USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0.478 USER MOD Set 1.2: A 8 THR OG1 : rot 39:sc= 0.164 USER MOD Set 1.3: A 86 ASN : amide:sc= -1.43 K(o=-0.79,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0817 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.966 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 10:sc= 0.508 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.266 USER MOD Single : A 26 MET CE :methyl 151:sc= 0 (180deg=-1.19) USER MOD Single : A 33 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.59) USER MOD Single : A 42 TYR OH : rot -174:sc= -2.16! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -98:sc= 1.24 USER MOD Single : A 58 ASN : amide:sc= -0.434 K(o=-0.43,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -0.117 (180deg=-1.56!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.021 USER MOD Single : A 74 THR OG1 : rot -43:sc= 0.00403 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0207 (180deg=-0.209) USER MOD Single : A 91 SER OG : rot 159:sc= 0.929 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -118:sc= 0.032 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.431 -5.012 -10.605 1.00 0.00 N ATOM 2 CA GLY A 1 -15.120 -6.283 -10.481 1.00 0.00 C ATOM 3 C GLY A 1 -16.473 -6.278 -11.163 1.00 0.00 C ATOM 4 O GLY A 1 -16.790 -5.362 -11.922 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.472 -5.172 -10.975 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.955 -4.395 -11.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.371 -4.557 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.502 -7.071 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.250 -6.521 -9.425 1.00 0.00 H new ATOM 8 N SER A 2 -17.274 -7.304 -10.893 1.00 0.00 N ATOM 9 CA SER A 2 -18.599 -7.417 -11.491 1.00 0.00 C ATOM 10 C SER A 2 -19.687 -7.282 -10.430 1.00 0.00 C ATOM 11 O SER A 2 -20.620 -6.493 -10.579 1.00 0.00 O ATOM 12 CB SER A 2 -18.742 -8.756 -12.216 1.00 0.00 C ATOM 13 OG SER A 2 -18.450 -9.839 -11.350 1.00 0.00 O ATOM 0 H SER A 2 -17.028 -8.069 -10.264 1.00 0.00 H new ATOM 0 HA SER A 2 -18.715 -6.607 -12.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.757 -8.858 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.071 -8.782 -13.075 1.00 0.00 H new ATOM 0 HG SER A 2 -18.550 -10.683 -11.837 1.00 0.00 H new ATOM 19 N SER A 3 -19.559 -8.057 -9.358 1.00 0.00 N ATOM 20 CA SER A 3 -20.533 -8.028 -8.273 1.00 0.00 C ATOM 21 C SER A 3 -20.130 -7.012 -7.209 1.00 0.00 C ATOM 22 O SER A 3 -19.334 -7.310 -6.319 1.00 0.00 O ATOM 23 CB SER A 3 -20.668 -9.416 -7.643 1.00 0.00 C ATOM 24 OG SER A 3 -21.765 -9.464 -6.747 1.00 0.00 O ATOM 0 H SER A 3 -18.790 -8.713 -9.217 1.00 0.00 H new ATOM 0 HA SER A 3 -21.495 -7.731 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.801 -10.163 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.750 -9.669 -7.113 1.00 0.00 H new ATOM 0 HG SER A 3 -21.831 -10.361 -6.359 1.00 0.00 H new ATOM 30 N GLY A 4 -20.686 -5.808 -7.308 1.00 0.00 N ATOM 31 CA GLY A 4 -20.373 -4.765 -6.349 1.00 0.00 C ATOM 32 C GLY A 4 -21.218 -4.858 -5.095 1.00 0.00 C ATOM 33 O GLY A 4 -22.343 -4.358 -5.057 1.00 0.00 O ATOM 0 H GLY A 4 -21.348 -5.537 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.319 -4.829 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.524 -3.791 -6.814 1.00 0.00 H new ATOM 37 N SER A 5 -20.677 -5.502 -4.065 1.00 0.00 N ATOM 38 CA SER A 5 -21.392 -5.664 -2.804 1.00 0.00 C ATOM 39 C SER A 5 -20.853 -4.705 -1.747 1.00 0.00 C ATOM 40 O SER A 5 -21.618 -4.076 -1.016 1.00 0.00 O ATOM 41 CB SER A 5 -21.273 -7.107 -2.309 1.00 0.00 C ATOM 42 OG SER A 5 -21.955 -8.000 -3.171 1.00 0.00 O ATOM 0 H SER A 5 -19.747 -5.920 -4.079 1.00 0.00 H new ATOM 0 HA SER A 5 -22.443 -5.432 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.222 -7.388 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.683 -7.184 -1.302 1.00 0.00 H new ATOM 0 HG SER A 5 -21.862 -8.915 -2.834 1.00 0.00 H new ATOM 48 N SER A 6 -19.530 -4.600 -1.672 1.00 0.00 N ATOM 49 CA SER A 6 -18.887 -3.721 -0.702 1.00 0.00 C ATOM 50 C SER A 6 -19.428 -2.299 -0.815 1.00 0.00 C ATOM 51 O SER A 6 -19.031 -1.540 -1.698 1.00 0.00 O ATOM 52 CB SER A 6 -17.372 -3.720 -0.909 1.00 0.00 C ATOM 53 OG SER A 6 -16.741 -2.779 -0.058 1.00 0.00 O ATOM 0 H SER A 6 -18.883 -5.112 -2.271 1.00 0.00 H new ATOM 0 HA SER A 6 -19.110 -4.098 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.975 -4.716 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.144 -3.485 -1.949 1.00 0.00 H new ATOM 0 HG SER A 6 -15.773 -2.799 -0.209 1.00 0.00 H new ATOM 59 N GLY A 7 -20.339 -1.945 0.087 1.00 0.00 N ATOM 60 CA GLY A 7 -20.921 -0.616 0.072 1.00 0.00 C ATOM 61 C GLY A 7 -19.987 0.432 0.643 1.00 0.00 C ATOM 62 O GLY A 7 -20.393 1.567 0.895 1.00 0.00 O ATOM 0 H GLY A 7 -20.684 -2.555 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.180 -0.348 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.849 -0.622 0.645 1.00 0.00 H new ATOM 66 N THR A 8 -18.730 0.053 0.851 1.00 0.00 N ATOM 67 CA THR A 8 -17.736 0.967 1.399 1.00 0.00 C ATOM 68 C THR A 8 -16.822 1.506 0.305 1.00 0.00 C ATOM 69 O THR A 8 -16.557 0.827 -0.687 1.00 0.00 O ATOM 70 CB THR A 8 -16.876 0.281 2.478 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.754 -1.117 2.191 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.488 0.470 3.858 1.00 0.00 C ATOM 0 H THR A 8 -18.376 -0.882 0.648 1.00 0.00 H new ATOM 0 HA THR A 8 -18.283 1.794 1.852 1.00 0.00 H new ATOM 0 HB THR A 8 -15.887 0.740 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.648 -1.245 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.864 -0.023 4.603 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.552 1.534 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.487 0.034 3.876 1.00 0.00 H new ATOM 80 N SER A 9 -16.343 2.732 0.491 1.00 0.00 N ATOM 81 CA SER A 9 -15.461 3.364 -0.483 1.00 0.00 C ATOM 82 C SER A 9 -14.009 2.962 -0.242 1.00 0.00 C ATOM 83 O SER A 9 -13.586 2.710 0.887 1.00 0.00 O ATOM 84 CB SER A 9 -15.598 4.886 -0.414 1.00 0.00 C ATOM 85 OG SER A 9 -14.820 5.421 0.643 1.00 0.00 O ATOM 0 H SER A 9 -16.551 3.307 1.307 1.00 0.00 H new ATOM 0 HA SER A 9 -15.754 3.024 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.283 5.326 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.645 5.154 -0.271 1.00 0.00 H new ATOM 0 HG SER A 9 -14.923 6.395 0.665 1.00 0.00 H new ATOM 91 N PRO A 10 -13.225 2.899 -1.329 1.00 0.00 N ATOM 92 CA PRO A 10 -11.808 2.529 -1.263 1.00 0.00 C ATOM 93 C PRO A 10 -10.959 3.602 -0.591 1.00 0.00 C ATOM 94 O PRO A 10 -11.403 4.728 -0.365 1.00 0.00 O ATOM 95 CB PRO A 10 -11.413 2.376 -2.734 1.00 0.00 C ATOM 96 CG PRO A 10 -12.371 3.242 -3.476 1.00 0.00 C ATOM 97 CD PRO A 10 -13.662 3.187 -2.706 1.00 0.00 C ATOM 0 HA PRO A 10 -11.649 1.629 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.383 2.691 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.486 1.338 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.000 4.265 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.510 2.885 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.206 4.129 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.325 2.411 -3.088 1.00 0.00 H new ATOM 105 N PRO A 11 -9.707 3.249 -0.265 1.00 0.00 N ATOM 106 CA PRO A 11 -8.768 4.169 0.384 1.00 0.00 C ATOM 107 C PRO A 11 -8.314 5.287 -0.548 1.00 0.00 C ATOM 108 O PRO A 11 -7.742 5.033 -1.608 1.00 0.00 O ATOM 109 CB PRO A 11 -7.587 3.269 0.754 1.00 0.00 C ATOM 110 CG PRO A 11 -7.650 2.142 -0.219 1.00 0.00 C ATOM 111 CD PRO A 11 -9.110 1.924 -0.506 1.00 0.00 C ATOM 0 HA PRO A 11 -9.219 4.676 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.641 3.806 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.668 2.911 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.105 