USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1117 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 110 THR OG1 : rot -98:sc= 0.906 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0.794 USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0.545 USER MOD Set 2.2: A 133 GLN : amide:sc= 0.606 K(o=1.2,f=0.049) USER MOD Set 3.1: A 30 TYR OH : rot 123:sc= 0.348 USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= 0.328 F(o=-0.64,f=0.68) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0428) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0203) USER MOD Single : A 48 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= -0.431 K(o=-0.43,f=-4.4!) USER MOD Single : A 54 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.44) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 73 ASN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 74 SER OG : rot -23:sc= 0.125 USER MOD Single : A 76 GLN : amide:sc= 0.354 K(o=0.35,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ 137:sc= -0.081 (180deg=-0.465) USER MOD Single : A 80 SER OG : rot -24:sc= 0.411 USER MOD Single : A 86 THR OG1 : rot 66:sc= 1.1 USER MOD Single : A 89 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.039) USER MOD Single : A 93 TYR OH : rot 70:sc= 0.331 USER MOD Single : A 96 THR OG1 : rot 10:sc= 1.09 USER MOD Single : A 99 MET CE :methyl 139:sc= -0.968 (180deg=-3.05!) USER MOD Single : A 104 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 108 SER OG : rot 91:sc= 0.942 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.4) USER MOD Single : A 130 HIS : no HE2:sc= 0.64 K(o=0.64,f=-2.2!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.4!) USER MOD Single : A 144 MET CE :methyl 160:sc= -0.149 (180deg=-0.692) USER MOD Single : A 146 TYR OH : rot 47:sc= 0.883 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.019 24.259 31.296 1.00 0.00 N ATOM 2 CA MET A 1 -1.890 23.587 30.649 1.00 52.33 C ATOM 3 C MET A 1 -2.366 22.798 29.442 1.00 65.12 C ATOM 4 O MET A 1 -3.261 21.954 29.567 1.00 44.53 O ATOM 5 CB MET A 1 -1.152 22.662 31.622 1.00 12.22 C ATOM 6 CG MET A 1 -0.402 23.390 32.716 1.00 53.10 C ATOM 7 SD MET A 1 0.407 22.268 33.863 1.00 73.51 S ATOM 8 CE MET A 1 1.205 23.449 34.953 1.00 32.32 C ATOM 0 H1 MET A 1 -2.667 24.875 32.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.530 24.832 30.595 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.663 23.548 31.697 1.00 0.00 H new ATOM 0 HA MET A 1 -1.191 24.357 30.322 1.00 52.33 H new ATOM 0 HB2 MET A 1 -1.872 21.984 32.079 1.00 12.22 H new ATOM 0 HB3 MET A 1 -0.448 22.048 31.060 1.00 12.22 H new ATOM 0 HG2 MET A 1 0.345 24.045 32.266 1.00 53.10 H new ATOM 0 HG3 MET A 1 -1.095 24.027 33.265 1.00 53.10 H new ATOM 0 HE1 MET A 1 1.755 22.915 35.728 1.00 32.32 H new ATOM 0 HE2 MET A 1 1.896 24.066 34.378 1.00 32.32 H new ATOM 0 HE3 MET A 1 0.450 24.085 35.416 1.00 32.32 H new ATOM 18 N PRO A 2 -1.796 23.067 28.255 1.00 24.43 N ATOM 19 CA PRO A 2 -2.179 22.373 27.027 1.00 40.01 C ATOM 20 C PRO A 2 -1.551 20.979 26.929 1.00 74.42 C ATOM 21 O PRO A 2 -0.432 20.746 27.414 1.00 33.21 O ATOM 22 CB PRO A 2 -1.626 23.284 25.931 1.00 34.24 C ATOM 23 CG PRO A 2 -0.424 23.919 26.543 1.00 4.13 C ATOM 24 CD PRO A 2 -0.733 24.075 28.009 1.00 70.00 C ATOM 0 HA PRO A 2 -3.254 22.206 26.965 1.00 40.01 H new ATOM 0 HB2 PRO A 2 -1.364 22.716 25.038 1.00 34.24 H new ATOM 0 HB3 PRO A 2 -2.359 24.032 25.629 1.00 34.24 H new ATOM 0 HG2 PRO A 2 0.461 23.300 26.395 1.00 4.13 H new ATOM 0 HG3 PRO A 2 -0.218 24.886 26.083 1.00 4.13 H new ATOM 0 HD2 PRO A 2 0.146 23.888 28.625 1.00 70.00 H new ATOM 0 HD3 PRO A 2 -1.076 25.083 28.241 1.00 70.00 H new ATOM 32 N GLY A 3 -2.266 20.063 26.342 1.00 44.50 N ATOM 33 CA GLY A 3 -1.753 18.734 26.148 1.00 52.01 C ATOM 34 C GLY A 3 -1.576 18.481 24.682 1.00 14.22 C ATOM 35 O GLY A 3 -0.573 18.915 24.075 1.00 20.31 O ATOM 0 H GLY A 3 -3.211 20.211 25.987 1.00 44.50 H new ATOM 0 HA2 GLY A 3 -0.801 18.620 26.666 1.00 52.01 H new ATOM 0 HA3 GLY A 3 -2.438 18.001 26.575 1.00 52.01 H new ATOM 39 N ARG A 4 -2.547 17.817 24.093 1.00 30.01 N ATOM 40 CA ARG A 4 -2.566 17.613 22.666 1.00 64.24 C ATOM 41 C ARG A 4 -2.928 18.934 22.032 1.00 53.22 C ATOM 42 O ARG A 4 -3.860 19.606 22.491 1.00 32.53 O ATOM 43 CB ARG A 4 -3.600 16.537 22.273 1.00 54.11 C ATOM 44 CG ARG A 4 -3.665 16.245 20.772 1.00 42.11 C ATOM 45 CD ARG A 4 -4.670 15.142 20.438 1.00 13.22 C ATOM 46 NE ARG A 4 -6.053 15.486 20.826 1.00 0.43 N ATOM 47 CZ ARG A 4 -7.145 14.758 20.521 1.00 42.13 C ATOM 48 NH1 ARG A 4 -7.044 13.679 19.731 1.00 70.34 N ATOM 49 NH2 ARG A 4 -8.340 15.135 20.987 1.00 1.12 N ATOM 0 H ARG A 4 -3.339 17.407 24.588 1.00 30.01 H new ATOM 0 HA ARG A 4 -1.591 17.266 22.323 1.00 64.24 H new ATOM 0 HB2 ARG A 4 -3.364 15.613 22.801 1.00 54.11 H new ATOM 0 HB3 ARG A 4 -4.586 16.856 22.612 1.00 54.11 H new ATOM 0 HG2 ARG A 4 -3.938 17.156 20.239 1.00 42.11 H new ATOM 0 HG3 ARG A 4 -2.677 15.952 20.418 1.00 42.11 H new ATOM 0 HD2 ARG A 4 -4.638 14.941 19.367 1.00 13.22 H new ATOM 0 HD3 ARG A 4 -4.374 14.223 20.944 1.00 13.22 H new ATOM 0 HE ARG A 4 -6.192 16.340 21.366 1.00 0.43 H new ATOM 0 HH11 ARG A 4 -6.136 13.404 19.356 1.00 70.34 H new ATOM 0 HH12 ARG A 4 -7.875 13.133 19.505 1.00 70.34 H new ATOM 0 HH21 ARG A 4 -8.421 15.969 21.569 1.00 1.12 H new ATOM 0 HH22 ARG A 4 -9.171 14.589 20.760 1.00 1.12 H new ATOM 63 N ALA A 5 -2.204 19.324 21.025 1.00 3.40 N ATOM 64 CA ALA A 5 -2.470 20.568 20.365 1.00 55.03 C ATOM 65 C ALA A 5 -3.659 20.443 19.433 1.00 14.35 C ATOM 66 O ALA A 5 -3.632 19.668 18.480 1.00 74.32 O ATOM 67 CB ALA A 5 -1.256 21.047 19.603 1.00 3.31 C ATOM 0 H ALA A 5 -1.421 18.796 20.641 1.00 3.40 H new ATOM 0 HA ALA A 5 -2.708 21.305 21.132 1.00 55.03 H new ATOM 0 HB1 ALA A 5 -1.485 21.993 19.111 1.00 3.31 H new ATOM 0 HB2 ALA A 5 -0.425 21.189 20.294 1.00 3.31 H new ATOM 0 HB3 ALA A 5 -0.981 20.305 18.853 1.00 3.31 H new ATOM 73 N PRO A 6 -4.714 21.217 19.677 1.00 41.13 N ATOM 74 CA PRO A 6 -5.900 21.230 18.833 1.00 64.34 C ATOM 75 C PRO A 6 -5.711 22.226 17.688 1.00 25.25 C ATOM 76 O PRO A 6 -6.655 22.843 17.214 1.00 11.31 O ATOM 77 CB PRO A 6 -6.980 21.713 19.800 1.00 12.34 C ATOM 78 CG PRO A 6 -6.271 22.652 20.719 1.00 41.53 C ATOM 79 CD PRO A 6 -4.848 22.163 20.814 1.00 25.23 C ATOM 0 HA PRO A 6 -6.132 20.271 18.369 1.00 64.34 H new ATOM 0 HB2 PRO A 6 -7.791 22.213 19.271 1.00 12.34 H new ATOM 0 HB3 PRO A 6 -7.422 20.881 20.348 1.00 12.34 H new ATOM 0 HG2 PRO A 6 -6.306 23.672 20.335 1.00 41.53 H new ATOM 0 HG3 PRO A 6 -6.743 22.665 21.701 1.00 41.53 H new ATOM 0 HD2 PRO A 6 -4.137 22.986 20.734 1.00 25.23 H new ATOM 0 HD3 PRO A 6 -4.659 21.670 21.767 1.00 25.23 H new ATOM 87 N GLY A 7 -4.473 22.347 17.245 1.00 54.13 N ATOM 88 CA GLY A 7 -4.124 23.269 16.204 1.00 53.25 C ATOM 89 C GLY A 7 -4.113 22.622 14.846 1.00 75.31 C ATOM 90 O GLY A 7 -3.763 23.256 13.850 1.00 73.14 O ATOM 0 H GLY A 7 -3.688 21.804 17.603 1.00 54.13 H new ATOM 0 HA2 GLY A 7 -4.832 24.097 16.203 1.00 53.25 H new ATOM 0 HA3 GLY A 7 -3.140 23.691 16.411 1.00 53.25 H new ATOM 94 N SER A 8 -4.480 21.382 14.797 1.00 3.31 N ATOM 95 CA SER A 8 -4.537 20.663 13.570 1.00 74.22 C ATOM 96 C SER A 8 -5.974 20.261 13.305 1.00 23.14 C ATOM 97 O SER A 8 -6.792 20.221 14.235 1.00 61.20 O ATOM 98 CB SER A 8 -3.614 19.442 13.645 1.00 5.15 C ATOM 99 OG SER A 8 -3.896 18.660 14.804 1.00 20.34 O ATOM 0 H SER A 8 -4.750 20.837 15.616 1.00 3.31 H new ATOM 0 HA SER A 8 -4.194 21.287 12.745 1.00 74.22 H new ATOM 0 HB2 SER A 8 -3.739 18.832 12.751 1.00 5.15 H new ATOM 0 HB3 SER A 8 -2.574 19.768 13.666 1.00 5.15 H new ATOM 0 HG SER A 8 -3.296 17.885 14.830 1.00 20.34 H new ATOM 105 N THR A 9 -6.294 20.005 12.070 1.00 12.43 N ATOM 106 CA THR A 9 -7.613 19.596 11.719 1.00 0.21 C ATOM 107 C THR A 9 -7.789 18.134 12.115 1.00 40.33 C ATOM 108 O THR A 9 -6.910 17.304 11.841 1.00 60.32 O ATOM 109 CB THR A 9 -7.828 19.743 10.200 1.00 2.34 C ATOM 110 OG1 THR A 9 -7.428 21.068 9.769 1.00 63.22 O ATOM 111 CG2 THR A 9 -9.284 19.528 9.839 1.00 34.33 C ATOM 0 H THR A 9 -5.647 20.075 11.284 1.00 12.43 H new ATOM 0 HA THR A 9 -8.340 20.220 12.239 1.00 0.21 H new ATOM 0 HB THR A 9 -7.221 18.989 9.699 1.00 2.34 H new ATOM 0 HG1 THR A 9 -7.566 21.153 8.802 1.00 63.22 H new ATOM 0 HG21 THR A 9 -9.412 19.637 8.762 1.00 34.33 H new ATOM 0 HG22 THR A 9 -9.590 18.526 10.141 1.00 34.33 H new ATOM 0 HG23 THR A 9 -9.899 20.266 10.354 1.00 34.33 H new ATOM 119 N LEU A 10 -8.858 17.827 12.815 1.00 40.52 N ATOM 120 CA LEU A 10 -9.145 16.455 13.148 1.00 72.22 C ATOM 121 C LEU A 10 -9.618 15.750 11.901 1.00 71.14 C ATOM 122 O LEU A 10 -10.255 16.368 11.043 1.00 14.05 O ATOM 123 CB LEU A 10 -10.188 16.344 14.249 1.00 73.23 C ATOM 124 CG LEU A 10 -9.809 16.920 15.618 1.00 14.54 C ATOM 125 CD1 LEU A 10 -10.929 16.670 16.599 1.00 73.01 C ATOM 126 CD2 LEU A 10 -8.511 16.311 16.139 1.00 50.22 C ATOM 0 H LEU A 10 -9.537 18.505 13.161 1.00 40.52 H new ATOM 0 HA LEU A 10 -8.236 15.987 13.527 1.00 72.22 H new ATOM 0 HB2 LEU A 10 -11.095 16.843 13.909 1.00 73.23 H new ATOM 0 HB3 LEU A 10 -10.434 15.290 14.380 1.00 73.23 H new ATOM 0 HG LEU A 10 -9.651 17.993 15.506 1.00 14.54 H new ATOM 0 HD11 LEU A 10 -10.659 17.080 17.572 1.00 73.01 H new ATOM 0 HD12 LEU A 10 -11.839 17.152 16.242 1.00 73.01 H new ATOM 0 HD13 LEU A 10 -11.099 15.597 16.692 1.00 73.01 H new ATOM 0 HD21 LEU A 10 -8.272 16.742 17.111 1.00 50.22 H new ATOM 0 HD22 LEU A 10 -8.630 15.232 16.239 1.00 50.22 H new ATOM 0 HD23 LEU A 10 -7.703 16.524 15.439 1.00 50.22 H new ATOM 138 N ALA A 11 -9.324 14.488 11.780 1.00 45.22 N ATOM 139 CA ALA A 11 -9.639 13.792 10.562 1.00 30.41 C ATOM 140 C ALA A 11 -10.562 12.610 10.759 1.00 52.35 C ATOM 141 O ALA A 11 -10.281 11.693 11.554 1.00 31.01 O ATOM 142 CB ALA A 11 -8.369 13.356 9.844 1.00 64.00 C ATOM 0 H ALA A 11 -8.872 13.923 12.499 1.00 45.22 H new ATOM 0 HA ALA A 11 -10.181 14.507 9.943 1.00 30.41 H new ATOM 0 HB1 ALA A 11 -8.632 12.832 8.925 1.00 64.00 H new ATOM 0 HB2 ALA A 11 -7.769 14.233 9.602 1.00 64.00 H new ATOM 0 HB3 ALA A 11 -7.796 12.691 10.490 1.00 64.00 H new ATOM 148 N ARG A 12 -11.666 12.658 10.061 1.00 15.42 N ATOM 149 CA ARG A 12 -12.572 11.552 9.942 1.00 72.51 C ATOM 150 C ARG A 12 -12.330 11.009 8.543 1.00 12.23 C ATOM 151 O ARG A 12 -12.392 11.760 7.554 1.00 30.23 O ATOM 152 CB ARG A 12 -14.052 11.993 10.140 1.00 41.12 C ATOM 153 CG ARG A 12 -14.575 12.982 9.100 1.00 44.42 C ATOM 154 CD ARG A 12 -16.001 13.398 9.366 1.00 61.32 C ATOM 155 NE ARG A 12 -16.488 14.343 8.345 1.00 31.23 N ATOM 156 CZ ARG A 12 -17.608 15.071 8.451 1.00 32.31 C ATOM 157 NH1 ARG A 12 -18.312 15.048 9.570 1.00 64.23 N ATOM 158 NH2 ARG A 12 -18.007 15.843 7.446 1.00 2.24 N ATOM 0 H ARG A 12 -11.965 13.488 9.548 1.00 15.42 H new ATOM 0 HA ARG A 12 -12.399 10.798 10.710 1.00 72.51 H new ATOM 0 HB2 ARG A 12 -14.685 11.106 10.126 1.00 41.12 H new ATOM 0 HB3 ARG A 12 -14.153 12.441 11.129 1.00 41.12 H new ATOM 0 HG2 ARG A 12 -13.937 13.866 9.091 1.00 44.42 H new ATOM 0 HG3 ARG A 12 -14.510 12.532 8.110 1.00 44.42 H new ATOM 0 HD2 ARG A 12 -16.641 12.516 9.382 1.00 61.32 H new ATOM 0 HD3 ARG A 12 -16.069 13.859 10.351 1.00 61.32 H new ATOM 0 HE ARG A 12 -15.932 14.451 7.496 1.00 31.23 H new ATOM 0 HH11 ARG A 12 -18.003 14.475 10.355 1.00 64.23 H new ATOM 0 HH12 ARG A 12 -19.164 15.603 9.648 1.00 64.23 H new ATOM 0 HH21 ARG A 12 -17.460 15.884 6.586 1.00 2.24 H new ATOM 0 HH22 ARG A 12 -18.861 16.394 7.534 1.00 2.24 H new ATOM 172 N VAL A 13 -11.977 9.775 8.437 1.00 4.51 N ATOM 173 CA VAL A 13 -11.601 9.258 7.151 1.00 5.31 C ATOM 174 C VAL A 13 -11.811 7.766 7.064 1.00 52.45 C ATOM 175 O VAL A 13 -11.520 7.026 8.007 1.00 52.04 O ATOM 176 CB VAL A 13 -10.120 9.657 6.797 1.00 54.02 C ATOM 177 CG1 VAL A 13 -9.130 9.178 7.855 1.00 3.25 C ATOM 178 CG2 VAL A 13 -9.712 9.178 5.403 1.00 71.10 C ATOM 0 H VAL A 13 -11.938 9.107 9.207 1.00 4.51 H new ATOM 0 HA VAL A 13 -12.256 9.713 6.408 1.00 5.31 H new ATOM 0 HB VAL A 13 -10.089 10.747 6.789 1.00 54.02 H new ATOM 0 HG11 VAL A 13 -8.121 9.475 7.570 1.00 3.25 H new ATOM 0 HG12 VAL A 13 -9.382 9.624 8.817 1.00 3.25 H new ATOM 0 HG13 VAL A 13 -9.180 8.092 7.935 1.00 3.25 H new ATOM 0 HG21 VAL A 13 -8.683 9.476 5.203 1.00 71.10 H new ATOM 0 HG22 VAL A 13 -9.791 8.092 5.354 1.00 71.10 H new ATOM 0 HG23 VAL A 13 -10.371 9.624 4.658 1.00 71.10 H new ATOM 188 N GLY A 14 -12.373 7.356 5.964 1.00 55.22 N ATOM 189 CA GLY A 14 -12.555 5.979 5.686 1.00 13.43 C ATOM 190 C GLY A 14 -11.447 5.496 4.799 1.00 34.35 C ATOM 191 O GLY A 14 -10.262 5.654 5.133 1.00 31.41 O ATOM 0 H GLY A 14 -12.717 7.981 5.235 1.00 55.22 H new ATOM 0 HA2 GLY A 14 -12.566 5.408 6.615 1.00 13.43 H new ATOM 0 HA3 GLY A 14 -13.518 5.819 5.202 1.00 13.43 H new ATOM 195 N SER A 15 -11.797 4.943 3.675 1.00 72.00 N ATOM 196 CA SER A 15 -10.813 4.452 2.768 1.00 43.52 C ATOM 197 C SER A 15 -10.269 5.597 1.922 1.00 3.15 C ATOM 198 O SER A 15 -11.009 6.535 1.561 1.00 0.44 O ATOM 199 CB SER A 15 -11.397 3.323 1.904 1.00 34.24 C ATOM 200 OG SER A 15 -12.578 3.741 1.226 1.00 52.51 O ATOM 0 H SER A 15 -12.762 4.822 3.367 1.00 72.00 H new ATOM 0 HA SER A 15 -9.980 4.030 3.330 1.00 43.52 H new ATOM 0 HB2 SER A 15 -10.653 2.999 1.176 1.00 34.24 H new ATOM 0 HB3 SER A 15 -11.623 2.462 2.533 1.00 34.24 H new ATOM 0 HG SER A 15 -12.923 3.001 0.684 1.00 52.51 H new ATOM 206 N ILE A 16 -8.997 5.558 1.668 1.00 62.32 N ATOM 207 CA ILE A 16 -8.346 6.551 0.864 1.00 52.03 C ATOM 208 C ILE A 16 -8.542 6.160 -0.601 1.00 0.43 C ATOM 209 O ILE A 16 -8.370 4.982 -0.946 1.00 73.51 O ATOM 210 CB ILE A 16 -6.797 6.678 1.207 1.00 63.20 C ATOM 211 CG1 ILE A 16 -6.539 7.228 2.642 1.00 14.22 C ATOM 212 CG2 ILE A 16 -6.052 7.539 0.189 1.00 0.53 C ATOM 213 CD1 ILE A 16 -6.920 6.303 3.788 1.00 3.22 C ATOM 0 H ILE A 16 -8.374 4.829 2.016 1.00 62.32 H new ATOM 0 HA ILE A 16 -8.786 7.527 1.069 1.00 52.03 H new ATOM 0 HB ILE A 16 -6.408 5.661 1.160 1.00 63.20 H new ATOM 0 HG12 ILE A 16 -5.480 7.469 2.732 1.00 14.22 H new ATOM 0 HG13 ILE A 16 -7.089 8.162 2.756 1.00 14.22 H new ATOM 0 HG21 ILE A 16 -4.999 7.598 0.463 1.00 0.53 H new ATOM 0 HG22 ILE A 16 -6.145 7.094 -0.801 1.00 0.53 H new ATOM 0 HG23 ILE A 16 -6.480 8.541 0.178 1.00 0.53 H new ATOM 0 HD11 ILE A 16 -6.697 6.789 4.738 1.00 3.22 H new ATOM 0 HD12 ILE A 16 -7.986 6.080 3.736 1.00 3.22 H new ATOM 0 HD13 ILE A 16 -6.351 5.376 3.712 1.00 3.22 H new ATOM 225 N PRO A 17 -8.975 7.106 -1.461 1.00 43.51 N ATOM 226 CA PRO A 17 -9.146 6.840 -2.889 1.00 55.35 C ATOM 227 C PRO A 17 -7.826 6.420 -3.518 1.00 52.11 C ATOM 228 O PRO A 17 -6.770 6.951 -3.169 1.00 64.30 O ATOM 229 CB PRO A 17 -9.613 8.189 -3.465 1.00 4.32 C ATOM 230 CG PRO A 17 -9.234 9.197 -2.435 1.00 43.12 C ATOM 231 CD PRO A 17 -9.327 8.491 -1.118 1.00 22.23 C ATOM 0 HA PRO A 17 -9.850 6.031 -3.084 1.00 55.35 H new ATOM 0 HB2 PRO A 17 -9.131 8.399 -4.420 1.00 4.32 H new ATOM 0 HB3 PRO A 17 -10.688 8.191 -3.643 1.00 4.32 H new ATOM 0 HG2 PRO A 17 -8.225 9.571 -2.607 1.00 43.12 H new ATOM 0 HG3 PRO A 17 -9.903 10.057 -2.465 1.00 43.12 H new ATOM 0 HD2 PRO A 17 -8.640 8.912 -0.385 1.00 22.23 H new ATOM 0 HD3 PRO A 17 -10.328 8.560 -0.693 1.00 22.23 H new ATOM 239 N ALA A 18 -7.889 5.512 -4.440 1.00 64.41 N ATOM 240 CA ALA A 18 -6.708 4.969 -5.044 1.00 74.01 C ATOM 241 C ALA A 18 -6.225 5.880 -6.152 1.00 1.45 C ATOM 242 O ALA A 18 -6.976 6.205 -7.080 1.00 45.40 O ATOM 243 CB ALA A 18 -7.014 3.589 -5.586 1.00 25.34 C ATOM 0 H ALA A 18 -8.762 5.124 -4.798 1.00 64.41 H new ATOM 0 HA ALA A 18 -5.918 4.892 -4.297 1.00 74.01 H new ATOM 0 HB1 ALA A 18 -6.118 3.172 -6.046 1.00 25.34 H new ATOM 0 HB2 ALA A 18 -7.338 2.942 -4.771 1.00 25.34 H new ATOM 0 HB3 ALA A 18 -7.806 3.658 -6.331 1.00 25.34 H new ATOM 249 N GLY A 19 -4.987 6.293 -6.049 1.00 64.42 N ATOM 250 CA GLY A 19 -4.414 7.178 -7.019 1.00 73.31 C ATOM 251 C GLY A 19 -3.665 6.425 -8.082 1.00 33.02 C ATOM 252 O GLY A 19 -4.215 6.122 -9.151 1.00 42.02 O ATOM 0 H GLY