USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0951 (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 42:sc= 0.658 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -130:sc= 0.0563 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0135 K(o=-0.013,f=-0.98) USER MOD Single : A 14 HIS : no HE2:sc= -0.985! C(o=-0.98!,f=-5.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=0.000518 USER MOD Single : A 25 THR OG1 : rot 26:sc= -2.06! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 48 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 52 SER OG : rot 180:sc= 0.294 USER MOD Single : A 59 ASN : amide:sc= -1.44! C(o=-1.4!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0.0934 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 1.19 USER MOD Single : A 87 ASN : amide:sc= -5.75! C(o=-5.7!,f=-9.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.00874 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.517 30.558 4.297 1.00 0.00 N ATOM 2 CA GLY A 1 8.642 30.230 5.156 1.00 0.00 C ATOM 3 C GLY A 1 9.174 28.828 4.851 1.00 0.00 C ATOM 4 O GLY A 1 8.855 28.252 3.812 1.00 0.00 O ATOM 0 H1 GLY A 1 7.673 31.490 3.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.428 29.838 3.552 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.644 30.581 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.437 30.963 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.336 30.287 6.200 1.00 0.00 H new ATOM 8 N SER A 2 9.977 28.320 5.775 1.00 0.00 N ATOM 9 CA SER A 2 10.557 26.997 5.617 1.00 0.00 C ATOM 10 C SER A 2 9.490 25.927 5.853 1.00 0.00 C ATOM 11 O SER A 2 9.220 25.109 4.975 1.00 0.00 O ATOM 12 CB SER A 2 11.733 26.794 6.573 1.00 0.00 C ATOM 13 OG SER A 2 12.927 27.402 6.087 1.00 0.00 O ATOM 0 H SER A 2 10.239 28.801 6.635 1.00 0.00 H new ATOM 0 HA SER A 2 10.933 26.907 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.484 27.213 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.902 25.727 6.718 1.00 0.00 H new ATOM 0 HG SER A 2 13.654 27.252 6.726 1.00 0.00 H new ATOM 19 N SER A 3 8.911 25.967 7.044 1.00 0.00 N ATOM 20 CA SER A 3 7.879 25.010 7.408 1.00 0.00 C ATOM 21 C SER A 3 6.592 25.310 6.636 1.00 0.00 C ATOM 22 O SER A 3 6.272 26.470 6.385 1.00 0.00 O ATOM 23 CB SER A 3 7.613 25.032 8.914 1.00 0.00 C ATOM 24 OG SER A 3 7.115 26.295 9.349 1.00 0.00 O ATOM 0 H SER A 3 9.137 26.647 7.770 1.00 0.00 H new ATOM 0 HA SER A 3 8.229 24.012 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.895 24.252 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.535 24.802 9.449 1.00 0.00 H new ATOM 0 HG SER A 3 6.956 26.269 10.316 1.00 0.00 H new ATOM 30 N GLY A 4 5.890 24.244 6.283 1.00 0.00 N ATOM 31 CA GLY A 4 4.645 24.378 5.545 1.00 0.00 C ATOM 32 C GLY A 4 3.568 23.452 6.114 1.00 0.00 C ATOM 33 O GLY A 4 3.588 23.125 7.299 1.00 0.00 O ATOM 0 H GLY A 4 6.159 23.283 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.301 25.411 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.814 24.143 4.494 1.00 0.00 H new ATOM 37 N SER A 5 2.654 23.055 5.241 1.00 0.00 N ATOM 38 CA SER A 5 1.571 22.173 5.641 1.00 0.00 C ATOM 39 C SER A 5 1.279 21.164 4.528 1.00 0.00 C ATOM 40 O SER A 5 0.430 21.407 3.672 1.00 0.00 O ATOM 41 CB SER A 5 0.308 22.969 5.980 1.00 0.00 C ATOM 42 OG SER A 5 -0.129 23.768 4.884 1.00 0.00 O ATOM 0 H SER A 5 2.641 23.328 4.258 1.00 0.00 H new ATOM 0 HA SER A 5 1.881 21.636 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.488 22.282 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.503 23.609 6.840 1.00 0.00 H new ATOM 0 HG SER A 5 -0.048 23.255 4.053 1.00 0.00 H new ATOM 48 N SER A 6 2.000 20.053 4.577 1.00 0.00 N ATOM 49 CA SER A 6 1.829 19.007 3.583 1.00 0.00 C ATOM 50 C SER A 6 2.068 17.636 4.221 1.00 0.00 C ATOM 51 O SER A 6 3.143 17.377 4.759 1.00 0.00 O ATOM 52 CB SER A 6 2.775 19.213 2.398 1.00 0.00 C ATOM 53 OG SER A 6 2.067 19.359 1.170 1.00 0.00 O ATOM 0 H SER A 6 2.703 19.855 5.289 1.00 0.00 H new ATOM 0 HA SER A 6 0.806 19.054 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.386 20.099 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.456 18.365 2.326 1.00 0.00 H new ATOM 0 HG SER A 6 2.705 19.490 0.438 1.00 0.00 H new ATOM 59 N GLY A 7 1.047 16.795 4.139 1.00 0.00 N ATOM 60 CA GLY A 7 1.133 15.458 4.701 1.00 0.00 C ATOM 61 C GLY A 7 0.993 14.395 3.609 1.00 0.00 C ATOM 62 O GLY A 7 0.549 14.692 2.501 1.00 0.00 O ATOM 0 H GLY A 7 0.157 17.014 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.087 15.335 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.351 15.322 5.448 1.00 0.00 H new ATOM 66 N PRO A 8 1.390 13.145 3.970 1.00 0.00 N ATOM 67 CA PRO A 8 1.313 12.036 3.035 1.00 0.00 C ATOM 68 C PRO A 8 -0.132 11.564 2.861 1.00 0.00 C ATOM 69 O PRO A 8 -0.998 11.893 3.671 1.00 0.00 O ATOM 70 CB PRO A 8 2.221 10.966 3.618 1.00 0.00 C ATOM 71 CG PRO A 8 2.406 11.329 5.083 1.00 0.00 C ATOM 72 CD PRO A 8 1.920 12.756 5.274 1.00 0.00 C ATOM 0 HA PRO A 8 1.636 12.310 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.775 9.977 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.179 10.941 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.844 10.646 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.454 11.241 5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.153 12.813 6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.733 13.413 5.583 1.00 0.00 H new ATOM 80 N THR A 9 -0.348 10.801 1.800 1.00 0.00 N ATOM 81 CA THR A 9 -1.673 10.281 1.509 1.00 0.00 C ATOM 82 C THR A 9 -2.093 9.267 2.575 1.00 0.00 C ATOM 83 O THR A 9 -1.265 8.806 3.359 1.00 0.00 O ATOM 84 CB THR A 9 -1.654 9.702 0.093 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.454 8.934 0.048 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.449 10.777 -0.976 1.00 0.00 C ATOM 0 H THR A 9 0.373 10.530 1.131 1.00 0.00 H new ATOM 0 HA THR A 9 -2.424 11.070 1.542 1.00 0.00 H new ATOM 0 HB THR A 9 -2.589 9.175 -0.097 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.058 9.173 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.443 10.313 -1.962 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.260 11.504 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.498 11.281 -0.807 1.00 0.00 H new ATOM 94 N SER A 10 -3.379 8.948 2.568 1.00 0.00 N ATOM 95 CA SER A 10 -3.919 7.997 3.525 1.00 0.00 C ATOM 96 C SER A 10 -3.368 6.598 3.240 1.00 0.00 C ATOM 97 O SER A 10 -3.261 6.193 2.084 1.00 0.00 O ATOM 98 CB SER A 10 -5.449 7.983 3.484 1.00 0.00 C ATOM 99 OG SER A 10 -6.016 8.912 4.404 1.00 0.00 O ATOM 0 H SER A 10 -4.063 9.331 1.915 1.00 0.00 H new ATOM 0 HA SER A 10 -3.612 8.305 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.787 8.220 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.809 6.980 3.713 1.00 0.00 H new ATOM 0 HG SER A 10 -6.994 8.874 4.346 1.00 0.00 H new ATOM 105 N ALA A 11 -3.032 5.899 4.314 1.00 0.00 N ATOM 106 CA ALA A 11 -2.494 4.555 4.195 1.00 0.00 C ATOM 107 C ALA A 11 -3.428 3.713 3.322 1.00 0.00 C ATOM 108 O ALA A 11 -4.609 4.027 3.188 1.00 0.00 O ATOM 109 CB ALA A 11 -2.302 3.956 5.589 1.00 0.00 C ATOM 0 H ALA A 11 -3.122 6.239 5.272 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.517 4.574 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.898 2.947 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.609 4.575 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.262 3.918 6.104 1.00 0.00 H new ATOM 115 N PRO A 12 -2.846 2.632 2.736 1.00 0.00 N ATOM 116 CA PRO A 12 -3.613 1.743 1.880 1.00 0.00 C ATOM 117 C PRO A 12 -4.533 0.843 2.708 1.00 0.00 C ATOM 118 O PRO A 12 -4.305 0.646 3.901 1.00 0.00 O ATOM 119 CB PRO A 12 -2.573 0.964 1.091 1.00 0.00 C ATOM 120 CG PRO A 12 -1.271 1.110 1.860 1.00 0.00 C ATOM 121 CD PRO A 12 -1.450 2.229 2.872 1.00 0.00 C ATOM 0 HA PRO A 12 -4.284 2.280 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.857 -0.084 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.475 1.357 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.018 0.177 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.450 1.338 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.234 1.886 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.776 3.061 2.666 1.00 0.00 H new ATOM 129 N GLN A 13 -5.552 0.321 2.042 1.00 0.00 N ATOM 130 CA GLN A 13 -6.507 -0.554 2.702 1.00 0.00 C ATOM 131 C GLN A 13 -7.008 -1.623 1.729 1.00 0.00 C ATOM 132 O GLN A 13 -6.770 -1.533 0.525 1.00 0.00 O ATOM 133 CB GLN A 13 -7.674 0.248 3.283 1.00 0.00 C ATOM 134 CG GLN A 13 -7.894 1.543 2.499 1.00 0.00 C ATOM 135 CD GLN A 13 -9.312 2.078 2.711 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.060 1.610 3.552 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.637 3.083 1.903 1.00 0.00 N ATOM 0 H GLN A 13 -5.738 0.487 1.053 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.002 -1.052 3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.582 -0.355 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.474 0.481 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.168 2.292 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.724 1.363 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.962 3.427 1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.561 3.510 1.966 1.00 0.00 H new ATOM 146 N HIS A 14 -7.693 -2.611 2.286 1.00 0.00 N ATOM 147 CA HIS A 14 -8.229 -3.696 1.483 1.00 0.00 C ATOM 148 C HIS A 14 -7.079 -4.503 0.877 1.00 0.00 C ATOM 149 O HIS A 14 -7.205 -5.043 -0.221 1.00 0.00 O ATOM 150 CB HIS A 14 -9.199 -3.163 0.427 1.00 0.00 C ATOM 151 CG HIS A 14 -10.577 -2.852 0.961 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.643 -3.727 0.840 1.00 0.00 N ATOM 153 CD2 HIS A 14 -11.052 -1.756 1.619 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.706 -3.172 1.403 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.338 -1.950 1.884 1.00 0.00 N ATOM 0 H HIS A 14 -7.889 -2.682 3.284 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.806 -4.370 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.779 -2.259 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.288 -3.897 -0.374 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.615 -4.643 0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.479 -0.879 1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.691 -3.610 1.469 1.00 0.00 H new ATOM 163 N LEU A 15 -5.983 -4.560 1.619 1.00 0.00 N ATOM 164 CA LEU A 15 -4.811 -5.291 1.169 1.00 0.00 C ATOM 165 C LEU A 15 -4.906 -6.742 1.646 1.00 0.00 C ATOM 166 O LEU A 15 -4.703 -7.026 2.826 1.00 0.00 O ATOM 167 CB LEU A 15 -3.531 -4.580 1.614 1.00 0.00 C ATOM 168 CG LEU A 15 -2.219 -5.295 1.287 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.878 -5.163 -0.199 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.083 -4.792 2.182 1.00 0.00 C ATOM 0 H LEU A 15 -5.882 -4.111 2.