N ASN A 58 0.883 -7.549 3.887 1.00 0.00 N ATOM 818 CA ASN A 58 0.209 -7.732 5.167 1.00 0.00 C ATOM 819 C ASN A 58 -0.218 -9.185 5.353 1.00 0.00 C ATOM 820 O ASN A 58 -0.623 -9.852 4.401 1.00 0.00 O ATOM 821 CB ASN A 58 -1.011 -6.814 5.260 1.00 0.00 C ATOM 822 CG ASN A 58 -2.165 -7.296 4.403 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.974 -7.700 3.256 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.371 -7.257 4.957 1.00 0.00 N ATOM 0 H ASN A 58 0.348 -7.016 3.201 1.00 0.00 H new ATOM 0 HA ASN A 58 0.911 -7.473 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.336 -6.750 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.729 -5.807 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.185 -7.570 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.483 -6.914 5.911 1.00 0.00 H new ATOM 831 N LYS A 59 -0.126 -9.669 6.587 1.00 0.00 N ATOM 832 CA LYS A 59 -0.505 -11.042 6.901 1.00 0.00 C ATOM 833 C LYS A 59 -2.020 -11.211 6.862 1.00 0.00 C ATOM 834 O LYS A 59 -2.546 -11.997 6.073 1.00 0.00 O ATOM 835 CB LYS A 59 0.027 -11.436 8.281 1.00 0.00 C ATOM 836 CG LYS A 59 0.339 -12.917 8.412 1.00 0.00 C ATOM 837 CD LYS A 59 -0.872 -13.702 8.888 1.00 0.00 C ATOM 838 CE LYS A 59 -0.958 -13.726 10.407 1.00 0.00 C ATOM 839 NZ LYS A 59 -2.359 -13.899 10.880 1.00 0.00 N ATOM 0 H LYS A 59 0.208 -9.131 7.386 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.065 -11.695 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.930 -10.863 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.708 -11.160 9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.671 -13.306 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.162 -13.056 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.779 -13.258 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.817 -14.723 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.341 -14.538 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.551 -12.798 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.354 -14.245 11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.855 -12.986 10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.848 -14.587 10.273 1.00 0.00 H new ATOM 853 N ASP A 60 -2.716 -10.469 7.716 1.00 0.00 N ATOM 854 CA ASP A 60 -4.172 -10.535 7.776 1.00 0.00 C ATOM 855 C ASP A 60 -4.793 -9.200 7.378 1.00 0.00 C ATOM 856 O ASP A 60 -5.351 -9.064 6.288 1.00 0.00 O ATOM 857 CB ASP A 60 -4.627 -10.924 9.184 1.00 0.00 C ATOM 858 CG ASP A 60 -3.694 -10.404 10.259 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.559 -10.915 10.356 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.098 -9.487 11.004 1.00 0.00 O ATOM 0 H ASP A 60 -2.296 -9.815 8.376 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.507 -11.295 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.630 -10.535 9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.689 -12.010 9.255 1.00 0.00 H new ATOM 865 N LEU A 61 -4.695 -8.218 8.267 1.00 0.00 N ATOM 866 CA LEU A 61 -5.249 -6.894 8.009 1.00 0.00 C ATOM 867 C LEU A 61 -4.344 -5.805 8.577 1.00 0.00 C ATOM 868 O LEU A 61 -3.595 -6.040 9.526 1.00 0.00 O ATOM 869 CB LEU A 61 -6.649 -6.777 8.614 1.00 0.00 C ATOM 870 CG LEU A 61 -7.677 -7.800 8.130 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.695 -8.092 9.221 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.371 -7.303 6.870 1.00 0.00 C ATOM 0 H LEU A 61 -4.237 -8.314 9.173 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.315 -6.760 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.563 -6.863 9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.032 -5.779 8.402 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.155 -8.727 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.418 -8.822 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.185 -8.492 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.213 -7.172 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.099 -8.044 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.880 -6.363 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.631 -7.146 6.085 1.00 0.00 H new ATOM 884 N ILE A 62 -4.421 -4.614 7.992 1.00 0.00 N ATOM 885 CA ILE A 62 -3.612 -3.489 8.443 1.00 0.00 C ATOM 886 C ILE A 62 -4.419 -2.555 9.338 1.00 0.00 C ATOM 887 O ILE A 62 -5.330 -1.868 8.875 1.00 0.00 O ATOM 888 CB ILE A 62 -3.052 -2.686 7.254 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.424 -3.627 6.225 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.033 -1.664 7.737 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.307 -3.022 4.844 1.00 0.00 C ATOM 0 H ILE A 62 -5.035 -4.404 7.205 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.782 -3.906 9.013 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.874 -2.153 6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.432 -3.919 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.021 -4.537 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.647 -1.105 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.510 -0.977 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.211 -2.177 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.853 -3.746 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.299 -2.755 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.685 -2.128 4.890 1.00 0.00 H new ATOM 903 N ASP A 63 -4.077 -2.533 10.622 1.00 0.00 N ATOM 904 CA ASP A 63 -4.768 -1.681 11.583 1.00 0.00 C ATOM 905 C ASP A 63 -4.555 -0.207 11.253 1.00 0.00 C ATOM 906 O ASP A 63 -5.510 0.530 11.005 1.00 0.00 O ATOM 907 CB ASP A 63 -4.279 -1.975 13.002 1.00 0.00 C ATOM 908 CG ASP A 63 -4.790 -3.302 13.527 1.00 0.00 C ATOM 909 OD1 ASP A 63 -4.755 -4.293 12.769 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.226 -3.349 14.697 1.00 0.00 O ATOM 0 H ASP A 63 -3.325 -3.095 11.021 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.834 -1.898 11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.189 -1.978 13.