2.383 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.195 1.242 0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.273 1.590 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.539 1.165 0.148 1.00 0.00 H new ATOM 119 N THR A 12 -8.573 6.528 -0.146 1.00 0.00 N ATOM 120 CA THR A 12 -8.192 7.686 -0.945 1.00 0.00 C ATOM 121 C THR A 12 -6.917 8.328 -0.410 1.00 0.00 C ATOM 122 O THR A 12 -6.412 7.943 0.646 1.00 0.00 O ATOM 123 CB THR A 12 -9.312 8.742 -0.974 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.480 9.314 0.328 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.625 8.127 -1.435 1.00 0.00 C ATOM 0 H THR A 12 -9.045 6.756 0.729 1.00 0.00 H new ATOM 0 HA THR A 12 -8.016 7.326 -1.959 1.00 0.00 H new ATOM 0 HB THR A 12 -9.026 9.522 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.193 9.986 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.401 8.893 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.503 7.718 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.913 7.329 -0.751 1.00 0.00 H new ATOM 133 N LEU A 13 -6.401 9.308 -1.143 1.00 0.00 N ATOM 134 CA LEU A 13 -5.184 10.005 -0.741 1.00 0.00 C ATOM 135 C LEU A 13 -4.034 9.023 -0.543 1.00 0.00 C ATOM 136 O LEU A 13 -3.385 9.013 0.504 1.00 0.00 O ATOM 137 CB LEU A 13 -5.426 10.791 0.549 1.00 0.00 C ATOM 138 CG LEU A 13 -6.373 11.987 0.439 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.858 12.412 1.816 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.688 13.146 -0.270 1.00 0.00 C ATOM 0 H LEU A 13 -6.806 9.638 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.912 10.698 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.823 10.107 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.465 11.147 0.920 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.239 11.688 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.531 13.264 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.388 11.584 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.004 12.693 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.377 13.988 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.804 13.445 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.392 12.836 -1.272 1.00 0.00 H new ATOM 152 N LEU A 14 -3.786 8.199 -1.556 1.00 0.00 N ATOM 153 CA LEU A 14 -2.712 7.214 -1.494 1.00 0.00 C ATOM 154 C LEU A 14 -1.396 7.811 -1.985 1.00 0.00 C ATOM 155 O LEU A 14 -1.261 8.166 -3.156 1.00 0.00 O ATOM 156 CB LEU A 14 -3.071 5.986 -2.333 1.00 0.00 C ATOM 157 CG LEU A 14 -2.091 4.815 -2.262 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.935 5.027 -3.228 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.575 4.636 -0.842 1.00 0.00 C ATOM 0 H LEU A 14 -4.314 8.194 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.588 6.913 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.053 5.631 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.161 6.296 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.619 3.907 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.248 4.184 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.320 5.104 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.408 5.945 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.879 3.798 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.064 5.544 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.412 4.437 -0.173 1.00 0.00 H new ATOM 171 N THR A 15 -0.427 7.918 -1.081 1.00 0.00 N ATOM 172 CA THR A 15 0.878 8.470 -1.421 1.00 0.00 C ATOM 173 C THR A 15 1.957 7.955 -0.476 1.00 0.00 C ATOM 174 O THR A 15 1.699 7.711 0.703 1.00 0.00 O ATOM 175 CB THR A 15 0.865 10.010 -1.376 1.00 0.00 C ATOM 176 OG1 THR A 15 0.153 10.527 -2.505 1.00 0.00 O ATOM 177 CG2 THR A 15 2.282 10.563 -1.367 1.00 0.00 C ATOM 0 H THR A 15 -0.522 7.629 -0.107 1.00 0.00 H new ATOM 0 HA THR A 15 1.104 8.145 -2.437 1.00 0.00 