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.772 -5.314 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.508 -3.593 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.580 -4.427 2.692 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.348 -6.357 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.941 -5.680 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.675 -5.606 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.775 -4.109 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.161 -5.316 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.945 -3.722 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.332 -4.980 3.226 1.00 0.00 H new ATOM 182 N THR A 16 -5.215 -7.622 0.705 1.00 0.00 N ATOM 183 CA THR A 16 -5.340 -9.036 1.014 1.00 0.00 C ATOM 184 C THR A 16 -4.599 -9.877 -0.027 1.00 0.00 C ATOM 185 O THR A 16 -4.118 -9.349 -1.029 1.00 0.00 O ATOM 186 CB THR A 16 -6.830 -9.368 1.116 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.429 -8.593 0.082 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.464 -8.830 2.400 1.00 0.00 C ATOM 0 H THR A 16 -5.383 -7.383 -0.272 1.00 0.00 H new ATOM 0 HA THR A 16 -4.873 -9.275 1.970 1.00 0.00 H new ATOM 0 HB THR A 16 -6.965 -10.449 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.396 -8.749 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.521 -9.093 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.963 -9.267 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.360 -7.745 2.431 1.00 0.00 H new ATOM 196 N VAL A 17 -4.530 -11.172 0.245 1.00 0.00 N ATOM 197 CA VAL A 17 -3.856 -12.091 -0.655 1.00 0.00 C ATOM 198 C VAL A 17 -4.890 -12.756 -1.566 1.00 0.00 C ATOM 199 O VAL A 17 -5.770 -13.474 -1.092 1.00 0.00 O ATOM 200 CB VAL A 17 -3.030 -13.099 0.147 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.461 -14.189 -0.763 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.916 -12.398 0.926 1.00 0.00 C ATOM 0 H VAL A 17 -4.930 -11.606 1.077 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.156 -11.554 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.693 -13.577 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.878 -14.892 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.279 -14.718 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.820 -13.734 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.344 -13.137 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.256 -11.880 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.353 -11.677 1.616 1.00 0.00 H new ATOM 212 N GLU A 18 -4.750 -12.495 -2.857 1.00 0.00 N ATOM 213 CA GLU A 18 -5.661 -13.059 -3.839 1.00 0.00 C ATOM 214 C GLU A 18 -5.250 -14.492 -4.182 1.00 0.00 C ATOM 215 O GLU A 18 -6.092 -15.388 -4.232 1.00 0.00 O ATOM 216 CB GLU A 18 -5.719 -12.189 -5.096 1.00 0.00 C ATOM 217 CG GLU A 18 -6.303 -10.810 -4.783 1.00 0.00 C ATOM 218 CD GLU A 18 -7.712 -10.931 -4.198 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.664 -10.942 -5.008 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.805 -11.009 -2.954 1.00 0.00 O ATOM 0 H GLU A 18 -4.019 -11.900 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.661 -13.082 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.718 -12.078 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.327 -12.681 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.656 -10.289 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.333 -10.209 -5.692 1.00 0.00 H new ATOM 227 N ASP A 19 -3.957 -14.665 -4.409 1.00 0.00 N ATOM 228 CA ASP A 19 -3.424 -15.974 -4.745 1.00 0.00 C ATOM 229 C ASP A 19 -1.968 -16.062 -4.284 1.00 0.00 C ATOM 230 O ASP A 19 -1.319 -15.040 -4.068 1.00 0.00 O ATOM 231 CB ASP A 19 -3.456 -16.210 -6.257 1.00 0.00 C ATOM 232 CG ASP A 19 -3.406 -17.678 -6.684 1.00 0.00 C ATOM 233 OD1 ASP A 19 -3.656 -18.533 -5.807 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.117 -17.912 -7.877 1.00 0.00 O ATOM 0 H ASP A 19 -3.262 -13.920 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.039 -16.725 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.363 -15.761 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.613 -15.687 -6.709 1.00 0.00 H new ATOM 239 N VAL A 20 -1.497 -17.293 -4.147 1.00 0.00 N ATOM 240 CA VAL A 20 -0.130 -17.528 -3.715 1.00 0.00 C ATOM 241 C VAL A 20 0.475 -18.661 -4.546 1.00 0.00 C ATOM 242 O VAL A 20 -0.114 -19.735 -4.659 1.00 0.00 O ATOM 243 CB VAL A 20 -0.096 -17.805 -2.211 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.337 -18.033 -1.727 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.766 -16.673 -1.430 1.00 0.00 C ATOM 0 H VAL A 20 -2.038 -18.138 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 20 0.481 -16.641 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.660 -18.719 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.332 -18.228 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.766 -18.888 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.936 -17.146 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.728 -16.895 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.242 -15.737 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.805 -16.579 -1.745 1.00 0.00 H new ATOM 255 N THR A 21 1.644 -18.383 -5.105 1.00 0.00 N ATOM 256 CA THR A 21 2.335 -19.366 -5.922 1.00 0.00 C ATOM 257 C THR A 21 3.431 -20.058 -5.110 1.00 0.00 C ATOM 258 O THR A 21 3.398 -20.049 -3.881 1.00 0.00 O ATOM 259 CB THR A 21 2.860 -18.657 -7.172 1.00 0.00 C ATOM 260 OG1 THR A 21 1.976 -17.552 -7.342 1.00 0.00 O ATOM 261 CG2 THR A 21 2.666 -19.488 -8.442 1.00 0.00 C ATOM 0 H THR A 21 2.130 -17.491 -5.008 1.00 0.00 H new ATOM 0 HA THR A 21 1.660 -20.160 -6.241 1.00 0.00 H new ATOM 0 HB THR A 21 3.919 -18.432 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.245 -17.036 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.056 -18.939 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.200 -20.433 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.604 -19.685 -8.589 1.00 0.00 H new ATOM 269 N ASP A 22 4.378 -20.642 -5.831 1.00 0.00 N ATOM 270 CA ASP A 22 5.483 -21.337 -5.192 1.00 0.00 C ATOM 271 C ASP A 22 6.552 -20.321 -4.786 1.00 0.00 C ATOM 272 O ASP A 22 6.959 -20.273 -3.627 1.00 0.00 O ATOM 273 CB ASP A 22 6.126 -22.344 -6.148 1.00 0.00 C ATOM 274 CG ASP A 22 5.144 -23.273 -6.864 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.391 -23.966 -6.146 1.00 0.00 O ATOM 276 OD2 ASP A 22 5.168 -23.270 -8.114 1.00 0.00 O ATOM 0 H ASP A 22 4.403 -20.648 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 22 5.092 -21.864 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.698 -21.797 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.836 -22.952 -5.587 1.00 0.00 H new ATOM 281 N THR A 23 6.977 -19.534 -5.764 1.00 0.00 N ATOM 282 CA THR A 23 7.992 -18.523 -5.523 1.00 0.00 C ATOM 283 C THR A 23 7.443 -17.130 -5.840 1.00 0.00 C ATOM 284 O THR A 23 8.205 -16.174 -5.973 1.00 0.00 O ATOM 285 CB THR A 23 9.230 -18.889 -6.344 1.00 0.00 C ATOM 286 OG1 THR A 23 8.699 -19.385 -7.570 1.00 0.00 O ATOM 287 CG2 THR A 23 9.989 -20.081 -5.757 1.00 0.00 C ATOM 0 H THR A 23 6.637 -19.576 -6.725 1.00 0.00 H new ATOM 0 HA THR A 23 8.279 -18.494 -4.472 1.00 0.00 H new ATOM 0 HB THR A 23 9.895 -18.028 -6.402 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.434 -19.644 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.858 -20.300 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.316 -19.842 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.334 -20.952 -5.730 1.00 0.00 H new ATOM 295 N THR A 24 6.125 -17.061 -5.953 1.00 0.00 N ATOM 296 CA THR A 24 5.465 -15.801 -6.253 1.00 0.00 C ATOM 297 C THR A 24 4.137 -15.702 -5.498 1.00 0.00 C ATOM 298 O THR A 24 3.542 -16.719 -5.146 1.00 0.00 O ATOM 299 CB THR A 24 5.309 -15.699 -7.771 1.00 0.00 C ATOM 300 OG1 THR A 24 5.221 -17.053 -8.204 1.00 0.00 O ATOM 301 CG2 THR A 24 6.572 -15.171 -8.455 1.00 0.00 C ATOM 0 H THR A 24 5.496 -17.856 -5.842 1.00 0.00 H new ATOM 0 HA THR A 24 6.060 -14.952 -5.915 1.00 0.00 H new ATOM 0 HB THR A 24 4.468 -15.046 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.116 -17.079 -9.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.408 -15.118 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.803 -14.176 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.406 -15.842 -8.248 1.00 0.00 H new ATOM 309 N THR A 25 3.713 -14.468 -5.272 1.00 0.00 N ATOM 310 CA THR A 25 2.467 -14.222 -4.566 1.00 0.00 C ATOM 311 C THR A 25 1.724 -13.039 -5.190 1.00 0.00 C ATOM 312 O THR A 25 2.330 -12.206 -5.862 1.00 0.00 O ATOM 313 CB THR A 25 2.795 -14.021 -3.085 1.00 0.00 C ATOM 314 OG1 THR A 25 2.680 -15.325 -2.523 1.00 0.00 O ATOM 315 CG2 THR A 25 1.726 -13.205 -2.354 1.00 0.00 C ATOM 0 H THR A 25 4.210 -13.627 -5.565 1.00 0.00 H new ATOM 0 HA THR A 25 1.790 -15.072 -4.652 1.00 0.00 H new ATOM 0 HB THR A 25 3.760 -13.522 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.836 -15.996 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.007 -13.092 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.641 -12.221 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.768 -13.720 -2.418 1.00 0.00 H new ATOM 323 N THR A 26 0.422 -13.003 -4.945 1.00 0.00 N ATOM 324 CA THR A 26 -0.410 -11.937 -5.474 1.00 0.00 C ATOM 325 C THR A 26 -0.986 -11.094 -4.335 1.00 0.00 C ATOM 326 O THR A 26 -1.275 -11.615 -3.258 1.00 0.00 O ATOM 327 CB THR A 26 -1.481 -12.570 -6.364 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.738 -13.303 -7.334 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.246 -11.532 -7.188 1.00 0.00 C ATOM 0 H THR A 26 -0.077 -13.696 -4.387 1.00 0.00 H new ATOM 0 HA THR A 26 0.173 -11.247 -6.084 1.00 0.00 H new ATOM 0 HB THR A 26 -2.182 -13.131 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.356 -13.747 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.994 -12.034 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.740 -10.828 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.550 -10.994 -7.832 1.00 0.00 H new ATOM 337 N LEU A 27 -1.138 -9.807 -4.611 1.00 0.00 N ATOM 338 CA LEU A 27 -1.675 -8.888 -3.622 1.00 0.00 C ATOM 339 C LEU A 27 -2.719 -7.987 -4.284 1.00 0.00 C ATOM 340 O LEU A 27 -2.700 -7.798 -5.500 1.00 0.00 O ATOM 341 CB LEU A 27 -0.545 -8.118 -2.936 1.00 0.00 C ATOM 342 CG LEU A 27 0.456 -8.961 -2.143 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.792 -8.231 -1.994 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.127 -9.373 -0.789 1.00 0.00 C ATOM 0 H LEU A 27 -0.899 -9.379 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.183 -9.437 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.002 -7.560 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.988 -7.386 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 27 0.651 -9.876 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.485 -8.852 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.209 -8.031 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.635 -7.289 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.604 -9.971 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.369 -8.481 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.032 -9.960 -0.946 1.00 0.00 H new ATOM 356 N LYS A 28 -3.606 -7.455 -3.456 1.00 0.00 N ATOM 357 CA LYS A 28 -4.656 -6.578 -3.946 1.00 0.00 C ATOM 358 C LYS A 28 -5.084 -5.627 -2.827 1.00 0.00 C ATOM 359 O LYS A 28 -5.625 -6.061 -1.811 1.00 0.00 O ATOM 360 CB LYS A 28 -5.808 -7.397 -4.531 1.00 0.00 C ATOM 361 CG LYS A 28 -6.337 -6.759 -5.817 1.00 0.00 C ATOM 362 CD LYS A 28 -7.828 -7.049 -6.000 1.00 0.00 C ATOM 363 CE LYS A 28 -8.199 -7.095 -7.484 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.290 -5.726 -8.038 1.00 0.00 N ATOM 0 H LYS A 28 -3.619 -7.614 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.286 -5.961 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.469 -8.412 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.613 -7.472 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.173 -5.682 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.781 -7.142 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.078 -8.000 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.416 -6.281 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.452 -7.667 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.152 -7.609 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.543 -5.775 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.019 -5.191 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.372 -5.248 -7.934 1.00 0.00 H new ATOM 378 N TRP A 29 -4.825 -4.347 -3.050 1.00 0.00 N ATOM 379 CA TRP A 29 -5.176 -3.330 -2.073 1.00 0.00 C ATOM 380 C TRP A 29 -6.128 -2.339 -2.744 1.00 0.00 C ATOM 381 O TRP A 29 -6.616 -2.589 -3.845 1.00 0.00 O ATOM 382 CB TRP A 29 -3.924 -2.664 -1.501 1.00 0.00 C ATOM 383 CG TRP A 29 -3.156 -1.810 -2.512 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.482 -0.600 -2.986 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.912 -2.154 -3.159 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.543 -0.140 -3.888 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.558 -1.115 -3.996 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.113 -3.304 -3.040 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.398 -1.123 -4.779 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.044 -3.296 -3.830 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.414 -2.259 -4.677 1.00 0.00 C ATOM 0 H TRP A 29 -4.376 -3.991 -3.894 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.684 -3.775 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.212 -2.038 -0.656 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.259 -3.436 -1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.368 -0.053 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.568 0.751 -4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.370 -4.128 -2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.143 -0.297 -5.