A 19 -4.355 6.025 -5.294 1.00 64.42 H new ATOM 0 HA2 GLY A 19 -5.203 7.772 -7.481 1.00 73.31 H new ATOM 0 HA3 GLY A 19 -3.739 7.875 -6.522 1.00 73.31 H new ATOM 256 N ASP A 20 -2.432 6.118 -7.814 1.00 23.22 N ATOM 257 CA ASP A 20 -1.596 5.389 -8.747 1.00 51.41 C ATOM 258 C ASP A 20 -0.793 4.346 -8.023 1.00 75.43 C ATOM 259 O ASP A 20 -0.476 4.499 -6.847 1.00 52.14 O ATOM 260 CB ASP A 20 -0.652 6.321 -9.541 1.00 14.21 C ATOM 261 CG ASP A 20 -1.351 7.140 -10.615 1.00 11.22 C ATOM 262 OD1 ASP A 20 -1.457 6.669 -11.774 1.00 74.45 O ATOM 263 OD2 ASP A 20 -1.807 8.267 -10.344 1.00 45.54 O ATOM 0 H ASP A 20 -1.966 6.363 -6.940 1.00 23.22 H new ATOM 0 HA ASP A 20 -2.261 4.907 -9.464 1.00 51.41 H new ATOM 0 HB2 ASP A 20 -0.158 6.999 -8.845 1.00 14.21 H new ATOM 0 HB3 ASP A 20 0.128 5.719 -10.007 1.00 14.21 H new ATOM 268 N ASP A 21 -0.496 3.284 -8.707 1.00 54.04 N ATOM 269 CA ASP A 21 0.298 2.204 -8.163 1.00 72.34 C ATOM 270 C ASP A 21 1.778 2.518 -8.381 1.00 62.32 C ATOM 271 O ASP A 21 2.128 3.378 -9.206 1.00 55.31 O ATOM 272 CB ASP A 21 -0.060 0.890 -8.861 1.00 43.24 C ATOM 273 CG ASP A 21 0.356 0.880 -10.317 1.00 61.54 C ATOM 274 OD1 ASP A 21 -0.262 1.592 -11.145 1.00 1.31 O ATOM 275 OD2 ASP A 21 1.316 0.199 -10.646 1.00 44.45 O ATOM 0 H ASP A 21 -0.797 3.133 -9.670 1.00 54.04 H new ATOM 0 HA ASP A 21 0.095 2.102 -7.097 1.00 72.34 H new ATOM 0 HB2 ASP A 21 0.423 0.062 -8.342 1.00 43.24 H new ATOM 0 HB3 ASP A 21 -1.135 0.726 -8.792 1.00 43.24 H new ATOM 280 N VAL A 22 2.644 1.854 -7.649 1.00 21.52 N ATOM 281 CA VAL A 22 4.077 2.099 -7.767 1.00 12.34 C ATOM 282 C VAL A 22 4.802 0.782 -8.165 1.00 51.44 C ATOM 283 O VAL A 22 6.032 0.650 -8.145 1.00 41.41 O ATOM 284 CB VAL A 22 4.645 2.691 -6.434 1.00 4.02 C ATOM 285 CG1 VAL A 22 6.089 3.110 -6.597 1.00 72.22 C ATOM 286 CG2 VAL A 22 3.811 3.884 -5.976 1.00 2.41 C ATOM 0 H VAL A 22 2.389 1.141 -6.966 1.00 21.52 H new ATOM 0 HA VAL A 22 4.255 2.836 -8.550 1.00 12.34 H new ATOM 0 HB VAL A 22 4.593 1.909 -5.677 1.00 4.02 H new ATOM 0 HG11 VAL A 22 6.458 3.518 -5.656 1.00 72.22 H new ATOM 0 HG12 VAL A 22 6.689 2.245 -6.878 1.00 72.22 H new ATOM 0 HG13 VAL A 22 6.162 3.870 -7.375 1.00 72.22 H new ATOM 0 HG21 VAL A 22 4.222 4.281 -5.048 1.00 2.41 H new ATOM 0 HG22 VAL A 22 3.832 4.659 -6.743 1.00 2.41 H new ATOM 0 HG23 VAL A 22 2.782 3.566 -5.810 1.00 2.41 H new ATOM 296 N LEU A 23 4.034 -0.164 -8.580 1.00 20.02 N ATOM 297 CA LEU A 23 4.565 -1.437 -9.005 1.00 44.45 C ATOM 298 C LEU A 23 4.399 -1.614 -10.503 1.00 15.11 C ATOM 299 O LEU A 23 4.071 -0.664 -11.213 1.00 1.11 O ATOM 300 CB LEU A 23 3.991 -2.638 -8.175 1.00 4.02 C ATOM 301 CG LEU A 23 2.476 -2.678 -7.824 1.00 72.01 C ATOM 302 CD1 LEU A 23 1.585 -2.647 -9.056 1.00 63.20 C ATOM 303 CD2 LEU A 23 2.171 -3.930 -7.020 1.00 24.13 C ATOM 0 H LEU A 23 3.018 -0.089 -8.639 1.00 20.02 H new ATOM 0 HA LEU A 23 5.635 -1.437 -8.797 1.00 44.45 H new ATOM 0 HB2 LEU A 23 4.223 -3.552 -8.722 1.00 4.02 H new ATOM 0 HB3 LEU A 23 4.544 -2.679 -7.237 1.00 4.02 H new ATOM 0 HG LEU A 23 2.261 -1.782 -7.241 1.00 72.01 H new ATOM 0 HD11 LEU A 23 0.539 -2.677 -8.750 1.00 63.20 H new ATOM 0 HD12 LEU A 23 1.772 -1.732 -9.618 1.00 63.20 H new ATOM 0 HD13 LEU A 23 1.804 -3.510 -9.685 1.00 63.20 H new ATOM 0 HD21 LEU A 23 1.109 -3.956 -6.775 1.00 24.13 H new ATOM 0 HD22 LEU A 23 2.430 -4.811 -7.607 1.00 24.13 H new ATOM 0 HD23 LEU A 23 2.755 -3.923 -6.100 1.00 24.13 H new ATOM 315 N ASP A 24 4.696 -2.774 -10.989 1.00 74.22 N ATOM 316 CA ASP A 24 4.456 -3.075 -12.371 1.00 43.01 C ATOM 317 C ASP A 24 3.176 -3.870 -12.387 1.00 22.12 C ATOM 318 O ASP A 24 2.991 -4.703 -11.508 1.00 14.31 O ATOM 319 CB ASP A 24 5.612 -3.900 -12.956 1.00 53.10 C ATOM 320 CG ASP A 24 5.454 -4.187 -14.437 1.00 53.54 C ATOM 321 OD1 ASP A 24 4.796 -5.191 -14.802 1.00 61.41 O ATOM 322 OD2 ASP A 24 5.998 -3.422 -15.264 1.00 52.44 O ATOM 0 H ASP A 24 5.108 -3.536 -10.450 1.00 74.22 H new ATOM 0 HA ASP A 24 4.381 -2.171 -12.976 1.00 43.01 H new ATOM 0 HB2 ASP A 24 6.549 -3.366 -12.794 1.00 53.10 H new ATOM 0 HB3 ASP A 24 5.686 -4.844 -12.416 1.00 53.10 H new ATOM 327 N PRO A 25 2.255 -3.626 -13.326 1.00 21.35 N ATOM 328 CA PRO A 25 0.953 -4.317 -13.362 1.00 32.44 C ATOM 329 C PRO A 25 1.047 -5.855 -13.359 1.00 41.33 C ATOM 330 O PRO A 25 0.089 -6.531 -12.978 1.00 50.50 O ATOM 331 CB PRO A 25 0.309 -3.816 -14.648 1.00 10.44 C ATOM 332 CG PRO A 25 0.951 -2.494 -14.887 1.00 43.53 C ATOM 333 CD PRO A 25 2.366 -2.639 -14.418 1.00 34.14 C ATOM 0 HA PRO A 25 0.379 -4.096 -12.462 1.00 32.44 H new ATOM 0 HB2 PRO A 25 0.488 -4.501 -15.476 1.00 10.44 H new ATOM 0 HB3 PRO A 25 -0.772 -3.721 -14.541 1.00 10.44 H new ATOM 0 HG2 PRO A 25 0.914 -2.226 -15.943 1.00 43.53 H new ATOM 0 HG3 PRO A 25 0.436 -1.704 -14.340 1.00 43.53 H new ATOM 0 HD2 PRO A 25 3.021 -2.991 -15.215 1.00 34.14 H new ATOM 0 HD3 PRO A 25 2.773 -1.691 -14.066 1.00 34.14 H new ATOM 341 N ASP A 26 2.197 -6.398 -13.764 1.00 34.20 N ATOM 342 CA ASP A 26 2.396 -7.853 -13.789 1.00 22.55 C ATOM 343 C ASP A 26 2.693 -8.418 -12.395 1.00 23.21 C ATOM 344 O ASP A 26 2.581 -9.626 -12.168 1.00 70.13 O ATOM 345 CB ASP A 26 3.500 -8.255 -14.789 1.00 65.12 C ATOM 346 CG ASP A 26 3.815 -9.747 -14.764 1.00 21.53 C ATOM 347 OD1 ASP A 26 2.912 -10.571 -15.021 1.00 15.43 O ATOM 348 OD2 ASP A 26 4.975 -10.122 -14.490 1.00 41.45 O ATOM 0 H ASP A 26 3.003 -5.857 -14.078 1.00 34.20 H new ATOM 0 HA ASP A 26 1.457 -8.292 -14.126 1.00 22.55 H new ATOM 0 HB2 ASP A 26 3.191 -7.972 -15.795 1.00 65.12 H new ATOM 0 HB3 ASP A 26 4.407 -7.694 -14.564 1.00 65.12 H new ATOM 353 N GLU A 27 3.052 -7.557 -11.457 1.00 24.24 N ATOM 354 CA GLU A 27 3.347 -8.005 -10.103 1.00 62.43 C ATOM 355 C GLU A 27 2.109 -8.644 -9.474 1.00 4.54 C ATOM 356 O GLU A 27 0.971 -8.196 -9.735 1.00 63.30 O ATOM 357 CB GLU A 27 3.846 -6.856 -9.219 1.00 23.33 C ATOM 358 CG GLU A 27 5.157 -6.239 -9.676 1.00 42.24 C ATOM 359 CD GLU A 27 6.249 -7.264 -9.841 1.00 41.44 C ATOM 360 OE1 GLU A 27 6.767 -7.780 -8.832 1.00 75.50 O ATOM 361 OE2 GLU A 27 6.613 -7.574 -10.985 1.00 60.21 O ATOM 0 H GLU A 27 3.146 -6.552 -11.604 1.00 24.24 H new ATOM 0 HA GLU A 27 4.144 -8.746 -10.171 1.00 62.43 H new ATOM 0 HB2 GLU A 27 3.083 -6.078 -9.189 1.00 23.33 H new ATOM 0 HB3 GLU A 27 3.967 -7.223 -8.200 1.00 23.33 H new ATOM 0 HG2 GLU A 27 5.001 -5.723 -10.623 1.00 42.24 H new ATOM 0 HG3 GLU A 27 5.474 -5.488 -8.952 1.00 42.24 H new ATOM 368 N PRO A 28 2.294 -9.727 -8.692 1.00 14.52 N ATOM 369 CA PRO A 28 1.199 -10.420 -8.033 1.00 71.45 C ATOM 370 C PRO A 28 0.370 -9.458 -7.187 1.00 20.32 C ATOM 371 O PRO A 28 0.865 -8.807 -6.249 1.00 73.50 O ATOM 372 CB PRO A 28 1.890 -11.484 -7.162 1.00 32.11 C ATOM 373 CG PRO A 28 3.319 -11.062 -7.103 1.00 4.01 C ATOM 374 CD PRO A 28 3.587 -10.355 -8.392 1.00 64.01 C ATOM 0 HA PRO A 28 0.499 -10.862 -8.742 1.00 71.45 H new ATOM 0 HB2 PRO A 28 1.449 -11.527 -6.166 1.00 32.11 H new ATOM 0 HB3 PRO A 28 1.789 -12.478 -7.598 1.00 32.11 H new ATOM 0 HG2 PRO A 28 3.498 -10.405 -6.252 1.00 4.01 H new ATOM 0 HG3 PRO A 28 3.977 -11.923 -6.985 1.00 4.01 H new ATOM 0 HD2 PRO A 28 4.382 -9.616 -8.291 1.00 64.01 H new ATOM 0 HD3 PRO A 28 3.893 -11.047 -9.177 1.00 64.01 H new ATOM 382 N THR A 29 -0.854 -9.329 -7.543 1.00 3.30 N ATOM 383 CA THR A 29 -1.722 -8.421 -6.903 1.00 32.21 C ATOM 384 C THR A 29 -3.060 -9.067 -6.571 1.00 32.23 C ATOM 385 O THR A 29 -3.399 -10.146 -7.066 1.00 15.44 O ATOM 386 CB THR A 29 -1.904 -7.151 -7.767 1.00 60.14 C ATOM 387 OG1 THR A 29 -1.651 -7.450 -9.154 1.00 12.53 O ATOM 388 CG2 THR A 29 -0.990 -6.023 -7.317 1.00 44.50 C ATOM 0 H THR A 29 -1.285 -9.861 -8.299 1.00 3.30 H new ATOM 0 HA THR A 29 -1.268 -8.126 -5.957 1.00 32.21 H new ATOM 0 HB THR A 29 -2.935 -6.821 -7.643 1.00 60.14 H new ATOM 0 HG1 THR A 29 -0.695 -7.622 -9.282 1.00 12.53 H new ATOM 0 HG21 THR A 29 -1.150 -5.150 -7.950 1.00 44.50 H new ATOM 0 HG22 THR A 29 -1.212 -5.766 -6.281 1.00 44.50 H new ATOM 0 HG23 THR A 29 0.049 -6.343 -7.396 1.00 44.50 H new ATOM 396 N TYR A 30 -3.749 -8.444 -5.688 1.00 71.32 N ATOM 397 CA TYR A 30 -5.035 -8.839 -5.250 1.00 0.45 C ATOM 398 C TYR A 30 -6.037 -7.818 -5.692 1.00 4.51 C ATOM 399 O TYR A 30 -5.690 -6.673 -5.931 1.00 50.30 O ATOM 400 CB TYR A 30 -5.071 -8.992 -3.730 1.00 23.45 C ATOM 401 CG TYR A 30 -4.300 -10.177 -3.237 1.00 41.34 C ATOM 402 CD1 TYR A 30 -4.774 -11.443 -3.476 1.00 23.11 C ATOM 403 CD2 TYR A 30 -3.113 -10.042 -2.538 1.00 61.22 C ATOM 404 CE1 TYR A 30 -4.104 -12.550 -3.049 1.00 71.33 C ATOM 405 CE2 TYR A 30 -2.426 -11.153 -2.095 1.00 73.30 C ATOM 406 CZ TYR A 30 -2.927 -12.408 -2.353 1.00 52.44 C ATOM 407 OH TYR A 30 -2.243 -13.527 -1.933 1.00 54.11 O ATOM 0 H TYR A 30 -3.412 -7.599 -5.227 1.00 71.32 H new ATOM 0 HA TYR A 30 -5.278 -9.807 -5.688 1.00 0.45 H new ATOM 0 HB2 TYR A 30 -4.669 -8.089 -3.271 1.00 23.45 H new ATOM 0 HB3 TYR A 30 -6.108 -9.080 -3.405 1.00 23.45 H new ATOM 0 HD1 TYR A 30 -5.701 -11.565 -4.016 1.00 23.11 H new ATOM 0 HD2 TYR A 30 -2.720 -9.056 -2.337 1.00 61.22 H new ATOM 0 HE1 TYR A 30 -4.496 -13.535 -3.256 1.00 71.33 H new ATOM 0 HE2 TYR A 30 -1.501 -11.038 -1.549 1.00 73.30 H new ATOM 0 HH TYR A 30 -1.335 -13.512 -2.300 1.00 54.11 H new ATOM 417 N ASP A 31 -7.256 -8.215 -5.728 1.00 25.20 N ATOM 418 CA ASP A 31 -8.372 -7.407 -6.181 1.00 43.03 C ATOM 419 C ASP A 31 -9.444 -7.621 -5.161 1.00 64.31 C ATOM 420 O ASP A 31 -9.310 -8.531 -4.342 1.00 51.34 O ATOM 421 CB ASP A 31 -8.928 -7.915 -7.537 1.00 5.33 C ATOM 422 CG ASP A 31 -7.997 -7.796 -8.725 1.00 71.55 C ATOM 423 OD1 ASP A 31 -7.112 -8.652 -8.895 1.00 13.24 O ATOM 424 OD2 ASP A 31 -8.190 -6.887 -9.558 1.00 14.32 O ATOM 0 H ASP A 31 -7.535 -9.151 -5.433 1.00 25.20 H new ATOM 0 HA ASP A 31 -8.063 -6.369 -6.303 1.00 43.03 H new ATOM 0 HB2 ASP A 31 -9.206 -8.963 -7.423 1.00 5.33 H new ATOM 0 HB3 ASP A 31 -9.842 -7.365 -7.761 1.00 5.33 H new ATOM 429 N LEU A 32 -10.502 -6.838 -5.201 1.00 44.13 N ATOM 430 CA LEU A 32 -11.571 -6.935 -4.198 1.00 74.33 C ATOM 431 C LEU A 32 -12.168 -8.362 -4.066 1.00 72.03 C ATOM 432 O LEU A 32 -12.146 -8.931 -2.966 1.00 42.13 O ATOM 433 CB LEU A 32 -12.662 -5.864 -4.377 1.00 61.13 C ATOM 434 CG LEU A 32 -12.263 -4.406 -4.067 1.00 35.03 C ATOM 435 CD1 LEU A 32 -11.634 -4.270 -2.686 1.00 4.24 C ATOM 436 CD2 LEU A 32 -11.377 -3.788 -5.146 1.00 61.23 C ATOM 0 H LEU A 32 -10.655 -6.124 -5.913 1.00 44.13 H new ATOM 0 HA LEU A 32 -11.083 -6.725 -3.246 1.00 74.33 H new ATOM 0 HB2 LEU A 32 -13.015 -5.908 -5.407 1.00 61.13 H new ATOM 0 HB3 LEU A 32 -13.505 -6.128 -3.739 1.00 61.13 H new ATOM 0 HG LEU A 32 -13.192 -3.836 -4.066 1.00 35.03 H new ATOM 0 HD11 LEU A 32 -11.368 -3.228 -2.508 1.00 4.24 H new ATOM 0 HD12 LEU A 32 -12.346 -4.597 -1.928 1.00 4.24 H new ATOM 0 HD13 LEU A 32 -10.737 -4.888 -2.632 1.00 4.24 H new ATOM 0 HD21 LEU A 32 -11.130 -2.763 -4.871 1.00 61.23 H new ATOM 0 HD22 LEU A 32 -10.460 -4.369 -5.240 1.00 61.23 H new ATOM 0 HD23 LEU A 32 -11.908 -3.790 -6.098 1.00 61.23 H new ATOM 448 N PRO A 33 -12.675 -8.987 -5.173 1.00 20.20 N ATOM 449 CA PRO A 33 -13.186 -10.360 -5.121 1.00 23.41 C ATOM 450 C PRO A 33 -12.100 -11.376 -4.708 1.00 4.42 C ATOM 451 O PRO A 33 -12.390 -12.371 -4.040 1.00 23.31 O ATOM 452 CB PRO A 33 -13.668 -10.635 -6.560 1.00 20.43 C ATOM 453 CG PRO A 33 -13.029 -9.589 -7.402 1.00 31.03 C ATOM 454 CD PRO A 33 -12.846 -8.400 -6.521 1.00 73.51 C ATOM 0 HA PRO A 33 -13.973 -10.466 -4.375 1.00 23.41 H new ATOM 0 HB2 PRO A 33 -13.377 -11.633 -6.887 1.00 20.43 H new ATOM 0 HB3 PRO A 33 -14.755 -10.582 -6.626 1.00 20.43 H new ATOM 0 HG2 PRO A 33 -12.072 -9.935 -7.793 1.00 31.03 H new ATOM 0 HG3 PRO A 33 -13.654 -9.345 -8.261 1.00 31.03 H new ATOM 0 HD2 PRO A 33 -11.976 -7.813 -6.816 1.00 73.51 H new ATOM 0 HD3 PRO A 33 -13.708 -7.735 -6.562 1.00 73.51 H new ATOM 462 N ARG A 34 -10.866 -11.107 -5.093 1.00 51.41 N ATOM 463 CA ARG A 34 -9.738 -11.964 -4.783 1.00 13.04 C ATOM 464 C ARG A 34 -9.432 -11.934 -3.282 1.00 51.32 C ATOM 465 O ARG A 34 -9.129 -12.955 -2.691 1.00 10.42 O ATOM 466 CB ARG A 34 -8.532 -11.472 -5.540 1.00 12.24 C ATOM 467 CG ARG A 34 -7.372 -12.424 -5.618 1.00 35.33 C ATOM 468 CD ARG A 34 -7.715 -13.643 -6.429 1.00 62.40 C ATOM 469 NE ARG A 34 -6.517 -14.431 -6.714 1.00 42.52 N ATOM 470 CZ ARG A 34 -6.484 -15.744 -6.912 1.00 31.52 C ATOM 471 NH1 ARG A 34 -7.592 -16.462 -6.828 1.00 74.15 N ATOM 472 NH2 ARG A 34 -5.330 -16.337 -7.175 1.00 21.01 N ATOM 0 H ARG A 34 -10.617 -10.279 -5.635 1.00 51.41 H new ATOM 0 HA ARG A 34 -9.981 -12.987 -5.071 1.00 13.04 H new ATOM 0 HB2 ARG A 34 -8.841 -11.223 -6.555 1.00 12.24 H new ATOM 0 HB3 ARG A 34 -8.188 -10.548 -5.076 1.00 12.24 H new ATOM 0 HG2 ARG A 34 -6.514 -11.919 -6.063 1.00 35.33 H new ATOM 0 HG3 ARG A 34 -7.078 -12.725 -4.612 1.00 35.33 H new ATOM 0 HD2 ARG A 34 -8.437 -14.254 -5.888 1.00 62.40 H new ATOM 0 HD3 ARG A 34 -8.189 -13.342 -7.363 1.00 62.40 H new ATOM 0 HE ARG A 34 -5.630 -13.929 -6.765 1.00 42.52 H new ATOM 0 HH11 ARG A 34 -8.479 -16.008 -6.610 1.00 74.15 H new ATOM 0 HH12 ARG A 34 -7.559 -17.470 -6.981 1.00 74.15 H new ATOM 0 HH21 ARG A 34 -4.473 -15.786 -7.225 1.00 21.01 H new ATOM 0 HH22 ARG A 34 -5.298 -17.345 -7.328 1.00 21.01 H new ATOM 486 N VAL A 35 -9.506 -10.760 -2.674 1.00 11.21 N ATOM 487 CA VAL A 35 -9.249 -10.638 -1.240 1.00 42.32 C ATOM 488 C VAL A 35 -10.370 -11.313 -0.464 1.00 3.24 C ATOM 489 O VAL A 35 -10.130 -11.996 0.545 1.00 14.32 O ATOM 490 CB VAL A 35 -9.067 -9.155 -0.772 1.00 53.34 C ATOM 491 CG1 VAL A 35 -8.821 -9.073 0.728 1.00 22.15 C ATOM 492 CG2 VAL A 35 -7.920 -8.492 -1.510 1.00 74.11 C ATOM 0 H VAL A 35 -9.739 -9.884 -3.142 1.00 11.21 H new ATOM 0 HA VAL A 35 -8.302 -11.137 -1.036 1.00 42.32 H new ATOM 0 HB VAL A 35 -9.993 -8.628 -1.003 1.00 53.34 H new ATOM 0 HG11 VAL A 35 -8.699 -8.030 1.020 1.00 22.15 H new ATOM 0 HG12 VAL A 35 -9.670 -9.502 1.260 1.00 22.15 H new ATOM 0 HG13 VAL A 35 -7.917 -9.628 0.979 1.00 22.15 H new ATOM 0 HG21 VAL A 35 -7.814 -7.463 -1.168 1.00 74.11 H new ATOM 0 HG22 VAL A 35 -6.997 -9.037 -1.313 1.00 74.11 H new ATOM 0 HG23 VAL A 35 -8.124 -8.499 -2.581 1.00 74.11 H new ATOM 502 N ALA A 36 -11.581 -11.166 -0.976 1.00 73.04 N ATOM 503 CA ALA A 36 -12.740 -11.806 -0.398 1.00 61.14 C ATOM 504 C ALA A 36 -12.569 -13.325 -0.451 1.00 33.53 C ATOM 505 O ALA A 36 -12.912 -14.039 0.496 1.00 2.35 O ATOM 506 CB ALA A 36 -14.002 -11.382 -1.142 1.00 21.20 C ATOM 0 H ALA A 36 -11.783 -10.601 -1.801 1.00 73.04 H new ATOM 0 HA ALA A 36 -12.838 -11.499 0.643 1.00 61.14 H new ATOM 0 HB1 ALA A 36 -14.868 -11.871 -0.697 1.00 21.20 H new ATOM 0 HB2 ALA A 36 -14.120 -10.301 -1.072 1.00 21.20 H new ATOM 0 HB3 ALA A 36 -13.921 -11.671 -2.190 1.00 21.20 H new ATOM 512 N GLU A 37 -11.982 -13.790 -1.549 1.00 21.40 N ATOM 513 CA GLU A 37 -11.717 -15.198 -1.783 1.00 65.44 C ATOM 514 C GLU A 37 -10.656 -15.693 -0.788 1.00 65.22 C ATOM 515 O GLU A 37 -10.846 -16.709 -0.108 1.00 23.41 O ATOM 516 CB GLU A 37 -11.129 -15.342 -3.189 1.00 42.33 C ATOM 517 CG GLU A 37 -11.087 -16.761 -3.726 1.00 42.14 C ATOM 518 CD GLU A 37 -10.194 -16.900 -4.941 1.00 24.51 C ATOM 519 OE1 GLU A 37 -10.363 -16.156 -5.936 1.00 1.23 O ATOM 520 OE2 GLU A 37 -9.305 -17.777 -4.932 1.00 35.31 O ATOM 0 H GLU A 37 -11.674 -13.186 -2.311 1.00 21.40 H new ATOM 0 HA GLU A 37 -12.638 -15.770 -1.670 1.00 65.44 H new ATOM 0 HB2 GLU A 37 -11.712 -14.727 -3.875 1.00 42.33 H new ATOM 0 HB3 GLU A 37 -10.115 -14.941 -3.185 1.00 42.33 H new ATOM 0 HG2 GLU A 37 -10.734 -17.431 -2.942 1.00 42.14 H new ATOM 0 HG3 GLU A 37 -12.098 -17.077 -3.985 1.00 42.14 H new ATOM 527 N LEU A 38 -9.595 -14.907 -0.661 1.00 64.32 N ATOM 528 CA LEU A 38 -8.432 -15.241 0.148 1.00 54.15 C ATOM 529 C LEU A 38 -8.755 -15.281 1.631 1.00 51.45 C ATOM 530 O LEU A 38 -8.448 -16.264 2.320 1.00 2.24 O ATOM 531 CB LEU A 38 -7.309 -14.226 -0.111 1.00 31.12 C ATOM 532 CG LEU A 38 -5.999 -14.446 0.654 1.00 51.13 C ATOM 533 CD1 LEU A 38 -5.316 -15.737 0.218 1.00 43.15 C ATOM 534 CD2 LEU A 38 -5.074 -13.256 0.481 