H new ATOM 0 HB THR A 15 0.365 10.320 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.301 9.793 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.247 11.652 -1.335 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.812 10.191 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.803 10.243 -2.269 1.00 0.00 H new ATOM 185 N VAL A 16 3.167 7.790 -1.000 1.00 0.00 N ATOM 186 CA VAL A 16 4.286 7.305 -0.201 1.00 0.00 C ATOM 187 C VAL A 16 4.708 8.337 0.838 1.00 0.00 C ATOM 188 O VAL A 16 5.188 9.418 0.496 1.00 0.00 O ATOM 189 CB VAL A 16 5.499 6.959 -1.086 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.668 6.494 -0.232 1.00 0.00 C ATOM 191 CG2 VAL A 16 5.124 5.900 -2.112 1.00 0.00 C ATOM 0 H VAL A 16 3.398 7.985 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 16 3.945 6.402 0.306 1.00 0.00 H new ATOM 0 HB VAL A 16 5.805 7.858 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.515 6.254 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.951 7.287 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.377 5.607 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.992 5.667 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.791 4.998 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.320 6.275 -2.745 1.00 0.00 H new ATOM 201 N ASP A 17 4.527 7.997 2.109 1.00 0.00 N ATOM 202 CA ASP A 17 4.890 8.893 3.200 1.00 0.00 C ATOM 203 C ASP A 17 6.399 9.115 3.242 1.00 0.00 C ATOM 204 O ASP A 17 6.868 10.252 3.303 1.00 0.00 O ATOM 205 CB ASP A 17 4.408 8.326 4.537 1.00 0.00 C ATOM 206 CG ASP A 17 4.622 9.292 5.686 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.589 10.081 5.626 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.823 9.259 6.645 1.00 0.00 O ATOM 0 H ASP A 17 4.131 7.106 2.409 1.00 0.00 H new ATOM 0 HA ASP A 17 4.404 9.853 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.348 8.082 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.936 7.395 4.745 1.00 0.00 H new ATOM 213 N SER A 18 7.154 8.022 3.209 1.00 0.00 N ATOM 214 CA SER A 18 8.609 8.096 3.248 1.00 0.00 C ATOM 215 C SER A 18 9.233 7.003 2.386 1.00 0.00 C ATOM 216 O SER A 18 8.557 6.059 1.977 1.00 0.00 O ATOM 217 CB SER A 18 9.109 7.973 4.689 1.00 0.00 C ATOM 218 OG SER A 18 8.711 9.090 5.465 1.00 0.00 O ATOM 0 H SER A 18 6.782 7.074 3.155 1.00 0.00 H new ATOM 0 HA SER A 18 8.909 9.065 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.719 7.059 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.196 7.892 4.694 1.00 0.00 H new ATOM 0 HG SER A 18 9.042 8.986 6.382 1.00 0.00 H new ATOM 224 N VAL A 19 10.527 7.138 2.115 1.00 0.00 N ATOM 225 CA VAL A 19 11.244 6.162 1.303 1.00 0.00 C ATOM 226 C VAL A 19 12.700 6.048 1.738 1.00 0.00 C ATOM 227 O VAL A 19 13.433 7.038 1.759 1.00 0.00 O ATOM 228 CB VAL A 19 11.193 6.530 -0.192 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.036 5.563 -1.009 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.755 6.546 -0.688 1.00 0.00 C ATOM 0 H VAL A 19 11.100 7.914 2.446 1.00 0.00 H new ATOM 0 HA VAL A 19 10.748 5.203 1.451 1.00 0.00 H new ATOM 0 HB VAL A 19 11.607 7.530 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.988 5.839 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.071 5.606 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.654 4.550 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.738 6.808 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.312 5.560 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.183 7.282 -0.123 1.00 0.00 H new ATOM 240 N THR A 20 13.116 4.834 2.085 1.00 0.00 N ATOM 241 CA THR A 20 14.485 4.590 2.520 1.00 0.00 C ATOM 242 C THR A 20 15.093 3.402 1.783 1.00 0.00 C ATOM 243 O THR A 20 14.469 2.348 1.663 1.00 0.00 O ATOM 244 CB THR A 20 14.554 4.328 4.037 1.00 0.00 C ATOM 245 OG1 THR A 20 13.760 5.293 4.737 1.00 0.00 O ATOM 246 CG2 THR A 20 15.991 4.391 4.532 1.00 0.00 C ATOM 0 H THR A 20 