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.694 -4.157 -3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.324 -2.329 -5.254 1.00 0.00 H new ATOM 402 N ARG A 30 -6.364 -1.233 -2.053 1.00 0.00 N ATOM 403 CA ARG A 30 -7.249 -0.202 -2.568 1.00 0.00 C ATOM 404 C ARG A 30 -6.630 1.181 -2.360 1.00 0.00 C ATOM 405 O ARG A 30 -5.784 1.362 -1.485 1.00 0.00 O ATOM 406 CB ARG A 30 -8.613 -0.252 -1.878 1.00 0.00 C ATOM 407 CG ARG A 30 -9.501 -1.334 -2.496 1.00 0.00 C ATOM 408 CD ARG A 30 -10.930 -0.823 -2.695 1.00 0.00 C ATOM 409 NE ARG A 30 -11.641 -0.792 -1.398 1.00 0.00 N ATOM 410 CZ ARG A 30 -12.838 -0.219 -1.211 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.464 0.374 -2.236 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.409 -0.238 0.001 1.00 0.00 N ATOM 0 H ARG A 30 -5.957 -1.029 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.387 -0.385 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.479 -0.450 -0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.103 0.718 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.086 -1.647 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.512 -2.213 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.911 0.175 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.461 -1.468 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.192 -1.234 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.030 0.389 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.375 0.810 -2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.933 -0.689 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.320 0.198 0.142 1.00 0.00 H new ATOM 426 N PRO A 31 -7.087 2.148 -3.200 1.00 0.00 N ATOM 427 CA PRO A 31 -6.588 3.510 -3.117 1.00 0.00 C ATOM 428 C PRO A 31 -7.176 4.236 -1.905 1.00 0.00 C ATOM 429 O PRO A 31 -8.244 3.872 -1.417 1.00 0.00 O ATOM 430 CB PRO A 31 -6.974 4.152 -4.439 1.00 0.00 C ATOM 431 CG PRO A 31 -8.073 3.279 -5.021 1.00 0.00 C ATOM 432 CD PRO A 31 -8.088 1.971 -4.248 1.00 0.00 C ATOM 0 HA PRO A 31 -5.509 3.555 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.324 5.173 -4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.119 4.204 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.039 3.779 -4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.893 3.094 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.073 1.772 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.841 1.127 -4.893 1.00 0.00 H new ATOM 440 N PRO A 32 -6.433 5.278 -1.443 1.00 0.00 N ATOM 441 CA PRO A 32 -6.869 6.059 -0.298 1.00 0.00 C ATOM 442 C PRO A 32 -8.014 6.999 -0.680 1.00 0.00 C ATOM 443 O PRO A 32 -8.421 7.048 -1.840 1.00 0.00 O ATOM 444 CB PRO A 32 -5.626 6.796 0.172 1.00 0.00 C ATOM 445 CG PRO A 32 -4.656 6.765 -0.998 1.00 0.00 C ATOM 446 CD PRO A 32 -5.163 5.738 -1.997 1.00 0.00 C ATOM 0 HA PRO A 32 -7.275 5.441 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.864 7.821 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.195 6.315 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.587 7.748 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.654 6.503 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.298 6.179 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.459 4.914 -2.110 1.00 0.00 H new ATOM 454 N ASP A 33 -8.501 7.722 0.317 1.00 0.00 N ATOM 455 CA ASP A 33 -9.591 8.659 0.100 1.00 0.00 C ATOM 456 C ASP A 33 -9.047 10.088 0.147 1.00 0.00 C ATOM 457 O ASP A 33 -9.598 10.987 -0.487 1.00 0.00 O ATOM 458 CB ASP A 33 -10.658 8.524 1.189 1.00 0.00 C ATOM 459 CG ASP A 33 -11.947 7.827 0.748 1.00 0.00 C ATOM 460 OD1 ASP A 33 -11.960 7.330 -0.399 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.890 7.808 1.567 1.00 0.00 O ATOM 0 H ASP A 33 -8.161 7.678 1.278 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.036 8.440 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.233 7.972 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.908 9.519 1.557 1.00 0.00 H new ATOM 466 N ARG A 34 -7.971 10.253 0.902 1.00 0.00 N ATOM 467 CA ARG A 34 -7.346 11.558 1.039 1.00 0.00 C ATOM 468 C ARG A 34 -6.045 11.610 0.236 1.00 0.00 C ATOM 469 O ARG A 34 -4.957 11.545 0.805 1.00 0.00 O ATOM 470 CB ARG A 34 -7.045 11.873 2.506 1.00 0.00 C ATOM 471 CG ARG A 34 -7.281 13.354 2.808 1.00 0.00 C ATOM 472 CD ARG A 34 -8.677 13.578 3.394 1.00 0.00 C ATOM 473 NE ARG A 34 -8.569 14.055 4.790 1.00 0.00 N ATOM 474 CZ ARG A 34 -8.540 13.248 5.860 1.00 0.00 C ATOM 475 NH1 ARG A 34 -8.609 11.920 5.699 1.00 0.00 N ATOM 476 NH2 ARG A 34 -8.440 13.770 7.090 1.00 0.00 N ATOM 0 H ARG A 34 -7.516 9.505 1.425 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.044 12.302 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.677 11.262 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.011 11.612 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.527 13.711 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.168 13.938 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.220 14.307 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.247 12.650 3.361 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.513 15.061 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.684 11.523 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.587 11.306 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.386 14.781 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.418 13.156 7.904 1.00 0.00 H new ATOM 490 N ILE A 35 -6.201 11.727 -1.075 1.00 0.00 N ATOM 491 CA ILE A 35 -5.052 11.789 -1.962 1.00 0.00 C ATOM 492 C ILE A 35 -4.265 13.071 -1.682 1.00 0.00 C ATOM 493 O ILE A 35 -3.143 13.017 -1.178 1.00 0.00 O ATOM 494 CB ILE A 35 -5.492 11.644 -3.420 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.348 10.390 -3.613 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.287 11.666 -4.362 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.509 9.123 -3.441 1.00 0.00 C ATOM 0 H ILE A 35 -7.105 11.780 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.379 10.953 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.115 12.501 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.166 10.389 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.797 10.401 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.628 11.561 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.755 12.611 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.618 10.842 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.141 8.246 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.706 9.115 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.081 9.103 -2.439 1.00 0.00 H new ATOM 509 N GLY A 36 -4.883 14.193 -2.020 1.00 0.00 N ATOM 510 CA GLY A 36 -4.254 15.486 -1.811 1.00 0.00 C ATOM 511 C GLY A 36 -4.120 16.250 -3.129 1.00 0.00 C ATOM 512 O GLY A 36 -5.103 16.433 -3.847 1.00 0.00 O ATOM 0 H GLY A 36 -5.813 14.234 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.844 16.071 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.269 15.347 -1.365 1.00 0.00 H new ATOM 516 N ALA A 37 -2.897 16.675 -3.408 1.00 0.00 N ATOM 517 CA ALA A 37 -2.622 17.416 -4.628 1.00 0.00 C ATOM 518 C ALA A 37 -1.736 16.570 -5.545 1.00 0.00 C ATOM 519 O ALA A 37 -0.908 15.794 -5.070 1.00 0.00 O ATOM 520 CB ALA A 37 -1.982 18.760 -4.276 1.00 0.00 C ATOM 0 H ALA A 37 -2.085 16.521 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.546 17.626 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.776 19.316 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.664 19.334 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.050 18.589 -3.737 1.00 0.00 H new ATOM 526 N GLY A 38 -1.941 16.748 -6.842 1.00 0.00 N ATOM 527 CA GLY A 38 -1.171 16.010 -7.829 1.00 0.00 C ATOM 528 C GLY A 38 -1.666 14.567 -7.943 1.00 0.00 C ATOM 529 O GLY A 38 -2.180 14.164 -8.985 1.00 0.00 O ATOM 0 H GLY A 38 -2.629 17.392 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.248 16.502 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.117 16.016 -7.552 1.00 0.00 H new ATOM 533 N GLY A 39 -1.492 13.827 -6.858 1.00 0.00 N ATOM 534 CA GLY A 39 -1.914 12.438 -6.823 1.00 0.00 C ATOM 535 C GLY A 39 -0.878 11.567 -6.109 1.00 0.00 C ATOM 536 O GLY A 39 -0.059 12.073 -5.343 1.00 0.00 O ATOM 0 H GLY A 39 -1.064 14.164 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.874 12.359 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.062 12.074 -7.840 1.00 0.00 H new ATOM 540 N ILE A 40 -0.947 10.273 -6.385 1.00 0.00 N ATOM 541 CA ILE A 40 -0.026 9.328 -5.778 1.00 0.00 C ATOM 542 C ILE A 40 0.840 8.694 -6.869 1.00 0.00 C ATOM 543 O ILE A 40 0.323 8.231 -7.885 1.00 0.00 O ATOM 544 CB ILE A 40 -0.786 8.309 -4.927 1.00 0.00 C ATOM 545 CG1 ILE A 40 0.155 7.227 -4.395 1.00 0.00 C ATOM 546 CG2 ILE A 40 -1.962 7.714 -5.704 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.291 6.743 -3.014 1.00 0.00 C ATOM 0 H ILE A 40 -1.627 9.857 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 40 0.648 9.841 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.200 8.828 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.178 6.387 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.170 7.620 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.485 6.993 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.649 8.510 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.591 7.214 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.395 5.974 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.289 7.581 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.297 6.329 -3.081 1.00 0.00 H new ATOM 559 N ASP A 41 2.141 8.693 -6.621 1.00 0.00 N ATOM 560 CA ASP A 41 3.083 8.124 -7.570 1.00 0.00 C ATOM 561 C ASP A 41 2.836 6.618 -7.686 1.00 0.00 C ATOM 562 O ASP A 41 3.032 6.034 -8.750 1.00 0.00 O ATOM 563 CB ASP A 41 4.526 8.332 -7.106 1.00 0.00 C ATOM 564 CG ASP A 41 5.536 8.585 -8.228 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.151 9.281 -9.192 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.669 8.075 -8.096 1.00 0.00 O ATOM 0 H ASP A 41 2.565 9.077 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 41 2.938 8.621 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.552 9.176 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.842 7.453 -6.545 1.00 0.00 H new ATOM 571 N GLY A 42 2.411 6.034 -6.575 1.00 0.00 N ATOM 572 CA GLY A 42 2.136 4.608 -6.538 1.00 0.00 C ATOM 573 C GLY A 42 2.269 4.060 -5.116 1.00 0.00 C ATOM 574 O GLY A 42 2.070 4.789 -4.145 1.00 0.00 O ATOM 0 H GLY A 42 2.250 6.523 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.130 4.418 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.826 4.084 -7.199 1.00 0.00 H new ATOM 578 N TYR A 43 2.605 2.781 -5.038 1.00 0.00 N ATOM 579 CA TYR A 43 2.767 2.127 -3.750 1.00 0.00 C ATOM 580 C TYR A 43 4.026 1.258 -3.731 1.00 0.00 C ATOM 581 O TYR A 43 4.352 0.609 -4.723 1.00 0.00 O ATOM 582 CB TYR A 43 1.540 1.230 -3.575 1.00 0.00 C ATOM 583 CG TYR A 43 0.352 1.924 -2.906 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.372 2.170 -1.548 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.740 2.303 -3.660 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.746 2.824 -0.918 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.858 2.956 -3.030 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.806 3.184 -1.690 1.00 0.00 C ATOM 589 OH TYR A 43 -2.862 3.801 -1.095 1.00 0.00 O ATOM 0 H TYR A 43 2.770 2.180 -5.845 1.00 0.00 H new ATOM 0 HA TYR A 43 2.862 2.865 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.229 0.862 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.821 0.360 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.226 1.872 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.756 2.110 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.743 3.024 0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.719 3.258 -3.608 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.547 4.315 -0.322 1.00 0.00 H new ATOM 599 N LEU A 44 4.700 1.274 -2.590 1.00 0.00 N ATOM 600 CA LEU A 44 5.916 0.495 -2.428 1.00 0.00 C ATOM 601 C LEU A 44 5.584 -0.819 -1.718 1.00 0.00 C ATOM 602 O LEU A 44 4.866 -0.825 -0.720 1.00 0.00 O ATOM 603 CB LEU A 44 6.991 1.322 -1.721 1.00 0.00 C ATOM 604 CG LEU A 44 8.082 1.912 -2.618 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.156 2.614 -1.785 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.676 0.841 -3.535 1.00 0.00 C ATOM 0 H LEU A 44 4.427 1.814 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 44 6.335 0.235 