1.00 23.23 C ATOM 0 H LEU A 38 -9.518 -14.003 -1.126 1.00 64.32 H new ATOM 0 HA LEU A 38 -8.108 -16.240 -0.144 1.00 54.15 H new ATOM 0 HB2 LEU A 38 -7.086 -14.229 -1.178 1.00 31.12 H new ATOM 0 HB3 LEU A 38 -7.684 -13.232 0.133 1.00 31.12 H new ATOM 0 HG LEU A 38 -6.238 -14.541 1.713 1.00 51.13 H new ATOM 0 HD11 LEU A 38 -4.390 -15.866 0.778 1.00 43.15 H new ATOM 0 HD12 LEU A 38 -5.977 -16.582 0.411 1.00 43.15 H new ATOM 0 HD13 LEU A 38 -5.092 -15.688 -0.848 1.00 43.15 H new ATOM 0 HD21 LEU A 38 -4.149 -13.431 1.031 1.00 23.23 H new ATOM 0 HD22 LEU A 38 -4.847 -13.122 -0.577 1.00 23.23 H new ATOM 0 HD23 LEU A 38 -5.560 -12.359 0.864 1.00 23.23 H new ATOM 546 N LEU A 39 -9.388 -14.241 2.122 1.00 1.10 N ATOM 547 CA LEU A 39 -9.679 -14.159 3.539 1.00 2.34 C ATOM 548 C LEU A 39 -10.939 -14.929 3.890 1.00 41.44 C ATOM 549 O LEU A 39 -11.145 -15.302 5.048 1.00 10.40 O ATOM 550 CB LEU A 39 -9.802 -12.699 3.986 1.00 15.20 C ATOM 551 CG LEU A 39 -8.566 -11.807 3.803 1.00 34.13 C ATOM 552 CD1 LEU A 39 -8.868 -10.390 4.260 1.00 73.21 C ATOM 553 CD2 LEU A 39 -7.378 -12.360 4.569 1.00 70.33 C ATOM 0 H LEU A 39 -9.710 -13.446 1.570 1.00 1.10 H new ATOM 0 HA LEU A 39 -8.846 -14.616 4.073 1.00 2.34 H new ATOM 0 HB2 LEU A 39 -10.630 -12.246 3.440 1.00 15.20 H new ATOM 0 HB3 LEU A 39 -10.073 -12.690 5.042 1.00 15.20 H new ATOM 0 HG LEU A 39 -8.312 -11.793 2.743 1.00 34.13 H new ATOM 0 HD11 LEU A 39 -7.983 -9.768 4.125 1.00 73.21 H new ATOM 0 HD12 LEU A 39 -9.690 -9.985 3.670 1.00 73.21 H new ATOM 0 HD13 LEU A 39 -9.148 -10.399 5.313 1.00 73.21 H new ATOM 0 HD21 LEU A 39 -6.516 -11.709 4.422 1.00 70.33 H new ATOM 0 HD22 LEU A 39 -7.620 -12.408 5.631 1.00 70.33 H new ATOM 0 HD23 LEU A 39 -7.144 -13.360 4.205 1.00 70.33 H new ATOM 565 N GLY A 40 -11.751 -15.205 2.890 1.00 53.01 N ATOM 566 CA GLY A 40 -12.992 -15.904 3.121 1.00 1.44 C ATOM 567 C GLY A 40 -14.012 -14.986 3.734 1.00 11.13 C ATOM 568 O GLY A 40 -14.883 -15.413 4.499 1.00 40.35 O ATOM 0 H GLY A 40 -11.573 -14.957 1.917 1.00 53.01 H new ATOM 0 HA2 GLY A 40 -13.372 -16.301 2.180 1.00 1.44 H new ATOM 0 HA3 GLY A 40 -12.819 -16.755 3.780 1.00 1.44 H new ATOM 572 N VAL A 41 -13.897 -13.722 3.400 1.00 72.55 N ATOM 573 CA VAL A 41 -14.763 -12.691 3.939 1.00 40.22 C ATOM 574 C VAL A 41 -15.495 -11.996 2.802 1.00 31.11 C ATOM 575 O VAL A 41 -15.089 -12.116 1.659 1.00 34.53 O ATOM 576 CB VAL A 41 -13.965 -11.634 4.781 1.00 41.11 C ATOM 577 CG1 VAL A 41 -13.222 -12.286 5.941 1.00 30.33 C ATOM 578 CG2 VAL A 41 -13.011 -10.823 3.904 1.00 1.23 C ATOM 0 H VAL A 41 -13.198 -13.375 2.744 1.00 72.55 H new ATOM 0 HA VAL A 41 -15.478 -13.172 4.607 1.00 40.22 H new ATOM 0 HB VAL A 41 -14.695 -10.943 5.203 1.00 41.11 H new ATOM 0 HG11 VAL A 41 -12.681 -11.523 6.501 1.00 30.33 H new ATOM 0 HG12 VAL A 41 -13.937 -12.781 6.599 1.00 30.33 H new ATOM 0 HG13 VAL A 41 -12.516 -13.021 5.554 1.00 30.33 H new ATOM 0 HG21 VAL A 41 -12.475 -10.101 4.520 1.00 1.23 H new ATOM 0 HG22 VAL A 41 -12.297 -11.494 3.427 1.00 1.23 H new ATOM 0 HG23 VAL A 41 -13.580 -10.295 3.139 1.00 1.23 H new ATOM 588 N PRO A 42 -16.619 -11.336 3.080 1.00 73.31 N ATOM 589 CA PRO A 42 -17.316 -10.540 2.077 1.00 41.42 C ATOM 590 C PRO A 42 -16.543 -9.253 1.740 1.00 14.54 C ATOM 591 O PRO A 42 -15.669 -8.798 2.519 1.00 74.25 O ATOM 592 CB PRO A 42 -18.648 -10.188 2.758 1.00 73.23 C ATOM 593 CG PRO A 42 -18.369 -10.286 4.210 1.00 52.13 C ATOM 594 CD PRO A 42 -17.347 -11.365 4.361 1.00 22.44 C ATOM 0 HA PRO A 42 -17.433 -11.076 1.135 1.00 41.42 H new ATOM 0 HB2 PRO A 42 -18.979 -9.186 2.486 1.00 73.23 H new ATOM 0 HB3 PRO A 42 -19.439 -10.877 2.460 1.00 73.23 H new ATOM 0 HG2 PRO A 42 -17.997 -9.339 4.601 1.00 52.13 H new ATOM 0 HG3 PRO A 42 -19.275 -10.526 4.766 1.00 52.13 H new ATOM 0 HD2 PRO A 42 -16.683 -11.173 5.204 1.00 22.44 H new ATOM 0 HD3 PRO A 42 -17.812 -12.335 4.536 1.00 22.44 H new ATOM 602 N VAL A 43 -16.897 -8.646 0.619 1.00 51.30 N ATOM 603 CA VAL A 43 -16.283 -7.404 0.146 1.00 30.43 C ATOM 604 C VAL A 43 -16.465 -6.287 1.187 1.00 32.50 C ATOM 605 O VAL A 43 -15.601 -5.422 1.347 1.00 52.04 O ATOM 606 CB VAL A 43 -16.855 -6.971 -1.237 1.00 3.31 C ATOM 607 CG1 VAL A 43 -16.186 -5.694 -1.750 1.00 54.20 C ATOM 608 CG2 VAL A 43 -16.688 -8.095 -2.253 1.00 22.04 C ATOM 0 H VAL A 43 -17.626 -9.001 0.001 1.00 51.30 H new ATOM 0 HA VAL A 43 -15.217 -7.588 0.014 1.00 30.43 H new ATOM 0 HB VAL A 43 -17.916 -6.761 -1.104 1.00 3.31 H new ATOM 0 HG11 VAL A 43 -16.611 -5.424 -2.717 1.00 54.20 H new ATOM 0 HG12 VAL A 43 -16.355 -4.884 -1.040 1.00 54.20 H new ATOM 0 HG13 VAL A 43 -15.115 -5.863 -1.859 1.00 54.20 H new ATOM 0 HG21 VAL A 43 -17.092 -7.779 -3.215 1.00 22.04 H new ATOM 0 HG22 VAL A 43 -15.630 -8.331 -2.364 1.00 22.04 H new ATOM 0 HG23 VAL A 43 -17.223 -8.980 -1.908 1.00 22.04 H new ATOM 618 N SER A 44 -17.584 -6.342 1.904 1.00 13.01 N ATOM 619 CA SER A 44 -17.888 -5.395 2.956 1.00 2.54 C ATOM 620 C SER A 44 -16.773 -5.397 4.019 1.00 1.13 C ATOM 621 O SER A 44 -16.318 -4.331 4.431 1.00 74.31 O ATOM 622 CB SER A 44 -19.255 -5.725 3.595 1.00 20.43 C ATOM 623 OG SER A 44 -19.630 -4.761 4.580 1.00 4.42 O ATOM 0 H SER A 44 -18.304 -7.051 1.766 1.00 13.01 H new ATOM 0 HA SER A 44 -17.944 -4.396 2.523 1.00 2.54 H new ATOM 0 HB2 SER A 44 -20.018 -5.766 2.818 1.00 20.43 H new ATOM 0 HB3 SER A 44 -19.213 -6.714 4.052 1.00 20.43 H new ATOM 0 HG SER A 44 -20.500 -5.003 4.960 1.00 4.42 H new ATOM 629 N LYS A 45 -16.286 -6.590 4.409 1.00 13.15 N ATOM 630 CA LYS A 45 -15.196 -6.687 5.381 1.00 11.14 C ATOM 631 C LYS A 45 -13.885 -6.189 4.806 1.00 63.23 C ATOM 632 O LYS A 45 -13.063 -5.625 5.524 1.00 31.15 O ATOM 633 CB LYS A 45 -15.045 -8.090 5.981 1.00 75.54 C ATOM 634 CG LYS A 45 -16.047 -8.405 7.082 1.00 1.51 C ATOM 635 CD LYS A 45 -15.794 -9.780 7.696 1.00 43.41 C ATOM 636 CE LYS A 45 -16.623 -10.005 8.964 1.00 53.14 C ATOM 637 NZ LYS A 45 -18.079 -9.847 8.735 1.00 42.31 N ATOM 0 H LYS A 45 -16.630 -7.487 4.067 1.00 13.15 H new ATOM 0 HA LYS A 45 -15.472 -6.030 6.205 1.00 11.14 H new ATOM 0 HB2 LYS A 45 -15.152 -8.827 5.185 1.00 75.54 H new ATOM 0 HB3 LYS A 45 -14.037 -8.196 6.381 1.00 75.54 H new ATOM 0 HG2 LYS A 45 -15.987 -7.643 7.859 1.00 1.51 H new ATOM 0 HG3 LYS A 45 -17.058 -8.368 6.676 1.00 1.51 H new ATOM 0 HD2 LYS A 45 -16.033 -10.553 6.965 1.00 43.41 H new ATOM 0 HD3 LYS A 45 -14.735 -9.882 7.933 1.00 43.41 H new ATOM 0 HE2 LYS A 45 -16.427 -11.006 9.348 1.00 53.14 H new ATOM 0 HE3 LYS A 45 -16.302 -9.301 9.732 1.00 53.14 H new ATOM 0 HZ1 LYS A 45 -18.597 -10.125 9.593 1.00 42.31 H new ATOM 0 HZ2 LYS A 45 -18.289 -8.854 8.510 1.00 42.31 H new ATOM 0 HZ3 LYS A 45 -18.373 -10.451 7.941 1.00 42.31 H new ATOM 651 N VAL A 46 -13.693 -6.383 3.513 1.00 72.24 N ATOM 652 CA VAL A 46 -12.503 -5.850 2.837 1.00 23.31 C ATOM 653 C VAL A 46 -12.535 -4.327 2.900 1.00 61.51 C ATOM 654 O VAL A 46 -11.542 -3.683 3.257 1.00 14.30 O ATOM 655 CB VAL A 46 -12.412 -6.323 1.358 1.00 54.33 C ATOM 656 CG1 VAL A 46 -11.149 -5.788 0.696 1.00 14.12 C ATOM 657 CG2 VAL A 46 -12.460 -7.845 1.270 1.00 61.55 C ATOM 0 H VAL A 46 -14.332 -6.898 2.908 1.00 72.24 H new ATOM 0 HA VAL A 46 -11.620 -6.229 3.351 1.00 23.31 H new ATOM 0 HB VAL A 46 -13.274 -5.924 0.823 1.00 54.33 H new ATOM 0 HG11 VAL A 46 -11.107 -6.131 -0.338 1.00 14.12 H new ATOM 0 HG12 VAL A 46 -11.161 -4.698 0.716 1.00 14.12 H new ATOM 0 HG13 VAL A 46 -10.274 -6.151 1.235 1.00 14.12 H new ATOM 0 HG21 VAL A 46 -12.395 -8.151 0.226 1.00 61.55 H new ATOM 0 HG22 VAL A 46 -11.623 -8.268 1.825 1.00 61.55 H new ATOM 0 HG23 VAL A 46 -13.397 -8.205 1.696 1.00 61.55 H new ATOM 667 N ALA A 47 -13.695 -3.772 2.610 1.00 71.44 N ATOM 668 CA ALA A 47 -13.920 -2.341 2.685 1.00 40.10 C ATOM 669 C ALA A 47 -13.702 -1.831 4.112 1.00 32.13 C ATOM 670 O ALA A 47 -13.195 -0.732 4.314 1.00 13.20 O ATOM 671 CB ALA A 47 -15.310 -1.992 2.182 1.00 72.22 C ATOM 0 H ALA A 47 -14.513 -4.304 2.314 1.00 71.44 H new ATOM 0 HA ALA A 47 -13.195 -1.844 2.040 1.00 40.10 H new ATOM 0 HB1 ALA A 47 -15.460 -0.914 2.246 1.00 72.22 H new ATOM 0 HB2 ALA A 47 -15.413 -2.312 1.145 1.00 72.22 H new ATOM 0 HB3 ALA A 47 -16.056 -2.499 2.794 1.00 72.22 H new ATOM 677 N GLN A 48 -14.084 -2.649 5.097 1.00 42.03 N ATOM 678 CA GLN A 48 -13.905 -2.314 6.508 1.00 54.31 C ATOM 679 C GLN A 48 -12.433 -2.143 6.854 1.00 2.54 C ATOM 680 O GLN A 48 -12.059 -1.202 7.550 1.00 35.13 O ATOM 681 CB GLN A 48 -14.510 -3.362 7.420 1.00 1.32 C ATOM 682 CG GLN A 48 -16.013 -3.461 7.342 1.00 43.43 C ATOM 683 CD GLN A 48 -16.571 -4.432 8.343 1.00 73.11 C ATOM 684 OE1 GLN A 48 -15.918 -5.403 8.725 1.00 12.35 O ATOM 685 NE2 GLN A 48 -17.768 -4.189 8.774 1.00 64.41 N ATOM 0 H GLN A 48 -14.523 -3.556 4.938 1.00 42.03 H new ATOM 0 HA GLN A 48 -14.425 -1.370 6.667 1.00 54.31 H new ATOM 0 HB2 GLN A 48 -14.081 -4.333 7.173 1.00 1.32 H new ATOM 0 HB3 GLN A 48 -14.225 -3.140 8.448 1.00 1.32 H new ATOM 0 HG2 GLN A 48 -16.449 -2.477 7.511 1.00 43.43 H new ATOM 0 HG3 GLN A 48 -16.303 -3.770 6.338 1.00 43.43 H new ATOM 0 HE21 GLN A 48 -18.277 -3.373 8.433 1.00 64.41 H new ATOM 0 HE22 GLN A 48 -18.202 -4.813 9.454 1.00 64.41 H new ATOM 694 N GLN A 49 -11.605 -3.050 6.350 1.00 42.24 N ATOM 695 CA GLN A 49 -10.156 -2.989 6.561 1.00 3.12 C ATOM 696 C GLN A 49 -9.625 -1.685 5.985 1.00 71.53 C ATOM 697 O GLN A 49 -8.945 -0.890 6.668 1.00 22.15 O ATOM 698 CB GLN A 49 -9.465 -4.154 5.833 1.00 43.42 C ATOM 699 CG GLN A 49 -9.909 -5.548 6.261 1.00 43.15 C ATOM 700 CD GLN A 49 -9.457 -5.944 7.655 1.00 63.44 C ATOM 701 OE1 GLN A 49 -9.286 -5.115 8.548 1.00 43.43 O ATOM 702 NE2 GLN A 49 -9.275 -7.218 7.853 1.00 21.11 N ATOM 0 H GLN A 49 -11.911 -3.844 5.788 1.00 42.24 H new ATOM 0 HA GLN A 49 -9.952 -3.051 7.630 1.00 3.12 H new ATOM 0 HB2 GLN A 49 -9.642 -4.047 4.763 1.00 43.42 H new ATOM 0 HB3 GLN A 49 -8.389 -4.070 5.988 1.00 43.42 H new ATOM 0 HG2 GLN A 49 -10.997 -5.601 6.215 1.00 43.15 H new ATOM 0 HG3 GLN A 49 -9.524 -6.275 5.546 1.00 43.15 H new ATOM 0 HE21 GLN A 49 -9.426 -7.879 7.091 1.00 21.11 H new ATOM 0 HE22 GLN A 49 -8.982 -7.555 8.770 1.00 21.11 H new ATOM 711 N LEU A 50 -10.023 -1.440 4.755 1.00 13.01 N ATOM 712 CA LEU A 50 -9.586 -0.303 3.982 1.00 62.40 C ATOM 713 C LEU A 50 -10.009 1.014 4.642 1.00 10.12 C ATOM 714 O LEU A 50 -9.222 1.954 4.730 1.00 74.40 O ATOM 715 CB LEU A 50 -10.173 -0.407 2.562 1.00 21.25 C ATOM 716 CG LEU A 50 -9.709 -1.594 1.697 1.00 21.50 C ATOM 717 CD1 LEU A 50 -10.446 -1.600 0.368 1.00 32.51 C ATOM 718 CD2 LEU A 50 -8.210 -1.549 1.458 1.00 14.02 C ATOM 0 H LEU A 50 -10.676 -2.043 4.255 1.00 13.01 H new ATOM 0 HA LEU A 50 -8.497 -0.307 3.932 1.00 62.40 H new ATOM 0 HB2 LEU A 50 -11.259 -0.454 2.647 1.00 21.25 H new ATOM 0 HB3 LEU A 50 -9.935 0.514 2.029 1.00 21.25 H new ATOM 0 HG LEU A 50 -9.940 -2.511 2.239 1.00 21.50 H new ATOM 0 HD11 LEU A 50 -10.107 -2.445 -0.232 1.00 32.51 H new ATOM 0 HD12 LEU A 50 -11.518 -1.688 0.547 1.00 32.51 H new ATOM 0 HD13 LEU A 50 -10.242 -0.671 -0.165 1.00 32.51 H new ATOM 0 HD21 LEU A 50 -7.914 -2.400 0.845 1.00 14.02 H new ATOM 0 HD22 LEU A 50 -7.951 -0.623 0.944 1.00 14.02 H new ATOM 0 HD23 LEU A 50 -7.688 -1.592 2.414 1.00 14.02 H new ATOM 730 N ARG A 51 -11.233 1.060 5.134 1.00 2.23 N ATOM 731 CA ARG A 51 -11.771 2.272 5.734 1.00 54.32 C ATOM 732 C ARG A 51 -11.139 2.604 7.084 1.00 61.51 C ATOM 733 O ARG A 51 -11.174 3.755 7.528 1.00 34.32 O ATOM 734 CB ARG A 51 -13.293 2.217 5.855 1.00 42.11 C ATOM 735 CG ARG A 51 -13.818 1.309 6.940 1.00 13.30 C ATOM 736 CD ARG A 51 -15.327 1.277 6.940 1.00 74.31 C ATOM 737 NE ARG A 51 -15.861 0.407 7.995 1.00 21.11 N ATOM 738 CZ ARG A 51 -17.159 0.143 8.184 1.00 33.43 C ATOM 739 NH1 ARG A 51 -18.085 0.691 7.386 1.00 63.45 N ATOM 740 NH2 ARG A 51 -17.525 -0.656 9.179 1.00 12.44 N ATOM 0 H ARG A 51 -11.878 0.270 5.131 1.00 2.23 H new ATOM 0 HA ARG A 51 -11.507 3.079 5.051 1.00 54.32 H new ATOM 0 HB2 ARG A 51 -13.664 3.226 6.036 1.00 42.11 H new ATOM 0 HB3 ARG A 51 -13.706 1.892 4.900 1.00 42.11 H new ATOM 0 HG2 ARG A 51 -13.430 0.301 6.794 1.00 13.30 H new ATOM 0 HG3 ARG A 51 -13.459 1.651 7.910 1.00 13.30 H new ATOM 0 HD2 ARG A 51 -15.711 2.288 7.076 1.00 74.31 H new ATOM 0 HD3 ARG A 51 -15.682 0.929 5.970 1.00 74.31 H new ATOM 0 HE ARG A 51 -15.193 -0.028 8.631 1.00 21.11 H new ATOM 0 HH11 ARG A 51 -17.802 1.313 6.629 1.00 63.45 H new ATOM 0 HH12 ARG A 51 -19.073 0.486 7.535 1.00 63.45 H new ATOM 0 HH21 ARG A 51 -16.819 -1.063 9.792 1.00 12.44 H new ATOM 0 HH22 ARG A 51 -18.512 -0.863 9.330 1.00 12.44 H new ATOM 754 N GLU A 52 -10.577 1.628 7.749 1.00 32.54 N ATOM 755 CA GLU A 52 -9.978 1.907 9.040 1.00 30.22 C ATOM 756 C GLU A 52 -8.478 2.001 8.941 1.00 73.24 C ATOM 757 O GLU A 52 -7.784 2.170 9.949 1.00 14.22 O ATOM 758 CB GLU A 52 -10.410 0.922 10.116 1.00 75.00 C ATOM 759 CG GLU A 52 -11.896 0.964 10.411 1.00 51.25 C ATOM 760 CD GLU A 52 -12.259 0.186 11.644 1.00 21.14 C ATOM 761 OE1 GLU A 52 -12.500 -1.024 11.550 1.00 42.35 O ATOM 762 OE2 GLU A 52 -12.328 0.784 12.735 1.00 34.42 O ATOM 0 H GLU A 52 -10.518 0.659 7.436 1.00 32.54 H new ATOM 0 HA GLU A 52 -10.353 2.882 9.352 1.00 30.22 H new ATOM 0 HB2 GLU A 52 -10.138 -0.087 9.805 1.00 75.00 H new ATOM 0 HB3 GLU A 52 -9.859 1.133 11.033 1.00 75.00 H new ATOM 0 HG2 GLU A 52 -12.210 2.001 10.534 1.00 51.25 H new ATOM 0 HG3 GLU A 52 -12.444 0.564 9.558 1.00 51.25 H new ATOM 769 N GLY A 53 -7.985 1.922 7.720 1.00 52.21 N ATOM 770 CA GLY A 53 -6.576 2.032 7.477 1.00 21.50 C ATOM 771 C GLY A 53 -5.817 0.828 7.969 1.00 34.34 C ATOM 772 O GLY A 53 -4.719 0.959 8.507 1.00 25.20 O ATOM 0 H GLY A 53 -8.550 1.781 6.883 1.00 52.21 H new ATOM 0 HA2 GLY A 53 -6.402 2.157 6.408 1.00 21.50 H new ATOM 0 HA3 GLY A 53 -6.193 2.926 7.969 1.00 21.50 H new ATOM 776 N HIS A 54 -6.413 -0.337 7.819 1.00 12.34 N ATOM 777 CA HIS A 54 -5.757 -1.577 8.193 1.00 44.02 C ATOM 778 C HIS A 54 -5.101 -2.188 6.969 1.00 60.03 C ATOM 779 O HIS A 54 -4.277 -3.085 7.066 1.00 3.33 O ATOM 780 CB HIS A 54 -6.742 -2.575 8.833 1.00 3.43 C ATOM 781 CG HIS A 54 -7.309 -2.129 10.155 1.00 14.30 C ATOM 782 ND1 HIS A 54 -8.648 -2.180 10.486 1.00 75.53 N ATOM 783 CD2 HIS A 54 -6.677 -1.656 11.254 1.00 62.43 C ATOM 784 CE1 HIS A 54 -8.778 -1.745 11.744 1.00 41.04 C ATOM 785 NE2 HIS A 54 -7.611 -1.416 12.255 1.00 74.33 N ATOM 0 H HIS A 54 -7.353 -0.453 7.440 1.00 12.34 H new ATOM 0 HA HIS A 54 -4.998 -1.351 8.942 1.00 44.02 H new ATOM 0 HB2 HIS A 54 -7.564 -2.750 8.139 1.00 3.43 H new ATOM 0 HB3 HIS A 54 -6.234 -3.529 8.973 1.00 3.43 H new ATOM 0 HD2 HIS A 54 -5.613 -1.491 11.340 1.00 62.43 H new ATOM 0 HE1 HIS A 54 -9.718 -1.673 12.271 1.00 41.04 H new ATOM 0 HE2 HIS A 54 -7.429 -1.058 13.193 1.00 74.33 H new ATOM 793 N LEU A 55 -5.479 -1.671 5.825 1.00 15.01 N ATOM 794 CA LEU A 55 -4.977 -2.093 4.549 1.00 72.15 C ATOM 795 C LEU A 55 -5.283 -0.959 3.593 1.00 51.24 C ATOM 796 O LEU A 55 -6.223 -0.198 3.850 1.00 33.34 O ATOM 797 CB LEU A 55 -5.707 -3.380 4.105 1.00 45.14 C ATOM 798 CG LEU A 55 -5.230 -4.042 2.808 1.00 21.53 C ATOM 799 CD1 LEU A 55 -3.794 -4.523 2.944 1.00 73.32 C ATOM 800 CD2 LEU A 55 -6.151 -5.195 2.436 1.00 74.33 C ATOM 0 H LEU A 55 -6.167 -0.921 5.759 1.00 15.01 H new ATOM 0 HA LEU A 55 -3.910 -2.312 4.579 1.00 72.15 H new ATOM 0 HB2 LEU A 55 -5.622 -4.111 4.909 1.00 45.14 H new ATOM 0 HB3 LEU A 55 -6.766 -3.147 3.996 1.00 45.14 H new ATOM 0 HG LEU A 55 -5.262 -3.301 2.010 1.00 21.53 H new ATOM 0 HD11 LEU A 55 -3.477 -4.990 2.011 1.00 73.32 H new ATOM 0 HD12 LEU A 55 -3.146 -3.675 3.165 1.00 73.32 H new ATOM 0 HD13 LEU A 55 -3.729 -5.250 3.754 1.00 73.32 H new ATOM 0 HD21 LEU A 55 -5.801 -5.657 1.513 1.00 74.33 H new ATOM 0 HD22 LEU A 55 -6.148 -5.935 3.236 1.00 74.33 H new ATOM 0 HD23 LEU A 55 -7.164 -4.820 2.293 1.00 74.33 H new ATOM 812 N VAL A 56 -4.510 -0.801 2.543 1.00 54.04 N ATOM 813 CA VAL A 56 -4.775 0.250 1.587 1.00 4.40 C ATOM 814 C VAL A 56 -4.689 -0.322 0.176 1.00 30.00 C ATOM 815 O VAL A 56 -3.974 -1.307 -0.057 1.00 70.21 O ATOM 816 CB VAL A 56 -3.814 