12.523 4.004 2.073 1.00 0.00 H new ATOM 0 HA THR A 20 15.055 5.489 2.287 1.00 0.00 H new ATOM 0 HB THR A 20 14.164 3.329 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.807 5.119 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.015 4.203 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.586 3.636 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.403 5.379 4.328 1.00 0.00 H new ATOM 254 N ASP A 21 16.315 3.579 1.292 1.00 0.00 N ATOM 255 CA ASP A 21 17.008 2.521 0.567 1.00 0.00 C ATOM 256 C ASP A 21 16.775 1.166 1.229 1.00 0.00 C ATOM 257 O ASP A 21 16.853 0.123 0.579 1.00 0.00 O ATOM 258 CB ASP A 21 18.507 2.817 0.500 1.00 0.00 C ATOM 259 CG ASP A 21 19.178 2.725 1.857 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.914 3.599 2.709 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.966 1.779 2.066 1.00 0.00 O ATOM 0 H ASP A 21 16.846 4.445 1.383 1.00 0.00 H new ATOM 0 HA ASP A 21 16.606 2.485 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.982 2.115 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.659 3.815 0.090 1.00 0.00 H new ATOM 266 N THR A 22 16.488 1.189 2.527 1.00 0.00 N ATOM 267 CA THR A 22 16.245 -0.037 3.278 1.00 0.00 C ATOM 268 C THR A 22 14.782 -0.454 3.190 1.00 0.00 C ATOM 269 O THR A 22 14.465 -1.558 2.745 1.00 0.00 O ATOM 270 CB THR A 22 16.633 0.126 4.760 1.00 0.00 C ATOM 271 OG1 THR A 22 16.026 1.306 5.298 1.00 0.00 O ATOM 272 CG2 THR A 22 18.144 0.210 4.918 1.00 0.00 C ATOM 0 H THR A 22 16.418 2.043 3.080 1.00 0.00 H new ATOM 0 HA THR A 22 16.868 -0.811 2.830 1.00 0.00 H new ATOM 0 HB THR A 22 16.275 -0.747 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.276 1.402 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.394 0.325 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.601 -0.702 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.521 1.067 4.360 1.00 0.00 H new ATOM 280 N THR A 23 13.891 0.435 3.617 1.00 0.00 N ATOM 281 CA THR A 23 12.460 0.159 3.586 1.00 0.00 C ATOM 282 C THR A 23 11.676 1.369 3.093 1.00 0.00 C ATOM 283 O THR A 23 12.220 2.468 2.975 1.00 0.00 O ATOM 284 CB THR A 23 11.937 -0.245 4.978 1.00 0.00 C ATOM 285 OG1 THR A 23 12.111 0.836 5.900 1.00 0.00 O ATOM 286 CG2 THR A 23 12.663 -1.479 5.492 1.00 0.00 C ATOM 0 H THR A 23 14.135 1.353 3.989 1.00 0.00 H new ATOM 0 HA THR A 23 12.313 -0.671 2.895 1.00 0.00 H new ATOM 0 HB THR A 23 10.876 -0.478 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.774 0.571 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.277 -1.745 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.503 -2.308 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.730 -1.269 5.566 1.00 0.00 H new ATOM 294 N VAL A 24 10.395 1.162 2.806 1.00 0.00 N ATOM 295 CA VAL A 24 9.535 2.238 2.327 1.00 0.00 C ATOM 296 C VAL A 24 8.315 2.408 3.225 1.00 0.00 C ATOM 297 O VAL A 24 7.807 1.439 3.792 1.00 0.00 O ATOM 298 CB VAL A 24 9.065 1.979 0.883 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.256 1.875 -0.056 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.212 0.721 0.819 1.00 0.00 C ATOM 0 H VAL A 24 9.930 0.259 2.897 1.00 0.00 H new ATOM 0 HA VAL A 24 10.128 3.152 2.350 1.00 0.00 H new ATOM 0 HB VAL A 24 8.453 2.822 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.904 1.692 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.822 2.806 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.897 1.052 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.888 0.553 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.797 -0.133 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.338 0.841 1.460 1.00 0.00 H new ATOM 310 N THR A 25 7.847 3.646 3.350 1.00 0.00 N ATOM 311 CA THR A 25 6.686 3.943 4.180 1.00 0.00 C ATOM 312 C THR A 25 5.504 4.397 3.330 1.00 0.00 C ATOM 313 O THR A 25 5.610 5.354 2.563 1.00 0.00 O ATOM 314 CB THR A 25 7.004 5.034 5.220 1.00 0.00 C ATOM 315 