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.502 2.140 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.468 0.694 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 44 7.627 2.667 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.919 3.024 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.701 3.421 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.614 1.897 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.449 1.286 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.113 0.046 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.890 0.427 -4.167 1.00 0.00 H new ATOM 618 N VAL A 45 6.124 -1.900 -2.262 1.00 0.00 N ATOM 619 CA VAL A 45 5.894 -3.217 -1.692 1.00 0.00 C ATOM 620 C VAL A 45 7.211 -3.765 -1.139 1.00 0.00 C ATOM 621 O VAL A 45 8.277 -3.514 -1.700 1.00 0.00 O ATOM 622 CB VAL A 45 5.257 -4.135 -2.738 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.757 -5.432 -2.097 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.127 -3.419 -3.480 1.00 0.00 C ATOM 0 H VAL A 45 6.719 -1.891 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 45 5.192 -3.157 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 45 6.024 -4.396 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.309 -6.067 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.594 -5.956 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.012 -5.198 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.691 -4.093 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.360 -3.115 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.524 -2.538 -3.984 1.00 0.00 H new ATOM 634 N GLU A 46 7.095 -4.504 -0.045 1.00 0.00 N ATOM 635 CA GLU A 46 8.263 -5.090 0.590 1.00 0.00 C ATOM 636 C GLU A 46 7.844 -6.222 1.531 1.00 0.00 C ATOM 637 O GLU A 46 6.747 -6.198 2.086 1.00 0.00 O ATOM 638 CB GLU A 46 9.071 -4.027 1.337 1.00 0.00 C ATOM 639 CG GLU A 46 8.194 -3.277 2.342 1.00 0.00 C ATOM 640 CD GLU A 46 7.948 -1.837 1.886 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.955 -1.117 1.710 1.00 0.00 O ATOM 642 OE2 GLU A 46 6.759 -1.489 1.723 1.00 0.00 O ATOM 0 H GLU A 46 6.210 -4.710 0.418 1.00 0.00 H new ATOM 0 HA GLU A 46 8.904 -5.508 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.905 -4.498 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.498 -3.322 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.241 -3.794 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.675 -3.276 3.320 1.00 0.00 H new ATOM 649 N TYR A 47 8.740 -7.186 1.680 1.00 0.00 N ATOM 650 CA TYR A 47 8.477 -8.325 2.544 1.00 0.00 C ATOM 651 C TYR A 47 9.613 -8.523 3.550 1.00 0.00 C ATOM 652 O TYR A 47 10.775 -8.270 3.238 1.00 0.00 O ATOM 653 CB TYR A 47 8.408 -9.545 1.623 1.00 0.00 C ATOM 654 CG TYR A 47 9.686 -9.791 0.819 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.969 -9.009 -0.283 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.556 -10.794 1.195 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.172 -9.241 -1.040 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.758 -11.026 0.438 1.00 0.00 C ATOM 659 CZ TYR A 47 12.007 -10.238 -0.642 1.00 0.00 C ATOM 660 OH TYR A 47 13.143 -10.456 -1.357 1.00 0.00 O ATOM 0 H TYR A 47 9.649 -7.202 1.217 1.00 0.00 H new ATOM 0 HA TYR A 47 7.557 -8.175 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.193 -10.429 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.575 -9.419 0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.289 -8.224 -0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.335 -11.405 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.406 -8.637 -1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.447 -11.808 0.721 1.00 0.00 H new ATOM 0 HH TYR A 47 13.644 -11.198 -0.958 1.00 0.00 H new ATOM 670 N CYS A 48 9.236 -8.976 4.737 1.00 0.00 N ATOM 671 CA CYS A 48 10.208 -9.211 5.791 1.00 0.00 C ATOM 672 C CYS A 48 10.092 -10.671 6.234 1.00 0.00 C ATOM 673 O CYS A 48 9.129 -11.046 6.902 1.00 0.00 O ATOM 674 CB CYS A 48 10.021 -8.243 6.960 1.00 0.00 C ATOM 675 SG CYS A 48 10.979 -8.819 8.409 1.00 0.00 S ATOM 0 H CYS A 48 8.271 -9.186 4.992 1.00 0.00 H new ATOM 0 HA CYS A 48 11.213 -9.026 5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.348 -7.244 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.964 -8.171 7.218 1.00 0.00 H new ATOM 0 HG CYS A 48 10.815 -7.989 9.396 1.00 0.00 H new ATOM 681 N LEU A 49 11.086 -11.456 5.845 1.00 0.00 N ATOM 682 CA LEU A 49 11.106 -12.866 6.194 1.00 0.00 C ATOM 683 C LEU A 49 11.040 -13.012 7.715 1.00 0.00 C ATOM 684 O LEU A 49 11.701 -12.272 8.443 1.00 0.00 O ATOM 685 CB LEU A 49 12.317 -13.556 5.563 1.00 0.00 C ATOM 686 CG LEU A 49 12.266 -13.745 4.045 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.580 -13.307 3.394 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.900 -15.186 3.683 1.00 0.00 C ATOM 0 H LEU A 49 11.883 -11.142 5.292 1.00 0.00 H new ATOM 0 HA LEU A 49 10.230 -13.372 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.208 -12.978 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.435 -14.535 6.027 1.00 0.00 H new ATOM 0 HG LEU A 49 11.479 -13.104 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.518 -13.451 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.759 -12.254 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.400 -13.904 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.871 -15.293 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.647 -15.865 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.922 -15.428 4.098 1.00 0.00 H new ATOM 700 N GLU A 50 10.235 -13.970 8.151 1.00 0.00 N ATOM 701 CA GLU A 50 10.074 -14.222 9.573 1.00 0.00 C ATOM 702 C GLU A 50 11.440 -14.378 10.244 1.00 0.00 C ATOM 703 O GLU A 50 12.230 -15.238 9.857 1.00 0.00 O ATOM 704 CB GLU A 50 9.200 -15.454 9.816 1.00 0.00 C ATOM 705 CG GLU A 50 8.235 -15.221 10.980 1.00 0.00 C ATOM 706 CD GLU A 50 8.821 -15.749 12.292 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.602 -16.948 12.569 1.00 0.00 O ATOM 708 OE2 GLU A 50 9.474 -14.942 12.987 1.00 0.00 O ATOM 0 H GLU A 50 9.687 -14.581 7.545 1.00 0.00 H new ATOM 0 HA GLU A 50 9.569 -13.365 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.636 -15.688 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.832 -16.316 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.024 -14.156 11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.286 -15.717 10.776 1.00 0.00 H new ATOM 715 N GLY A 51 11.677 -13.533 11.236 1.00 0.00 N ATOM 716 CA GLY A 51 12.934 -13.566 11.964 1.00 0.00 C ATOM 717 C GLY A 51 13.839 -12.404 11.548 1.00 0.00 C ATOM 718 O GLY A 51 14.681 -11.959 12.327 1.00 0.00 O ATOM 0 H GLY A 51 11.019 -12.821 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.739 -13.515 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.442 -14.512 11.777 1.00 0.00 H new ATOM 722 N SER A 52 13.635 -11.946 10.322 1.00 0.00 N ATOM 723 CA SER A 52 14.421 -10.845 9.794 1.00 0.00 C ATOM 724 C SER A 52 13.860 -9.513 10.296 1.00 0.00 C ATOM 725 O SER A 52 12.666 -9.403 10.572 1.00 0.00 O ATOM 726 CB SER A 52 14.445 -10.868 8.264 1.00 0.00 C ATOM 727 OG SER A 52 15.001 -9.674 7.720 1.00 0.00 O ATOM 0 H SER A 52 12.936 -12.318 9.679 1.00 0.00 H new ATOM 0 HA SER A 52 15.446 -10.957 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.025 -11.726 7.924 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.431 -11.000 7.888 1.00 0.00 H new ATOM 0 HG SER A 52 15.000 -9.729 6.742 1.00 0.00 H new ATOM 733 N GLU A 53 14.747 -8.534 10.398 1.00 0.00 N ATOM 734 CA GLU A 53 14.355 -7.214 10.862 1.00 0.00 C ATOM 735 C GLU A 53 14.507 -6.189 9.736 1.00 0.00 C ATOM 736 O GLU A 53 14.330 -4.992 9.954 1.00 0.00 O ATOM 737 CB GLU A 53 15.166 -6.802 12.092 1.00 0.00 C ATOM 738 CG GLU A 53 14.360 -5.863 12.991 1.00 0.00 C ATOM 739 CD GLU A 53 14.894 -5.883 14.425 1.00 0.00 C ATOM 740 OE1 GLU A 53 16.135 -5.926 14.567 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.050 -5.855 15.346 1.00 0.00 O ATOM 0 H GLU A 53 15.736 -8.629 10.167 1.00 0.00 H new ATOM 0 HA GLU A 53 13.306 -7.250 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.456 -7.689 12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.086 -6.309 11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.406 -4.848 12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.311 -6.160 12.986 1.00 0.00 H new ATOM 748 N GLU A 54 14.833 -6.697 8.557 1.00 0.00 N ATOM 749 CA GLU A 54 15.011 -5.841 7.397 1.00 0.00 C ATOM 750 C GLU A 54 13.970 -6.174 6.327 1.00 0.00 C ATOM 751 O GLU A 54 13.950 -7.285 5.800 1.00 0.00 O ATOM 752 CB GLU A 54 16.430 -5.963 6.837 1.00 0.00 C ATOM 753 CG GLU A 54 16.579 -5.164 5.541 1.00 0.00 C ATOM 754 CD GLU A 54 17.808 -4.254 5.595 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.794 -3.332 6.439 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.733 -4.501 4.792 1.00 0.00 O ATOM 0 H GLU A 54 14.979 -7.691 8.380 1.00 0.00 H new ATOM 0 HA GLU A 54 14.866 -4.807 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.148 -5.604 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.662 -7.012 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.665 -5.847 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.685 -4.563 5.375 1.00 0.00 H new ATOM 763 N TRP A 55 13.130 -5.191 6.037 1.00 0.00 N ATOM 764 CA TRP A 55 12.088 -5.366 5.039 1.00 0.00 C ATOM 765 C TRP A 55 12.726 -5.211 3.658 1.00 0.00 C ATOM 766 O TRP A 55 13.241 -4.145 3.324 1.00 0.00 O ATOM 767 CB TRP A 55 10.932 -4.392 5.277 1.00 0.00 C ATOM 768 CG TRP A 55 10.056 -4.748 6.479 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.291 -4.498 7.775 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.786 -5.433 6.445 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.270 -4.970 8.574 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.326 -5.557 7.740 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.051 -5.932 5.355 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.113 -6.177 8.067 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.841 -6.549 5.698 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.364 -6.681 6.997 1.00 0.00 C ATOM 0 H TRP A 55 13.150 -4.270 6.476 1.00 0.00 H new ATOM 0 HA TRP A 55 11.649 -6.361 5.110 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.338 -3.391 5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.309 -4.359 4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.169 -3.991 8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.218 -4.901 9.590 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.392 -5.846 4.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.774 -6.262 9.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.237 -6.950 4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.419 -7.171 7.180 1.00 0.00 H new ATOM 787 N VAL A 56 12.671 -6.290 2.891 1.00 0.00 N ATOM 788 CA VAL A 56 13.237 -6.287 1.553 1.00 0.00 C ATOM 789 C VAL A 56 12.207 -5.727 0.569 1.00 0.00 C ATOM 790 O VAL A 56 11.014 -5.998 0.693 1.00 0.00 O ATOM 791 CB VAL A 56 13.714 -7.693 1.183 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.274 -7.725 -0.240 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.745 -8.205 2.190 1.00 0.00 C ATOM 0 H VAL A 56 12.243 -7.173 3.171 1.00 0.00 H new ATOM 0 HA VAL A 56 14.113 -5.639 1.511 1.00 0.00 H new ATOM 0 HB VAL A 56 12.852 -8.359 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.606 -8.736 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.498 -7.423 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.118 -7.039 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 56 15.067 -9.206 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.606 -7.536 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.298 -8.238 3.184 1.00 0.00 H new ATOM 803 N PRO A 57 12.720 -4.935 -0.410 1.00 0.00 N ATOM 804 CA PRO A 57 11.858 -4.334 -1.414 1.00 0.00 C ATOM 805 C PRO A 57 11.407 -5.373 -2.443 1.00 0.00 C ATOM 806 O PRO A 57 12.234 -6.068 -3.032 1.00 0.00 O ATOM 807 CB PRO A 57 12.686 -3.215 -2.025 1.00 0.00 C ATOM 808 CG PRO A 57 14.131 -3.525 -1.671 1.00 0.00 C ATOM 809 CD PRO A 57 14.127 -4.591 -0.587 1.00 0.00 C ATOM 0 HA PRO A 57 10.932 -3.943 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.549 -3.173 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.386 -2.245 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.672 -3.876 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.639 -2.627 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.713 -5.461 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.562 -4.216 0.339 1.00 0.00 H new ATOM 817 N ALA A 58 10.097 -5.447 -2.627 1.00 0.00 N ATOM 818 CA ALA A 58 9.527 -6.390 -3.574 1.00 0.00 C ATOM 819 C ALA A 58 9.572 -5.786 -4.978 1.00 0.00 C ATOM 820 O ALA A 58 9.938 -6.463 -5.938 1.00 0.00 O ATOM 821 CB ALA A 58 8.105 -6.752 -3.140 1.00 0.00 C ATOM 0 H ALA A 58 9.414 -4.869 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 58 10.107 -7.313 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.677 -7.459 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.131 -7.204 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.493 -5.851 -3.112 1.00 0.00 H new ATOM 827 N ASN A 59 9.193 -4.518 -5.055 1.00 0.00 N ATOM 828 CA ASN A 59 9.186 -3.815 -6.327 1.00 0.00 C ATOM 829 C ASN A 59 10.102 -2.594 -6.234 1.00 0.00 C ATOM 830 O ASN A 59 9.793 -1.633 -5.531 1.00 0.00 O ATOM 831 CB ASN A 59 7.779 -3.326 -6.677 1.00 0.00 C ATOM 832 CG ASN A 59 7.153 -2.572 -5.502 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.469 -2.798 -4.346 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.249 -1.665 -5.862 1.00 0.00 N ATOM 0 H ASN A 59 8.889 -3.960 -4.257 1.00 0.00 H new ATOM 0 HA ASN A 59 9.530 -4.506 -7.