1.473 1.777 1.00 2.10 C ATOM 817 CG1 VAL A 56 -2.365 1.123 1.478 1.00 31.55 C ATOM 818 CG2 VAL A 56 -4.271 2.690 0.974 1.00 5.02 C ATOM 0 H VAL A 56 -3.699 -1.382 2.330 1.00 54.04 H new ATOM 0 HA VAL A 56 -5.783 0.630 1.755 1.00 4.40 H new ATOM 0 HB VAL A 56 -3.865 1.741 2.832 1.00 2.10 H new ATOM 0 HG11 VAL A 56 -1.740 2.004 1.624 1.00 31.55 H new ATOM 0 HG12 VAL A 56 -2.036 0.330 2.149 1.00 31.55 H new ATOM 0 HG13 VAL A 56 -2.278 0.784 0.446 1.00 31.55 H new ATOM 0 HG21 VAL A 56 -3.576 3.514 1.135 1.00 5.02 H new ATOM 0 HG22 VAL A 56 -4.295 2.438 -0.086 1.00 5.02 H new ATOM 0 HG23 VAL A 56 -5.268 2.987 1.299 1.00 5.02 H new ATOM 828 N ALA A 57 -5.423 0.265 -0.728 1.00 64.51 N ATOM 829 CA ALA A 57 -5.495 -0.196 -2.087 1.00 21.42 C ATOM 830 C ALA A 57 -5.068 0.912 -3.026 1.00 13.01 C ATOM 831 O ALA A 57 -5.170 2.088 -2.685 1.00 63.14 O ATOM 832 CB ALA A 57 -6.911 -0.650 -2.404 1.00 14.13 C ATOM 0 H ALA A 57 -5.996 1.088 -0.539 1.00 64.51 H new ATOM 0 HA ALA A 57 -4.822 -1.043 -2.218 1.00 21.42 H new ATOM 0 HB1 ALA A 57 -6.959 -0.998 -3.436 1.00 14.13 H new ATOM 0 HB2 ALA A 57 -7.191 -1.462 -1.733 1.00 14.13 H new ATOM 0 HB3 ALA A 57 -7.599 0.185 -2.270 1.00 14.13 H new ATOM 838 N VAL A 58 -4.600 0.526 -4.185 1.00 3.54 N ATOM 839 CA VAL A 58 -4.110 1.440 -5.201 1.00 31.43 C ATOM 840 C VAL A 58 -4.715 1.138 -6.537 1.00 4.13 C ATOM 841 O VAL A 58 -5.360 0.111 -6.719 1.00 54.50 O ATOM 842 CB VAL A 58 -2.570 1.499 -5.332 1.00 54.34 C ATOM 843 CG1 VAL A 58 -1.971 2.270 -4.172 1.00 72.45 C ATOM 844 CG2 VAL A 58 -1.975 0.096 -5.428 1.00 75.32 C ATOM 0 H VAL A 58 -4.545 -0.454 -4.461 1.00 3.54 H new ATOM 0 HA VAL A 58 -4.426 2.425 -4.857 1.00 31.43 H new ATOM 0 HB VAL A 58 -2.323 2.025 -6.254 1.00 54.34 H new ATOM 0 HG11 VAL A 58 -0.887 2.303 -4.278 1.00 72.45 H new ATOM 0 HG12 VAL A 58 -2.366 3.286 -4.168 1.00 72.45 H new ATOM 0 HG13 VAL A 58 -2.229 1.776 -3.235 1.00 72.45 H new ATOM 0 HG21 VAL A 58 -0.891 0.166 -5.519 1.00 75.32 H new ATOM 0 HG22 VAL A 58 -2.228 -0.469 -4.531 1.00 75.32 H new ATOM 0 HG23 VAL A 58 -2.381 -0.412 -6.303 1.00 75.32 H new ATOM 854 N ARG A 59 -4.515 2.018 -7.456 1.00 12.40 N ATOM 855 CA ARG A 59 -5.084 1.906 -8.762 1.00 33.20 C ATOM 856 C ARG A 59 -3.994 1.543 -9.749 1.00 73.42 C ATOM 857 O ARG A 59 -3.023 2.268 -9.920 1.00 15.25 O ATOM 858 CB ARG A 59 -5.731 3.240 -9.146 1.00 31.23 C ATOM 859 CG ARG A 59 -6.059 3.396 -10.621 1.00 43.22 C ATOM 860 CD ARG A 59 -6.469 4.825 -10.928 1.00 14.14 C ATOM 861 NE ARG A 59 -6.197 5.176 -12.325 1.00 51.33 N ATOM 862 CZ ARG A 59 -5.032 5.699 -12.757 1.00 24.31 C ATOM 863 NH1 ARG A 59 -4.037 5.902 -11.889 1.00 43.45 N ATOM 864 NH2 ARG A 59 -4.865 6.009 -14.044 1.00 63.43 N ATOM 0 H ARG A 59 -3.942 2.851 -7.323 1.00 12.40 H new ATOM 0 HA ARG A 59 -5.847 1.127 -8.775 1.00 33.20 H new ATOM 0 HB2 ARG A 59 -6.649 3.360 -8.571 1.00 31.23 H new ATOM 0 HB3 ARG A 59 -5.062 4.049 -8.851 1.00 31.23 H new ATOM 0 HG2 ARG A 59 -5.192 3.123 -11.223 1.00 43.22 H new ATOM 0 HG3 ARG A 59 -6.864 2.714 -10.894 1.00 43.22 H new ATOM 0 HD2 ARG A 59 -7.532 4.952 -10.721 1.00 14.14 H new ATOM 0 HD3 ARG A 59 -5.932 5.508 -10.269 1.00 14.14 H new ATOM 0 HE ARG A 59 -6.934 5.015 -13.012 1.00 51.33 H new ATOM 0 HH11 ARG A 59 -4.161 5.662 -10.906 1.00 43.45 H new ATOM 0 HH12 ARG A 59 -3.153 6.297 -12.210 1.00 43.45 H new ATOM 0 HH21 ARG A 59 -5.622 5.851 -14.709 1.00 63.43 H new ATOM 0 HH22 ARG A 59 -3.980 6.404 -14.363 1.00 63.43 H new ATOM 878 N ARG A 60 -4.205 0.427 -10.394 1.00 1.44 N ATOM 879 CA ARG A 60 -3.295 -0.161 -11.348 1.00 1.52 C ATOM 880 C ARG A 60 -3.964 -0.152 -12.670 1.00 53.40 C ATOM 881 O ARG A 60 -4.967 -0.860 -12.848 1.00 41.24 O ATOM 882 CB ARG A 60 -3.043 -1.625 -10.951 1.00 4.40 C ATOM 883 CG ARG A 60 -2.275 -2.446 -11.972 1.00 2.33 C ATOM 884 CD ARG A 60 -2.391 -3.958 -11.691 1.00 34.45 C ATOM 885 NE ARG A 60 -3.744 -4.473 -12.011 1.00 14.33 N ATOM 886 CZ ARG A 60 -4.278 -5.654 -11.606 1.00 44.23 C ATOM 887 NH1 ARG A 60 -3.592 -6.489 -10.838 1.00 1.10 N ATOM 888 NH2 ARG A 60 -5.507 -5.988 -11.984 1.00 74.23 N ATOM 0 H ARG A 60 -5.054 -0.124 -10.265 1.00 1.44 H new ATOM 0 HA ARG A 60 -2.355 0.390 -11.375 1.00 1.52 H new ATOM 0 HB2 ARG A 60 -2.495 -1.641 -10.009 1.00 4.40 H new ATOM 0 HB3 ARG A 60 -4.004 -2.106 -10.769 1.00 4.40 H new ATOM 0 HG2 ARG A 60 -2.654 -2.231 -12.971 1.00 2.33 H new ATOM 0 HG3 ARG A 60 -1.225 -2.153 -11.960 1.00 2.33 H new ATOM 0 HD2 ARG A 60 -1.648 -4.496 -12.280 1.00 34.45 H new ATOM 0 HD3 ARG A 60 -2.167 -4.151 -10.642 1.00 34.45 H new ATOM 0 HE ARG A 60 -4.334 -3.880 -12.595 1.00 14.33 H new ATOM 0 HH11 ARG A 60 -2.646 -6.249 -10.541 1.00 1.10 H new ATOM 0 HH12 ARG A 60 -4.010 -7.372 -10.544 1.00 1.10 H new ATOM 0 HH21 ARG A 60 -6.047 -5.358 -12.577 1.00 74.23 H new ATOM 0 HH22 ARG A 60 -5.910 -6.875 -11.681 1.00 74.23 H new ATOM 902 N ALA A 61 -3.418 0.658 -13.591 1.00 54.21 N ATOM 903 CA ALA A 61 -3.911 0.859 -14.973 1.00 60.01 C ATOM 904 C ALA A 61 -5.315 1.485 -15.011 1.00 32.32 C ATOM 905 O ALA A 61 -5.556 2.492 -15.680 1.00 0.12 O ATOM 906 CB ALA A 61 -3.868 -0.446 -15.765 1.00 61.44 C ATOM 0 H ALA A 61 -2.588 1.215 -13.390 1.00 54.21 H new ATOM 0 HA ALA A 61 -3.237 1.571 -15.449 1.00 60.01 H new ATOM 0 HB1 ALA A 61 -4.235 -0.270 -16.776 1.00 61.44 H new ATOM 0 HB2 ALA A 61 -2.842 -0.811 -15.810 1.00 61.44 H new ATOM 0 HB3 ALA A 61 -4.496 -1.190 -15.275 1.00 61.44 H new ATOM 912 N GLY A 62 -6.198 0.884 -14.288 1.00 74.24 N ATOM 913 CA GLY A 62 -7.573 1.297 -14.202 1.00 30.30 C ATOM 914 C GLY A 62 -8.378 0.422 -13.244 1.00 45.32 C ATOM 915 O GLY A 62 -9.609 0.438 -13.274 1.00 43.25 O ATOM 0 H GLY A 62 -5.984 0.065 -13.719 1.00 74.24 H new ATOM 0 HA2 GLY A 62 -7.619 2.334 -13.870 1.00 30.30 H new ATOM 0 HA3 GLY A 62 -8.025 1.259 -15.193 1.00 30.30 H new ATOM 919 N GLY A 63 -7.697 -0.361 -12.407 1.00 74.22 N ATOM 920 CA GLY A 63 -8.389 -1.184 -11.444 1.00 3.44 C ATOM 921 C GLY A 63 -7.854 -0.949 -10.066 1.00 53.41 C ATOM 922 O GLY A 63 -6.710 -0.548 -9.921 1.00 24.01 O ATOM 0 H GLY A 63 -6.680 -0.435 -12.384 1.00 74.22 H new ATOM 0 HA2 GLY A 63 -9.456 -0.962 -11.468 1.00 3.44 H new ATOM 0 HA3 GLY A 63 -8.276 -2.235 -11.709 1.00 3.44 H new ATOM 926 N VAL A 64 -8.651 -1.201 -9.061 1.00 63.22 N ATOM 927 CA VAL A 64 -8.235 -0.992 -7.690 1.00 53.32 C ATOM 928 C VAL A 64 -7.762 -2.325 -7.141 1.00 25.02 C ATOM 929 O VAL A 64 -8.516 -3.303 -7.105 1.00 61.31 O ATOM 930 CB VAL A 64 -9.411 -0.445 -6.826 1.00 13.02 C ATOM 931 CG1 VAL A 64 -8.969 -0.188 -5.392 1.00 45.15 C ATOM 932 CG2 VAL A 64 -9.987 0.829 -7.437 1.00 51.05 C ATOM 0 H VAL A 64 -9.602 -1.555 -9.163 1.00 63.22 H new ATOM 0 HA VAL A 64 -7.433 -0.254 -7.656 1.00 53.32 H new ATOM 0 HB VAL A 64 -10.190 -1.207 -6.811 1.00 13.02 H new ATOM 0 HG11 VAL A 64 -9.811 0.193 -4.814 1.00 45.15 H new ATOM 0 HG12 VAL A 64 -8.616 -1.119 -4.948 1.00 45.15 H new ATOM 0 HG13 VAL A 64 -8.163 0.546 -5.386 1.00 45.15 H new ATOM 0 HG21 VAL A 64 -10.806 1.192 -6.816 1.00 51.05 H new ATOM 0 HG22 VAL A 64 -9.209 1.590 -7.492 1.00 51.05 H new ATOM 0 HG23 VAL A 64 -10.358 0.616 -8.440 1.00 51.05 H new ATOM 942 N VAL A 65 -6.530 -2.363 -6.738 1.00 73.21 N ATOM 943 CA VAL A 65 -5.883 -3.581 -6.332 1.00 21.31 C ATOM 944 C VAL A 65 -5.052 -3.387 -5.080 1.00 54.12 C ATOM 945 O VAL A 65 -4.735 -2.256 -4.690 1.00 41.33 O ATOM 946 CB VAL A 65 -4.960 -4.133 -7.456 1.00 22.23 C ATOM 947 CG1 VAL A 65 -5.772 -4.634 -8.636 1.00 64.54 C ATOM 948 CG2 VAL A 65 -3.978 -3.066 -7.919 1.00 15.33 C ATOM 0 H VAL A 65 -5.933 -1.538 -6.679 1.00 73.21 H new ATOM 0 HA VAL A 65 -6.680 -4.296 -6.126 1.00 21.31 H new ATOM 0 HB VAL A 65 -4.401 -4.972 -7.041 1.00 22.23 H new ATOM 0 HG11 VAL A 65 -5.100 -5.014 -9.405 1.00 64.54 H new ATOM 0 HG12 VAL A 65 -6.436 -5.434 -8.308 1.00 64.54 H new ATOM 0 HG13 VAL A 65 -6.365 -3.815 -9.044 1.00 64.54 H new ATOM 0 HG21 VAL A 65 -3.342 -3.473 -8.705 1.00 15.33 H new ATOM 0 HG22 VAL A 65 -4.528 -2.208 -8.305 1.00 15.33 H new ATOM 0 HG23 VAL A 65 -3.359 -2.752 -7.078 1.00 15.33 H new ATOM 958 N ILE A 66 -4.704 -4.489 -4.469 1.00 3.04 N ATOM 959 CA ILE A 66 -3.883 -4.513 -3.286 1.00 33.31 C ATOM 960 C ILE A 66 -2.669 -5.403 -3.599 1.00 4.51 C ATOM 961 O ILE A 66 -2.842 -6.526 -4.032 1.00 50.32 O ATOM 962 CB ILE A 66 -4.628 -5.104 -2.021 1.00 22.41 C ATOM 963 CG1 ILE A 66 -5.939 -4.348 -1.662 1.00 35.35 C ATOM 964 CG2 ILE A 66 -3.704 -5.105 -0.813 1.00 44.11 C ATOM 965 CD1 ILE A 66 -7.136 -4.642 -2.559 1.00 32.53 C ATOM 0 H ILE A 66 -4.989 -5.415 -4.787 1.00 3.04 H new ATOM 0 HA ILE A 66 -3.608 -3.488 -3.039 1.00 33.31 H new ATOM 0 HB ILE A 66 -4.907 -6.123 -2.289 1.00 22.41 H new ATOM 0 HG12 ILE A 66 -6.209 -4.593 -0.635 1.00 35.35 H new ATOM 0 HG13 ILE A 66 -5.739 -3.277 -1.692 1.00 35.35 H new ATOM 0 HG21 ILE A 66 -4.232 -5.514 0.048 1.00 44.11 H new ATOM 0 HG22 ILE A 66 -2.827 -5.717 -1.026 1.00 44.11 H new ATOM 0 HG23 ILE A 66 -3.390 -4.084 -0.594 1.00 44.11 H new ATOM 0 HD11 ILE A 66 -7.995 -4.063 -2.220 1.00 32.53 H new ATOM 0 HD12 ILE A 66 -6.897 -4.368 -3.587 1.00 32.53 H new ATOM 0 HD13 ILE A 66 -7.373 -5.705 -2.512 1.00 32.53 H new ATOM 977 N PRO A 67 -1.442 -4.910 -3.454 1.00 3.12 N ATOM 978 CA PRO A 67 -0.232 -5.701 -3.747 1.00 62.20 C ATOM 979 C PRO A 67 -0.061 -6.945 -2.850 1.00 0.03 C ATOM 980 O PRO A 67 -0.382 -6.910 -1.662 1.00 70.24 O ATOM 981 CB PRO A 67 0.910 -4.713 -3.488 1.00 41.32 C ATOM 982 CG PRO A 67 0.277 -3.366 -3.544 1.00 31.25 C ATOM 983 CD PRO A 67 -1.112 -3.545 -3.024 1.00 13.22 C ATOM 0 HA PRO A 67 -0.270 -6.101 -4.760 1.00 62.20 H new ATOM 0 HB2 PRO A 67 1.373 -4.891 -2.517 1.00 41.32 H new ATOM 0 HB3 PRO A 67 1.695 -4.812 -4.238 1.00 41.32 H new ATOM 0 HG2 PRO A 67 0.831 -2.648 -2.939 1.00 31.25 H new ATOM 0 HG3 PRO A 67 0.266 -2.982 -4.564 1.00 31.25 H new ATOM 0 HD2 PRO A 67 -1.156 -3.440 -1.940 1.00 13.22 H new ATOM 0 HD3 PRO A 67 -1.800 -2.811 -3.443 1.00 13.22 H new ATOM 991 N GLN A 68 0.460 -8.038 -3.454 1.00 63.13 N ATOM 992 CA GLN A 68 0.795 -9.315 -2.746 1.00 32.34 C ATOM 993 C GLN A 68 1.609 -9.050 -1.491 1.00 53.30 C ATOM 994 O GLN A 68 1.366 -9.618 -0.441 1.00 32.43 O ATOM 995 CB GLN A 68 1.645 -10.195 -3.680 1.00 51.52 C ATOM 996 CG GLN A 68 2.213 -11.477 -3.057 1.00 43.43 C ATOM 997 CD GLN A 68 1.158 -12.493 -2.680 1.00 40.12 C ATOM 998 OE1 GLN A 68 0.114 -12.567 -3.450 1.00 20.02 O flip ATOM 999 NE2 GLN A 68 1.315 -13.239 -1.722 1.00 42.11 N flip ATOM 0 H GLN A 68 0.665 -8.068 -4.453 1.00 63.13 H new ATOM 0 HA GLN A 68 -0.139 -9.807 -2.472 1.00 32.34 H new ATOM 0 HB2 GLN A 68 1.037 -10.471 -4.541 1.00 51.52 H new ATOM 0 HB3 GLN A 68 2.476 -9.597 -4.055 1.00 51.52 H new ATOM 0 HG2 GLN A 68 2.909 -11.934 -3.760 1.00 43.43 H new ATOM 0 HG3 GLN A 68 2.785 -11.215 -2.167 1.00 43.43 H new ATOM 0 HE21 GLN A 68 2.147 -13.152 -1.139 1.00 42.11 H new ATOM 0 HE22 GLN A 68 0.613 -13.947 -1.507 1.00 42.11 H new ATOM 1008 N VAL A 69 2.538 -8.150 -1.631 1.00 51.20 N ATOM 1009 CA VAL A 69 3.479 -7.788 -0.589 1.00 52.22 C ATOM 1010 C VAL A 69 2.823 -7.115 0.644 1.00 25.03 C ATOM 1011 O VAL A 69 3.485 -6.889 1.646 1.00 13.40 O ATOM 1012 CB VAL A 69 4.601 -6.899 -1.169 1.00 50.14 C ATOM 1013 CG1 VAL A 69 5.455 -7.696 -2.139 1.00 65.24 C ATOM 1014 CG2 VAL A 69 4.001 -5.701 -1.890 1.00 63.42 C ATOM 0 H VAL A 69 2.673 -7.627 -2.496 1.00 51.20 H new ATOM 0 HA VAL A 69 3.904 -8.722 -0.222 1.00 52.22 H new ATOM 0 HB VAL A 69 5.224 -6.549 -0.346 1.00 50.14 H new ATOM 0 HG11 VAL A 69 6.242 -7.057 -2.540 1.00 65.24 H new ATOM 0 HG12 VAL A 69 5.904 -8.542 -1.618 1.00 65.24 H new ATOM 0 HG13 VAL A 69 4.833 -8.062 -2.956 1.00 65.24 H new ATOM 0 HG21 VAL A 69 4.801 -5.082 -2.295 1.00 63.42 H new ATOM 0 HG22 VAL A 69 3.364 -6.048 -2.704 1.00 63.42 H new ATOM 0 HG23 VAL A 69 3.407 -5.114 -1.189 1.00 63.42 H new ATOM 1024 N PHE A 70 1.533 -6.806 0.556 1.00 71.14 N ATOM 1025 CA PHE A 70 0.790 -6.255 1.688 1.00 11.15 C ATOM 1026 C PHE A 70 0.206 -7.373 2.537 1.00 43.12 C ATOM 1027 O PHE A 70 -0.377 -7.146 3.607 1.00 61.24 O ATOM 1028 CB PHE A 70 -0.296 -5.274 1.223 1.00 35.41 C ATOM 1029 CG PHE A 70 0.197 -3.858 1.083 1.00 54.12 C ATOM 1030 CD1 PHE A 70 1.214 -3.533 0.207 1.00 73.50 C ATOM 1031 CD2 PHE A 70 -0.355 -2.855 1.858 1.00 51.13 C ATOM 1032 CE1 PHE A 70 1.671 -2.234 0.111 1.00 51.10 C ATOM 1033 CE2 PHE A 70 0.093 -1.562 1.767 1.00 51.44 C ATOM 1034 CZ PHE A 70 1.107 -1.246 0.898 1.00 41.30 C ATOM 0 H PHE A 70 0.977 -6.928 -0.291 1.00 71.14 H new ATOM 0 HA PHE A 70 1.486 -5.690 2.307 1.00 11.15 H new ATOM 0 HB2 PHE A 70 -0.692 -5.609 0.264 1.00 35.41 H new ATOM 0 HB3 PHE A 70 -1.122 -5.295 1.934 1.00 35.41 H new ATOM 0 HD1 PHE A 70 1.656 -4.302 -0.409 1.00 73.50 H new ATOM 0 HD2 PHE A 70 -1.152 -3.094 2.546 1.00 51.13 H new ATOM 0 HE1 PHE A 70 2.467 -1.990 -0.577 1.00 51.10 H new ATOM 0 HE2 PHE A 70 -0.352 -0.792 2.380 1.00 51.44 H new ATOM 0 HZ PHE A 70 1.464 -0.229 0.829 1.00 41.30 H new ATOM 1044 N PHE A 71 0.377 -8.571 2.062 1.00 4.50 N ATOM 1045 CA PHE A 71 -0.053 -9.744 2.755 1.00 44.33 C ATOM 1046 C PHE A 71 1.154 -10.580 3.078 1.00 54.52 C ATOM 1047 O PHE A 71 2.216 -10.410 2.474 1.00 3.13 O ATOM 1048 CB PHE A 71 -1.047 -10.565 1.912 1.00 21.35 C ATOM 1049 CG PHE A 71 -2.402 -9.931 1.726 1.00 30.02 C ATOM 1050 CD1 PHE A 71 -2.612 -8.964 0.760 1.00 65.15 C ATOM 1051 CD2 PHE A 71 -3.470 -10.322 2.516 1.00 14.45 C ATOM 1052 CE1 PHE A 71 -3.860 -8.399 0.589 1.00 71.22 C ATOM 1053 CE2 PHE A 71 -4.719 -9.762 2.348 1.00 1.01 C ATOM 1054 CZ PHE A 71 -4.914 -8.800 1.383 1.00 61.34 C ATOM 0 H PHE A 71 0.827 -8.761 1.167 1.00 4.50 H new ATOM 0 HA PHE A 71 -0.566 -9.444 3.669 1.00 44.33 H new ATOM 0 HB2 PHE A 71 -0.608 -10.742 0.930 1.00 21.35 H new ATOM 0 HB3 PHE A 71 -1.180 -11.539 2.382 1.00 21.35 H new ATOM 0 HD1 PHE A 71 -1.791 -8.648 0.133 1.00 65.15 H new ATOM 0 HD2 PHE A 71 -3.323 -11.076 3.275 1.00 14.45 H new ATOM 0 HE1 PHE A 71 -4.011 -7.643 -0.167 1.00 71.22 H new ATOM 0 HE2 PHE A 71 -5.542 -10.077 2.972 1.00 1.01 H new ATOM 0 HZ PHE A 71 -5.891 -8.360 1.248 1.00 61.34 H new ATOM 1064 N THR A 72 1.014 -11.438 4.036 1.00 53.11 N ATOM 1065 CA THR A 72 2.048 -12.353 4.396 1.00 22.41 C ATOM 1066 C THR A 72 1.926 -13.605 3.523 1.00 21.34 C ATOM 1067 O THR A 72 0.965 -13.732 2.741 1.00 33.13 O ATOM 1068 CB THR A 72 1.922 -12.740 5.876 1.00 4.10 C ATOM 1069 OG1 THR A 72 0.601 -13.264 6.127 1.00 34.24 O ATOM 1070 CG2 THR A 72 2.180 -11.537 6.778 1.00 64.13 C ATOM 0 H THR A 72 0.167 -11.524 4.598 1.00 53.11 H new ATOM 0 HA THR A 72 3.019 -11.883 4.241 1.00 22.41 H new ATOM 0 HB THR A 72 2.669 -13.502 6.100 1.00 4.10 H new ATOM 0 HG1 THR A 72 0.522 -13.512 7.072 1.00 34.24 H new ATOM 0 HG21 THR A 72 2.085 -11.838 7.821 1.00 64.13 H new ATOM 0 HG22 THR A 72 3.186 -11.158 6.600 1.00 64.13 H new ATOM 0 HG23 THR A 72 1.453 -10.755 6.558 1.00 64.13 H new ATOM 1078 N ASN A 73 2.864 -14.535 3.658 1.00 44.34 N ATOM 1079 CA ASN A 73 2.830 -15.796 2.890 1.00 1.22 C ATOM 1080 C ASN A 73 1.582 -16.625 3.261 1.00 73.33 C ATOM 1081 O ASN A 73 1.104 -17.442 2.481 1.00 11.34 O ATOM 1082 CB ASN A 73 4.109 -16.616 3.143 1.00 4.20 C ATOM 1083 CG ASN A 73 4.213 -17.916 2.322 1.00 1.32 C ATOM 1084 OD1 ASN A 73 4.771 -18.908 2.791 1.00 75.33 O ATOM 1085 ND2 ASN A 73 3.718 -17.924 1.102 1.00 60.11 N ATOM 0 H ASN A 73 3.661 -14.450 4.289 1.00 44.34 H new ATOM 0 HA ASN A 73 2.779 -15.549 1.830 1.00 1.22 H new ATOM 0 HB2 ASN A 73 4.974 -15.992 2.921 1.00 4.20 H new ATOM 0 HB3 ASN A 73 4.160 -16.866 4.203 1.00 4.20 H new ATOM 0 HD21 ASN A 73 3.793 -18.763 0.527 1.00 60.11 H new ATOM 0 HD22 ASN A 73 3.259 -17.091 0.732 1.00 60.11 H new ATOM 1092 N SER A 74 1.031 -16.362 4.436 1.00 13.34 N ATOM 1093 CA SER A 74 -0.155 -17.050 4.895 1.00 72.22 C ATOM 1094 C SER A 74 -1.414 -16.453 4.243 1.00 71.32 C ATOM 1095 O SER A 74 -2.503 -17.035 4.325 1.00 53.20 O ATOM 1096 CB SER A 74 -0.245 -16.973 6.434 1.00 22.51 C ATOM 1097 OG SER A 74 -1.345 -17.720 6.949 1.00 4.13 O ATOM 0 H SER A 74 1.394 -15.669 5.091 1.00 13.34 H new ATOM 