OG1 THR A 25 8.294 4.801 5.795 1.00 0.00 O ATOM 316 CG2 THR A 25 5.951 5.058 6.318 1.00 0.00 C ATOM 0 H THR A 25 8.254 4.459 2.887 1.00 0.00 H new ATOM 0 HA THR A 25 6.424 3.021 4.699 1.00 0.00 H new ATOM 0 HB THR A 25 7.001 5.999 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.424 5.399 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.197 5.836 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.974 5.264 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.927 4.091 6.820 1.00 0.00 H new ATOM 324 N MET A 26 4.379 3.704 3.472 1.00 0.00 N ATOM 325 CA MET A 26 3.177 4.038 2.717 1.00 0.00 C ATOM 326 C MET A 26 2.091 4.584 3.639 1.00 0.00 C ATOM 327 O MET A 26 2.066 4.281 4.832 1.00 0.00 O ATOM 328 CB MET A 26 2.658 2.806 1.973 1.00 0.00 C ATOM 329 CG MET A 26 3.500 2.425 0.766 1.00 0.00 C ATOM 330 SD MET A 26 3.717 3.793 -0.389 1.00 0.00 S ATOM 331 CE MET A 26 2.234 3.637 -1.380 1.00 0.00 C ATOM 0 H MET A 26 4.275 2.909 4.102 1.00 0.00 H new ATOM 0 HA MET A 26 3.436 4.810 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.624 1.963 2.663 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.635 2.993 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.478 2.081 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.029 1.589 0.249 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.945 4.617 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.425 2.966 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.428 3.232 -0.768 1.00 0.00 H new ATOM 341 N ARG A 27 1.196 5.391 3.078 1.00 0.00 N ATOM 342 CA ARG A 27 0.109 5.981 3.851 1.00 0.00 C ATOM 343 C ARG A 27 -1.133 6.169 2.985 1.00 0.00 C ATOM 344 O ARG A 27 -1.033 6.427 1.785 1.00 0.00 O ATOM 345 CB ARG A 27 0.543 7.326 4.437 1.00 0.00 C ATOM 346 CG ARG A 27 0.810 8.391 3.386 1.00 0.00 C ATOM 347 CD ARG A 27 0.687 9.791 3.968 1.00 0.00 C ATOM 348 NE ARG A 27 -0.704 10.226 4.057 1.00 0.00 N ATOM 349 CZ ARG A 27 -1.442 10.547 3.000 1.00 0.00 C ATOM 350 NH1 ARG A 27 -0.925 10.480 1.781 1.00 0.00 N ATOM 351 NH2 ARG A 27 -2.701 10.935 3.162 1.00 0.00 N ATOM 0 H ARG A 27 1.202 5.651 2.092 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.136 5.299 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.231 7.684 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.445 7.180 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.809 8.254 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.106 8.275 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.138 9.812 4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.247 10.492 3.349 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.132 10.287 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.042 10.181 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.494 10.727 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.102 10.987 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.267 11.181 2.350 1.00 0.00 H new ATOM 365 N TRP A 28 -2.302 6.037 3.601 1.00 0.00 N ATOM 366 CA TRP A 28 -3.564 6.192 2.887 1.00 0.00 C ATOM 367 C TRP A 28 -4.640 6.769 3.800 1.00 0.00 C ATOM 368 O TRP A 28 -4.448 6.871 5.012 1.00 0.00 O ATOM 369 CB TRP A 28 -4.024 4.846 2.324 1.00 0.00 C ATOM 370 CG TRP A 28 -4.205 3.793 3.376 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.307 3.599 4.160 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.256 2.793 3.760 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.099 2.538 5.007 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.849 2.025 4.781 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.963 2.469 3.338 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.192 0.957 5.386 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.313 1.408 3.940 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.928 0.662 4.954 1.00 0.00 C ATOM 0 H TRP A 28 -2.402 5.823 4.593 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.403 6.887 2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.966 4.985 1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.295 4.498 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.209 4.192 4.120 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.767 2.188 5.694 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.481 3.037 2.