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.603 -1.175 13.668 1.00 0.00 H new ATOM 915 N LYS A 64 -3.296 0.218 11.253 1.00 0.00 N ATOM 916 CA LYS A 64 -2.956 1.604 10.954 1.00 0.00 C ATOM 917 C LYS A 64 -3.074 1.883 9.459 1.00 0.00 C ATOM 918 O LYS A 64 -3.006 0.967 8.638 1.00 0.00 O ATOM 919 CB LYS A 64 -1.536 1.917 11.431 1.00 0.00 C ATOM 920 CG LYS A 64 -1.417 2.048 12.940 1.00 0.00 C ATOM 921 CD LYS A 64 -0.017 1.704 13.420 1.00 0.00 C ATOM 922 CE LYS A 64 0.086 1.778 14.936 1.00 0.00 C ATOM 923 NZ LYS A 64 1.477 1.536 15.410 1.00 0.00 N ATOM 0 H LYS A 64 -2.494 -0.378 11.457 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.660 2.246 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.865 1.129 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.202 2.845 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.665 3.067 13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.140 1.390 13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.248 0.701 13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.701 2.390 12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.248 2.759 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.583 1.042 15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.505 1.595 16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.787 0.590 15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.112 2.254 15.005 1.00 0.00 H new ATOM 937 N THR A 65 -3.249 3.154 9.110 1.00 0.00 N ATOM 938 CA THR A 65 -3.376 3.553 7.714 1.00 0.00 C ATOM 939 C THR A 65 -2.009 3.679 7.052 1.00 0.00 C ATOM 940 O THR A 65 -1.899 4.129 5.911 1.00 0.00 O ATOM 941 CB THR A 65 -4.125 4.892 7.578 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.304 5.963 8.060 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.433 4.862 8.353 1.00 0.00 C ATOM 0 H THR A 65 -3.306 3.925 9.776 1.00 0.00 H new ATOM 0 HA THR A 65 -3.949 2.773 7.213 1.00 0.00 H new ATOM 0 HB THR A 65 -4.350 5.052 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.786 6.811 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.944 5.818 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.067 4.065 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.227 4.681 9.408 1.00 0.00 H new ATOM 951 N LYS A 66 -0.968 3.277 7.774 1.00 0.00 N ATOM 952 CA LYS A 66 0.393 3.342 7.256 1.00 0.00 C ATOM 953 C LYS A 66 1.040 1.961 7.249 1.00 0.00 C ATOM 954 O LYS A 66 0.817 1.155 8.153 1.00 0.00 O ATOM 955 CB LYS A 66 1.235 4.306 8.096 1.00 0.00 C ATOM 956 CG LYS A 66 2.341 4.990 7.311 1.00 0.00 C ATOM 957 CD LYS A 66 1.861 6.291 6.690 1.00 0.00 C ATOM 958 CE LYS A 66 2.078 7.470 7.627 1.00 0.00 C ATOM 959 NZ LYS A 66 1.126 8.581 7.351 1.00 0.00 N ATOM 0 H LYS A 66 -1.041 2.903 8.720 1.00 0.00 H new ATOM 0 HA LYS A 66 0.347 3.707 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.582 5.066 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.677 3.758 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.186 5.190 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.699 4.322 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.392 6.466 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.802 6.210 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.961 7.140 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.100 7.833 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.090 9.219 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.444 9.111 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.178 8.190 7.174 1.00 0.00 H new ATOM 973 N PHE A 67 1.842 1.693 6.224 1.00 0.00 N ATOM 974 CA PHE A 67 2.522 0.409 6.100 1.00 0.00 C ATOM 975 C PHE A 67 3.963 0.599 5.636 1.00 0.00 C ATOM 976 O PHE A 67 4.263 1.501 4.855 1.00 0.00 O ATOM 977 CB PHE A 67 1.773 -0.495 5.118 1.00 0.00 C ATOM 978 CG PHE A 67 2.284 -1.907 5.094 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.458 -2.222 4.430 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.590 -2.920 5.736 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.932 -3.521 4.406 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.058 -4.220 5.716 1.00 0.00 C ATOM 983 CZ PHE A 67 3.230 -4.521 5.050 1.00 0.00 C ATOM 0 H PHE A 67 2.037 2.348 5.467 1.00 0.00 H new ATOM 0 HA PHE A 67 2.535 -0.064 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.715 -0.504 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.850 -0.072 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.010 -1.443 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.673 -2.691 6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.849 -3.753 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.508 -5.000 6.221 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.597 -5.537 5.033 1.00 0.00 H new ATOM 993 N THR A 68 4.853 -0.259 6.125 1.00 0.00 N ATOM 994 CA THR A 68 6.263 -0.187 5.764 1.00 0.00 C ATOM 995 C THR A 68 6.811 -1.563 5.405 1.00 0.00 C ATOM 996 O THR A 68 6.667 -2.517 6.170 1.00 0.00 O ATOM 997 CB THR A 68 7.107 0.406 6.909 1.00 0.00 C ATOM 998 OG1 THR A 68 6.648 1.725 7.224 1.00 0.00 O ATOM 999 CG2 THR A 68 8.579 0.452 6.529 1.00 0.00 C ATOM 0 H THR A 68 4.622 -1.012 6.773 1.00 0.00 H new ATOM 0 HA THR A 68 6.332 0.467 4.894 1.00 0.00 H new ATOM 0 HB THR A 68 6.994 -0.235 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.189 2.094 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.154 0.874 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.932 -0.558 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.707 1.072 5.642 1.00 0.00 H new ATOM 1007 N ILE A 69 7.438 -1.659 4.238 1.00 0.00 N ATOM 1008 CA ILE A 69 8.009 -2.919 3.778 1.00 0.00 C ATOM 1009 C ILE A 69 9.478 -3.033 4.170 1.00 0.00 C ATOM 1010 O ILE A 69 10.275 -2.133 3.904 1.00 0.00 O ATOM 1011 CB ILE A 69 7.883 -3.071 2.251 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.435 -2.842 1.811 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.364 -4.446 1.814 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.311 -2.268 0.417 1.00 0.00 C ATOM 0 H ILE A 69 7.564 -0.879 3.593 1.00 0.00 H new ATOM 0 HA ILE A 69 7.444 -3.716 4.261 1.00 0.00 H new ATOM 0 HB ILE A 69 8.511 -2.319 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.896 -3.789 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.951 -2.167 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.269 -4.538 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.409 -4.573 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.760 -5.214 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.258 -2.132 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.821 -1.306 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.765 -2.952 -0.300 1.00 0.00 H new ATOM 1026 N THR A 70 9.831 -4.147 4.804 1.00 0.00 N ATOM 1027 CA THR A 70 11.205 -4.379 5.232 1.00 0.00 C ATOM 1028 C THR A 70 11.903 -5.382 4.321 1.00 0.00 C ATOM 1029 O THR A 70 11.307 -6.372 3.900 1.00 0.00 O ATOM 1030 CB THR A 70 11.261 -4.896 6.683 1.00 0.00 C ATOM 1031 OG1 THR A 70 10.367 -6.002 6.844 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.894 -3.793 7.664 1.00 0.00 C ATOM 0 H THR A 70 9.185 -4.902 5.032 1.00 0.00 H new ATOM 0 HA THR A 70 11.720 -3.420 5.174 1.00 0.00 H new ATOM 0 HB THR A 70 12.280 -5.221 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.410 -6.326 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.940 -4.181 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.595 -2.965 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.883 -3.442 7.455 1.00 0.00 H new ATOM 1040 N GLY A 71 13.171 -5.118 4.019 1.00 0.00 N ATOM 1041 CA GLY A 71 13.929 -6.008 3.159 1.00 0.00 C ATOM 1042 C GLY A 71 13.737 -5.695 1.689 1.00 0.00 C ATOM 1043 O GLY A 71 13.210 -6.515 0.935 1.00 0.00 O ATOM 0 H GLY A 71 13.686 -4.304 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.988 -5.934 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.627 -7.038 3.351 1.00 0.00 H new ATOM 1047 N LEU A 72 14.165 -4.506 1.278 1.00 0.00 N ATOM 1048 CA LEU A 72 14.036 -4.086 -0.113 1.00 0.00 C ATOM 1049 C LEU A 72 15.388 -3.671 -0.684 1.00 0.00 C ATOM 1050 O LEU A 72 16.112 -2.860 -0.106 1.00 0.00 O ATOM 1051 CB LEU A 72 13.045 -2.926 -0.227 1.00 0.00 C ATOM 1052 CG LEU A 72 11.567 -3.290 -0.078 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.724 -2.037 0.100 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.091 -4.088 -1.284 1.00 0.00 C ATOM 0 H LEU A 72 14.604 -3.816 1.888 1.00 0.00 H new ATOM 0 HA LEU A 72 13.663 -4.933 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.295 -2.185 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.185 -2.448 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 72 11.453 -3.909 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.675 -2.316 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.049 -1.504 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.843 -1.392 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.037 -4.339 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.220 -3.493 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.675 -5.005 -1.367 1.00 0.00 H new ATOM 1066 N PRO A 73 15.739 -4.238 -1.848 1.00 0.00 N ATOM 1067 CA PRO A 73 17.004 -3.940 -2.525 1.00 0.00 C ATOM 1068 C PRO A 73 17.040 -2.525 -3.091 1.00 0.00 C ATOM 1069 O PRO A 73 16.131 -2.109 -3.809 1.00 0.00 O ATOM 1070 CB PRO A 73 17.053 -4.970 -3.656 1.00 0.00 C ATOM 1071 CG PRO A 73 15.627 -5.310 -3.921 1.00 0.00 C ATOM 1072 CD PRO A 73 14.925 -5.213 -2.594 1.00 0.00 C ATOM 0 HA PRO A 73 17.853 -3.995 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.534 -4.560 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.623 -5.852 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.190 -4.622 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.536 -6.313 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.896 -4.873 -2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.888 -6.177 -2.087 1.00 0.00 H new ATOM 1080 N THR A 74 18.097 -1.788 -2.763 1.00 0.00 N ATOM 1081 CA THR A 74 18.251 -0.419 -3.238 1.00 0.00 C ATOM 1082 C THR A 74 18.154 -0.350 -4.758 1.00 0.00 C ATOM 1083 O THR A 74 18.410 -1.335 -5.451 1.00 0.00 O ATOM 1084 CB THR A 74 19.598 0.183 -2.793 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.779 -0.010 -1.386 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.662 1.667 -3.119 1.00 0.00 C ATOM 0 H THR A 74 18.859 -2.117 -2.170 1.00 0.00 H new ATOM 0 HA THR A 74 17.440 0.161 -2.798 1.00 0.00 H new ATOM 0 HB THR A 74 20.395 -0.326 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.905 -0.033 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.622 2.070 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.553 1.808 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.857 2.188 -2.601 1.00 0.00 H new ATOM 1094 N ASP A 75 17.785 0.819 -5.270 1.00 0.00 N ATOM 1095 CA ASP A 75 17.656 1.016 -6.709 1.00 0.00 C ATOM 1096 C ASP A 75 16.716 -0.020 -7.318 1.00 0.00 C ATOM 1097 O ASP A 75 16.922 -0.474 -8.443 1.00 0.00 O ATOM 1098 CB ASP A 75 19.027 0.936 -7.381 1.00 0.00 C ATOM 1099 CG ASP A 75 19.752 2.268 -7.378 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.814 2.907 -6.307 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.258 2.671 -8.447 1.00 0.00 O ATOM 0 H ASP A 75 17.570 1.644 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 75 17.234 2.007 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.637 0.192 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.905 0.594 -8.409 1.00 0.00 H new ATOM 1106 N ALA A 76 15.684 -0.389 -6.566 1.00 0.00 N ATOM 1107 CA ALA A 76 14.712 -1.371 -7.032 1.00 0.00 C ATOM 1108 C ALA A 76 13.335 -0.740 -7.206 1.00 0.00 C ATOM 1109 O ALA A 76 12.838 -0.052 -6.314 1.00 0.00 O ATOM 1110 CB ALA A 76 14.639 -2.542 -6.064 1.00 0.00 C ATOM 0 H ALA A 76 15.499 -0.023 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 76 15.041 -1.738 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.909 -3.267 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.618 -3.017 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.337 -2.183 -5.080 1.00 0.00 H new ATOM 1116 N LYS A 77 12.723 -0.976 -8.362 1.00 0.00 N ATOM 1117 CA LYS A 77 11.402 -0.432 -8.654 1.00 0.00 C ATOM 1118 C LYS A 77 10.312 -1.452 -8.343 1.00 0.00 C ATOM 1119 O LYS A 77 10.307 -2.555 -8.891 1.00 0.00 O ATOM 1120 CB LYS A 77 11.316 -0.009 -10.122 1.00 0.00 C ATOM 1121 CG LYS A 77 12.009 1.310 -10.417 1.00 0.00 C ATOM 1122 CD LYS A 77 11.601 1.863 -11.773 1.00 0.00 C ATOM 1123 CE LYS A 77 12.076 3.296 -11.956 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.162 4.271 -11.297 1.00 0.00 N ATOM 0 H LYS A 77 13.121 -1.541 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 77 11.248 0.442 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.758 -0.789 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.267 0.069 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.763 2.033 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.089 