0 HA SER A 74 -0.090 -18.098 4.602 1.00 72.22 H new ATOM 0 HB2 SER A 74 0.681 -17.348 6.869 1.00 22.51 H new ATOM 0 HB3 SER A 74 -0.342 -15.931 6.739 1.00 22.51 H new ATOM 0 HG SER A 74 -2.025 -17.823 6.251 1.00 4.13 H new ATOM 1103 N GLY A 75 -1.257 -15.322 3.575 1.00 64.22 N ATOM 1104 CA GLY A 75 -2.388 -14.671 2.957 1.00 14.32 C ATOM 1105 C GLY A 75 -3.158 -13.857 3.955 1.00 34.50 C ATOM 1106 O GLY A 75 -4.372 -13.704 3.850 1.00 21.33 O ATOM 0 H GLY A 75 -0.365 -14.844 3.450 1.00 64.22 H new ATOM 0 HA2 GLY A 75 -2.043 -14.027 2.148 1.00 14.32 H new ATOM 0 HA3 GLY A 75 -3.043 -15.420 2.512 1.00 14.32 H new ATOM 1110 N GLN A 76 -2.463 -13.366 4.945 1.00 4.51 N ATOM 1111 CA GLN A 76 -3.077 -12.564 5.968 1.00 52.14 C ATOM 1112 C GLN A 76 -2.433 -11.179 5.918 1.00 65.23 C ATOM 1113 O GLN A 76 -1.290 -11.050 5.482 1.00 42.31 O ATOM 1114 CB GLN A 76 -2.856 -13.236 7.334 1.00 71.41 C ATOM 1115 CG GLN A 76 -4.039 -13.143 8.303 1.00 52.44 C ATOM 1116 CD GLN A 76 -4.398 -11.740 8.713 1.00 12.30 C ATOM 1117 OE1 GLN A 76 -5.211 -11.074 8.068 1.00 52.01 O ATOM 1118 NE2 GLN A 76 -3.819 -11.286 9.778 1.00 73.53 N ATOM 0 H GLN A 76 -1.460 -13.510 5.065 1.00 4.51 H new ATOM 0 HA GLN A 76 -4.152 -12.468 5.812 1.00 52.14 H new ATOM 0 HB2 GLN A 76 -2.622 -14.288 7.170 1.00 71.41 H new ATOM 0 HB3 GLN A 76 -1.983 -12.785 7.806 1.00 71.41 H new ATOM 0 HG2 GLN A 76 -4.910 -13.607 7.840 1.00 52.44 H new ATOM 0 HG3 GLN A 76 -3.807 -13.722 9.197 1.00 52.44 H new ATOM 0 HE21 GLN A 76 -3.152 -11.869 10.284 1.00 73.53 H new ATOM 0 HE22 GLN A 76 -4.030 -10.345 10.112 1.00 73.53 H new ATOM 1127 N VAL A 77 -3.165 -10.166 6.314 1.00 23.22 N ATOM 1128 CA VAL A 77 -2.663 -8.807 6.318 1.00 10.51 C ATOM 1129 C VAL A 77 -1.638 -8.668 7.434 1.00 41.25 C ATOM 1130 O VAL A 77 -1.894 -9.102 8.572 1.00 3.11 O ATOM 1131 CB VAL A 77 -3.810 -7.775 6.539 1.00 72.22 C ATOM 1132 CG1 VAL A 77 -3.288 -6.342 6.495 1.00 25.35 C ATOM 1133 CG2 VAL A 77 -4.925 -7.969 5.522 1.00 3.32 C ATOM 0 H VAL A 77 -4.126 -10.257 6.643 1.00 23.22 H new ATOM 0 HA VAL A 77 -2.209 -8.602 5.349 1.00 10.51 H new ATOM 0 HB VAL A 77 -4.219 -7.952 7.534 1.00 72.22 H new ATOM 0 HG11 VAL A 77 -4.114 -5.649 6.653 1.00 25.35 H new ATOM 0 HG12 VAL A 77 -2.543 -6.202 7.278 1.00 25.35 H new ATOM 0 HG13 VAL A 77 -2.834 -6.150 5.523 1.00 25.35 H new ATOM 0 HG21 VAL A 77 -5.712 -7.236 5.700 1.00 3.32 H new ATOM 0 HG22 VAL A 77 -4.527 -7.837 4.516 1.00 3.32 H new ATOM 0 HG23 VAL A 77 -5.337 -8.974 5.620 1.00 3.32 H new ATOM 1143 N VAL A 78 -0.489 -8.097 7.107 1.00 63.45 N ATOM 1144 CA VAL A 78 0.593 -7.897 8.068 1.00 41.15 C ATOM 1145 C VAL A 78 0.078 -7.059 9.245 1.00 65.25 C ATOM 1146 O VAL A 78 -0.449 -5.969 9.052 1.00 35.14 O ATOM 1147 CB VAL A 78 1.798 -7.160 7.418 1.00 45.42 C ATOM 1148 CG1 VAL A 78 2.970 -7.030 8.385 1.00 72.45 C ATOM 1149 CG2 VAL A 78 2.238 -7.828 6.127 1.00 74.22 C ATOM 0 H VAL A 78 -0.277 -7.758 6.169 1.00 63.45 H new ATOM 0 HA VAL A 78 0.927 -8.876 8.410 1.00 41.15 H new ATOM 0 HB VAL A 78 1.454 -6.155 7.173 1.00 45.42 H new ATOM 0 HG11 VAL A 78 3.792 -6.510 7.893 1.00 72.45 H new ATOM 0 HG12 VAL A 78 2.656 -6.465 9.263 1.00 72.45 H new ATOM 0 HG13 VAL A 78 3.301 -8.022 8.691 1.00 72.45 H new ATOM 0 HG21 VAL A 78 3.082 -7.283 5.704 1.00 74.22 H new ATOM 0 HG22 VAL A 78 2.536 -8.856 6.333 1.00 74.22 H new ATOM 0 HG23 VAL A 78 1.412 -7.825 5.416 1.00 74.22 H new ATOM 1159 N LYS A 79 0.249 -7.569 10.444 1.00 51.40 N ATOM 1160 CA LYS A 79 -0.252 -6.931 11.659 1.00 44.30 C ATOM 1161 C LYS A 79 0.365 -5.546 11.885 1.00 72.15 C ATOM 1162 O LYS A 79 -0.303 -4.615 12.318 1.00 50.41 O ATOM 1163 CB LYS A 79 0.006 -7.840 12.868 1.00 41.40 C ATOM 1164 CG LYS A 79 -0.390 -7.223 14.191 1.00 0.24 C ATOM 1165 CD LYS A 79 -0.241 -8.198 15.341 1.00 44.33 C ATOM 1166 CE LYS A 79 -0.725 -7.582 16.645 1.00 41.11 C ATOM 1167 NZ LYS A 79 -2.147 -7.173 16.571 1.00 35.31 N ATOM 0 H LYS A 79 0.743 -8.445 10.614 1.00 51.40 H new ATOM 0 HA LYS A 79 -1.325 -6.783 11.537 1.00 44.30 H new ATOM 0 HB2 LYS A 79 -0.543 -8.772 12.734 1.00 41.40 H new ATOM 0 HB3 LYS A 79 1.065 -8.095 12.899 1.00 41.40 H new ATOM 0 HG2 LYS A 79 0.226 -6.344 14.379 1.00 0.24 H new ATOM 0 HG3 LYS A 79 -1.424 -6.882 14.137 1.00 0.24 H new ATOM 0 HD2 LYS A 79 -0.809 -9.104 15.130 1.00 44.33 H new ATOM 0 HD3 LYS A 79 0.804 -8.492 15.440 1.00 44.33 H new ATOM 0 HE2 LYS A 79 -0.596 -8.300 17.455 1.00 41.11 H new ATOM 0 HE3 LYS A 79 -0.110 -6.715 16.887 1.00 41.11 H new ATOM 0 HZ1 LYS A 79 -2.634 -7.449 17.448 1.00 35.31 H new ATOM 0 HZ2 LYS A 79 -2.206 -6.142 16.452 1.00 35.31 H new ATOM 0 HZ3 LYS A 79 -2.601 -7.641 15.761 1.00 35.31 H new ATOM 1181 N SER A 80 1.614 -5.409 11.547 1.00 73.01 N ATOM 1182 CA SER A 80 2.325 -4.174 11.778 1.00 43.51 C ATOM 1183 C SER A 80 2.107 -3.165 10.629 1.00 65.10 C ATOM 1184 O SER A 80 2.551 -2.011 10.705 1.00 12.50 O ATOM 1185 CB SER A 80 3.811 -4.483 11.993 1.00 2.13 C ATOM 1186 OG SER A 80 4.579 -3.305 12.227 1.00 44.12 O ATOM 0 H SER A 80 2.170 -6.142 11.106 1.00 73.01 H new ATOM 0 HA SER A 80 1.930 -3.699 12.676 1.00 43.51 H new ATOM 0 HB2 SER A 80 3.920 -5.160 12.840 1.00 2.13 H new ATOM 0 HB3 SER A 80 4.203 -5.002 11.118 1.00 2.13 H new ATOM 0 HG SER A 80 4.119 -2.532 11.839 1.00 44.12 H new ATOM 1192 N LEU A 81 1.421 -3.599 9.595 1.00 42.51 N ATOM 1193 CA LEU A 81 1.157 -2.775 8.426 1.00 33.53 C ATOM 1194 C LEU A 81 0.231 -1.560 8.737 1.00 70.12 C ATOM 1195 O LEU A 81 0.559 -0.438 8.350 1.00 71.51 O ATOM 1196 CB LEU A 81 0.695 -3.656 7.249 1.00 14.40 C ATOM 1197 CG LEU A 81 0.425 -3.024 5.884 1.00 44.24 C ATOM 1198 CD1 LEU A 81 0.481 -4.117 4.850 1.00 12.41 C ATOM 1199 CD2 LEU A 81 -0.951 -2.367 5.829 1.00 12.20 C ATOM 0 H LEU A 81 1.027 -4.538 9.537 1.00 42.51 H new ATOM 0 HA LEU A 81 2.089 -2.305 8.112 1.00 33.53 H new ATOM 0 HB2 LEU A 81 1.451 -4.428 7.105 1.00 14.40 H new ATOM 0 HB3 LEU A 81 -0.220 -4.160 7.560 1.00 14.40 H new ATOM 0 HG LEU A 81 1.173 -2.253 5.699 1.00 44.24 H new ATOM 0 HD11 LEU A 81 0.291 -3.694 3.863 1.00 12.41 H new ATOM 0 HD12 LEU A 81 1.468 -4.580 4.863 1.00 12.41 H new ATOM 0 HD13 LEU A 81 -0.276 -4.869 5.074 1.00 12.41 H new ATOM 0 HD21 LEU A 81 -1.106 -1.929 4.843 1.00 12.20 H new ATOM 0 HD22 LEU A 81 -1.720 -3.116 6.018 1.00 12.20 H new ATOM 0 HD23 LEU A 81 -1.012 -1.586 6.587 1.00 12.20 H new ATOM 1211 N PRO A 82 -0.936 -1.743 9.448 1.00 10.03 N ATOM 1212 CA PRO A 82 -1.795 -0.610 9.850 1.00 33.31 C ATOM 1213 C PRO A 82 -1.003 0.448 10.626 1.00 42.31 C ATOM 1214 O PRO A 82 -1.285 1.649 10.539 1.00 54.22 O ATOM 1215 CB PRO A 82 -2.832 -1.255 10.769 1.00 41.12 C ATOM 1216 CG PRO A 82 -2.919 -2.663 10.308 1.00 41.33 C ATOM 1217 CD PRO A 82 -1.547 -3.037 9.842 1.00 43.21 C ATOM 0 HA PRO A 82 -2.227 -0.097 8.990 1.00 33.31 H new ATOM 0 HB2 PRO A 82 -2.525 -1.198 11.813 1.00 41.12 H new ATOM 0 HB3 PRO A 82 -3.796 -0.753 10.692 1.00 41.12 H new ATOM 0 HG2 PRO A 82 -3.247 -3.317 11.116 1.00 41.33 H new ATOM 0 HG3 PRO A 82 -3.645 -2.764 9.501 1.00 41.33 H new ATOM 0 HD2 PRO A 82 -0.976 -3.524 10.633 1.00 43.21 H new ATOM 0 HD3 PRO A 82 -1.586 -3.732 9.003 1.00 43.21 H new ATOM 1225 N GLY A 83 0.019 -0.014 11.344 1.00 41.05 N ATOM 1226 CA GLY A 83 0.876 0.854 12.114 1.00 12.44 C ATOM 1227 C GLY A 83 1.626 1.844 11.239 1.00 62.23 C ATOM 1228 O GLY A 83 1.746 3.025 11.594 1.00 72.53 O ATOM 0 H GLY A 83 0.267 -1.002 11.401 1.00 41.05 H new ATOM 0 HA2 GLY A 83 0.277 1.398 12.844 1.00 12.44 H new ATOM 0 HA3 GLY A 83 1.592 0.252 12.674 1.00 12.44 H new ATOM 1232 N LEU A 84 2.124 1.382 10.089 1.00 74.40 N ATOM 1233 CA LEU A 84 2.834 2.273 9.175 1.00 61.32 C ATOM 1234 C LEU A 84 1.851 3.264 8.586 1.00 3.14 C ATOM 1235 O LEU A 84 2.139 4.444 8.470 1.00 23.12 O ATOM 1236 CB LEU A 84 3.632 1.501 8.074 1.00 21.42 C ATOM 1237 CG LEU A 84 2.845 0.845 6.916 1.00 74.24 C ATOM 1238 CD1 LEU A 84 2.614 1.823 5.754 1.00 21.54 C ATOM 1239 CD2 LEU A 84 3.533 -0.420 6.435 1.00 54.52 C ATOM 0 H LEU A 84 2.050 0.414 9.775 1.00 74.40 H new ATOM 0 HA LEU A 84 3.590 2.817 9.741 1.00 61.32 H new ATOM 0 HB2 LEU A 84 4.349 2.195 7.636 1.00 21.42 H new ATOM 0 HB3 LEU A 84 4.207 0.719 8.569 1.00 21.42 H new ATOM 0 HG LEU A 84 1.865 0.570 7.307 1.00 74.24 H new ATOM 0 HD11 LEU A 84 2.058 1.322 4.962 1.00 21.54 H new ATOM 0 HD12 LEU A 84 2.045 2.682 6.109 1.00 21.54 H new ATOM 0 HD13 LEU A 84 3.575 2.160 5.365 1.00 21.54 H new ATOM 0 HD21 LEU A 84 2.958 -0.860 5.621 1.00 54.52 H new ATOM 0 HD22 LEU A 84 4.535 -0.177 6.081 1.00 54.52 H new ATOM 0 HD23 LEU A 84 3.601 -1.132 7.257 1.00 54.52 H new ATOM 1251 N LEU A 85 0.663 2.775 8.255 1.00 31.25 N ATOM 1252 CA LEU A 85 -0.368 3.622 7.690 1.00 34.30 C ATOM 1253 C LEU A 85 -0.748 4.711 8.668 1.00 65.55 C ATOM 1254 O LEU A 85 -0.877 5.854 8.290 1.00 52.22 O ATOM 1255 CB LEU A 85 -1.597 2.804 7.265 1.00 13.22 C ATOM 1256 CG LEU A 85 -1.381 1.796 6.125 1.00 23.11 C ATOM 1257 CD1 LEU A 85 -2.653 1.012 5.866 1.00 12.32 C ATOM 1258 CD2 LEU A 85 -0.944 2.509 4.849 1.00 34.12 C ATOM 0 H LEU A 85 0.394 1.798 8.369 1.00 31.25 H new ATOM 0 HA LEU A 85 0.034 4.091 6.792 1.00 34.30 H new ATOM 0 HB2 LEU A 85 -1.966 2.262 8.136 1.00 13.22 H new ATOM 0 HB3 LEU A 85 -2.383 3.497 6.965 1.00 13.22 H new ATOM 0 HG LEU A 85 -0.593 1.106 6.427 1.00 23.11 H new ATOM 0 HD11 LEU A 85 -2.484 0.302 5.056 1.00 12.32 H new ATOM 0 HD12 LEU A 85 -2.937 0.472 6.769 1.00 12.32 H new ATOM 0 HD13 LEU A 85 -3.453 1.698 5.587 1.00 12.32 H new ATOM 0 HD21 LEU A 85 -0.797 1.777 4.055 1.00 34.12 H new ATOM 0 HD22 LEU A 85 -1.713 3.221 4.548 1.00 34.12 H new ATOM 0 HD23 LEU A 85 -0.010 3.040 5.031 1.00 34.12 H new ATOM 1270 N THR A 86 -0.824 4.354 9.933 1.00 54.42 N ATOM 1271 CA THR A 86 -1.186 5.299 10.988 1.00 1.10 C ATOM 1272 C THR A 86 -0.219 6.510 11.028 1.00 20.32 C ATOM 1273 O THR A 86 -0.668 7.673 11.059 1.00 11.41 O ATOM 1274 CB THR A 86 -1.244 4.592 12.372 1.00 13.15 C ATOM 1275 OG1 THR A 86 -2.245 3.559 12.337 1.00 52.13 O ATOM 1276 CG2 THR A 86 -1.577 5.573 13.494 1.00 72.45 C ATOM 0 H THR A 86 -0.639 3.408 10.266 1.00 54.42 H new ATOM 0 HA THR A 86 -2.181 5.680 10.757 1.00 1.10 H new ATOM 0 HB THR A 86 -0.261 4.167 12.573 1.00 13.15 H new ATOM 0 HG1 THR A 86 -1.965 2.854 11.717 1.00 52.13 H new ATOM 0 HG21 THR A 86 -1.608 5.041 14.445 1.00 72.45 H new ATOM 0 HG22 THR A 86 -0.813 6.349 13.537 1.00 72.45 H new ATOM 0 HG23 THR A 86 -2.548 6.030 13.302 1.00 72.45 H new ATOM 1284 N ILE A 87 1.084 6.243 10.991 1.00 22.14 N ATOM 1285 CA ILE A 87 2.068 7.314 11.017 1.00 21.22 C ATOM 1286 C ILE A 87 2.043 8.144 9.715 1.00 72.51 C ATOM 1287 O ILE A 87 2.069 9.380 9.754 1.00 54.15 O ATOM 1288 CB ILE A 87 3.514 6.808 11.452 1.00 73.25 C ATOM 1289 CG1 ILE A 87 4.591 7.926 11.468 1.00 33.20 C ATOM 1290 CG2 ILE A 87 3.991 5.604 10.654 1.00 42.33 C ATOM 1291 CD1 ILE A 87 5.198 8.299 10.114 1.00 20.53 C ATOM 0 H ILE A 87 1.477 5.303 10.943 1.00 22.14 H new ATOM 0 HA ILE A 87 1.779 8.008 11.806 1.00 21.22 H new ATOM 0 HB ILE A 87 3.384 6.485 12.485 1.00 73.25 H new ATOM 0 HG12 ILE A 87 4.148 8.822 11.903 1.00 33.20 H new ATOM 0 HG13 ILE A 87 5.398 7.615 12.131 1.00 33.20 H new ATOM 0 HG21 ILE A 87 4.982 5.309 10.999 1.00 42.33 H new ATOM 0 HG22 ILE A 87 3.296 4.776 10.794 1.00 42.33 H new ATOM 0 HG23 ILE A 87 4.037 5.864 9.596 1.00 42.33 H new ATOM 0 HD11 ILE A 87 5.936 9.089 10.251 1.00 20.53 H new ATOM 0 HD12 ILE A 87 5.680 7.424 9.678 1.00 20.53 H new ATOM 0 HD13 ILE A 87 4.411 8.650 9.447 1.00 20.53 H new ATOM 1303 N LEU A 88 1.944 7.479 8.573 1.00 51.42 N ATOM 1304 CA LEU A 88 1.890 8.189 7.290 1.00 74.20 C ATOM 1305 C LEU A 88 0.618 9.008 7.132 1.00 44.44 C ATOM 1306 O LEU A 88 0.646 10.116 6.580 1.00 53.10 O ATOM 1307 CB LEU A 88 2.071 7.265 6.092 1.00 15.53 C ATOM 1308 CG LEU A 88 3.501 6.851 5.700 1.00 61.02 C ATOM 1309 CD1 LEU A 88 4.391 8.062 5.458 1.00 4.33 C ATOM 1310 CD2 LEU A 88 4.119 5.925 6.708 1.00 71.45 C ATOM 0 H LEU A 88 1.899 6.463 8.501 1.00 51.42 H new ATOM 0 HA LEU A 88 2.737 8.875 7.310 1.00 74.20 H new ATOM 0 HB2 LEU A 88 1.502 6.355 6.285 1.00 15.53 H new ATOM 0 HB3 LEU A 88 1.616 7.748 5.227 1.00 15.53 H new ATOM 0 HG LEU A 88 3.419 6.303 4.761 1.00 61.02 H new ATOM 0 HD11 LEU A 88 5.392 7.729 5.184 1.00 4.33 H new ATOM 0 HD12 LEU A 88 3.975 8.664 4.650 1.00 4.33 H new ATOM 0 HD13 LEU A 88 4.445 8.662 6.367 1.00 4.33 H new ATOM 0 HD21 LEU A 88 5.127 5.660 6.389 1.00 71.45 H new ATOM 0 HD22 LEU A 88 4.164 6.420 7.678 1.00 71.45 H new ATOM 0 HD23 LEU A 88 3.515 5.021 6.790 1.00 71.45 H new ATOM 1322 N HIS A 89 -0.482 8.481 7.616 1.00 62.42 N ATOM 1323 CA HIS A 89 -1.755 9.190 7.578 1.00 45.10 C ATOM 1324 C HIS A 89 -1.698 10.423 8.458 1.00 33.01 C ATOM 1325 O HIS A 89 -2.306 11.446 8.151 1.00 3.24 O ATOM 1326 CB HIS A 89 -2.950 8.284 7.943 1.00 40.24 C ATOM 1327 CG HIS A 89 -3.250 7.211 6.920 1.00 43.52 C ATOM 1328 ND1 HIS A 89 -4.005 6.086 7.178 1.00 21.03 N ATOM 1329 CD2 HIS A 89 -2.887 7.115 5.613 1.00 71.42 C ATOM 1330 CE1 HIS A 89 -4.072 5.367 6.057 1.00 43.34 C ATOM 1331 NE2 HIS A 89 -3.413 5.945 5.076 1.00 51.41 N ATOM 0 H HIS A 89 -0.528 7.557 8.045 1.00 62.42 H new ATOM 0 HA HIS A 89 -1.922 9.507 6.549 1.00 45.10 H new ATOM 0 HB2 HIS A 89 -2.751 7.809 8.904 1.00 40.24 H new ATOM 0 HB3 HIS A 89 -3.836 8.905 8.072 1.00 40.24 H new ATOM 0 HD2 HIS A 89 -2.285 7.834 5.077 1.00 71.42 H new ATOM 0 HE1 HIS A 89 -4.600 4.429 5.966 1.00 43.34 H new ATOM 0 HE2 HIS A 89 -3.309 5.605 4.120 1.00 51.41 H new ATOM 1339 N ASP A 90 -0.940 10.331 9.541 1.00 53.42 N ATOM 1340 CA ASP A 90 -0.733 11.468 10.442 1.00 4.43 C ATOM 1341 C ASP A 90 0.085 12.555 9.744 1.00 22.33 C ATOM 1342 O ASP A 90 -0.088 13.752 10.001 1.00 13.10 O ATOM 1343 CB ASP A 90 -0.017 11.026 11.722 1.00 32.13 C ATOM 1344 CG ASP A 90 0.171 12.166 12.700 1.00 64.54 C ATOM 1345 OD1 ASP A 90 -0.839 12.620 13.287 1.00 45.10 O ATOM 1346 OD2 ASP A 90 1.318 12.636 12.898 1.00 13.43 O ATOM 0 H ASP A 90 -0.454 9.479 9.822 1.00 53.42 H new ATOM 0 HA ASP A 90 -1.710 11.869 10.710 1.00 4.43 H new ATOM 0 HB2 ASP A 90 -0.590 10.231 12.200 1.00 32.13 H new ATOM 0 HB3 ASP A 90 0.956 10.607 11.465 1.00 32.13 H new ATOM 1351 N GLY A 91 0.948 12.126 8.833 1.00 52.53 N ATOM 1352 CA GLY A 91 1.779 13.045 8.084 1.00 33.24 C ATOM 1353 C GLY A 91 1.095 13.584 6.834 1.00 15.32 C ATOM 1354 O GLY A 91 1.615 14.505 6.182 1.00 14.41 O ATOM 0 H GLY A 91 1.087 11.143 8.598 1.00 52.53 H new ATOM 0 HA2 GLY A 91 2.058 13.880 8.727 1.00 33.24 H new ATOM 0 HA3 GLY A 91 2.702 12.541 7.797 1.00 33.24 H new ATOM 1358 N GLY A 92 -0.054 13.015 6.496 1.00 73.21 N ATOM 1359 CA GLY A 92 -0.823 13.475 5.349 1.00 3.52 C ATOM 1360 C GLY A 92 -0.416 12.799 4.054 1.00 41.43 C ATOM 1361 O GLY A 92 -0.458 13.406 2.987 1.00 3.40 O ATOM 0 H GLY A 92 -0.474 12.234 7.000 1.00 73.21 H new ATOM 0 HA2 GLY A 92 -1.882 13.292 5.531 1.00 3.52 H new ATOM 0 HA3 GLY A 92 -0.700 14.553 5.244 1.00 3.52 H new ATOM 1365 N TYR A 93 -0.015 11.558 4.140 1.00 41.30 N ATOM 1366 CA TYR A 93 0.414 10.807 2.977 1.00 1.14 C ATOM 1367 C TYR A 93 -0.698 9.909 2.454 1.00 4.30 C ATOM 1368 O TYR A 93 -1.328 9.182 3.214 1.00 44.53 O ATOM 1369 CB TYR A 93 1.675 9.991 3.288 1.00 14.13 C ATOM 1370 CG TYR A 93 2.939 10.819 3.410 1.00 53.21 C ATOM 1371 CD1 TYR A 93 3.101 11.754 4.423 1.00 3.32 C ATOM 1372 CD2 TYR A 93 3.967 10.662 2.501 1.00 23.10 C ATOM 1373 CE1 TYR A 93 4.245 12.510 4.513 1.00 13.45 C ATOM 1374 CE2 TYR A 93 5.113 11.407 2.587 1.00 51.53 C ATOM 1375 CZ TYR A 93 5.247 12.334 3.590 1.00 63.32 C ATOM 1376 OH TYR A 93 6.388 13.088 3.670 1.00 75.41 O ATOM 0 H TYR A 93 0.026 11.035 5.015 1.00 41.30 H new ATOM 0 HA TYR A 93 0.657 11.523 2.192 1.00 1.14 H new ATOM 0 HB2 TYR A 93 1.520 9.446 4.219 1.00 14.13 H new ATOM 0 HB3 TYR A 93 1.816 9.248 2.503 1.00 14.13 H new ATOM 0 HD1 TYR A 93 2.316 11.889 5.152 1.00 3.32 H new ATOM 0 HD2 TYR A 93 3.865 9.937 1.707 1.00 23.10 H new ATOM 0 HE1 TYR A 93 4.355 13.237 5.304 1.00 13.45 H new ATOM 0 HE2 TYR A 93 5.907 11.266 1.869 1.00 51.53 H new ATOM 0 HH TYR A 93 