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.823 -2.675 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.151 -4.176 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.774 -1.109 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.031 -1.526 -6.849 1.00 0.00 H new ATOM 841 N LYS A 60 11.212 -2.670 -6.955 1.00 0.00 N ATOM 842 CA LYS A 60 12.175 -1.582 -6.963 1.00 0.00 C ATOM 843 C LYS A 60 11.437 -0.254 -7.141 1.00 0.00 C ATOM 844 O LYS A 60 11.867 0.774 -6.620 1.00 0.00 O ATOM 845 CB LYS A 60 13.255 -1.831 -8.018 1.00 0.00 C ATOM 846 CG LYS A 60 14.590 -2.189 -7.361 1.00 0.00 C ATOM 847 CD LYS A 60 15.616 -2.627 -8.409 1.00 0.00 C ATOM 848 CE LYS A 60 16.966 -2.936 -7.758 1.00 0.00 C ATOM 849 NZ LYS A 60 17.817 -1.725 -7.731 1.00 0.00 N ATOM 0 H LYS A 60 11.465 -3.468 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 60 12.699 -1.530 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.943 -2.639 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.377 -0.942 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.971 -1.329 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.440 -2.990 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.251 -3.510 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.739 -1.841 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.812 -3.302 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.470 -3.730 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.729 -1.952 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.979 -1.393 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.341 -0.979 -7.185 1.00 0.00 H new ATOM 863 N GLU A 61 10.338 -0.318 -7.878 1.00 0.00 N ATOM 864 CA GLU A 61 9.536 0.866 -8.131 1.00 0.00 C ATOM 865 C GLU A 61 8.088 0.630 -7.695 1.00 0.00 C ATOM 866 O GLU A 61 7.596 -0.495 -7.749 1.00 0.00 O ATOM 867 CB GLU A 61 9.606 1.272 -9.604 1.00 0.00 C ATOM 868 CG GLU A 61 8.731 0.358 -10.466 1.00 0.00 C ATOM 869 CD GLU A 61 8.669 0.862 -11.910 1.00 0.00 C ATOM 870 OE1 GLU A 61 9.679 1.451 -12.349 1.00 0.00 O ATOM 871 OE2 GLU A 61 7.612 0.645 -12.541 1.00 0.00 O ATOM 0 H GLU A 61 9.984 -1.172 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 61 9.943 1.688 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.279 2.306 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.639 1.225 -9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.130 -0.656 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.725 0.313 -10.049 1.00 0.00 H new ATOM 878 N PRO A 62 7.431 1.739 -7.262 1.00 0.00 N ATOM 879 CA PRO A 62 6.050 1.664 -6.817 1.00 0.00 C ATOM 880 C PRO A 62 5.097 1.521 -8.006 1.00 0.00 C ATOM 881 O PRO A 62 5.175 2.290 -8.963 1.00 0.00 O ATOM 882 CB PRO A 62 5.822 2.940 -6.023 1.00 0.00 C ATOM 883 CG PRO A 62 6.929 3.894 -6.441 1.00 0.00 C ATOM 884 CD PRO A 62 7.982 3.089 -7.184 1.00 0.00 C ATOM 0 HA PRO A 62 5.854 0.787 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.840 3.363 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.858 2.745 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.532 4.684 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.365 4.379 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.166 3.499 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.934 3.098 -6.654 1.00 0.00 H new ATOM 892 N VAL A 63 4.221 0.533 -7.906 1.00 0.00 N ATOM 893 CA VAL A 63 3.255 0.279 -8.962 1.00 0.00 C ATOM 894 C VAL A 63 2.155 1.341 -8.905 1.00 0.00 C ATOM 895 O VAL A 63 2.003 2.029 -7.897 1.00 0.00 O ATOM 896 CB VAL A 63 2.716 -1.148 -8.846 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.859 -2.159 -8.738 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.756 -1.277 -7.662 1.00 0.00 C ATOM 0 H VAL A 63 4.159 -0.102 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 63 3.729 0.354 -9.941 1.00 0.00 H new ATOM 0 HB VAL A 63 2.158 -1.370 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.448 -3.165 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.487 -2.094 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.457 -1.939 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.387 -2.301 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.280 -1.026 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.916 -0.596 -7.799 1.00 0.00 H new ATOM 908 N GLU A 64 1.416 1.440 -10.000 1.00 0.00 N ATOM 909 CA GLU A 64 0.334 2.406 -10.088 1.00 0.00 C ATOM 910 C GLU A 64 -1.007 1.730 -9.793 1.00 0.00 C ATOM 911 O GLU A 64 -1.904 2.346 -9.221 1.00 0.00 O ATOM 912 CB GLU A 64 0.316 3.086 -11.459 1.00 0.00 C ATOM 913 CG GLU A 64 -0.157 2.117 -12.545 1.00 0.00 C ATOM 914 CD GLU A 64 0.011 2.730 -13.937 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.140 3.180 -14.226 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.995 2.734 -14.680 1.00 0.00 O ATOM 0 H GLU A 64 1.545 0.867 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 64 0.501 3.179 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.342 3.954 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.314 3.451 -11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.411 1.189 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.204 1.862 -12.380 1.00 0.00 H new ATOM 923 N ARG A 65 -1.100 0.472 -10.198 1.00 0.00 N ATOM 924 CA ARG A 65 -2.316 -0.295 -9.984 1.00 0.00 C ATOM 925 C ARG A 65 -2.567 -0.485 -8.487 1.00 0.00 C ATOM 926 O ARG A 65 -1.805 0.009 -7.658 1.00 0.00 O ATOM 927 CB ARG A 65 -2.228 -1.666 -10.658 1.00 0.00 C ATOM 928 CG ARG A 65 -1.039 -2.465 -10.123 1.00 0.00 C ATOM 929 CD ARG A 65 -1.126 -3.931 -10.551 1.00 0.00 C ATOM 930 NE ARG A 65 0.231 -4.517 -10.629 1.00 0.00 N ATOM 931 CZ ARG A 65 0.545 -5.589 -11.368 1.00 0.00 C ATOM 932 NH1 ARG A 65 -0.399 -6.200 -12.098 1.00 0.00 N ATOM 933 NH2 ARG A 65 1.803 -6.052 -11.378 1.00 0.00 N ATOM 0 H ARG A 65 -0.354 -0.035 -10.673 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.142 0.262 -10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.150 -2.220 -10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.130 -1.539 -11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.109 -2.030 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.013 -2.401 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.732 -4.491 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.620 -4.007 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 65 0.974 -4.077 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.356 -5.848 -12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.160 -7.016 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.522 -5.588 -10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.041 -6.868 -11.941 1.00 0.00 H new ATOM 947 N CYS A 66 -3.640 -1.203 -8.186 1.00 0.00 N ATOM 948 CA CYS A 66 -4.001 -1.465 -6.803 1.00 0.00 C ATOM 949 C CYS A 66 -3.669 -2.924 -6.488 1.00 0.00 C ATOM 950 O CYS A 66 -4.524 -3.670 -6.012 1.00 0.00 O ATOM 951 CB CYS A 66 -5.472 -1.142 -6.533 1.00 0.00 C ATOM 952 SG CYS A 66 -6.532 -1.955 -7.784 1.00 0.00 S ATOM 0 H CYS A 66 -4.271 -1.611 -8.876 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.427 -0.814 -6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.750 -1.480 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.627 -0.063 -6.559 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.779 -1.676 -7.544 1.00 0.00 H new ATOM 958 N GLY A 67 -2.426 -3.289 -6.767 1.00 0.00 N ATOM 959 CA GLY A 67 -1.971 -4.646 -6.520 1.00 0.00 C ATOM 960 C GLY A 67 -0.583 -4.877 -7.120 1.00 0.00 C ATOM 961 O GLY A 67 -0.049 -4.011 -7.810 1.00 0.00 O ATOM 0 H GLY A 67 -1.720 -2.668 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.943 -4.834 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.679 -5.355 -6.949 1.00 0.00 H new ATOM 965 N PHE A 68 -0.038 -6.051 -6.834 1.00 0.00 N ATOM 966 CA PHE A 68 1.278 -6.407 -7.337 1.00 0.00 C ATOM 967 C PHE A 68 1.559 -7.897 -7.132 1.00 0.00 C ATOM 968 O PHE A 68 0.794 -8.590 -6.464 1.00 0.00 O ATOM 969 CB PHE A 68 2.298 -5.593 -6.538 1.00 0.00 C ATOM 970 CG PHE A 68 3.751 -5.843 -6.946 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.251 -5.264 -8.070 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.543 -6.644 -6.184 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.600 -5.495 -8.449 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.892 -6.876 -6.563 1.00 0.00 C ATOM 975 CZ PHE A 68 6.392 -6.297 -7.687 1.00 0.00 C ATOM 0 H PHE A 68 -0.484 -6.767 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 68 1.337 -6.197 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.075 -4.533 -6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.184 -5.825 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.622 -4.628 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.146 -7.104 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.997 -5.034 -9.342 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.521 -7.513 -5.958 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.418 -6.474 -7.975 1.00 0.00 H new ATOM 985 N THR A 69 2.659 -8.345 -7.720 1.00 0.00 N ATOM 986 CA THR A 69 3.050 -9.740 -7.610 1.00 0.00 C ATOM 987 C THR A 69 4.515 -9.851 -7.181 1.00 0.00 C ATOM 988 O THR A 69 5.409 -9.387 -7.887 1.00 0.00 O ATOM 989 CB THR A 69 2.756 -10.421 -8.948 1.00 0.00 C ATOM 990 OG1 THR A 69 1.360 -10.705 -8.893 1.00 0.00 O ATOM 991 CG2 THR A 69 3.412 -11.798 -9.062 1.00 0.00 C ATOM 0 H THR A 69 3.291 -7.767 -8.274 1.00 0.00 H new ATOM 0 HA THR A 69 2.477 -10.251 -6.836 1.00 0.00 H new ATOM 0 HB THR A 69 3.104 -9.786 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.083 -11.146 -9.723 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.171 -12.237 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.493 -11.695 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.040 -12.445 -8.268 1.00 0.00 H new ATOM 999 N VAL A 70 4.715 -10.469 -6.026 1.00 0.00 N ATOM 1000 CA VAL A 70 6.056 -10.647 -5.495 1.00 0.00 C ATOM 1001 C VAL A 70 6.653 -11.941 -6.052 1.00 0.00 C ATOM 1002 O VAL A 70 5.921 -12.859 -6.417 1.00 0.00 O ATOM 1003 CB VAL A 70 6.021 -10.613 -3.966 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.436 -10.662 -3.385 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.263 -9.384 -3.461 1.00 0.00 C ATOM 0 H VAL A 70 3.971 -10.853 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 70 6.704 -9.829 -5.810 1.00 0.00 H new ATOM 0 HB VAL A 70 5.487 -11.499 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.383 -10.637 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.928 -11.581 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.005 -9.803 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.253 -9.385 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.756 -8.480 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.239 -9.410 -3.833 1.00 0.00 H new ATOM 1015 N LYS A 71 7.976 -11.972 -6.099 1.00 0.00 N ATOM 1016 CA LYS A 71 8.680 -13.138 -6.605 1.00 0.00 C ATOM 1017 C LYS A 71 9.898 -13.416 -5.722 1.00 0.00 C ATOM 1018 O LYS A 71 10.239 -12.611 -4.857 1.00 0.00 O ATOM 1019 CB LYS A 71 9.022 -12.957 -8.085 1.00 0.00 C ATOM 1020 CG LYS A 71 9.955 -11.763 -8.291 1.00 0.00 C ATOM 1021 CD LYS