1.168 -10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.017 1.237 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.516 1.823 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.079 3.402 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.144 3.523 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.546 5.232 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.224 4.223 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.077 4.039 -10.287 1.00 0.00 H new ATOM 1138 N ILE A 78 9.391 -1.077 -7.462 1.00 0.00 N ATOM 1139 CA ILE A 78 8.294 -1.958 -7.081 1.00 0.00 C ATOM 1140 C ILE A 78 6.966 -1.209 -7.064 1.00 0.00 C ATOM 1141 O ILE A 78 6.933 0.014 -6.931 1.00 0.00 O ATOM 1142 CB ILE A 78 8.534 -2.588 -5.696 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.465 -1.516 -4.606 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.878 -3.299 -5.663 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.059 -1.230 -4.128 1.00 0.00 C ATOM 0 H ILE A 78 9.383 -0.169 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 78 8.251 -2.750 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 78 7.752 -3.323 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.071 -1.833 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.905 -0.594 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.033 -3.739 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.892 -4.085 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.674 -2.583 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.086 -0.461 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.454 -0.883 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.622 -2.140 -3.718 1.00 0.00 H new ATOM 1157 N PHE A 79 5.873 -1.952 -7.199 1.00 0.00 N ATOM 1158 CA PHE A 79 4.541 -1.358 -7.199 1.00 0.00 C ATOM 1159 C PHE A 79 3.858 -1.556 -5.848 1.00 0.00 C ATOM 1160 O PHE A 79 4.245 -2.422 -5.065 1.00 0.00 O ATOM 1161 CB PHE A 79 3.686 -1.971 -8.310 1.00 0.00 C ATOM 1162 CG PHE A 79 4.259 -1.776 -9.684 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.043 -0.596 -10.379 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.014 -2.772 -10.282 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.570 -0.414 -11.643 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.544 -2.595 -11.546 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.321 -1.415 -12.228 1.00 0.00 C ATOM 0 H PHE A 79 5.883 -2.966 -7.310 1.00 0.00 H new ATOM 0 HA PHE A 79 4.647 -0.288 -7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.570 -3.038 -8.121 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.689 -1.531 -8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.456 0.190 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.190 -3.698 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.395 0.510 -12.173 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.132 -3.379 -12.000 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.733 -1.275 -13.217 1.00 0.00 H new ATOM 1177 N VAL A 80 2.839 -0.745 -5.583 1.00 0.00 N ATOM 1178 CA VAL A 80 2.100 -0.830 -4.329 1.00 0.00 C ATOM 1179 C VAL A 80 0.609 -0.602 -4.552 1.00 0.00 C ATOM 1180 O VAL A 80 0.191 0.481 -4.961 1.00 0.00 O ATOM 1181 CB VAL A 80 2.617 0.196 -3.303 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.721 0.221 -2.074 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.056 -0.114 -2.918 1.00 0.00 C ATOM 0 H VAL A 80 2.506 -0.021 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 80 2.256 -1.835 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 80 2.593 1.185 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.102 0.952 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.708 0.495 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.710 -0.766 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.405 0.621 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.109 -1.110 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.687 -0.075 -3.806 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.188 -1.630 -4.279 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.633 -1.542 -4.451 1.00 0.00 C ATOM 1195 C ARG A 81 -2.352 -1.753 -3.122 1.00 0.00 C ATOM 1196 O ARG A 81 -1.998 -2.641 -2.346 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.110 -2.577 -5.471 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.446 -2.443 -6.832 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.799 -1.121 -7.495 1.00 0.00 C ATOM 1200 NE ARG A 81 -0.845 -0.068 -7.158 1.00 0.00 N ATOM 1201 CZ ARG A 81 0.294 0.128 -7.812 1.00 0.00 C ATOM 1202 NH1 ARG A 81 0.620 -0.653 -8.833 1.00 0.00 N ATOM 1203 NH2 ARG A 81 1.111 1.108 -7.446 1.00 0.00 N ATOM 0 H ARG A 81 0.142 -2.533 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.870 -0.544 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.918 -3.576 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.189 -2.484 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.364 -2.518 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.758 -3.268 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.826 -1.254 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.799 -0.816 -7.187 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.066 0.551 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.005 -1.407 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.496 -0.500 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.864 1.712 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.986 1.258 -7.949 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.363 -0.929 -2.865 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.132 -1.025 -1.630 1.00 0.00 C ATOM 1219 C VAL A 82 -5.628 -1.082 -1.918 1.00 0.00 C ATOM 1220 O VAL A 82 -6.146 -0.314 -2.728 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.846 0.166 -0.696 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.466 0.033 -0.069 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -3.972 1.479 -1.453 1.00 0.00 C ATOM 0 H VAL A 82 -3.668 -0.188 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.824 -1.947 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.585 0.163 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.281 0.883 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.416 -0.890 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.710 0.010 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.767 2.310 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.257 1.495 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.983 1.575 -1.849 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.319 -1.998 -1.248 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.758 -2.156 -1.429 1.00 0.00 C ATOM 1235 C LYS A 83 -8.469 -2.249 -0.082 1.00 0.00 C ATOM 1236 O LYS A 83 -7.827 -2.297 0.967 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.053 -3.406 -2.261 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.213 -4.610 -1.871 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.034 -5.567 -3.037 1.00 0.00 C ATOM 1240 CE LYS A 83 -8.144 -6.607 -3.079 1.00 0.00 C ATOM 1241 NZ LYS A 83 -9.378 -6.075 -3.720 1.00 0.00 N ATOM 0 H LYS A 83 -5.906 -2.643 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.132 -1.279 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.108 -3.661 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.882 -3.180 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.237 -4.275 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.688 -5.132 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.024 -5.006 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.069 -6.066 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.799 -7.484 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.374 -6.934 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.155 -6.755 -3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.635 -5.169 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.207 -5.929 -4.735 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.797 -2.276 -0.120 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.594 -2.367 1.097 1.00 0.00 C ATOM 1257 C ALA A 84 -11.283 -3.723 1.201 1.00 0.00 C ATOM 1258 O ALA A 84 -11.736 -4.279 0.201 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.622 -1.246 1.139 1.00 0.00 C ATOM 0 H ALA A 84 -10.344 -2.236 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.924 -2.263 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.210 -1.326 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.111 -0.283 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.282 -1.325 0.275 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.359 -4.251 2.419 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.993 -5.542 2.654 1.00 0.00 C ATOM 1267 C VAL A 85 -12.835 -5.518 3.925 1.00 0.00 C ATOM 1268 O VAL A 85 -12.336 -5.207 5.006 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.949 -6.669 2.765 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.630 -8.029 2.778 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.945 -6.577 1.626 1.00 0.00 C ATOM 0 H VAL A 85 -10.989 -3.804 3.258 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.638 -5.738 1.797 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.410 -6.551 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.876 -8.813 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.306 -8.089 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.196 -8.161 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.214 -7.380 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.466 -6.669 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.434 -5.615 1.668 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.115 -5.849 3.788 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.027 -5.865 4.925 1.00 0.00 C ATOM 1283 C ASN A 86 -16.095 -6.940 4.752 1.00 0.00 C ATOM 1284 O ASN A 86 -16.225 -7.532 3.681 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.689 -4.495 5.094 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.148 -3.908 3.774 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.271 -4.150 3.331 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.278 -3.133 3.137 1.00 0.00 N ATOM 0 H ASN A 86 -14.544 -6.110 2.900 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.448 -6.095 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.544 -4.588 5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.985 -3.811 5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.530 -2.711 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.358 -2.960 3.542 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.856 -7.187 5.812 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.915 -8.189 5.777 1.00 0.00 C ATOM 1297 C ALA A 87 -18.602 -8.213 4.416 1.00 0.00 C ATOM 1298 O ALA A 87 -18.902 -9.279 3.881 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.930 -7.923 6.879 1.00 0.00 C ATOM 0 H ALA A 87 -16.759 -6.707 6.707 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.463 -9.167 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.715 -8.679 6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.434 -7.964 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.370 -6.936 6.738 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.850 -7.030 3.862 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.501 -6.917 2.563 1.00 0.00 C ATOM 1307 C ALA A 88 -18.728 -7.681 1.493 1.00 0.00 C ATOM 1308 O ALA A 88 -19.245 -8.625 0.896 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.643 -5.454 2.170 1.00 0.00 C ATOM 0 H ALA A 88 -18.610 -6.137 4.293 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.494 -7.359 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.131 -5.384 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.244 -4.934 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.656 -4.995 2.115 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.488 -7.266 1.255 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.665 -7.923 0.256 1.00 0.00 C ATOM 1317 C GLY A 89 -15.303 -7.274 0.110 1.00 0.00 C ATOM 1318 O GLY A 89 -14.628 -7.001 1.102 1.00 0.00 O ATOM 0 H GLY A 89 -17.038 -6.487 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.538 -8.971 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.179 -7.902 -0.705 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.896 -7.029 -1.132 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.605 -6.409 -1.404 1.00 0.00 C ATOM 1324 C ALA A 90 -13.731 -5.325 -2.470 1.00 0.00 C ATOM 1325 O ALA A 90 -14.590 -5.403 -3.349 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.595 -7.461 -1.835 1.00 0.00 C ATOM 0 H ALA A 90 -15.442 -7.250 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.254 -5.939 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.636 -6.984 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.475 -8.198 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.949 -7.957 -2.739 1.00 0.00 H new ATOM 1332 N SER A 91 -12.871 -4.316 -2.386 1.00 0.00 N ATOM 1333 CA SER A 91 -12.889 -3.214 -3.341 1.00 0.00 C ATOM 1334 C SER A 91 -11.687 -3.288 -4.278 1.00 0.00 C ATOM 1335 O SER A 91 -10.707 -3.975 -3.994 1.00 0.00 O ATOM 1336 CB SER A 91 -12.894 -1.873 -2.605 1.00 0.00 C ATOM 1337 OG SER A 91 -13.160 -0.803 -3.495 1.00 0.00 O ATOM 0 H SER A 91 -12.152 -4.238 -1.666 1.00 0.00 H new ATOM 0 HA SER A 91 -13.798 -3.297 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.647 -1.890 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.930 -1.717 -2.121 1.00 0.00 H new ATOM 0 HG SER A 91 -14.127 -0.649 -3.541 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.773 -2.575 -5.397 1.00 0.00 N ATOM 1344 CA GLU A 92 -10.693 -2.561 -6.377 1.00 0.00 C ATOM 1345 C GLU A 92 -9.442 -1.905 -5.799 1.00 0.00 C ATOM 1346 O GLU A 92 -9.511 -0.919 -5.064 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.132 -1.820 -7.642 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.180 -0.310 -7.478 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.366 0.414 -8.797 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -12.232 -0.009 -9.590 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -10.645 1.406 -9.035 1.00 0.00 O ATOM 0 H GLU A 92 -12.578 -2.001 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.456 -3.594 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.448 -2.067 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.119 -2.176 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.996 -0.047 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.257 0.030 -7.008 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.271 -2.464 -6.138 1.00 0.00 N ATOM 1359 CA PRO A 93 -6.982 -1.951 -5.664 1.00 0.00 C ATOM 1360 C PRO A 93 -6.631 -0.604 -6.286 1.00 0.00 C ATOM 1361 O PRO A 93 -6.946 -0.343 -7.447 1.00 0.00 O ATOM 1362 CB PRO A 93 -5.987 -3.023 -6.113 1.00 0.00 C ATOM 1363 CG PRO A 93 -6.637 -3.678 -7.283 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.115 -3.640 -7.010 1.00 0.00 C ATOM 0 HA PRO A 93 -6.983 -1.776 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.028 -2.583 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.792 -3.740 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.397 -3.153 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.288 -4.704 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.691 -3.537 -7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.457 -4.552 -6.520 1.00 0.00 H new ATOM 1372 N LYS A 94 -5.975 0.250 -5.507 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.578 1.570 -5.981 1.00 0.00 C ATOM 1374 C LYS A 94 -4.228 1.511 -6.688 1.00 0.00 C ATOM 1375 O LYS A 94 -3.221 1.129 -6.092 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.511 2.556 -4.812 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.816 3.990 -5.208 1.00 0.00 C ATOM 1378 CD LYS A 94 -4.564 4.722 -5.660 1.00 0.00 C ATOM 1379 CE LYS A 94 -4.721 6.229 -5.527 1.00 0.00 C ATOM 1380 NZ LYS A 94 -3.503 6.956 -5.983 1.00 0.00 N ATOM 0 H LYS A 94 -5.707 0.051 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.327 1.913 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.216 2.243 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.516 2.514 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.553 3.998 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.260 4.515 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.713 4.390 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.347 4.468 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.580 6.558 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.927 6.482 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.532 7.935 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.656 6.481 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.470 6.960 -7.022 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.215 1.892 -7.961 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.988 1.882 -8.749 1.00 0.00 C ATOM 1396 C TYR A 95 -2.266 3.222 -8.651 1.00 0.00 C ATOM 1397 O TYR A 95 -2.726 4.229 -9.191 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.300 1.563 -10.212 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.521 0.091 -10.477 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.768 -0.491 -10.285 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.482 -0.719 -10.920 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.974 -1.835 -10.525 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.679 -2.064 -11.165 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.926 -2.618 -10.965 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.128 -3.957 -11.207 1.00 0.00 O ATOM 0 H TYR A 95 -5.040 2.211 -8.469 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.334 1.108 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.190 2.115 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.479 1.916 -10.835 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.591 0.119 -9.942 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.503 -0.289 -11.075 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.950 -2.271 -10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.861 -2.678 -11.511 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.290 -4.364 -11.512 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.132 3.227 -7.960 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.346 4.443 -7.789 1.00 0.00 C ATOM 1417 C TYR A 96 0.122 4.983 -9.137 1.00 0.00 C ATOM 1418 O TYR A 96 0.787 4.283 -9.901 1.00 0.00 O ATOM 1419 CB TYR A 96 0.860 4.174 -6.888 1.00 0.00 C ATOM 1420 CG TYR A 96 1.414 5.418 -6.230 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.754 6.534 -6.984 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.597 5.476 -4.854 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.262 7.672 -6.388 