6.905 12.816 4.456 1.00 75.41 H new ATOM 1386 N ARG A 94 -0.946 9.999 1.160 1.00 70.53 N ATOM 1387 CA ARG A 94 -1.963 9.193 0.491 1.00 65.34 C ATOM 1388 C ARG A 94 -1.386 7.848 0.044 1.00 43.24 C ATOM 1389 O ARG A 94 -0.176 7.632 0.117 1.00 22.02 O ATOM 1390 CB ARG A 94 -2.635 9.912 -0.696 1.00 41.15 C ATOM 1391 CG ARG A 94 -1.755 10.120 -1.920 1.00 4.32 C ATOM 1392 CD ARG A 94 -2.574 10.637 -3.089 1.00 11.13 C ATOM 1393 NE ARG A 94 -3.677 9.721 -3.441 1.00 23.44 N ATOM 1394 CZ ARG A 94 -4.698 10.008 -4.254 1.00 3.42 C ATOM 1395 NH1 ARG A 94 -4.768 11.189 -4.879 1.00 10.21 N ATOM 1396 NH2 ARG A 94 -5.647 9.113 -4.434 1.00 54.31 N ATOM 0 H ARG A 94 -0.448 10.635 0.537 1.00 70.53 H new ATOM 0 HA ARG A 94 -2.745 9.022 1.231 1.00 65.34 H new ATOM 0 HB2 ARG A 94 -3.513 9.340 -0.995 1.00 41.15 H new ATOM 0 HB3 ARG A 94 -2.989 10.885 -0.355 1.00 41.15 H new ATOM 0 HG2 ARG A 94 -0.959 10.827 -1.686 1.00 4.32 H new ATOM 0 HG3 ARG A 94 -1.275 9.180 -2.193 1.00 4.32 H new ATOM 0 HD2 ARG A 94 -2.982 11.617 -2.840 1.00 11.13 H new ATOM 0 HD3 ARG A 94 -1.925 10.772 -3.954 1.00 11.13 H new ATOM 0 HE ARG A 94 -3.658 8.789 -3.028 1.00 23.44 H new ATOM 0 HH11 ARG A 94 -4.036 11.885 -4.738 1.00 10.21 H new ATOM 0 HH12 ARG A 94 -5.554 11.393 -5.497 1.00 10.21 H new ATOM 0 HH21 ARG A 94 -5.597 8.214 -3.956 1.00 54.31 H new ATOM 0 HH22 ARG A 94 -6.432 9.319 -5.052 1.00 54.31 H new ATOM 1410 N ASP A 95 -2.254 6.999 -0.465 1.00 61.32 N ATOM 1411 CA ASP A 95 -1.968 5.605 -0.875 1.00 3.41 C ATOM 1412 C ASP A 95 -0.771 5.516 -1.840 1.00 32.50 C ATOM 1413 O ASP A 95 0.154 4.706 -1.632 1.00 61.14 O ATOM 1414 CB ASP A 95 -3.229 5.081 -1.618 1.00 55.34 C ATOM 1415 CG ASP A 95 -3.583 5.956 -2.844 1.00 11.21 C ATOM 1416 OD1 ASP A 95 -3.893 7.165 -2.652 1.00 63.41 O ATOM 1417 OD2 ASP A 95 -3.420 5.503 -3.996 1.00 14.24 O ATOM 0 H ASP A 95 -3.229 7.256 -0.619 1.00 61.32 H new ATOM 0 HA ASP A 95 -1.725 5.020 0.012 1.00 3.41 H new ATOM 0 HB2 ASP A 95 -3.059 4.054 -1.942 1.00 55.34 H new ATOM 0 HB3 ASP A 95 -4.074 5.062 -0.930 1.00 55.34 H new ATOM 1422 N THR A 96 -0.759 6.381 -2.821 1.00 21.13 N ATOM 1423 CA THR A 96 0.268 6.421 -3.807 1.00 24.52 C ATOM 1424 C THR A 96 1.598 6.797 -3.148 1.00 30.43 C ATOM 1425 O THR A 96 2.631 6.183 -3.404 1.00 0.43 O ATOM 1426 CB THR A 96 -0.120 7.433 -4.892 1.00 55.12 C ATOM 1427 OG1 THR A 96 -1.452 7.116 -5.373 1.00 33.44 O ATOM 1428 CG2 THR A 96 0.868 7.395 -6.048 1.00 11.15 C ATOM 0 H THR A 96 -1.482 7.088 -2.952 1.00 21.13 H new ATOM 0 HA THR A 96 0.386 5.442 -4.271 1.00 24.52 H new ATOM 0 HB THR A 96 -0.103 8.436 -4.466 1.00 55.12 H new ATOM 0 HG1 THR A 96 -1.858 6.441 -4.790 1.00 33.44 H new ATOM 0 HG21 THR A 96 0.571 8.122 -6.804 1.00 11.15 H new ATOM 0 HG22 THR A 96 1.865 7.639 -5.682 1.00 11.15 H new ATOM 0 HG23 THR A 96 0.876 6.397 -6.487 1.00 11.15 H new ATOM 1436 N GLU A 97 1.520 7.754 -2.233 1.00 61.24 N ATOM 1437 CA GLU A 97 2.676 8.270 -1.520 1.00 52.23 C ATOM 1438 C GLU A 97 3.342 7.184 -0.706 1.00 60.01 C ATOM 1439 O GLU A 97 4.565 7.060 -0.725 1.00 34.03 O ATOM 1440 CB GLU A 97 2.267 9.404 -0.592 1.00 55.10 C ATOM 1441 CG GLU A 97 1.798 10.657 -1.284 1.00 65.34 C ATOM 1442 CD GLU A 97 2.923 11.379 -1.969 1.00 34.21 C ATOM 1443 OE1 GLU A 97 3.714 12.043 -1.277 1.00 1.21 O ATOM 1444 OE2 GLU A 97 3.036 11.314 -3.198 1.00 44.54 O ATOM 0 H GLU A 97 0.642 8.197 -1.964 1.00 61.24 H new ATOM 0 HA GLU A 97 3.381 8.641 -2.264 1.00 52.23 H new ATOM 0 HB2 GLU A 97 1.471 9.049 0.062 1.00 55.10 H new ATOM 0 HB3 GLU A 97 3.115 9.655 0.046 1.00 55.10 H new ATOM 0 HG2 GLU A 97 1.033 10.401 -2.017 1.00 65.34 H new ATOM 0 HG3 GLU A 97 1.332 11.321 -0.555 1.00 65.34 H new ATOM 1451 N ILE A 98 2.522 6.364 -0.044 1.00 24.45 N ATOM 1452 CA ILE A 98 3.022 5.309 0.839 1.00 31.21 C ATOM 1453 C ILE A 98 3.863 4.349 0.019 1.00 74.12 C ATOM 1454 O ILE A 98 4.996 4.017 0.371 1.00 13.41 O ATOM 1455 CB ILE A 98 1.864 4.449 1.461 1.00 35.45 C ATOM 1456 CG1 ILE A 98 0.707 5.293 2.005 1.00 43.03 C ATOM 1457 CG2 ILE A 98 2.400 3.551 2.564 1.00 70.14 C ATOM 1458 CD1 ILE A 98 1.095 6.329 3.019 1.00 72.23 C ATOM 0 H ILE A 98 1.505 6.411 -0.104 1.00 24.45 H new ATOM 0 HA ILE A 98 3.581 5.799 1.636 1.00 31.21 H new ATOM 0 HB ILE A 98 1.466 3.845 0.646 1.00 35.45 H new ATOM 0 HG12 ILE A 98 0.217 5.792 1.169 1.00 43.03 H new ATOM 0 HG13 ILE A 98 -0.029 4.626 2.454 1.00 43.03 H new ATOM 0 HG21 ILE A 98 1.584 2.963 2.983 1.00 70.14 H new ATOM 0 HG22 ILE A 98 3.156 2.882 2.153 1.00 70.14 H new ATOM 0 HG23 ILE A 98 2.845 4.164 3.348 1.00 70.14 H new ATOM 0 HD11 ILE A 98 0.207 6.873 3.342 1.00 72.23 H new ATOM 0 HD12 ILE A 98 1.555 5.842 3.879 1.00 72.23 H new ATOM 0 HD13 ILE A 98 1.805 7.026 2.574 1.00 72.23 H new ATOM 1470 N MET A 99 3.316 3.955 -1.109 1.00 12.14 N ATOM 1471 CA MET A 99 3.956 2.984 -1.946 1.00 1.11 C ATOM 1472 C MET A 99 5.152 3.529 -2.712 1.00 65.34 C ATOM 1473 O MET A 99 5.969 2.748 -3.177 1.00 43.10 O ATOM 1474 CB MET A 99 2.959 2.311 -2.866 1.00 64.52 C ATOM 1475 CG MET A 99 1.857 1.630 -2.104 1.00 25.02 C ATOM 1476 SD MET A 99 0.828 0.576 -3.123 1.00 42.43 S ATOM 1477 CE MET A 99 -0.403 0.111 -1.910 1.00 52.22 C ATOM 0 H MET A 99 2.423 4.299 -1.463 1.00 12.14 H new ATOM 0 HA MET A 99 4.363 2.229 -1.273 1.00 1.11 H new ATOM 0 HB2 MET A 99 2.529 3.053 -3.539 1.00 64.52 H new ATOM 0 HB3 MET A 99 3.476 1.579 -3.487 1.00 64.52 H new ATOM 0 HG2 MET A 99 2.295 1.033 -1.304 1.00 25.02 H new ATOM 0 HG3 MET A 99 1.232 2.387 -1.631 1.00 25.02 H new ATOM 0 HE1 MET A 99 -1.390 0.121 -2.372 1.00 52.22 H new ATOM 0 HE2 MET A 99 -0.186 -0.890 -1.537 1.00 52.22 H new ATOM 0 HE3 MET A 99 -0.383 0.819 -1.081 1.00 52.22 H new ATOM 1487 N ARG A 100 5.267 4.857 -2.826 1.00 54.34 N ATOM 1488 CA ARG A 100 6.399 5.478 -3.551 1.00 53.11 C ATOM 1489 C ARG A 100 7.739 5.019 -2.986 1.00 0.22 C ATOM 1490 O ARG A 100 8.502 4.316 -3.656 1.00 64.21 O ATOM 1491 CB ARG A 100 6.315 7.017 -3.547 1.00 62.44 C ATOM 1492 CG ARG A 100 5.165 7.577 -4.370 1.00 12.24 C ATOM 1493 CD ARG A 100 5.053 9.091 -4.245 1.00 52.22 C ATOM 1494 NE ARG A 100 6.219 9.802 -4.777 1.00 34.32 N ATOM 1495 CZ ARG A 100 6.409 11.129 -4.714 1.00 2.11 C ATOM 1496 NH1 ARG A 100 5.491 11.924 -4.165 1.00 51.13 N ATOM 1497 NH2 ARG A 100 7.511 11.656 -5.220 1.00 13.33 N ATOM 0 H ARG A 100 4.602 5.523 -2.433 1.00 54.34 H new ATOM 0 HA ARG A 100 6.327 5.144 -4.586 1.00 53.11 H new ATOM 0 HB2 ARG A 100 6.213 7.362 -2.518 1.00 62.44 H new ATOM 0 HB3 ARG A 100 7.252 7.423 -3.928 1.00 62.44 H new ATOM 0 HG2 ARG A 100 5.306 7.310 -5.417 1.00 12.24 H new ATOM 0 HG3 ARG A 100 4.231 7.117 -4.047 1.00 12.24 H new ATOM 0 HD2 ARG A 100 4.159 9.427 -4.771 1.00 52.22 H new ATOM 0 HD3 ARG A 100 4.923 9.354 -3.195 1.00 52.22 H new ATOM 0 HE ARG A 100 6.943 9.245 -5.231 1.00 34.32 H new ATOM 0 HH11 ARG A 100 4.632 11.525 -3.786 1.00 51.13 H new ATOM 0 HH12 ARG A 100 5.648 12.931 -4.123 1.00 51.13 H new ATOM 0 HH21 ARG A 100 8.211 11.055 -5.655 1.00 13.33 H new ATOM 0 HH22 ARG A 100 7.661 12.664 -5.175 1.00 13.33 H new ATOM 1511 N TRP A 101 8.002 5.378 -1.755 1.00 14.30 N ATOM 1512 CA TRP A 101 9.237 4.993 -1.092 1.00 62.31 C ATOM 1513 C TRP A 101 9.300 3.487 -0.804 1.00 40.42 C ATOM 1514 O TRP A 101 10.377 2.885 -0.835 1.00 44.45 O ATOM 1515 CB TRP A 101 9.507 5.863 0.155 1.00 21.15 C ATOM 1516 CG TRP A 101 8.320 6.057 1.057 1.00 40.33 C ATOM 1517 CD1 TRP A 101 7.429 7.092 1.018 1.00 62.14 C ATOM 1518 CD2 TRP A 101 7.901 5.210 2.127 1.00 5.31 C ATOM 1519 NE1 TRP A 101 6.484 6.932 1.991 1.00 20.55 N ATOM 1520 CE2 TRP A 101 6.750 5.785 2.686 1.00 1.11 C ATOM 1521 CE3 TRP A 101 8.383 4.019 2.666 1.00 42.35 C ATOM 1522 CZ2 TRP A 101 6.078 5.208 3.751 1.00 24.41 C ATOM 1523 CZ3 TRP A 101 7.715 3.453 3.721 1.00 43.24 C ATOM 1524 CH2 TRP A 101 6.574 4.045 4.254 1.00 64.01 C ATOM 0 H TRP A 101 7.375 5.942 -1.181 1.00 14.30 H new ATOM 0 HA TRP A 101 10.054 5.190 -1.787 1.00 62.31 H new ATOM 0 HB2 TRP A 101 10.313 5.408 0.731 1.00 21.15 H new ATOM 0 HB3 TRP A 101 9.861 6.841 -0.171 1.00 21.15 H new ATOM 0 HD1 TRP A 101 7.466 7.916 0.320 1.00 62.14 H new ATOM 0 HE1 TRP A 101 5.705 7.566 2.170 1.00 20.55 H new ATOM 0 HE3 TRP A 101 9.267 3.550 2.260 1.00 42.35 H new ATOM 0 HZ2 TRP A 101 5.192 5.665 4.167 1.00 24.41 H new ATOM 0 HZ3 TRP A 101 8.081 2.530 4.146 1.00 43.24 H new ATOM 0 HH2 TRP A 101 6.072 3.571 5.084 1.00 64.01 H new ATOM 1535 N LEU A 102 8.136 2.892 -0.554 1.00 53.24 N ATOM 1536 CA LEU A 102 8.015 1.461 -0.251 1.00 65.35 C ATOM 1537 C LEU A 102 8.380 0.541 -1.419 1.00 41.33 C ATOM 1538 O LEU A 102 8.987 -0.511 -1.212 1.00 34.53 O ATOM 1539 CB LEU A 102 6.600 1.125 0.228 1.00 13.53 C ATOM 1540 CG LEU A 102 6.318 1.173 1.723 1.00 31.30 C ATOM 1541 CD1 LEU A 102 4.874 0.825 1.985 1.00 21.11 C ATOM 1542 CD2 LEU A 102 7.220 0.212 2.472 1.00 63.01 C ATOM 0 H LEU A 102 7.244 3.388 -0.555 1.00 53.24 H new ATOM 0 HA LEU A 102 8.742 1.275 0.540 1.00 65.35 H new ATOM 0 HB2 LEU A 102 5.910 1.811 -0.263 1.00 13.53 H new ATOM 0 HB3 LEU A 102 6.358 0.122 -0.125 1.00 13.53 H new ATOM 0 HG LEU A 102 6.518 2.184 2.078 1.00 31.30 H new ATOM 0 HD11 LEU A 102 4.680 0.861 3.057 1.00 21.11 H new ATOM 0 HD12 LEU A 102 4.229 1.540 1.475 1.00 21.11 H new ATOM 0 HD13 LEU A 102 4.668 -0.179 1.613 1.00 21.11 H new ATOM 0 HD21 LEU A 102 7.001 0.263 3.538 1.00 63.01 H new ATOM 0 HD22 LEU A 102 7.047 -0.803 2.114 1.00 63.01 H new ATOM 0 HD23 LEU A 102 8.262 0.484 2.302 1.00 63.01 H new ATOM 1554 N PHE A 103 7.993 0.899 -2.618 1.00 43.51 N ATOM 1555 CA PHE A 103 8.221 0.027 -3.763 1.00 51.14 C ATOM 1556 C PHE A 103 9.514 0.257 -4.471 1.00 25.31 C ATOM 1557 O PHE A 103 9.902 -0.570 -5.301 1.00 3.14 O ATOM 1558 CB PHE A 103 7.073 0.054 -4.746 1.00 2.21 C ATOM 1559 CG PHE A 103 5.940 -0.835 -4.374 1.00 14.23 C ATOM 1560 CD1 PHE A 103 5.039 -0.477 -3.397 1.00 31.13 C ATOM 1561 CD2 PHE A 103 5.774 -2.035 -5.028 1.00 10.43 C ATOM 1562 CE1 PHE A 103 3.984 -1.302 -3.085 1.00 40.31 C ATOM 1563 CE2 PHE A 103 4.731 -2.866 -4.717 1.00 12.33 C ATOM 1564 CZ PHE A 103 3.833 -2.501 -3.748 1.00 32.53 C ATOM 0 H PHE A 103 7.522 1.778 -2.834 1.00 43.51 H new ATOM 0 HA PHE A 103 8.285 -0.969 -3.325 1.00 51.14 H new ATOM 0 HB2 PHE A 103 6.706 1.077 -4.833 1.00 2.21 H new ATOM 0 HB3 PHE A 103 7.443 -0.237 -5.729 1.00 2.21 H new ATOM 0 HD1 PHE A 103 5.161 0.459 -2.872 1.00 31.13 H new ATOM 0 HD2 PHE A 103 6.476 -2.325 -5.796 1.00 10.43 H new ATOM 0 HE1 PHE A 103 3.276 -1.011 -2.323 1.00 40.31 H new ATOM 0 HE2 PHE A 103 4.616 -3.807 -5.234 1.00 12.33 H new ATOM 0 HZ PHE A 103 3.007 -3.153 -3.504 1.00 32.53 H new ATOM 1574 N THR A 104 10.173 1.337 -4.161 1.00 44.54 N ATOM 1575 CA THR A 104 11.432 1.651 -4.780 1.00 43.24 C ATOM 1576 C THR A 104 12.539 0.742 -4.201 1.00 10.32 C ATOM 1577 O THR A 104 12.823 0.810 -3.004 1.00 4.12 O ATOM 1578 CB THR A 104 11.783 3.146 -4.557 1.00 2.13 C ATOM 1579 OG1 THR A 104 10.733 3.975 -5.106 1.00 65.22 O ATOM 1580 CG2 THR A 104 13.098 3.510 -5.234 1.00 41.21 C ATOM 0 H THR A 104 9.856 2.023 -3.476 1.00 44.54 H new ATOM 0 HA THR A 104 11.356 1.474 -5.853 1.00 43.24 H new ATOM 0 HB THR A 104 11.882 3.314 -3.484 1.00 2.13 H new ATOM 0 HG1 THR A 104 10.097 4.208 -4.398 1.00 65.22 H new ATOM 0 HG21 THR A 104 13.317 4.563 -5.060 1.00 41.21 H new ATOM 0 HG22 THR A 104 13.901 2.899 -4.821 1.00 41.21 H new ATOM 0 HG23 THR A 104 13.018 3.328 -6.306 1.00 41.21 H new ATOM 1588 N PRO A 105 13.129 -0.156 -5.028 1.00 24.23 N ATOM 1589 CA PRO A 105 14.201 -1.050 -4.589 1.00 75.40 C ATOM 1590 C PRO A 105 15.426 -0.255 -4.190 1.00 41.30 C ATOM 1591 O PRO A 105 15.852 0.662 -4.906 1.00 21.42 O ATOM 1592 CB PRO A 105 14.500 -1.907 -5.827 1.00 25.00 C ATOM 1593 CG PRO A 105 13.309 -1.742 -6.702 1.00 1.21 C ATOM 1594 CD PRO A 105 12.811 -0.358 -6.445 1.00 71.04 C ATOM 0 HA PRO A 105 13.921 -1.646 -3.720 1.00 75.40 H new ATOM 0 HB2 PRO A 105 15.408 -1.573 -6.329 1.00 25.00 H new ATOM 0 HB3 PRO A 105 14.650 -2.952 -5.557 1.00 25.00 H new ATOM 0 HG2 PRO A 105 13.572 -1.875 -7.751 1.00 1.21 H new ATOM 0 HG3 PRO A 105 12.545 -2.483 -6.468 1.00 1.21 H new ATOM 0 HD2 PRO A 105 13.309 0.375 -7.080 1.00 71.04 H new ATOM 0 HD3 PRO A 105 11.741 -0.271 -6.636 1.00 71.04 H new ATOM 1602 N ASP A 106 15.975 -0.575 -3.063 1.00 11.32 N ATOM 1603 CA ASP A 106 17.105 0.157 -2.557 1.00 23.40 C ATOM 1604 C ASP A 106 18.313 -0.732 -2.413 1.00 1.33 C ATOM 1605 O ASP A 106 18.284 -1.701 -1.656 1.00 5.45 O ATOM 1606 CB ASP A 106 16.765 0.801 -1.220 1.00 43.41 C ATOM 1607 CG ASP A 106 17.934 1.516 -0.579 1.00 33.42 C ATOM 1608 OD1 ASP A 106 18.775 2.123 -1.286 1.00 42.22 O ATOM 1609 OD2 ASP A 106 18.036 1.486 0.651 1.00 33.23 O ATOM 0 H ASP A 106 15.662 -1.342 -2.468 1.00 11.32 H new ATOM 0 HA ASP A 106 17.345 0.939 -3.277 1.00 23.40 H new ATOM 0 HB2 ASP A 106 15.950 1.511 -1.364 1.00 43.41 H new ATOM 0 HB3 ASP A 106 16.401 0.033 -0.538 1.00 43.41 H new ATOM 1614 N PRO A 107 19.398 -0.428 -3.150 1.00 63.51 N ATOM 1615 CA PRO A 107 20.663 -1.172 -3.066 1.00 33.41 C ATOM 1616 C PRO A 107 21.261 -1.117 -1.670 1.00 55.43 C ATOM 1617 O PRO A 107 22.006 -2.009 -1.257 1.00 55.30 O ATOM 1618 CB PRO A 107 21.586 -0.450 -4.049 1.00 70.34 C ATOM 1619 CG PRO A 107 20.680 0.300 -4.951 1.00 10.43 C ATOM 1620 CD PRO A 107 19.477 0.662 -4.142 1.00 35.41 C ATOM 0 HA PRO A 107 20.521 -2.228 -3.294 1.00 33.41 H new ATOM 0 HB2 PRO A 107 22.268 0.222 -3.528 1.00 70.34 H new ATOM 0 HB3 PRO A 107 22.199 -1.158 -4.606 1.00 70.34 H new ATOM 0 HG2 PRO A 107 21.170 1.193 -5.337 1.00 10.43 H new ATOM 0 HG3 PRO A 107 20.400 -0.307 -5.812 1.00 10.43 H new ATOM 0 HD2 PRO A 107 19.591 1.635 -3.663 1.00 35.41 H new ATOM 0 HD3 PRO A 107 18.578 0.713 -4.757 1.00 35.41 H new ATOM 1628 N SER A 108 20.908 -0.080 -0.942 1.00 35.44 N ATOM 1629 CA SER A 108 21.411 0.137 0.397 1.00 12.13 C ATOM 1630 C SER A 108 20.667 -0.760 1.392 1.00 3.33 C ATOM 1631 O SER A 108 21.056 -0.880 2.558 1.00 32.53 O ATOM 1632 CB SER A 108 21.195 1.600 0.762 1.00 3.15 C ATOM 1633 OG SER A 108 21.396 2.426 -0.388 1.00 64.34 O ATOM 0 H SER A 108 20.261 0.640 -1.264 1.00 35.44 H new ATOM 0 HA SER A 108 22.472 -0.108 0.437 1.00 12.13 H new ATOM 0 HB2 SER A 108 20.186 1.741 1.150 1.00 3.15 H new ATOM 0 HB3 SER A 108 21.885 1.891 1.554 1.00 3.15 H new ATOM 0 HG SER A 108 20.545 2.544 -0.859 1.00 64.34 H new ATOM 1639 N LEU A 109 19.606 -1.388 0.929 1.00 42.04 N ATOM 1640 CA LEU A 109 18.793 -2.215 1.760 1.00 41.35 C ATOM 1641 C LEU A 109 18.954 -3.684 1.378 1.00 2.23 C ATOM 1642 O LEU A 109 18.867 -4.058 0.202 1.00 4.21 O ATOM 1643 CB LEU A 109 17.336 -1.761 1.665 1.00 73.40 C ATOM 1644 CG LEU A 109 16.320 -2.472 2.552 1.00 74.34 C ATOM 1645 CD1 LEU A 109 16.717 -2.388 4.012 1.00 15.25 C ATOM 1646 CD2 LEU A 109 14.957 -1.861 2.353 1.00 71.55 C ATOM 0 H LEU A 109 19.292 -1.331 -0.040 1.00 42.04 H new ATOM 0 HA LEU A 109 19.115 -2.116 2.797 1.00 41.35 H new ATOM 0 HB2 LEU A 109 17.299 -0.697 1.897 1.00 73.40 H new ATOM 0 HB3 LEU A 109 17.015 -1.873 0.629 1.00 73.40 H new ATOM 0 HG LEU A 109 16.293 -3.524 2.269 1.00 74.34 H new ATOM 0 HD11 LEU A 109 15.974 -2.903 4.621 1.00 15.25 H new ATOM 0 HD12 LEU A 109 17.691 -2.858 4.152 1.00 15.25 H new ATOM 0 HD13 LEU A 109 16.772 -1.342 4.315 1.00 15.25 H new ATOM 0 HD21 LEU A 109 14.233 -2.371 2.988 1.00 71.55 H new ATOM 0 HD22 LEU A 109 14.990 -0.804 2.617 1.00 71.55 H new ATOM 0 HD23 LEU A 109 14.661 -1.965 1.309 1.00 71.55 H new ATOM 1658 N THR A 110 19.217 -4.486 2.367 1.00 40.35 N ATOM 1659 CA THR A 110 19.391 -5.901 2.215 1.00 72.41 C ATOM 1660 C THR A 110 18.326 -6.605 3.042 1.00 43.54 C ATOM 1661 O THR A 110 18.181 -6.341 4.240 1.00 62.10 O ATOM 1662 CB THR A 110 20.814 -6.320 2.649 1.00 51.13 C ATOM 1663 OG1 THR A 110 21.779 -5.599 1.849 1.00 52.41 O ATOM 1664 CG2 THR A 110 21.036 -7.810 2.470 1.00 74.53 C ATOM 0 H THR A 110 19.319 -4.165 3.330 1.00 40.35 H new ATOM 0 HA THR A 110 19.279 -6.186 1.169 1.00 72.41 H new ATOM 0 HB THR A 110 20.933 -6.084 3.706 1.00 51.13 H new ATOM 0 HG1 THR A 110 22.085 -6.169 