A 71 9.693 -11.088 -9.639 1.00 0.00 C ATOM 1022 CE LYS A 71 8.415 -10.249 -9.593 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.652 -8.909 -10.176 1.00 0.00 N ATOM 0 H LYS A 71 8.580 -11.208 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 71 8.041 -14.020 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.495 -13.862 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.106 -12.810 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.812 -11.042 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.992 -12.095 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.539 -10.454 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.607 -11.845 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.621 -10.755 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.076 -10.149 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.774 -8.353 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.395 -8.422 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.954 -9.010 -11.166 1.00 0.00 H new ATOM 1037 N ASP A 72 10.522 -14.558 -5.972 1.00 0.00 N ATOM 1038 CA ASP A 72 11.695 -14.952 -5.211 1.00 0.00 C ATOM 1039 C ASP A 72 11.320 -15.077 -3.732 1.00 0.00 C ATOM 1040 O ASP A 72 11.621 -14.190 -2.935 1.00 0.00 O ATOM 1041 CB ASP A 72 12.806 -13.907 -5.330 1.00 0.00 C ATOM 1042 CG ASP A 72 13.835 -14.179 -6.428 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.725 -15.020 -6.176 1.00 0.00 O ATOM 1044 OD2 ASP A 72 13.709 -13.541 -7.496 1.00 0.00 O ATOM 0 H ASP A 72 10.237 -15.223 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 72 12.050 -15.903 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.351 -12.934 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.326 -13.841 -4.374 1.00 0.00 H new ATOM 1049 N LEU A 73 10.669 -16.185 -3.412 1.00 0.00 N ATOM 1050 CA LEU A 73 10.250 -16.438 -2.043 1.00 0.00 C ATOM 1051 C LEU A 73 10.389 -17.931 -1.739 1.00 0.00 C ATOM 1052 O LEU A 73 10.165 -18.769 -2.611 1.00 0.00 O ATOM 1053 CB LEU A 73 8.841 -15.890 -1.805 1.00 0.00 C ATOM 1054 CG LEU A 73 8.569 -14.483 -2.340 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.066 -14.231 -2.480 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.249 -13.424 -1.469 1.00 0.00 C ATOM 0 H LEU A 73 10.421 -16.918 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 73 10.896 -15.909 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.125 -16.575 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.648 -15.893 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 73 9.003 -14.407 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.900 -13.224 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.638 -14.957 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.588 -14.333 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.040 -12.433 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.867 -13.490 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.326 -13.594 -1.464 1.00 0.00 H new ATOM 1068 N PRO A 74 10.768 -18.225 -0.466 1.00 0.00 N ATOM 1069 CA PRO A 74 10.940 -19.602 -0.036 1.00 0.00 C ATOM 1070 C PRO A 74 9.587 -20.284 0.172 1.00 0.00 C ATOM 1071 O PRO A 74 8.782 -19.839 0.989 1.00 0.00 O ATOM 1072 CB PRO A 74 11.765 -19.516 1.238 1.00 0.00 C ATOM 1073 CG PRO A 74 11.630 -18.083 1.726 1.00 0.00 C ATOM 1074 CD PRO A 74 11.042 -17.258 0.592 1.00 0.00 C ATOM 0 HA PRO A 74 11.446 -20.216 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.401 -20.220 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.808 -19.766 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.986 -18.038 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.602 -17.687 2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.132 -16.746 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.740 -16.491 0.257 1.00 0.00 H new ATOM 1082 N THR A 75 9.377 -21.354 -0.581 1.00 0.00 N ATOM 1083 CA THR A 75 8.135 -22.102 -0.488 1.00 0.00 C ATOM 1084 C THR A 75 7.974 -22.698 0.911 1.00 0.00 C ATOM 1085 O THR A 75 8.809 -23.484 1.356 1.00 0.00 O ATOM 1086 CB THR A 75 8.133 -23.153 -1.600 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.064 -22.389 -2.801 1.00 0.00 O ATOM 1088 CG2 THR A 75 6.850 -23.987 -1.615 1.00 0.00 C ATOM 0 H THR A 75 10.046 -21.721 -1.258 1.00 0.00 H new ATOM 0 HA THR A 75 7.271 -21.453 -0.631 1.00 0.00 H new ATOM 0 HB THR A 75 8.993 -23.811 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.340 -21.733 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.900 -24.717 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.742 -24.506 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.992 -23.332 -1.770 1.00 0.00 H new ATOM 1096 N GLY A 76 6.894 -22.301 1.568 1.00 0.00 N ATOM 1097 CA GLY A 76 6.612 -22.786 2.908 1.00 0.00 C ATOM 1098 C GLY A 76 7.294 -21.912 3.962 1.00 0.00 C ATOM 1099 O GLY A 76 7.818 -22.421 4.952 1.00 0.00 O ATOM 0 H GLY A 76 6.203 -21.649 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.535 -22.792 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.956 -23.816 3.006 1.00 0.00 H new ATOM 1103 N ALA A 77 7.266 -20.611 3.714 1.00 0.00 N ATOM 1104 CA ALA A 77 7.875 -19.661 4.629 1.00 0.00 C ATOM 1105 C ALA A 77 6.874 -18.548 4.943 1.00 0.00 C ATOM 1106 O ALA A 77 6.268 -17.979 4.037 1.00 0.00 O ATOM 1107 CB ALA A 77 9.172 -19.123 4.019 1.00 0.00 C ATOM 0 H ALA A 77 6.831 -20.192 2.892 1.00 0.00 H new ATOM 0 HA ALA A 77 8.134 -20.147 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.629 -18.410 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.861 -19.949 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.951 -18.626 3.074 1.00 0.00 H new ATOM 1113 N ARG A 78 6.731 -18.270 6.231 1.00 0.00 N ATOM 1114 CA ARG A 78 5.813 -17.235 6.676 1.00 0.00 C ATOM 1115 C ARG A 78 6.422 -15.851 6.445 1.00 0.00 C ATOM 1116 O ARG A 78 7.228 -15.381 7.247 1.00 0.00 O ATOM 1117 CB ARG A 78 5.479 -17.396 8.161 1.00 0.00 C ATOM 1118 CG ARG A 78 4.223 -18.249 8.350 1.00 0.00 C ATOM 1119 CD ARG A 78 4.584 -19.657 8.829 1.00 0.00 C ATOM 1120 NE ARG A 78 3.536 -20.165 9.742 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.516 -21.407 10.246 1.00 0.00 C ATOM 1122 NH1 ARG A 78 4.486 -22.274 9.928 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.525 -21.781 11.067 1.00 0.00 N ATOM 0 H ARG A 78 7.236 -18.744 6.980 1.00 0.00 H new ATOM 0 HA ARG A 78 4.895 -17.334 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.319 -17.859 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.328 -16.415 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.561 -17.773 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.675 -18.310 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.688 -20.325 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.547 -19.641 9.340 1.00 0.00 H new ATOM 0 HE ARG A 78 2.782 -19.530 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.240 -21.989 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.471 -23.219 10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.786 -21.121 11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.510 -22.726 11.451 1.00 0.00 H new ATOM 1137 N ILE A 79 6.013 -15.235 5.345 1.00 0.00 N ATOM 1138 CA ILE A 79 6.508 -13.914 4.999 1.00 0.00 C ATOM 1139 C ILE A 79 5.371 -12.898 5.128 1.00 0.00 C ATOM 1140 O ILE A 79 4.230 -13.189 4.774 1.00 0.00 O ATOM 1141 CB ILE A 79 7.161 -13.932 3.615 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.286 -14.968 3.554 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.645 -12.536 3.219 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.787 -15.149 2.120 1.00 0.00 C ATOM 0 H ILE A 79 5.344 -15.627 4.682 1.00 0.00 H new ATOM 0 HA ILE A 79 7.291 -13.607 5.692 1.00 0.00 H new ATOM 0 HB ILE A 79 6.408 -14.230 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.110 -14.653 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.928 -15.922 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.105 -12.577 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.798 -11.850 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.377 -12.185 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.586 -15.890 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.966 -15.487 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.166 -14.199 1.745 1.00 0.00 H new ATOM 1156 N LEU A 80 5.723 -11.726 5.637 1.00 0.00 N ATOM 1157 CA LEU A 80 4.746 -10.666 5.818 1.00 0.00 C ATOM 1158 C LEU A 80 4.919 -9.625 4.710 1.00 0.00 C ATOM 1159 O LEU A 80 6.040 -9.225 4.399 1.00 0.00 O ATOM 1160 CB LEU A 80 4.843 -10.083 7.230 1.00 0.00 C ATOM 1161 CG LEU A 80 4.073 -10.833 8.319 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.496 -10.363 9.712 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.563 -10.710 8.106 1.00 0.00 C ATOM 0 H LEU A 80 6.671 -11.488 5.929 1.00 0.00 H new ATOM 0 HA LEU A 80 3.734 -11.061 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.894 -10.047 7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.485 -9.054 7.202 1.00 0.00 H new ATOM 0 HG LEU A 80 4.323 -11.892 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.934 -10.912 10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.562 -10.545 9.849 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.294 -9.297 9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.039 -11.252 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.276 -9.659 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.297 -11.131 7.137 1.00 0.00 H new ATOM 1175 N PHE A 81 3.793 -9.216 4.145 1.00 0.00 N ATOM 1176 CA PHE A 81 3.806 -8.229 3.079 1.00 0.00 C ATOM 1177 C PHE A 81 3.110 -6.939 3.517 1.00 0.00 C ATOM 1178 O PHE A 81 2.028 -6.981 4.100 1.00 0.00 O ATOM 1179 CB PHE A 81 3.039 -8.834 1.901 1.00 0.00 C ATOM 1180 CG PHE A 81 3.673 -10.104 1.332 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.993 -10.117 1.002 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.918 -11.222 1.157 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.581 -11.297 0.474 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.506 -12.401 0.629 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.826 -12.414 0.299 1.00 0.00 C ATOM 0 H PHE A 81 2.865 -9.550 4.405 1.00 0.00 H new ATOM 0 HA PHE A 81 4.834 -7.983 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.022 -9.060 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.966 -8.090 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.593 -9.230 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.871 -11.212 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.629 -11.307 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.906 -13.288 0.489 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.274 -13.311 -0.102 1.00 0.00 H new ATOM 1195 N ARG A 82 3.759 -5.823 3.219 1.00 0.00 N ATOM 1196 CA ARG A 82 3.216 -4.523 3.575 1.00 0.00 C ATOM 1197 C ARG A 82 3.338 -3.556 2.395 1.00 0.00 C ATOM 1198 O ARG A 82 4.356 -3.538 1.705 1.00 0.00 O ATOM 1199 CB ARG A 82 3.944 -3.935 4.785 1.00 0.00 C ATOM 1200 CG ARG A 82 5.330 -3.418 4.393 1.00 0.00 C ATOM 1201 CD ARG A 82 6.124 -2.986 5.628 1.00 0.00 C ATOM 1202 NE ARG A 82 7.505 -2.622 5.240 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.842 -1.458 4.668 1.00 0.00 C ATOM 1204 NH1 ARG A 82 6.902 -0.538 4.414 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.121 -1.214 4.350 1.00 0.00 N ATOM 0 H ARG A 82 4.656 -5.792 2.735 1.00 0.00 H new ATOM 0 HA ARG A 82 2.165 -4.661 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.355 -3.122 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.041 -4.695 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.875 -4.197 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.228 -2.575 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.636 -2.136 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.144 -3.794 6.359 1.00 0.00 H new ATOM 0 HE ARG A 82 8.246 -3.299 5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.929 -0.723 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.160 0.348 3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.837 -1.914 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.378 -0.328 3.915 1.00 0.00 H new ATOM 1219 N VAL A 83 2.285 -2.776 2.200 1.00 0.00 N ATOM 1220 CA VAL A 83 2.261 -1.809 1.116 1.00 0.00 C ATOM 1221 C VAL A 83 2.252 -0.395 1.700 1.00 0.00 C ATOM 1222 O VAL A 83 1.574 -0.133 2.693 1.00 0.00 O ATOM 1223 CB VAL A 83 1.069 -2.083 0.197 