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.103 6.611 -4.249 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.434 7.705 -5.020 1.00 0.00 C ATOM 1426 OH TYR A 96 2.938 8.837 -4.421 1.00 0.00 O ATOM 0 H TYR A 96 -0.736 2.402 -7.509 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.982 5.193 -7.318 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.573 3.461 -6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.647 3.705 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.619 6.512 -8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.340 4.620 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.523 8.530 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.238 6.641 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 96 2.683 9.625 -4.944 1.00 0.00 H new ATOM 1436 N SER A 97 -0.229 6.233 -9.421 1.00 0.00 N ATOM 1437 CA SER A 97 0.152 6.867 -10.677 1.00 0.00 C ATOM 1438 C SER A 97 1.532 6.397 -11.127 1.00 0.00 C ATOM 1439 O SER A 97 1.660 5.665 -12.107 1.00 0.00 O ATOM 1440 CB SER A 97 0.142 8.390 -10.528 1.00 0.00 C ATOM 1441 OG SER A 97 0.976 8.802 -9.459 1.00 0.00 O ATOM 0 H SER A 97 -0.777 6.827 -8.798 1.00 0.00 H new ATOM 0 HA SER A 97 -0.575 6.579 -11.436 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.480 8.852 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.877 8.735 -10.353 1.00 0.00 H new ATOM 0 HG SER A 97 0.954 9.779 -9.385 1.00 0.00 H new ATOM 1447 N GLN A 98 2.561 6.825 -10.402 1.00 0.00 N ATOM 1448 CA GLN A 98 3.932 6.449 -10.726 1.00 0.00 C ATOM 1449 C GLN A 98 4.463 5.421 -9.732 1.00 0.00 C ATOM 1450 O GLN A 98 3.995 5.318 -8.598 1.00 0.00 O ATOM 1451 CB GLN A 98 4.834 7.684 -10.732 1.00 0.00 C ATOM 1452 CG GLN A 98 4.861 8.411 -12.067 1.00 0.00 C ATOM 1453 CD GLN A 98 6.010 9.395 -12.172 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.509 9.894 -11.163 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.436 9.679 -13.397 1.00 0.00 N ATOM 0 H GLN A 98 2.471 7.432 -9.587 1.00 0.00 H new ATOM 0 HA GLN A 98 3.935 6.002 -11.720 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.496 8.374 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.849 7.384 -10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.938 7.681 -12.873 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.919 8.942 -12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.993 9.242 -14.205 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.206 10.334 -13.530 1.00 0.00 H new ATOM 1464 N PRO A 99 5.465 4.642 -10.165 1.00 0.00 N ATOM 1465 CA PRO A 99 6.083 3.608 -9.329 1.00 0.00 C ATOM 1466 C PRO A 99 6.905 4.199 -8.189 1.00 0.00 C ATOM 1467 O PRO A 99 7.200 5.395 -8.179 1.00 0.00 O ATOM 1468 CB PRO A 99 6.988 2.855 -10.307 1.00 0.00 C ATOM 1469 CG PRO A 99 7.296 3.845 -11.377 1.00 0.00 C ATOM 1470 CD PRO A 99 6.073 4.710 -11.505 1.00 0.00 C ATOM 0 HA PRO A 99 5.338 2.977 -8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.897 2.506 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.487 1.976 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.170 4.442 -11.117 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.520 3.344 -12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.331 5.733 -11.778 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.396 4.337 -12.273 1.00 0.00 H new ATOM 1478 N ILE A 100 7.272 3.355 -7.231 1.00 0.00 N ATOM 1479 CA ILE A 100 8.062 3.795 -6.088 1.00 0.00 C ATOM 1480 C ILE A 100 9.461 3.189 -6.121 1.00 0.00 C ATOM 1481 O ILE A 100 9.621 1.968 -6.148 1.00 0.00 O ATOM 1482 CB ILE A 100 7.384 3.419 -4.757 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.892 3.758 -4.806 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.058 4.137 -3.598 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.041 2.870 -3.926 1.00 0.00 C ATOM 0 H ILE A 100 7.035 2.363 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 100 8.137 4.880 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 100 7.489 2.345 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.753 4.796 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.543 3.677 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.568 3.861 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.109 3.851 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.981 5.215 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.996 3.168 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.150 1.833 -4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.363 2.969 -2.889 1.00 0.00 H new ATOM 1497 N LEU A 101 10.472 4.051 -6.117 1.00 0.00 N ATOM 1498 CA LEU A 101 11.860 3.602 -6.144 1.00 0.00 C ATOM 1499 C LEU A 101 12.460 3.600 -4.742 1.00 0.00 C ATOM 1500 O LEU A 101 12.717 4.657 -4.164 1.00 0.00 O ATOM 1501 CB LEU A 101 12.689 4.499 -7.065 1.00 0.00 C ATOM 1502 CG LEU A 101 14.027 3.926 -7.534 1.00 0.00 C ATOM 1503 CD1 LEU A 101 13.805 2.763 -8.488 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.868 5.008 -8.195 1.00 0.00 C ATOM 0 H LEU A 101 10.357 5.064 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 101 11.878 2.582 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.090 4.736 -7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.881 5.439 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 101 14.567 3.556 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.768 2.368 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.243 1.979 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.244 3.107 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.816 4.582 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.334 5.409 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.057 5.809 -7.480 1.00 0.00 H new ATOM 1516 N VAL A 102 12.683 2.407 -4.200 1.00 0.00 N ATOM 1517 CA VAL A 102 13.256 2.267 -2.867 1.00 0.00 C ATOM 1518 C VAL A 102 14.648 2.885 -2.799 1.00 0.00 C ATOM 1519 O VAL A 102 15.647 2.226 -3.089 1.00 0.00 O ATOM 1520 CB VAL A 102 13.341 0.789 -2.444 1.00 0.00 C ATOM 1521 CG1 VAL A 102 13.759 -0.079 -3.621 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.305 0.623 -1.280 1.00 0.00 C ATOM 0 H VAL A 102 12.475 1.523 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 102 12.593 2.795 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 102 12.353 0.465 