1.113 1.00 52.41 H new ATOM 0 HG21 THR A 110 22.047 -8.068 2.785 1.00 74.53 H new ATOM 0 HG22 THR A 110 20.316 -8.360 3.075 1.00 74.53 H new ATOM 0 HG23 THR A 110 20.905 -8.074 1.421 1.00 74.53 H new ATOM 1672 N ILE A 111 17.572 -7.462 2.398 1.00 61.33 N ATOM 1673 CA ILE A 111 16.419 -8.087 3.000 1.00 41.51 C ATOM 1674 C ILE A 111 16.458 -9.607 2.771 1.00 22.53 C ATOM 1675 O ILE A 111 17.119 -10.084 1.841 1.00 55.22 O ATOM 1676 CB ILE A 111 15.117 -7.480 2.377 1.00 23.14 C ATOM 1677 CG1 ILE A 111 15.095 -5.952 2.542 1.00 70.00 C ATOM 1678 CG2 ILE A 111 13.866 -8.087 2.967 1.00 11.12 C ATOM 1679 CD1 ILE A 111 13.849 -5.277 2.018 1.00 2.00 C ATOM 0 H ILE A 111 17.742 -7.748 1.434 1.00 61.33 H new ATOM 0 HA ILE A 111 16.427 -7.900 4.074 1.00 41.51 H new ATOM 0 HB ILE A 111 15.130 -7.723 1.314 1.00 23.14 H new ATOM 0 HG12 ILE A 111 15.203 -5.713 3.600 1.00 70.00 H new ATOM 0 HG13 ILE A 111 15.961 -5.533 2.030 1.00 70.00 H new ATOM 0 HG21 ILE A 111 12.989 -7.635 2.504 1.00 11.12 H new ATOM 0 HG22 ILE A 111 13.861 -9.161 2.782 1.00 11.12 H new ATOM 0 HG23 ILE A 111 13.844 -7.904 4.041 1.00 11.12 H new ATOM 0 HD11 ILE A 111 13.923 -4.201 2.178 1.00 2.00 H new ATOM 0 HD12 ILE A 111 13.746 -5.479 0.952 1.00 2.00 H new ATOM 0 HD13 ILE A 111 12.977 -5.663 2.546 1.00 2.00 H new ATOM 1691 N THR A 112 15.773 -10.339 3.625 1.00 20.05 N ATOM 1692 CA THR A 112 15.671 -11.778 3.569 1.00 12.43 C ATOM 1693 C THR A 112 14.208 -12.191 3.797 1.00 3.34 C ATOM 1694 O THR A 112 13.543 -11.639 4.673 1.00 75.44 O ATOM 1695 CB THR A 112 16.566 -12.409 4.664 1.00 43.44 C ATOM 1696 OG1 THR A 112 16.354 -11.732 5.920 1.00 50.11 O ATOM 1697 CG2 THR A 112 18.020 -12.305 4.290 1.00 24.22 C ATOM 0 H THR A 112 15.255 -9.932 4.403 1.00 20.05 H new ATOM 0 HA THR A 112 16.002 -12.128 2.592 1.00 12.43 H new ATOM 0 HB THR A 112 16.298 -13.461 4.758 1.00 43.44 H new ATOM 0 HG1 THR A 112 16.921 -12.136 6.609 1.00 50.11 H new ATOM 0 HG21 THR A 112 18.630 -12.754 5.073 1.00 24.22 H new ATOM 0 HG22 THR A 112 18.192 -12.829 3.350 1.00 24.22 H new ATOM 0 HG23 THR A 112 18.292 -11.256 4.175 1.00 24.22 H new ATOM 1705 N ARG A 113 13.698 -13.118 3.005 1.00 1.43 N ATOM 1706 CA ARG A 113 12.319 -13.580 3.177 1.00 13.04 C ATOM 1707 C ARG A 113 12.296 -14.963 3.773 1.00 45.54 C ATOM 1708 O ARG A 113 13.316 -15.653 3.796 1.00 34.54 O ATOM 1709 CB ARG A 113 11.514 -13.604 1.870 1.00 64.23 C ATOM 1710 CG ARG A 113 11.081 -12.258 1.315 1.00 1.11 C ATOM 1711 CD ARG A 113 10.103 -12.484 0.167 1.00 74.34 C ATOM 1712 NE ARG A 113 9.570 -11.246 -0.406 1.00 75.13 N ATOM 1713 CZ ARG A 113 8.390 -11.139 -1.038 1.00 43.04 C ATOM 1714 NH1 ARG A 113 7.541 -12.167 -1.081 1.00 11.02 N ATOM 1715 NH2 ARG A 113 8.063 -9.996 -1.603 1.00 23.10 N ATOM 0 H ARG A 113 14.206 -13.566 2.242 1.00 1.43 H new ATOM 0 HA ARG A 113 11.850 -12.858 3.846 1.00 13.04 H new ATOM 0 HB2 ARG A 113 12.111 -14.110 1.111 1.00 64.23 H new ATOM 0 HB3 ARG A 113 10.622 -14.210 2.030 1.00 64.23 H new ATOM 0 HG2 ARG A 113 10.611 -11.662 2.097 1.00 1.11 H new ATOM 0 HG3 ARG A 113 11.949 -11.698 0.965 1.00 1.11 H new ATOM 0 HD2 ARG A 113 10.603 -13.051 -0.618 1.00 74.34 H new ATOM 0 HD3 ARG A 113 9.274 -13.095 0.523 1.00 74.34 H new ATOM 0 HE ARG A 113 10.137 -10.403 -0.319 1.00 75.13 H new ATOM 0 HH11 ARG A 113 7.785 -13.049 -0.630 1.00 11.02 H new ATOM 0 HH12 ARG A 113 6.648 -12.071 -1.565 1.00 11.02 H new ATOM 0 HH21 ARG A 113 8.703 -9.203 -1.558 1.00 23.10 H new ATOM 0 HH22 ARG A 113 7.169 -9.903 -2.086 1.00 23.10 H new ATOM 1729 N ASP A 114 11.146 -15.366 4.244 1.00 33.11 N ATOM 1730 CA ASP A 114 10.951 -16.693 4.807 1.00 43.14 C ATOM 1731 C ASP A 114 10.994 -17.704 3.690 1.00 33.52 C ATOM 1732 O ASP A 114 10.075 -17.784 2.877 1.00 2.14 O ATOM 1733 CB ASP A 114 9.618 -16.787 5.574 1.00 62.04 C ATOM 1734 CG ASP A 114 9.582 -15.935 6.828 1.00 70.15 C ATOM 1735 OD1 ASP A 114 9.376 -14.700 6.734 1.00 23.34 O ATOM 1736 OD2 ASP A 114 9.777 -16.478 7.937 1.00 30.23 O ATOM 0 H ASP A 114 10.307 -14.786 4.252 1.00 33.11 H new ATOM 0 HA ASP A 114 11.748 -16.898 5.522 1.00 43.14 H new ATOM 0 HB2 ASP A 114 8.806 -16.483 4.914 1.00 62.04 H new ATOM 0 HB3 ASP A 114 9.436 -17.827 5.845 1.00 62.04 H new ATOM 1741 N GLY A 115 12.086 -18.421 3.616 1.00 41.33 N ATOM 1742 CA GLY A 115 12.296 -19.366 2.550 1.00 72.44 C ATOM 1743 C GLY A 115 13.598 -19.071 1.834 1.00 20.12 C ATOM 1744 O GLY A 115 14.148 -19.913 1.133 1.00 24.32 O ATOM 0 H GLY A 115 12.851 -18.367 4.289 1.00 41.33 H new ATOM 0 HA2 GLY A 115 12.316 -20.379 2.952 1.00 72.44 H new ATOM 0 HA3 GLY A 115 11.466 -19.319 1.845 1.00 72.44 H new ATOM 1748 N SER A 116 14.097 -17.874 2.024 1.00 1.10 N ATOM 1749 CA SER A 116 15.346 -17.456 1.442 1.00 74.10 C ATOM 1750 C SER A 116 16.211 -16.840 2.532 1.00 34.11 C ATOM 1751 O SER A 116 16.077 -15.656 2.853 1.00 72.20 O ATOM 1752 CB SER A 116 15.100 -16.456 0.295 1.00 31.10 C ATOM 1753 OG SER A 116 14.260 -17.034 -0.710 1.00 75.13 O ATOM 0 H SER A 116 13.643 -17.158 2.591 1.00 1.10 H new ATOM 0 HA SER A 116 15.863 -18.317 1.018 1.00 74.10 H new ATOM 0 HB2 SER A 116 14.635 -15.552 0.688 1.00 31.10 H new ATOM 0 HB3 SER A 116 16.052 -16.160 -0.146 1.00 31.10 H new ATOM 0 HG SER A 116 14.114 -16.383 -1.428 1.00 75.13 H new ATOM 1759 N ARG A 117 17.054 -17.666 3.145 1.00 3.14 N ATOM 1760 CA ARG A 117 17.891 -17.219 4.251 1.00 11.40 C ATOM 1761 C ARG A 117 19.076 -16.394 3.767 1.00 33.21 C ATOM 1762 O ARG A 117 19.734 -15.707 4.555 1.00 52.43 O ATOM 1763 CB ARG A 117 18.327 -18.413 5.175 1.00 1.50 C ATOM 1764 CG ARG A 117 19.250 -19.502 4.564 1.00 14.23 C ATOM 1765 CD ARG A 117 20.691 -19.016 4.370 1.00 64.33 C ATOM 1766 NE ARG A 117 21.585 -20.046 3.828 1.00 71.13 N ATOM 1767 CZ ARG A 117 22.666 -19.805 3.073 1.00 5.41 C ATOM 1768 NH1 ARG A 117 22.961 -18.560 2.697 1.00 64.32 N ATOM 1769 NH2 ARG A 117 23.443 -20.807 2.699 1.00 73.04 N ATOM 0 H ARG A 117 17.175 -18.647 2.894 1.00 3.14 H new ATOM 0 HA ARG A 117 17.284 -16.557 4.868 1.00 11.40 H new ATOM 0 HB2 ARG A 117 18.833 -17.995 6.046 1.00 1.50 H new ATOM 0 HB3 ARG A 117 17.423 -18.904 5.536 1.00 1.50 H new ATOM 0 HG2 ARG A 117 19.251 -20.378 5.213 1.00 14.23 H new ATOM 0 HG3 ARG A 117 18.845 -19.818 3.603 1.00 14.23 H new ATOM 0 HD2 ARG A 117 20.690 -18.157 3.699 1.00 64.33 H new ATOM 0 HD3 ARG A 117 21.083 -18.672 5.327 1.00 64.33 H new ATOM 0 HE ARG A 117 21.367 -21.019 4.042 1.00 71.13 H new ATOM 0 HH11 ARG A 117 22.363 -17.785 2.984 1.00 64.32 H new ATOM 0 HH12 ARG A 117 23.785 -18.382 2.122 1.00 64.32 H new ATOM 0 HH21 ARG A 117 23.219 -21.760 2.985 1.00 73.04 H new ATOM 0 HH22 ARG A 117 24.266 -20.627 2.124 1.00 73.04 H new ATOM 1783 N ASP A 118 19.372 -16.496 2.490 1.00 52.12 N ATOM 1784 CA ASP A 118 20.466 -15.753 1.909 1.00 41.13 C ATOM 1785 C ASP A 118 20.084 -14.301 1.801 1.00 32.02 C ATOM 1786 O ASP A 118 18.941 -13.972 1.471 1.00 20.31 O ATOM 1787 CB ASP A 118 20.864 -16.317 0.552 1.00 74.01 C ATOM 1788 CG ASP A 118 22.087 -15.650 -0.018 1.00 60.52 C ATOM 1789 OD1 ASP A 118 23.126 -15.632 0.665 1.00 15.23 O ATOM 1790 OD2 ASP A 118 22.054 -15.173 -1.168 1.00 52.24 O ATOM 0 H ASP A 118 18.867 -17.090 1.832 1.00 52.12 H new ATOM 0 HA ASP A 118 21.336 -15.846 2.560 1.00 41.13 H new ATOM 0 HB2 ASP A 118 21.050 -17.387 0.648 1.00 74.01 H new ATOM 0 HB3 ASP A 118 20.033 -16.199 -0.144 1.00 74.01 H new ATOM 1795 N ALA A 119 21.021 -13.446 2.086 1.00 3.12 N ATOM 1796 CA ALA A 119 20.765 -12.028 2.138 1.00 32.44 C ATOM 1797 C ALA A 119 20.679 -11.449 0.748 1.00 4.22 C ATOM 1798 O ALA A 119 21.616 -11.571 -0.048 1.00 24.42 O ATOM 1799 CB ALA A 119 21.849 -11.334 2.942 1.00 71.20 C ATOM 0 H ALA A 119 21.986 -13.707 2.290 1.00 3.12 H new ATOM 0 HA ALA A 119 19.806 -11.865 2.630 1.00 32.44 H new ATOM 0 HB1 ALA A 119 21.648 -10.263 2.976 1.00 71.20 H new ATOM 0 HB2 ALA A 119 21.862 -11.733 3.956 1.00 71.20 H new ATOM 0 HB3 ALA A 119 22.817 -11.506 2.472 1.00 71.20 H new ATOM 1805 N VAL A 120 19.580 -10.805 0.456 1.00 70.13 N ATOM 1806 CA VAL A 120 19.385 -10.221 -0.840 1.00 42.10 C ATOM 1807 C VAL A 120 19.523 -8.719 -0.734 1.00 10.22 C ATOM 1808 O VAL A 120 18.756 -8.067 -0.021 1.00 21.55 O ATOM 1809 CB VAL A 120 17.980 -10.565 -1.413 1.00 21.24 C ATOM 1810 CG1 VAL A 120 17.788 -9.965 -2.803 1.00 0.43 C ATOM 1811 CG2 VAL A 120 17.756 -12.073 -1.445 1.00 15.33 C ATOM 0 H VAL A 120 18.803 -10.672 1.104 1.00 70.13 H new ATOM 0 HA VAL A 120 20.138 -10.628 -1.514 1.00 42.10 H new ATOM 0 HB VAL A 120 17.237 -10.123 -0.749 1.00 21.24 H new ATOM 0 HG11 VAL A 120 16.797 -10.223 -3.177 1.00 0.43 H new ATOM 0 HG12 VAL A 120 17.884 -8.881 -2.748 1.00 0.43 H new ATOM 0 HG13 VAL A 120 18.545 -10.363 -3.479 1.00 0.43 H new ATOM 0 HG21 VAL A 120 16.766 -12.285 -1.850 1.00 15.33 H new ATOM 0 HG22 VAL A 120 18.513 -12.540 -2.074 1.00 15.33 H new ATOM 0 HG23 VAL A 120 17.828 -12.473 -0.434 1.00 15.33 H new ATOM 1821 N SER A 121 20.487 -8.182 -1.409 1.00 2.03 N ATOM 1822 CA SER A 121 20.687 -6.768 -1.433 1.00 42.51 C ATOM 1823 C SER A 121 19.905 -6.188 -2.586 1.00 60.12 C ATOM 1824 O SER A 121 19.773 -6.837 -3.630 1.00 53.31 O ATOM 1825 CB SER A 121 22.179 -6.449 -1.520 1.00 33.20 C ATOM 1826 OG SER A 121 22.862 -6.989 -0.381 1.00 0.10 O ATOM 0 H SER A 121 21.161 -8.713 -1.961 1.00 2.03 H new ATOM 0 HA SER A 121 20.323 -6.313 -0.512 1.00 42.51 H new ATOM 0 HB2 SER A 121 22.596 -6.867 -2.436 1.00 33.20 H new ATOM 0 HB3 SER A 121 22.327 -5.370 -1.565 1.00 33.20 H new ATOM 0 HG SER A 121 23.818 -6.782 -0.444 1.00 0.10 H new ATOM 1832 N ASN A 122 19.349 -5.015 -2.367 1.00 30.23 N ATOM 1833 CA ASN A 122 18.501 -4.323 -3.325 1.00 72.44 C ATOM 1834 C ASN A 122 17.138 -4.980 -3.394 1.00 54.13 C ATOM 1835 O ASN A 122 16.843 -5.768 -4.297 1.00 11.23 O ATOM 1836 CB ASN A 122 19.138 -4.147 -4.742 1.00 14.44 C ATOM 1837 CG ASN A 122 18.244 -3.378 -5.725 1.00 71.44 C ATOM 1838 OD1 ASN A 122 18.289 -2.153 -5.796 1.00 14.25 O ATOM 1839 ND2 ASN A 122 17.455 -4.086 -6.498 1.00 11.10 N ATOM 0 H ASN A 122 19.475 -4.500 -1.496 1.00 30.23 H new ATOM 0 HA ASN A 122 18.385 -3.306 -2.951 1.00 72.44 H new ATOM 0 HB2 ASN A 122 20.088 -3.623 -4.642 1.00 14.44 H new ATOM 0 HB3 ASN A 122 19.359 -5.130 -5.157 1.00 14.44 H new ATOM 0 HD21 ASN A 122 16.858 -3.620 -7.181 1.00 11.10 H new ATOM 0 HD22 ASN A 122 17.439 -5.103 -6.416 1.00 11.10 H new ATOM 1846 N ALA A 123 16.373 -4.785 -2.361 1.00 63.15 N ATOM 1847 CA ALA A 123 15.012 -5.185 -2.368 1.00 23.41 C ATOM 1848 C ALA A 123 14.199 -3.953 -2.065 1.00 53.43 C ATOM 1849 O ALA A 123 14.777 -2.890 -1.765 1.00 61.31 O ATOM 1850 CB ALA A 123 14.776 -6.284 -1.349 1.00 34.13 C ATOM 0 H ALA A 123 16.682 -4.344 -1.495 1.00 63.15 H new ATOM 0 HA ALA A 123 14.721 -5.598 -3.334 1.00 23.41 H new ATOM 0 HB1 ALA A 123 13.727 -6.579 -1.368 1.00 34.13 H new ATOM 0 HB2 ALA A 123 15.399 -7.145 -1.591 1.00 34.13 H new ATOM 0 HB3 ALA A 123 15.032 -5.919 -0.354 1.00 34.13 H new ATOM 1856 N ARG A 124 12.909 -4.047 -2.159 1.00 23.13 N ATOM 1857 CA ARG A 124 12.088 -2.908 -1.890 1.00 42.31 C ATOM 1858 C ARG A 124 11.698 -2.974 -0.419 1.00 33.31 C ATOM 1859 O ARG A 124 11.518 -4.068 0.107 1.00 73.34 O ATOM 1860 CB ARG A 124 10.851 -2.888 -2.823 1.00 5.40 C ATOM 1861 CG ARG A 124 9.719 -3.834 -2.440 1.00 3.15 C ATOM 1862 CD ARG A 124 8.656 -3.904 -3.524 1.00 14.30 C ATOM 1863 NE ARG A 124 9.038 -4.801 -4.621 1.00 52.43 N ATOM 1864 CZ ARG A 124 9.167 -4.472 -5.915 1.00 5.43 C ATOM 1865 NH1 ARG A 124 9.266 -3.190 -6.286 1.00 70.31 N ATOM 1866 NH2 ARG A 124 9.270 -5.435 -6.832 1.00 34.55 N ATOM 0 H ARG A 124 12.404 -4.895 -2.418 1.00 23.13 H new ATOM 0 HA ARG A 124 12.626 -1.981 -2.087 1.00 42.31 H new ATOM 0 HB2 ARG A 124 10.457 -1.872 -2.852 1.00 5.40 H new ATOM 0 HB3 ARG A 124 11.177 -3.132 -3.834 1.00 5.40 H new ATOM 0 HG2 ARG A 124 10.122 -4.831 -2.260 1.00 3.15 H new ATOM 0 HG3 ARG A 124 9.266 -3.501 -1.506 1.00 3.15 H new ATOM 0 HD2 ARG A 124 7.717 -4.246 -3.088 1.00 14.30 H new ATOM 0 HD3 ARG A 124 8.478 -2.904 -3.920 1.00 14.30 H new ATOM 0 HE ARG A 124 9.224 -5.773 -4.374 1.00 52.43 H new ATOM 0 HH11 ARG A 124 9.244 -2.452 -5.582 1.00 70.31 H new ATOM 0 HH12 ARG A 124 9.364 -2.951 -7.273 1.00 70.31 H new ATOM 0 HH21 ARG A 124 9.250 -6.414 -6.548 1.00 34.55 H new ATOM 0 HH22 ARG A 124 9.368 -5.192 -7.818 1.00 34.55 H new ATOM 1880 N PRO A 125 11.602 -1.830 0.278 1.00 1.42 N ATOM 1881 CA PRO A 125 11.255 -1.781 1.712 1.00 72.45 C ATOM 1882 C PRO A 125 10.007 -2.606 2.109 1.00 51.20 C ATOM 1883 O PRO A 125 9.902 -3.047 3.249 1.00 33.53 O ATOM 1884 CB PRO A 125 11.021 -0.295 1.962 1.00 50.34 C ATOM 1885 CG PRO A 125 11.918 0.382 0.991 1.00 63.31 C ATOM 1886 CD PRO A 125 11.906 -0.476 -0.245 1.00 20.23 C ATOM 0 HA PRO A 125 12.047 -2.227 2.314 1.00 72.45 H new ATOM 0 HB2 PRO A 125 9.978 -0.023 1.798 1.00 50.34 H new ATOM 0 HB3 PRO A 125 11.265 -0.020 2.988 1.00 50.34 H new ATOM 0 HG2 PRO A 125 11.566 1.390 0.771 1.00 63.31 H new ATOM 0 HG3 PRO A 125 12.927 0.477 1.391 1.00 63.31 H new ATOM 0 HD2 PRO A 125 11.152 -0.142 -0.958 1.00 20.23 H new ATOM 0 HD3 PRO A 125 12.866 -0.451 -0.761 1.00 20.23 H new ATOM 1894 N VAL A 126 9.080 -2.839 1.175 1.00 45.13 N ATOM 1895 CA VAL A 126 7.894 -3.653 1.491 1.00 34.31 C ATOM 1896 C VAL A 126 8.317 -5.096 1.833 1.00 25.02 C ATOM 1897 O VAL A 126 7.715 -5.749 2.693 1.00 44.42 O ATOM 1898 CB VAL A 126 6.854 -3.716 0.345 1.00 42.23 C ATOM 1899 CG1 VAL A 126 5.571 -4.320 0.865 1.00 10.22 C ATOM 1900 CG2 VAL A 126 6.571 -2.363 -0.243 1.00 31.51 C ATOM 0 H VAL A 126 9.120 -2.488 0.218 1.00 45.13 H new ATOM 0 HA VAL A 126 7.421 -3.162 2.341 1.00 34.31 H new ATOM 0 HB VAL A 126 7.273 -4.336 -0.448 1.00 42.23 H new ATOM 0 HG11 VAL A 126 4.838 -4.365 0.060 1.00 10.22 H new ATOM 0 HG12 VAL A 126 5.766 -5.327 1.235 1.00 10.22 H new ATOM 0 HG13 VAL A 126 5.182 -3.705 1.676 1.00 10.22 H new ATOM 0 HG21 VAL A 126 5.836 -2.460 -1.042 1.00 31.51 H new ATOM 0 HG22 VAL A 126 6.179 -1.704 0.532 1.00 31.51 H new ATOM 0 HG23 VAL A 126 7.492 -1.942 -0.646 1.00 31.51 H new ATOM 1910 N ASP A 127 9.398 -5.563 1.196 1.00 4.13 N ATOM 1911 CA ASP A 127 9.924 -6.913 1.438 1.00 32.10 C ATOM 1912 C ASP A 127 10.323 -7.071 2.885 1.00 51.20 C ATOM 1913 O ASP A 127 10.209 -8.148 3.451 1.00 14.44 O ATOM 1914 CB ASP A 127 11.137 -7.256 0.539 1.00 44.05 C ATOM 1915 CG ASP A 127 10.788 -7.541 -0.900 1.00 64.23 C ATOM 1916 OD1 ASP A 127 10.370 -8.671 -1.197 1.00 20.32 O ATOM 1917 OD2 ASP A 127 10.939 -6.660 -1.775 1.00 53.13 O ATOM 0 H ASP A 127 9.926 -5.026 0.508 1.00 4.13 H new ATOM 0 HA ASP A 127 9.119 -7.605 1.189 1.00 32.10 H new ATOM 0 HB2 ASP A 127 11.843 -6.426 0.571 1.00 44.05 H new ATOM 0 HB3 ASP A 127 11.647 -8.125 0.955 1.00 44.05 H new ATOM 1922 N ALA A 128 10.749 -5.972 3.491 1.00 44.25 N ATOM 1923 CA ALA A 128 11.167 -5.973 4.868 1.00 60.41 C ATOM 1924 C ALA A 128 9.981 -6.186 5.801 1.00 42.03 C ATOM 1925 O ALA A 128 10.059 -6.976 6.718 1.00 24.32 O ATOM 1926 CB ALA A 128 11.913 -4.690 5.217 1.00 42.15 C ATOM 0 H ALA A 128 10.811 -5.062 3.035 1.00 44.25 H new ATOM 0 HA ALA A 128 11.855 -6.807 5.005 1.00 60.41 H new ATOM 0 HB1 ALA A 128 12.217 -4.719 6.263 1.00 42.15 H new ATOM 0 HB2 ALA A 128 12.797 -4.600 4.585 1.00 42.15 H new ATOM 0 HB3 ALA A 128 11.260 -3.833 5.052 1.00 42.15 H new ATOM 1932 N LEU A 129 8.868 -5.514 5.548 1.00 74.43 N ATOM 1933 CA LEU A 129 7.695 -5.650 6.419 1.00 70.35 C ATOM 1934 C LEU A 129 7.055 -7.031 6.269 1.00 4.22 C ATOM 1935 O LEU A 129 6.592 -7.621 7.245 1.00 1.35 O ATOM 1936 CB LEU A 129 6.699 -4.484 6.216 1.00 72.32 C ATOM 1937 CG LEU A 129 6.031 -4.359 4.849 1.00 44.31 C ATOM 1938 CD1 LEU A 129 4.784 -5.228 4.764 1.00 12.04 C ATOM 1939 CD2 LEU A 129 5.726 -2.911 4.516 1.00 74.12 C ATOM 0 H LEU A 129 8.746 -4.877 4.761 1.00 74.43 H new ATOM 0 HA LEU A 129 8.026 -5.579 7.455 1.00 70.35 H new ATOM 0 HB2 LEU A 129 5.914 -4.577 6.967 1.00 72.32 H new ATOM 0 HB3 LEU A 129 7.226 -3.552 6.420 1.00 72.32 H new ATOM 0 HG LEU A 129 6.734 -4.724 4.100 1.00 44.31 H new ATOM 0 HD11 LEU A 129 4.330 -5.118 3.779 1.00 12.04 H new ATOM 0 HD12 LEU A 129 5.056 -6.271 4.924 1.00 12.04 H new ATOM 0 HD13 LEU A 129 4.072 -4.918 5.528 1.00 12.04 H new ATOM 0 HD21 LEU A 129 5.251 -2.855 3.537 1.00 74.12 H new ATOM 0 HD22 LEU A 129 5.055 -2.498 5.269 1.00 74.12 H new ATOM 0 HD23 LEU A 129 6.653 -2.338 4.503 1.00 74.12 H new ATOM 1951 N HIS A 130 7.115 -7.564 5.047 1.00 25.42 N ATOM 1952 CA HIS A 130 6.627 -8.913 4.726 1.00 2.05 C ATOM 1953 C HIS A 130 7.522 -9.958 5.427 1.00 73.14 C ATOM 1954 O HIS A 130 7.139 -11.129 5.635 1.00 34.12 O ATOM 1955 CB HIS A 130 6.642 -9.092 3.177 1.00 23.20 C ATOM 1956 CG HIS A 130 6.241 -10.454 2.651 1.00 54.44 C ATOM 1957 ND1 HIS A 130 4.961 -10.799 2.256 1.00 64.25 N ATOM 1958 CD2 HIS A 130 7.000 -11.557 2.427 1.00 43.22 C ATOM 1959 CE1 HIS A 130 4.984 -12.057 1.819 1.00 13.33 C ATOM 1960 NE2 HIS A 130 6.201 -12.570 1.903 1.00 63.55 N ATOM 0 H HIS A 130 7.506 -7.071 4.244 1.00 25.42 H new ATOM 0 HA HIS A 130 5.606 -9.053 5.082 1.00 2.05 H new ATOM 0 HB2 HIS A 130 5.975 -8.348 2.741 1.00 23.20 H new ATOM 0 HB3 HIS A 130 7.647 -8.870 2.817 1.00 23.20 H new ATOM 0 HD1 HIS A 130 4.141 -10.194 2.293 1.00 64.25 H new ATOM 0 HD2 HIS A 130 8.059 -11.636 2.624 1.00 43.22 H new ATOM 0 HE1 HIS A 130 4.122 -12.589 1.445 1.00 13.33 H new ATOM 1968 N ALA A 131 8.694 -9.520 5.794 1.00 51.21 N ATOM 1969 CA ALA A 131 9.669 -10.362 6.468 1.00 50.42 C ATOM 1970 C ALA A 131 9.783 -10.022 7.956 1.00 42.11 C ATOM 1971 O ALA A 131 10.682 -10.503 8.634 1.00 12.15 O ATOM 1972 CB ALA A 131 11.015 -10.219 5.797 1.00 60.32 C ATOM 0 H ALA A 131 9.011 -8.563 5.637 1.00 51.21 H new ATOM 0 HA ALA A 131 9.329 -11.395 6.394 1.00 50.42 H new ATOM 0 HB1 ALA A 131 11.744 -10.851 6.304 1.00 60.32 H new ATOM 0 HB2 ALA A 131 10.935 -10.523 4.753 1.00 60.32 H new ATOM 0 HB3 ALA A 131 11.339 -9.179 5.848 1.00 60.32 H new ATOM 1978 N HIS A 132 8.865 -9.175 8.448 1.00 35.21 N ATOM 1979 CA HIS A 132 8.828 -8.742 9.871 1.00 40.20 C ATOM 1980 C HIS A 132 10.104 -7.981 10.283 1.00 12.04 C ATOM 1981 O HIS A 132 10.474 -7.919 11.453 1.00 24.21 O ATOM 1982 CB HIS A 132 8.533 -9.924 10.820 1.00 2.32 C ATOM 1983 CG HIS A 132 7.140 -10.482 10.676 1.00 34.51 C ATOM 1984 ND1 HIS A 132 6.815 -11.555 9.878 1.00 52.34 N ATOM 1985 CD2 HIS A 132 5.976 -10.088 11.251 1.00 1.35 C ATOM 1986 CE1 HIS A 132 5.510 -11.777 9.978 1.00 4.40 C ATOM 1987 NE2 HIS A 132 4.943 -10.913 10.806 1.00 4.04 N ATOM 0 H HIS A 132 8.124 -8.766 7.878 1.00 35.21 H new ATOM 0 HA HIS A 132 8.001 -8.038 9.964 1.00 40.20 H new ATOM 0 HB2 HIS A 132 9.255 -10.719 10.632 1.00 2.32 H new ATOM 0 HB3 HIS A 132 8.680 -9.598 11.850 1.00 2.32 H new ATOM 0 HD2 HIS A 132 5.867 -9.266 11.943 1.00 1.35 H new ATOM 0 HE1 HIS A 132 4.981 -12.559 9.453 1.00 4.40 H new ATOM 0 HE2 HIS A 132 3.958 -10.862 11.064 1.00 4.04 H new ATOM 1995 N GLN A 133 10.699 -7.338 9.306 1.00 61.01 N ATOM 1996 CA GLN A 133 11.875 -6.473 9.439 1.00 3.41 C ATOM 1997 C GLN A 133 11.401 -5.027 9.295 1.00 72.54 C ATOM 1998 O GLN A 133 12.152 -4.114 8.938 1.00 53.30 O ATOM 1999 CB GLN A 133 12.926 -6.823 8.382 1.00 21.34 C ATOM 2000 CG GLN A 133 13.483 -8.225 8.543 1.00 52.21 C ATOM 2001 CD GLN A 133 14.540 -8.587 7.520 1.00 24.45 C ATOM 2002 OE1 GLN A 133 15.281 -7.729 7.019 1.00 42.24 O ATOM 2003 NE2 GLN A 133 14.624 -9.853 7.211 1.00 31.12 N ATOM 0 H GLN A 133 10.368 -7.399 8.343 1.00 61.01 H new ATOM 0 HA GLN A 133 12.348 -6.614 10.411 1.00 3.41 H new ATOM 0 HB2 GLN A 133 12.483 -6.725 7.391 1.00 21.34 H new ATOM 0 HB3 GLN A 133 13.744 -6.104 8.438 1.00 21.34 H new ATOM 0 HG2 GLN A 133 13.909 -8.324 9.541 1.00 52.21 H new ATOM 0 HG3 GLN A 133 12.664 -8.941 8.474 1.00 52.21 H new ATOM 0 HE21 GLN A 133 13.995 -10.527 7.647 1.00 31.12 H new ATOM 0 HE22 GLN A 133 15.319 -10.168 6.534 1.00 31.12 H new ATOM 2012 N ALA A 134 10.128 -4.870 9.620 1.00 41.52 N ATOM 2013 CA ALA A 134 9.335 -3.655 9.490 1.00 72.24 C ATOM 2014 C ALA A 134 9.968 -2.422 10.130 1.00 0.23 C ATOM 2015 O ALA A 134 9.677 -1.318 9.710 1.00 74.21 O ATOM 2016 CB ALA A 134 7.937 -3.878 10.046 1.00 35.05 C ATOM 0 H ALA A 134 9.583 -5.640 10.008 1.00 41.52 H new ATOM 0 HA ALA A 134 9.286 -3.444 8.422 1.00 72.24 H new ATOM 0 HB1 ALA A 134 7.354 -2.963 9.943 1.00 35.05 H new ATOM 0 HB2 ALA A 134 7.450 -4.682 9.494 1.00 35.05 H new ATOM 0 HB3 ALA A 134 8.003 -4.149 11.100 1.00 35.05 H new ATOM 2022 N ARG A 135 10.802 -2.598 11.148 1.00 64.41 N ATOM 2023 CA ARG A 135 11.424 -1.450 11.824 1.00 42.33 C ATOM 2024 C ARG A 135 12.192 -0.535 10.872 1.00 0.40 C ATOM 2025 O ARG A 135 12.146 0.682 11.030 1.00 53.12 O ATOM 2026 CB ARG A 135 12.326 -1.870 12.969 1.00 34.13 C ATOM 2027 CG ARG A 135 11.600 -2.465 14.165 1.00 54.22 C ATOM 2028 CD ARG A 135 10.497 -1.539 14.687 1.00 12.31 C ATOM 2029 NE ARG A 135 10.989 -0.187 15.012 1.00 32.15 N ATOM 2030 CZ ARG A 135 10.215 0.845 15.401 1.00 10.50 C ATOM 2031 NH1 ARG A 135 8.909 0.682 15.565 1.00 4.11 N ATOM 2032 NH2 ARG A 135 10.762 2.031 15.637 1.00 64.53 N ATOM 0 H ARG A 135 11.065 -3.509 11.525 1.00 64.41 H new ATOM 0 HA ARG A 135 10.588 -0.881 12.231 1.00 42.33 H new ATOM 0 HB2 ARG A 135 13.045 -2.600 12.598 1.00 34.13 H new ATOM 0 HB3 ARG A 135 12.896 -1.002 13.302 1.00 34.13 H new ATOM 0 HG2 ARG A 135 11.165 -3.424 13.884 1.00 54.22 H new ATOM 0 HG3 ARG A 135 12.316 -2.661 14.963 1.00 54.22 H new ATOM 0 HD2 ARG A 135 9.709 -1.463 13.938 1.00 12.31 H new ATOM 0 HD3 ARG A 135 10.049 -1.981 15.577 1.00 12.31 H new ATOM 0 HE ARG A 135 11.992 -0.020 14.936 1.00 32.15 H new ATOM 0 HH11 ARG A 135 8.484 -0.230 15.396 1.00 4.11 H new ATOM 0 HH12 ARG A 135 8.330 1.468 15.860 1.00 4.11 H new ATOM 0 HH21 ARG A 135 11.767 2.161 15.524 1.00 64.53 H new ATOM 0 HH22 ARG A 135 10.177 2.813 15.932 1.00 64.53 H new ATOM 2046 N GLU A 136 12.860 -1.096 9.880 1.00 33.03 N ATOM 2047 CA GLU A 136 13.562 -0.270 8.895 1.00 11.03 C ATOM 2048 C GLU A 136 12.567 0.513 8.045 1.00 31.04 C ATOM 2049 O GLU A 136 12.819 1.649 7.652 1.00 63.44 O ATOM 2050 CB GLU A 136 14.474 -1.114 8.021 1.00 54.04 C ATOM 2051 CG GLU A 136 15.668 -1.684 8.757 1.00 11.04 C ATOM 2052 CD GLU A 136 16.532 -0.612 9.394 1.00 62.41 C ATOM 2053 OE1 GLU A 136 17.363 0.017 8.681 1.00 71.13 O ATOM 2054 OE2 GLU A 136 16.417 -0.395 10.620 1.00 62.54 O ATOM 0 H GLU A 136 12.935 -2.102 9.730 1.00 33.03 H new ATOM 0 HA GLU A 136 14.186 0.442 9.435 1.00 11.03 H new ATOM 0 HB2 GLU A 136 13.896 -1.934 7.594 1.00 54.04 H new ATOM 0 HB3 GLU A 136 14.828 -0.507 7.188 1.00 54.04 H new ATOM 0 HG2 GLU A 136 15.320 -2.370 9.529 1.00 11.04 H new ATOM 0 HG3 GLU A 136 16.273 -2.267 8.062 1.00 11.04 H new ATOM 2061 N VAL A 137 11.415 -0.086 7.822 1.00 74.42 N ATOM 2062 CA VAL A 137 10.335 0.536 7.070 1.00 44.40 C ATOM 2063 C VAL A 137 9.781 1.697 7.885 1.00 21.20 C ATOM 2064 O VAL A 137 9.656 2.811 7.388 1.00 25.25 O ATOM 2065 CB VAL A 137 9.194 -0.475 6.790 1.00 64.31 C ATOM 2066 CG1 VAL A 137 8.079 0.154 5.973 1.00 73.34 C ATOM 2067 CG2 VAL A 137 9.738 -1.710 6.104 1.00 2.32 C ATOM 0 H VAL A 137 11.197 -1.024 8.158 1.00 74.42 H new ATOM 0 HA VAL A 137 10.728 0.884 6.115 1.00 44.40 H new ATOM 0 HB VAL A 137 8.767 -0.771 7.748 1.00 64.31 H new ATOM 0 HG11 VAL A 137 7.297 -0.584 5.796 1.00 73.34 H new ATOM 0 HG12 VAL A 137 7.662 1.001 6.518 1.00 73.34 H new ATOM 0 HG13 VAL A 137 8.477 0.497 5.018 1.00 73.34 H new ATOM 0 HG21 VAL A 137 8.924 -2.410 5.915 1.00 2.32 H new ATOM 0 HG22 VAL A 137 10.201 -1.427 5.158 1.00 2.32 H new ATOM 0 HG23 VAL A 137 10.482 -2.184 6.744 1.00 2.32 H new ATOM 2077 N VAL A 138 9.495 1.418 9.156 1.00 52.23 N ATOM 2078 CA VAL A 138 8.995 2.416 10.097 1.00 4.11 C ATOM 2079 C VAL A 138 9.991 3.568 10.198 1.00 64.32 C ATOM 2080 O VAL A 138 9.613 4.720 10.142 1.00 2.43 O ATOM 2081 CB VAL A 138 8.744 1.803 11.509 1.00 22.10 C ATOM 2082 CG1 VAL A 138 8.235 2.857 12.480 1.00 74.12 C ATOM 2083 CG2 VAL A 138 7.752 0.650 11.430 1.00 33.41 C ATOM 0 H VAL A 138 9.605 0.489 9.562 1.00 52.23 H new ATOM 0 HA VAL A 138 8.040 2.784 9.723 1.00 4.11 H new ATOM 0 HB VAL A 138 9.697 1.423 11.877 1.00 22.10 H new ATOM 0 HG11 VAL A 138 8.068 2.402 13.456 1.00 74.12 H new ATOM 0 HG12 VAL A 138 8.973 3.654 12.572 1.00 74.12 H new ATOM 0 HG13 VAL A 138 7.298 3.272 12.108 1.00 74.12 H new ATOM 0 HG21 VAL A 138 7.593 0.238 12.427 1.00 33.41 H new ATOM 0 HG22 VAL A 138 6.804 1.012 11.031 1.00 33.41 H new ATOM 0 HG23 VAL A 138 8.148 -0.127 10.776 1.00 33.41 H new ATOM 2093 N ARG A 139 11.268 3.220 10.265 1.00 43.13 N ATOM 2094 CA ARG A 139 12.365 4.191 10.333 1.00 42.04 C ATOM 2095 C ARG A 139 12.322 5.148 9.133 1.00 23.51 C ATOM 2096 O ARG A 139 12.386 6.371 9.295 1.00 53.55 O ATOM 2097 CB ARG A 139 13.703 3.434 10.353 1.00 20.13 C ATOM 2098 CG ARG A 139 14.935 4.302 10.206 1.00 33.23 C ATOM 2099 CD ARG A 139 16.183 3.450 10.086 1.00 0.33 C ATOM 2100 NE ARG A 139 17.344 4.255 9.711 1.00 4.12 N ATOM 2101 CZ ARG A 139 18.404 3.797 9.024 1.00 53.33 C ATOM 2102 NH1 ARG A 139 18.535 2.490 8.743 1.00 13.24 N ATOM 2103 NH2 ARG A 139 19.340 4.649 8.624 1.00 65.22 N ATOM 0 H ARG A 139 11.581 2.249 10.274 1.00 43.13 H new ATOM 0 HA ARG A 139 12.260 4.783 11.242 1.00 42.04 H new ATOM 0 HB2 ARG A 139 13.776 2.882 11.290 1.00 20.13 H new ATOM 0 HB3 ARG A 139 13.698 2.698 9.549 1.00 20.13 H new ATOM 0 HG2 ARG A 139 14.836 4.936 9.325 1.00 33.23 H new ATOM 0 HG3 ARG A 139 15.023 4.965 11.067 1.00 33.23 H new ATOM 0 HD2 ARG A 139 16.376 2.950 11.035 1.00 0.33 H new ATOM 0 HD3 ARG A 139 16.023 2.670 9.341 1.00 0.33 H new ATOM 0 HE ARG A 139 17.350 5.236 9.991 1.00 4.12 H new ATOM 0 HH11 ARG A 139 17.823 1.828 9.052 1.00 13.24 H new ATOM 0 HH12 ARG A 139 19.346 2.160 8.220 1.00 13.24 H new ATOM 0 HH21 ARG A 139 19.251 5.642 8.839 1.00 65.22 H new ATOM 0 HH22 ARG A 139 20.148 4.311 8.102 1.00 65.22 H new ATOM 2117 N ARG A 140 12.166 4.584 7.945 1.00 54.22 N ATOM 2118 CA ARG A 140 12.107 5.372 6.729 1.00 14.31 C ATOM 2119 C ARG A 140 10.828 6.196 6.673 1.00 4.01 C ATOM 2120 O ARG A 140 10.825 7.322 6.186 1.00 1.12 O ATOM 2121 CB ARG A 140 12.254 4.484 5.496 1.00 15.52 C ATOM 2122 CG ARG A 140 13.606 3.790 5.428 1.00 61.32 C ATOM 2123 CD ARG A 140 13.741 2.963 4.175 1.00 23.52 C ATOM 2124 NE ARG A 140 15.043 2.280 4.107 1.00 73.33 N ATOM 2125 CZ ARG A 140 15.734 2.028 2.981 1.00 61.14 C ATOM 2126 NH1 ARG A 140 15.237 2.354 1.788 1.00 35.44 N ATOM 2127 NH2 ARG A 140 16.920 1.442 3.047 1.00 54.04 N ATOM 0 H ARG A 140 12.078 3.578 7.800 1.00 54.22 H new ATOM 0 HA ARG A 140 12.946 6.068 6.736 1.00 14.31 H new ATOM 0 HB2 ARG A 140 11.465 3.732 5.499 1.00 15.52 H new ATOM 0 HB3 ARG A 140 12.115 5.089 4.600 1.00 15.52 H new ATOM 0 HG2 ARG A 140 14.401 4.535 5.460 1.00 61.32 H new ATOM 0 HG3 ARG A 140 13.732 3.151 6.302 1.00 61.32 H new ATOM 0 HD2 ARG A 140 12.941 2.224 4.140 1.00 23.52 H new ATOM 0 HD3 ARG A 140 13.621 3.604 3.302 1.00 23.52 H new ATOM 0 HE ARG A 140 15.456 1.972 4.987 1.00 73.33 H new ATOM 0 HH11 ARG A 140 14.322 2.800 1.721 1.00 35.44 H new ATOM 0 HH12 ARG A 140 15.771 2.157 0.942 1.00 35.44 H new ATOM 0 HH21 ARG A 140 17.310 1.181 3.953 1.00 54.04 H new ATOM 0 HH22 ARG A 140 17.443 1.251 2.192 1.00 54.04 H new ATOM 2141 N ALA A 141 9.759 5.644 7.209 1.00 12.55 N ATOM 2142 CA ALA A 141 8.475 6.317 7.255 1.00 11.51 C ATOM 2143 C ALA A 141 8.525 7.528 8.191 1.00 13.03 C ATOM 2144 O ALA A 141 8.077 8.621 7.826 1.00 75.53 O ATOM 2145 CB ALA A 141 7.405 5.352 7.708 1.00 65.32 C ATOM 0 H ALA A 141 9.755 4.713 7.626 1.00 12.55 H new ATOM 0 HA ALA A 141 8.236 6.673 6.253 1.00 11.51 H new ATOM 0 HB1 ALA A 141 6.443 5.864 7.740 1.00 65.32 H new ATOM 0 HB2 ALA A 141 7.348 4.517 7.009 1.00 65.32 H new ATOM 0 HB3 ALA A 141 7.650 4.977 8.702 1.00 65.32 H new ATOM 2151 N GLN A 142 9.091 7.332 9.384 1.00 45.40 N ATOM 2152 CA GLN A 142 9.253 8.405 10.383 1.00 21.05 C ATOM 2153 C GLN A 142 10.101 9.532 9.806 1.00 35.11 C ATOM 2154 O GLN A 142 9.819 10.717 10.019 1.00 71.43 O ATOM 2155 CB GLN A 142 9.938 7.877 11.661 1.00 70.11 C ATOM 2156 CG GLN A 142 9.213 6.733 12.368 1.00 71.12 C ATOM 2157 CD GLN A 142 7.845 7.096 12.919 1.00 14.54 C ATOM 2158 OE1 GLN A 142 6.953 6.263 12.965 1.00 54.31 O ATOM 2159 NE2 GLN A 142 7.685 8.301 13.405 1.00 51.21 N ATOM 0 H GLN A 142 9.451 6.428 9.690 1.00 45.40 H new ATOM 0 HA GLN A 142 8.259 8.773 10.637 1.00 21.05 H new ATOM 0 HB2 GLN A 142 10.943 7.543 11.403 1.00 70.11 H new ATOM 0 HB3 GLN A 142 10.047 8.704 12.363 1.00 70.11 H new ATOM 0 HG2 GLN A 142 9.100 5.905 11.669 1.00 71.12 H new ATOM 0 HG3 GLN A 142 9.837 6.376 13.187 1.00 71.12 H new ATOM 0 HE21 GLN A 142 8.447 8.977 13.353 1.00 51.21 H new ATOM 0 HE22 GLN A 142 6.798 8.564 13.835 1.00 51.21 H new ATOM 2168 N ALA A 143 11.132 9.148 9.071 1.00 4.14 N ATOM 2169 CA ALA A 143 12.047 10.088 8.441 1.00 1.53 C ATOM 2170 C ALA A 143 11.368 10.842 7.303 1.00 3.11 C ATOM 2171 O ALA A 143 11.687 11.994 7.028 1.00 0.43 O ATOM 2172 CB ALA A 143 13.267 9.348 7.920 1.00 42.11 C ATOM 0 H ALA A 143 11.360 8.170 8.893 1.00 4.14 H new ATOM 0 HA ALA A 143 12.356 10.817 9.190 1.00 1.53 H new ATOM 0 HB1 ALA A 143 13.949 10.056 7.449 1.00 42.11 H new ATOM 0 HB2 ALA A 143 13.773 8.853 8.748 1.00 42.11 H new ATOM 0 HB3 ALA A 143 12.955 8.603 7.188 1.00 42.11 H new ATOM 2178 N MET A 144 10.433 10.194 6.660 1.00 3.34 N ATOM 2179 CA MET A 144 9.736 10.780 5.536 1.00 11.44 C ATOM 2180 C MET A 144 8.671 11.774 6.011 1.00 41.04 C ATOM 2181 O MET A 144 8.630 12.919 5.555 1.00 11.41 O ATOM 2182 CB MET A 144 9.077 9.665 4.708 1.00 71.42 C ATOM 2183 CG MET A 144 8.425 10.120 3.406 1.00 24.22 C ATOM 2184 SD MET A 144 9.609 10.765 2.199 1.00 43.50 S ATOM 2185 CE MET A 144 10.654 9.322 1.935 1.00 75.25 C ATOM 0 H MET A 144 10.131 9.249 6.896 1.00 3.34 H new ATOM 0 HA MET A 144 10.456 11.320 4.921 1.00 11.44 H new ATOM 0 HB2 MET A 144 9.832 8.914 4.474 1.00 71.42 H new ATOM 0 HB3 MET A 144 8.321 9.177 5.323 1.00 71.42 H new ATOM 0 HG2 MET A 144 7.887 9.281 2.964 1.00 24.22 H new ATOM 0 HG3 MET A 144 7.687 10.891 3.628 1.00 24.22 H new ATOM 0 HE1 MET A 144 11.189 9.428 0.991 1.00 75.25 H new ATOM 0 HE2 MET A 144 11.371 9.238 2.752 1.00 75.25 H new ATOM 0 HE3 MET A 144 10.035 8.426 1.902 1.00 75.25 H new ATOM 2195 N ALA A 145 7.871 11.357 6.976 1.00 4.12 N ATOM 2196 CA ALA A 145 6.735 12.152 7.428 1.00 24.14 C ATOM 2197 C ALA A 145 7.118 13.266 8.397 1.00 41.05 C ATOM 2198 O ALA A 145 6.433 14.292 8.465 1.00 52.33 O ATOM 2199 CB ALA A 145 5.667 11.260 8.035 1.00 72.40 C ATOM 0 H ALA A 145 7.985 10.469 7.466 1.00 4.12 H new ATOM 0 HA ALA A 145 6.336 12.644 6.541 1.00 24.14 H new ATOM 0 HB1 ALA A 145 4.828 11.871 8.366 1.00 72.40 H new ATOM 0 HB2 ALA A 145 5.323 10.545 7.288 1.00 72.40 H new ATOM 0 HB3 ALA A 145 6.083 10.722 8.887 1.00 72.40 H new ATOM 2205 N TYR A 146 8.168 13.077 9.160 1.00 34.13 N ATOM 2206 CA TYR A 146 8.570 14.095 10.102 1.00 3.32 C ATOM 2207 C TYR A 146 9.874 14.721 9.663 1.00 52.31 C ATOM 2208 O TYR A 146 9.826 15.657 8.847 1.00 37.42 O ATOM 2209 CB TYR A 146 8.669 13.537 11.528 1.00 43.54 C ATOM 2210 CG TYR A 146 7.370 12.970 12.053 1.00 31.32 C ATOM 2211 CD1 TYR A 146 6.423 13.783 12.654 1.00 3.11 C ATOM 2212 CD2 TYR A 146 7.094 11.620 11.940 1.00 23.05 C ATOM 2213 CE1 TYR A 146 5.234 13.263 13.124 1.00 55.24 C ATOM 2214 CE2 TYR A 146 5.915 11.096 12.405 1.00 11.15 C ATOM 2215 CZ TYR A 146 4.985 11.915 12.994 1.00 30.32 C ATOM 2216 OH TYR A 146 3.797 11.379 13.461 1.00 51.23 O ATOM 2217 OXT TYR A 146 10.957 14.284 10.112 1.00 37.42 O ATOM 0 H TYR A 146 8.752 12.241 9.149 1.00 34.13 H new ATOM 0 HA TYR A 146 7.803 14.869 10.118 1.00 3.32 H new ATOM 0 HB2 TYR A 146 9.430 12.757 11.551 1.00 43.54 H new ATOM 0 HB3 TYR A 146 9.005 14.330 12.196 1.00 43.54 H new ATOM 0 HD1 TYR A 146 6.618 14.840 12.756 1.00 3.11 H new ATOM 0 HD2 TYR A 146 7.819 10.967 11.478 1.00 23.05 H new ATOM 0 HE1 TYR A 146 4.504 13.909 13.590 1.00 55.24 H new ATOM 0 HE2 TYR A 146 5.719 10.038 12.308 1.00 11.15 H new ATOM 0 HH TYR A 146 3.047 11.934 13.160 1.00 51.23 H new TER 2227 TYR A 146