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.593 -0.797 -0.482 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.412 -3.155 -0.840 1.00 0.00 C ATOM 0 H VAL A 83 1.442 -2.794 2.774 1.00 0.00 H new ATOM 0 HA VAL A 83 3.157 -1.902 0.502 1.00 0.00 H new ATOM 0 HB VAL A 83 0.252 -2.460 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.255 -1.020 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.290 -0.075 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.404 -0.378 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.548 -3.331 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.252 -2.818 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.681 -4.081 -0.331 1.00 0.00 H new ATOM 1235 N VAL A 84 3.012 0.481 1.059 1.00 0.00 N ATOM 1236 CA VAL A 84 3.101 1.861 1.503 1.00 0.00 C ATOM 1237 C VAL A 84 3.070 2.787 0.284 1.00 0.00 C ATOM 1238 O VAL A 84 3.831 2.597 -0.663 1.00 0.00 O ATOM 1239 CB VAL A 84 4.347 2.054 2.369 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.078 1.638 3.816 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.540 1.290 1.791 1.00 0.00 C ATOM 0 H VAL A 84 3.572 0.261 0.235 1.00 0.00 H new ATOM 0 HA VAL A 84 2.246 2.117 2.128 1.00 0.00 H new ATOM 0 HB VAL A 84 4.596 3.115 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.980 1.785 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.271 2.245 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.792 0.587 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.413 1.444 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.305 0.226 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.753 1.654 0.786 1.00 0.00 H new ATOM 1251 N GLY A 85 2.183 3.768 0.349 1.00 0.00 N ATOM 1252 CA GLY A 85 2.044 4.724 -0.737 1.00 0.00 C ATOM 1253 C GLY A 85 3.192 5.734 -0.729 1.00 0.00 C ATOM 1254 O GLY A 85 3.467 6.360 0.294 1.00 0.00 O ATOM 0 H GLY A 85 1.553 3.922 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.026 4.196 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.093 5.248 -0.645 1.00 0.00 H new ATOM 1258 N VAL A 86 3.833 5.862 -1.882 1.00 0.00 N ATOM 1259 CA VAL A 86 4.946 6.786 -2.021 1.00 0.00 C ATOM 1260 C VAL A 86 4.443 8.096 -2.631 1.00 0.00 C ATOM 1261 O VAL A 86 3.423 8.114 -3.318 1.00 0.00 O ATOM 1262 CB VAL A 86 6.065 6.138 -2.838 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.754 5.029 -2.040 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.534 5.606 -4.170 1.00 0.00 C ATOM 0 H VAL A 86 3.603 5.341 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 86 5.369 7.023 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 86 6.808 6.905 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.545 4.585 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.183 5.448 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.025 4.263 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.350 5.150 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.762 4.860 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.111 6.428 -4.748 1.00 0.00 H new ATOM 1274 N ASN A 87 5.181 9.161 -2.357 1.00 0.00 N ATOM 1275 CA ASN A 87 4.823 10.473 -2.870 1.00 0.00 C ATOM 1276 C ASN A 87 5.784 11.518 -2.302 1.00 0.00 C ATOM 1277 O ASN A 87 6.622 11.203 -1.458 1.00 0.00 O ATOM 1278 CB ASN A 87 3.403 10.859 -2.451 1.00 0.00 C ATOM 1279 CG ASN A 87 3.174 10.575 -0.965 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.791 9.708 -0.370 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.253 11.353 -0.402 1.00 0.00 N ATOM 0 H ASN A 87 6.026 9.143 -1.786 1.00 0.00 H new ATOM 0 HA ASN A 87 4.881 10.437 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.235 11.917 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.680 10.302 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.027 11.242 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.773 12.060 -0.959 1.00 0.00 H new ATOM 1288 N ILE A 88 5.631 12.742 -2.787 1.00 0.00 N ATOM 1289 CA ILE A 88 6.476 13.836 -2.337 1.00 0.00 C ATOM 1290 C ILE A 88 6.525 13.842 -0.808 1.00 0.00 C ATOM 1291 O ILE A 88 7.589 14.019 -0.218 1.00 0.00 O ATOM 1292 CB ILE A 88 6.005 15.160 -2.943 1.00 0.00 C ATOM 1293 CG1 ILE A 88 7.087 16.234 -2.820 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.680 15.606 -2.321 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.292 16.960 -4.152 1.00 0.00 C ATOM 0 H ILE A 88 4.935 13.000 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 88 7.499 13.697 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 88 5.825 15.005 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.806 16.952 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.024 15.777 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.367 16.549 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.919 14.847 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.809 15.739 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.066 17.719 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.596 16.243 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.359 17.436 -4.454 1.00 0.00 H new ATOM 1307 N ALA A 89 5.359 13.645 -0.210 1.00 0.00 N ATOM 1308 CA ALA A 89 5.255 13.626 1.239 1.00 0.00 C ATOM 1309 C ALA A 89 6.160 12.525 1.796 1.00 0.00 C ATOM 1310 O ALA A 89 6.687 12.649 2.901 1.00 0.00 O ATOM 1311 CB ALA A 89 3.792 13.439 1.644 1.00 0.00 C ATOM 0 H ALA A 89 4.478 13.497 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 89 5.591 14.574 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.714 13.425 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.197 14.262 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.421 12.497 1.241 1.00 0.00 H new ATOM 1317 N GLY A 90 6.312 11.472 1.006 1.00 0.00 N ATOM 1318 CA GLY A 90 7.144 10.350 1.406 1.00 0.00 C ATOM 1319 C GLY A 90 6.356 9.039 1.359 1.00 0.00 C ATOM 1320 O GLY A 90 5.837 8.659 0.310 1.00 0.00 O ATOM 0 H GLY A 90 5.873 11.372 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.010 10.282 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.523 10.515 2.415 1.00 0.00 H new ATOM 1324 N ARG A 91 6.290 8.384 2.509 1.00 0.00 N ATOM 1325 CA ARG A 91 5.574 7.124 2.612 1.00 0.00 C ATOM 1326 C ARG A 91 4.470 7.225 3.666 1.00 0.00 C ATOM 1327 O ARG A 91 4.524 8.082 4.547 1.00 0.00 O ATOM 1328 CB ARG A 91 6.521 5.981 2.984 1.00 0.00 C ATOM 1329 CG ARG A 91 7.308 6.312 4.254 1.00 0.00 C ATOM 1330 CD ARG A 91 7.127 5.221 5.311 1.00 0.00 C ATOM 1331 NE ARG A 91 7.962 5.521 6.496 1.00 0.00 N ATOM 1332 CZ ARG A 91 9.263 5.219 6.594 1.00 0.00 C ATOM 1333 NH1 ARG A 91 9.888 4.607 5.579 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.941 5.529 7.708 1.00 0.00 N ATOM 0 H ARG A 91 6.721 8.702 3.377 1.00 0.00 H new ATOM 0 HA ARG A 91 5.133 6.913 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.950 5.065 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.212 5.794 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.366 6.418 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.974 7.270 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.079 5.155 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.404 4.252 4.896 1.00 0.00 H new ATOM 0 HE ARG A 91 7.519 5.987 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.373 4.371 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.879 4.377 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.466 5.995 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.932 5.299 7.783 1.00 0.00 H new ATOM 1348 N SER A 92 3.493 6.339 3.542 1.00 0.00 N ATOM 1349 CA SER A 92 2.378 6.318 4.473 1.00 0.00 C ATOM 1350 C SER A 92 2.405 5.027 5.294 1.00 0.00 C ATOM 1351 O SER A 92 3.164 4.109 4.987 1.00 0.00 O ATOM 1352 CB SER A 92 1.043 6.450 3.737 1.00 0.00 C ATOM 1353 OG SER A 92 0.822 5.370 2.834 1.00 0.00 O ATOM 0 H SER A 92 3.451 5.630 2.810 1.00 0.00 H new ATOM 0 HA SER A 92 2.478 7.171 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.231 6.487 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.023 7.391 3.188 1.00 0.00 H new ATOM 0 HG SER A 92 -0.041 5.490 2.385 1.00 0.00 H new ATOM 1359 N GLU A 93 1.569 4.999 6.321 1.00 0.00 N ATOM 1360 CA GLU A 93 1.488 3.836 7.188 1.00 0.00 C ATOM 1361 C GLU A 93 1.395 2.557 6.354 1.00 0.00 C ATOM 1362 O GLU A 93 0.614 2.485 5.406 1.00 0.00 O ATOM 1363 CB GLU A 93 0.304 3.951 8.150 1.00 0.00 C ATOM 1364 CG GLU A 93 0.663 4.812 9.363 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.240 4.485 10.554 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -0.002 3.426 11.173 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -1.148 5.303 10.819 1.00 0.00 O ATOM 0 H GLU A 93 0.942 5.763 6.572 1.00 0.00 H new ATOM 0 HA GLU A 93 2.397 3.790 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.550 4.386 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.003 2.957 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.705 4.646 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.565 5.867 9.107 1.00 0.00 H new ATOM 1374 N PRO A 94 2.224 1.553 6.746 1.00 0.00 N ATOM 1375 CA PRO A 94 2.243 0.280 6.045 1.00 0.00 C ATOM 1376 C PRO A 94 1.010 -0.555 6.393 1.00 0.00 C ATOM 1377 O PRO A 94 0.789 -0.888 7.557 1.00 0.00 O ATOM 1378 CB PRO A 94 3.546 -0.380 6.464 1.00 0.00 C ATOM 1379 CG PRO A 94 3.984 0.331 7.734 1.00 0.00 C ATOM 1380 CD PRO A 94 3.162 1.602 7.864 1.00 0.00 C ATOM 0 HA PRO A 94 2.201 0.395 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.404 -1.446 6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.301 -0.285 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.834 -0.311 8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.047 0.567 7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.638 1.639 8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.793 2.489 7.813 1.00 0.00 H new ATOM 1388 N ALA A 95 0.238 -0.870 5.363 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.968 -1.661 5.545 1.00 0.00 C ATOM 1390 C ALA A 95 -0.589 -3.138 5.673 1.00 0.00 C ATOM 1391 O ALA A 95 -1.062 -3.972 4.902 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.928 -1.403 4.383 1.00 0.00 C ATOM 0 H ALA A 95 0.424 -0.592 4.399 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.482 -1.372 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.832 -1.996 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.189 -0.345 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.448 -1.684 3.445 1.00 0.00 H new ATOM 1398 N THR A 96 0.260 -3.416 6.651 1.00 0.00 N ATOM 1399 CA THR A 96 0.707 -4.778 6.890 1.00 0.00 C ATOM 1400 C THR A 96 -0.443 -5.763 6.670 1.00 0.00 C ATOM 1401 O THR A 96 -1.611 -5.389 6.759 1.00 0.00 O ATOM 1402 CB THR A 96 1.300 -4.841 8.299 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.092 -3.660 8.395 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.309 -5.980 8.458 1.00 0.00 C ATOM 0 H THR A 96 0.650 -2.721 7.288 1.00 0.00 H new ATOM 0 HA THR A 96 1.483 -5.069 6.182 1.00 0.00 H new ATOM 0 HB THR A 96 0.497 -4.963 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.513 -3.619 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.700 -5.980 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.818 -6.932 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.130 -5.840 7.754 1.00 0.00 H new ATOM 1412 N LEU A 97 -0.071 -7.003 6.386 1.00 0.00 N ATOM 1413 CA LEU A 97 -1.057 -8.044 6.152 1.00 0.00 C ATOM 1414 C LEU A 97 -1.548 -8.586 7.496 1.00 0.00 C ATOM 1415 O LEU A 97 -0.765 -8.735 8.433 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.489 -9.121 5.226 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.649 -8.868 3.725 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.059 -10.019 2.909 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.113 -8.602 3.367 1.00 0.00 C ATOM 0 H LEU A 97 0.899 -7.310 6.313 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.926 -7.637 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.573 -9.236 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.969 -10.070 5.468 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.087 -7.970 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.186 -9.814 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.003 -10.119 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.573 -10.946 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.199 -8.425 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.718 -9.466 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.466 -7.725 3.909 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.842 -8.866 7.548 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.447 -9.389 8.761 1.00 0.00 C ATOM 1433 C LEU A 98 -2.679 -10.632 9.215 1.00 0.00 C ATOM 1434 O LEU A 98 -2.493 -10.850 10.411 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.943 -9.632 8.553 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.844 -8.400 8.663 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -7.076 -8.541 7.767 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.224 -8.128 10.120 1.00 0.00 C ATOM 0 H LEU A 98 -3.489 -8.740 6.769 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.376 -8.658 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.085 -10.075 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.277 -10.368 9.284 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.285 -7.534 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.700 -7.652 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.761 -8.652 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.647 -9.419 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.864 -7.247 10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.758 -8.989 10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.321 -7.954 10.705 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.253 -11.415 8.235 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.510 -12.631 8.518 1.00 0.00 C ATOM 1452 C GLN A 99 -0.428 -12.851 7.458 1.00 0.00 C ATOM 1453 O GLN A 99 -0.518 -12.317 6.354 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.446 -13.839 8.604 1.00 0.00 C ATOM 1455 CG GLN A 99 -2.984 -14.215 7.222 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.845 -15.478 7.294 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -3.547 -16.423 8.006 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.925 -15.441 6.520 1.00 0.00 N ATOM 0 H GLN A 99 -2.408 -11.231 7.244 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.025 -12.519 9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.913 -14.687 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.277 -13.613 9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.574 -13.391 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.153 -14.376 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.115 -14.618 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.564 -16.236 6.498 1.00 0.00 H new ATOM 1467 N PRO A 100 0.597 -13.658 7.842 1.00 0.00 N ATOM 1468 CA PRO A 100 1.695 -13.955 6.938 1.00 0.00 C ATOM 1469 C PRO A 100 1.264 -14.954 5.862 1.00 0.00 C ATOM 1470 O PRO A 100 0.169 -15.511 5.929 1.00 0.00 O ATOM 1471 CB PRO A 100 2.807 -14.484 7.829 1.00 0.00 C ATOM 1472 CG PRO A 100 2.136 -14.901 9.128 1.00 0.00 C ATOM 1473 CD PRO A 100 0.737 -14.308 9.142 1.00 0.00 C ATOM 0 HA PRO A 100 2.031 -13.079 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.313 -15.329 7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.562 -13.719 8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.091 -15.988 9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.709 -14.546 9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.019 -15.080 9.282 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.618 -13.594 9.957 1.00 0.00 H new ATOM 1481 N VAL A 101 2.149 -15.151 4.895 1.00 0.00 N ATOM 1482 CA VAL A 101 1.874 -16.074 3.807 1.00 0.00 C ATOM 1483 C VAL A 101 2.874 -17.231 3.860 1.00 0.00 C ATOM 1484 O VAL A 101 4.069 -17.015 4.057 1.00 0.00 O ATOM 1485 CB VAL A 101 1.894 -15.328 2.471 1.00 0.00 C ATOM 1486 CG1 VAL A 101 1.979 -16.306 1.298 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.675 -14.414 2.335 1.00 0.00 C ATOM 0 H VAL A 101 3.056 -14.687 4.843 1.00 0.00 H new ATOM 0 HA VAL A 101 0.877 -16.501 3.911 1.00 0.00 H new ATOM 0 HB VAL A 101 2.786 -14.702 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.992 -15.750 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.891 -16.896 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.115 -16.970 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.714 -13.896 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.235 -15.011 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.677 -13.683 3.143 1.00 0.00 H new ATOM 1497 N THR A 102 2.348 -18.434 3.681 1.00 0.00 N ATOM 1498 CA THR A 102 3.179 -19.625 3.706 1.00 0.00 C ATOM 1499 C THR A 102 3.943 -19.771 2.388 1.00 0.00 C ATOM 1500 O THR A 102 4.976 -20.436 2.335 1.00 0.00 O ATOM 1501 CB THR A 102 2.280 -20.822 4.023 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.419 -20.998 5.430 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.814 -22.128 3.430 1.00 0.00 C ATOM 0 H THR A 102 1.356 -18.609 3.518 1.00 0.00 H new ATOM 0 HA THR A 102 3.942 -19.558 4.482 1.00 0.00 H new ATOM 0 HB THR A 102 1.276 -20.633 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.867 -21.754 5.721 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.139 -22.946 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.880 -22.035 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.804 -22.335 3.837 1.00 0.00 H new ATOM 1511 N ILE A 103 3.404 -19.138 1.356 1.00 0.00 N ATOM 1512 CA ILE A 103 4.022 -19.188 0.042 1.00 0.00 C ATOM 1513 C ILE A 103 3.958 -20.621 -0.492 1.00 0.00 C ATOM 1514 O ILE A 103 4.818 -21.443 -0.179 1.00 0.00 O ATOM 1515 CB ILE A 103 5.439 -18.614 0.093 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.429 -17.177 0.618 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.124 -18.721 -1.271 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.748 -16.234 -0.376 1.00 0.00 C ATOM 0 H ILE A 103 2.546 -18.588 1.403 1.00 0.00 H new ATOM 0 HA ILE A 103 3.474 -18.560 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 103 6.024 -19.210 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.909 -17.139 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.451 -16.845 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.130 -18.306 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.182 -19.768 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.549 -18.165 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.755 -15.219 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.285 -16.255 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.718 -16.555 -0.535 1.00 0.00 H new ATOM 1530 N ARG A 104 2.931 -20.876 -1.289 1.00 0.00 N ATOM 1531 CA ARG A 104 2.743 -22.195 -1.869 1.00 0.00 C ATOM 1532 C ARG A 104 1.490 -22.216 -2.746 1.00 0.00 C ATOM 1533 O ARG A 104 0.463 -21.645 -2.382 1.00 0.00 O ATOM 1534 CB ARG A 104 2.613 -23.262 -0.780 1.00 0.00 C ATOM 1535 CG ARG A 104 2.174 -24.602 -1.375 1.00 0.00 C ATOM 1536 CD ARG A 104 2.958 -25.761 -0.755 1.00 0.00 C ATOM 1537 NE ARG A 104 2.228 -27.032 -0.960 1.00 0.00 N ATOM 1538 CZ ARG A 104 2.754 -28.244 -0.738 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.017 -28.357 -0.303 1.00 0.00 N ATOM 1540 NH2 ARG A 104 2.018 -29.343 -0.952 1.00 0.00 N ATOM 0 H ARG A 104 2.220 -20.191 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 104 3.620 -22.418 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.568 -23.383 -0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.889 -22.937 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.107 -24.748 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.326 -24.592 -2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.948 -25.824 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.104 -25.584 0.311 1.00 0.00 H new ATOM 0 HE ARG A 104 1.264 -26.982 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.577 -27.520 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.418 -29.280 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.057 -29.257 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.418 -30.266 -0.783 1.00 0.00 H new ATOM 1554 N GLU A 105 1.615 -22.880 -3.886 1.00 0.00 N ATOM 1555 CA GLU A 105 0.505 -22.983 -4.818 1.00 0.00 C ATOM 1556 C GLU A 105 -0.443 -24.106 -4.392 1.00 0.00 C ATOM 1557 O GLU A 105 -0.024 -25.066 -3.748 1.00 0.00 O ATOM 1558 CB GLU A 105 1.007 -23.201 -6.246 1.00 0.00 C ATOM 1559 CG GLU A 105 0.301 -22.261 -7.225 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.903 -22.948 -7.873 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -0.665 -23.897 -8.650 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -2.035 -22.508 -7.575 1.00 0.00 O ATOM 0 H GLU A 105 2.468 -23.352 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.047 -22.043 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.083 -23.033 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.835 -24.236 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.027 -21.363 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.001 -21.942 -7.997 1.00 0.00 H new ATOM 1569 N SER A 106 -1.703 -23.948 -4.770 1.00 0.00 N ATOM 1570 CA SER A 106 -2.714 -24.937 -4.436 1.00 0.00 C ATOM 1571 C SER A 106 -2.920 -24.983 -2.920 1.00 0.00 C ATOM 1572 O SER A 106 -2.190 -24.335 -2.171 1.00 0.00 O ATOM 1573 CB SER A 106 -2.326 -26.320 -4.961 1.00 0.00 C ATOM 1574 OG SER A 106 -3.385 -26.928 -5.697 1.00 0.00 O ATOM 0 H SER A 106 -2.047 -23.150 -5.304 1.00 0.00 H new ATOM 0 HA SER A 106 -3.649 -24.646 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.446 -26.232 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.051 -26.962 -4.124 1.00 0.00 H new ATOM 0 HG SER A 106 -3.098 -27.809 -6.017 1.00 0.00 H new ATOM 1580 N GLY A 107 -3.917 -25.755 -2.514 1.00 0.00 N ATOM 1581 CA GLY A 107 -4.228 -25.893 -1.101 1.00 0.00 C ATOM 1582 C GLY A 107 -4.790 -24.589 -0.533 1.00 0.00 C ATOM 1583 O GLY A 107 -4.034 -23.681 -0.190 1.00 0.00 O ATOM 0 H GLY A 107 -4.520 -26.291 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.951 -26.696 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.329 -26.175 -0.553 1.00 0.00 H new ATOM 1587 N PRO A 108 -6.146 -24.535 -0.448 1.00 0.00 N ATOM 1588 CA PRO A 108 -6.817 -23.357 0.073 1.00 0.00 C ATOM 1589 C PRO A 108 -6.685 -23.278 1.595 1.00 0.00 C ATOM 1590 O PRO A 108 -7.393 -23.976 2.320 1.00 0.00 O ATOM 1591 CB PRO A 108 -8.258 -23.487 -0.392 1.00 0.00 C ATOM 1592 CG PRO A 108 -8.448 -24.951 -0.755 1.00 0.00 C ATOM 1593 CD PRO A 108 -7.073 -25.591 -0.845 1.00 0.00 C ATOM 0 HA PRO A 108 -6.377 -22.428 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -8.951 -23.186 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.451 -22.843 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -9.055 -25.455 -0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -8.975 -25.044 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.995 -26.455 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.865 -25.941 -1.856 1.00 0.00 H new ATOM 1601 N SER A 109 -5.773 -22.424 2.035 1.00 0.00 N ATOM 1602 CA SER A 109 -5.538 -22.245 3.458 1.00 0.00 C ATOM 1603 C SER A 109 -6.080 -20.888 3.911 1.00 0.00 C ATOM 1604 O SER A 109 -5.570 -19.845 3.504 1.00 0.00 O ATOM 1605 CB SER A 109 -4.049 -22.360 3.789 1.00 0.00 C ATOM 1606 OG SER A 109 -3.799 -23.341 4.792 1.00 0.00 O ATOM 0 H SER A 109 -5.187 -21.848 1.431 1.00 0.00 H new ATOM 0 HA SER A 109 -6.063 -23.036 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.496 -22.616 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.677 -21.393 4.127 1.00 0.00 H new ATOM 0 HG SER A 109 -2.837 -23.385 4.974 1.00 0.00 H new ATOM 1612 N SER A 110 -7.105 -20.946 4.748 1.00 0.00 N ATOM 1613 CA SER A 110 -7.722 -19.734 5.261 1.00 0.00 C ATOM 1614 C SER A 110 -8.123 -19.931 6.724 1.00 0.00 C ATOM 1615 O SER A 110 -7.676 -19.191 7.599 1.00 0.00 O ATOM 1616 CB SER A 110 -8.940 -19.339 4.424 1.00 0.00 C ATOM 1617 OG SER A 110 -9.549 -18.142 4.900 1.00 0.00 O ATOM 0 H SER A 110 -7.524 -21.813 5.084 1.00 0.00 H new ATOM 0 HA SER A 110 -6.994 -18.925 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.638 -19.204 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.670 -20.149 4.441 1.00 0.00 H new ATOM 0 HG SER A 110 -10.322 -17.922 4.338 1.00 0.00 H new ATOM 1623 N GLY A 111 -8.963 -20.931 6.945 1.00 0.00 N ATOM 1624 CA GLY A 111 -9.430 -21.234 8.287 1.00 0.00 C ATOM 1625 C GLY A 111 -10.325 -20.114 8.822 1.00 0.00 C ATOM 1626 O GLY A 111 -11.515 -20.323 9.053 1.00 0.00 O ATOM 0 H GLY A 111 -9.333 -21.542 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.982 -22.174 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.576 -21.371 8.951 1.00 0.00 H new TER 1630 GLY A 111