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.814 -1.120 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.027 0.018 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.736 0.243 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.353 -0.428 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.297 0.964 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.958 1.214 -0.433 1.00 0.00 H new ATOM 1532 N LYS A 103 14.707 4.155 -2.414 1.00 0.00 N ATOM 1533 CA LYS A 103 15.977 4.864 -2.306 1.00 0.00 C ATOM 1534 C LYS A 103 16.007 5.740 -1.058 1.00 0.00 C ATOM 1535 O LYS A 103 14.967 6.198 -0.586 1.00 0.00 O ATOM 1536 CB LYS A 103 16.213 5.723 -3.550 1.00 0.00 C ATOM 1537 CG LYS A 103 17.629 6.261 -3.659 1.00 0.00 C ATOM 1538 CD LYS A 103 18.627 5.151 -3.943 1.00 0.00 C ATOM 1539 CE LYS A 103 19.994 5.710 -4.307 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.744 6.168 -3.105 1.00 0.00 N ATOM 0 H LYS A 103 13.890 4.715 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 103 16.772 4.123 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.989 5.131 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.515 6.560 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.676 7.006 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.900 6.766 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.717 4.508 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.258 4.529 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.572 4.946 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.873 6.543 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.670 6.542 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.204 6.915 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.882 5.367 -2.456 1.00 0.00 H new ATOM 1554 N GLU A 104 17.205 5.969 -0.529 1.00 0.00 N ATOM 1555 CA GLU A 104 17.368 6.790 0.664 1.00 0.00 C ATOM 1556 C GLU A 104 17.573 8.256 0.292 1.00 0.00 C ATOM 1557 O GLU A 104 18.012 8.571 -0.814 1.00 0.00 O ATOM 1558 CB GLU A 104 18.554 6.293 1.495 1.00 0.00 C ATOM 1559 CG GLU A 104 18.752 7.060 2.792 1.00 0.00 C ATOM 1560 CD GLU A 104 19.842 6.462 3.661 1.00 0.00 C ATOM 1561 OE1 GLU A 104 19.583 5.428 4.311 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.954 7.030 3.691 1.00 0.00 O ATOM 0 H GLU A 104 18.076 5.597 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 104 16.458 6.707 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.409 5.238 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.462 6.367 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.002 8.096 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.815 7.074 3.349 1.00 0.00 H new ATOM 1569 N SER A 105 17.252 9.148 1.224 1.00 0.00 N ATOM 1570 CA SER A 105 17.396 10.580 0.993 1.00 0.00 C ATOM 1571 C SER A 105 18.481 11.169 1.889 1.00 0.00 C ATOM 1572 O SER A 105 18.308 12.238 2.473 1.00 0.00 O ATOM 1573 CB SER A 105 16.067 11.295 1.245 1.00 0.00 C ATOM 1574 OG SER A 105 15.696 11.216 2.610 1.00 0.00 O ATOM 0 H SER A 105 16.891 8.904 2.146 1.00 0.00 H new ATOM 0 HA SER A 105 17.688 10.727 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.151 12.340 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.288 10.849 0.627 1.00 0.00 H new ATOM 0 HG SER A 105 14.844 11.682 2.745 1.00 0.00 H new ATOM 1580 N GLY A 106 19.602 10.461 1.994 1.00 0.00 N ATOM 1581 CA GLY A 106 20.699 10.927 2.821 1.00 0.00 C ATOM 1582 C GLY A 106 21.998 11.046 2.049 1.00 0.00 C ATOM 1583 O GLY A 106 22.809 10.120 2.010 1.00 0.00 O ATOM 0 H GLY A 106 19.769 9.573 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 106 20.443 11.897 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 106 20.838 10.240 3.656 1.00 0.00 H new ATOM 1587 N PRO A 107 22.209 12.208 1.414 1.00 0.00 N ATOM 1588 CA PRO A 107 23.417 12.471 0.625 1.00 0.00 C ATOM 1589 C PRO A 107 24.660 12.609 1.498 1.00 0.00 C ATOM 1590 O PRO A 107 25.781 12.398 1.035 1.00 0.00 O ATOM 1591 CB PRO A 107 23.103 13.797 -0.072 1.00 0.00 C ATOM 1592 CG PRO A 107 22.103 14.462 0.810 1.00 0.00 C ATOM 1593 CD PRO A 107 21.286 13.355 1.417 1.00 0.00 C ATOM 0 HA PRO A 107 23.641 11.655 -0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 107 23.999 14.407 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 107 22.702 13.633 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 107 22.595 15.052 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 107 21.473 15.145 0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 107 20.958 13.604 2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 107 20.389 13.151 0.832 1.00 0.00 H new ATOM 1601 N SER A 108 24.454 12.964 2.762 1.00 0.00 N ATOM 1602 CA SER A 108 25.559 13.133 3.699 1.00 0.00 C ATOM 1603 C SER A 108 25.877 11.820 4.406 1.00 0.00 C ATOM 1604 O SER A 108 25.004 11.205 5.019 1.00 0.00 O ATOM 1605 CB SER A 108 25.221 14.212 4.729 1.00 0.00 C ATOM 1606 OG SER A 108 26.372 14.599 5.459 1.00 0.00 O ATOM 0 H SER A 108 23.532 13.140 3.161 1.00 0.00 H new ATOM 0 HA SER A 108 26.438 13.443 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 108 24.797 15.081 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 108 24.460 13.839 5.415 1.00 0.00 H new ATOM 0 HG SER A 108 26.130 15.291 6.109 1.00 0.00 H new ATOM 1612 N SER A 109 27.133 11.396 4.317 1.00 0.00 N ATOM 1613 CA SER A 109 27.568 10.153 4.945 1.00 0.00 C ATOM 1614 C SER A 109 28.047 10.405 6.371 1.00 0.00 C ATOM 1615 O SER A 109 28.584 11.468 6.679 1.00 0.00 O ATOM 1616 CB SER A 109 28.686 9.507 4.125 1.00 0.00 C ATOM 1617 OG SER A 109 28.159 8.773 3.034 1.00 0.00 O ATOM 0 H SER A 109 27.868 11.895 3.816 1.00 0.00 H new ATOM 0 HA SER A 109 26.716 9.474 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 109 29.363 10.278 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 109 29.273 8.846 4.762 1.00 0.00 H new ATOM 0 HG SER A 109 28.894 8.371 2.525 1.00 0.00 H new ATOM 1623 N GLY A 110 27.849 9.416 7.238 1.00 0.00 N ATOM 1624 CA GLY A 110 28.266 9.549 8.622 1.00 0.00 C ATOM 1625 C GLY A 110 28.260 8.224 9.359 1.00 0.00 C ATOM 1626 O GLY A 110 27.259 7.507 9.352 1.00 0.00 O ATOM 0 H GLY A 110 27.408 8.526 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 110 29.268 9.976 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 110 27.604 10.248 9.132 1.00 0.00 H new TER 1630 GLY A 110