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.664 0.382 6.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.313 1.149 3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.394 -0.162 5.403 1.00 0.00 H new ATOM 389 N ARG A 29 -5.771 7.144 3.212 1.00 0.00 N ATOM 390 CA ARG A 29 -6.877 7.712 3.974 1.00 0.00 C ATOM 391 C ARG A 29 -8.103 6.807 3.909 1.00 0.00 C ATOM 392 O ARG A 29 -8.425 6.231 2.870 1.00 0.00 O ATOM 393 CB ARG A 29 -7.227 9.104 3.445 1.00 0.00 C ATOM 394 CG ARG A 29 -8.470 9.703 4.082 1.00 0.00 C ATOM 395 CD ARG A 29 -8.118 10.581 5.272 1.00 0.00 C ATOM 396 NE ARG A 29 -9.215 10.670 6.232 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.276 11.580 7.197 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.307 12.476 7.330 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.307 11.597 8.032 1.00 0.00 N ATOM 0 H ARG A 29 -5.946 7.065 2.210 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.564 7.795 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.383 9.772 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.373 9.047 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.012 10.292 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.137 8.903 4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.234 10.181 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.862 11.581 4.921 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.977 9.996 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.513 12.467 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.356 13.174 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.055 10.910 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.352 12.297 8.773 1.00 0.00 H new ATOM 413 N PRO A 30 -8.805 6.678 5.045 1.00 0.00 N ATOM 414 CA PRO A 30 -10.007 5.844 5.142 1.00 0.00 C ATOM 415 C PRO A 30 -11.183 6.430 4.368 1.00 0.00 C ATOM 416 O PRO A 30 -11.144 7.568 3.900 1.00 0.00 O ATOM 417 CB PRO A 30 -10.308 5.831 6.643 1.00 0.00 C ATOM 418 CG PRO A 30 -9.700 7.088 7.163 1.00 0.00 C ATOM 419 CD PRO A 30 -8.479 7.335 6.321 1.00 0.00 C ATOM 0 HA PRO A 30 -9.852 4.853 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.381 5.803 6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.877 4.954 7.125 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.400 7.920 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.435 6.987 8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.292 8.401 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.585 6.909 6.775 1.00 0.00 H new ATOM 427 N PRO A 31 -12.254 5.636 4.228 1.00 0.00 N ATOM 428 CA PRO A 31 -13.462 6.055 3.512 1.00 0.00 C ATOM 429 C PRO A 31 -14.237 7.134 4.262 1.00 0.00 C ATOM 430 O PRO A 31 -14.180 7.212 5.490 1.00 0.00 O ATOM 431 CB PRO A 31 -14.287 4.769 3.423 1.00 0.00 C ATOM 432 CG PRO A 31 -13.827 3.944 4.574 1.00 0.00 C ATOM 433 CD PRO A 31 -12.370 4.267 4.760 1.00 0.00 C ATOM 0 HA PRO A 31 -13.228 6.495 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.355 4.978 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.119 4.256 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.396 4.178 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.969 2.882 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.078 4.217 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.731 3.570 4.218 1.00 0.00 H new ATOM 441 N ASP A 32 -14.960 7.963 3.518 1.00 0.00 N ATOM 442 CA ASP A 32 -15.747 9.036 4.113 1.00 0.00 C ATOM 443 C ASP A 32 -16.830 8.472 5.029 1.00 0.00 C ATOM 444 O ASP A 32 -17.092 9.012 6.104 1.00 0.00 O ATOM 445 CB ASP A 32 -16.383 9.897 3.021 1.00 0.00 C ATOM 446 CG ASP A 32 -17.465 10.812 3.562 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.152 11.650 4.433 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.623 10.690 3.112 1.00 0.00 O ATOM 0 H ASP A 32 -15.017 7.912 2.501 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.078 9.656 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.611 10.497 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.808 9.250 2.254 1.00 0.00 H new ATOM 453 N HIS A 33 -17.457 7.383 4.595 1.00 0.00 N ATOM 454 CA HIS A 33 -18.511 6.746 5.375 1.00 0.00 C ATOM 455 C HIS A 33 -18.273 5.243 5.487 1.00 0.00 C ATOM 456 O HIS A 33 -17.430 4.685 4.783 1.00 0.00 O ATOM 457 CB HIS A 33 -19.876 7.011 4.739 1.00 0.00 C ATOM 458 CG HIS A 33 -20.375 8.408 4.951 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.468 8.993 6.196 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.806 9.337 4.067 1.00 0.00 C ATOM 461 CE1 HIS A 33 -20.938 10.221 6.069 1.00 0.00 C ATOM 462 NE2 HIS A 33 -21.151 10.455 4.786 1.00 0.00 N ATOM 0 H HIS A 33 -17.253 6.924 3.707 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.495 7.174 6.377 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.813 6.815 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.601 6.309 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -20.867 9.221 2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.118 10.916 6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.513 11.324 4.394 1.00 0.00 H new ATOM 471 N ILE A 34 -19.018 4.595 6.375 1.00 0.00 N ATOM 472 CA ILE A 34 -18.887 3.158 6.578 1.00 0.00 C ATOM 473 C ILE A 34 -20.254 2.486 6.651 1.00 0.00 C ATOM 474 O ILE A 34 -21.211 3.057 7.171 1.00 0.00 O ATOM 475 CB ILE A 34 -18.102 2.840 7.865 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.762 3.578 7.866 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.887 1.340 7.997 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.660 2.830 7.149 1.00 0.00 C ATOM 0 H ILE A 34 -19.719 5.042 6.966 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.338 2.767 5.721 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.684 3.181 8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.893 4.553 7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.457 3.759 8.897 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.331 1.131 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.853 0.836 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.323 0.976 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.739 3.412 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.501 1.866 7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.944 2.673 6.109 1.00 0.00 H new ATOM 490 N GLY A 35 -20.337 1.267 6.126 1.00 0.00 N ATOM 491 CA GLY A 35 -21.591 0.536 6.143 1.00 0.00 C ATOM 492 C GLY A 35 -21.398 -0.951 5.917 1.00 0.00 C ATOM 493 O GLY A 35 -21.776 -1.767 6.757 1.00 0.00 O ATOM 0 H GLY A 35 -19.559 0.773 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.087 0.694 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.251 0.935 5.373 1.00 0.00 H new ATOM 497 N ALA A 36 -20.811 -1.303 4.779 1.00 0.00 N ATOM 498 CA ALA A 36 -20.568 -2.701 4.445 1.00 0.00 C ATOM 499 C ALA A 36 -19.964 -3.451 5.627 1.00 0.00 C ATOM 500 O ALA A 36 -18.747 -3.460 5.812 1.00 0.00 O ATOM 501 CB ALA A 36 -19.658 -2.804 3.231 1.00 0.00 C ATOM 0 H ALA A 36 -20.495 -0.639 4.072 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.526 -3.163 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.486 -3.854 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.129 -2.312 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.706 -2.320 3.448 1.00 0.00 H new ATOM 507 N ALA A 37 -20.821 -4.078 6.425 1.00 0.00 N ATOM 508 CA ALA A 37 -20.371 -4.832 7.589 1.00 0.00 C ATOM 509 C ALA A 37 -19.171 -4.160 8.247 1.00 0.00 C ATOM 510 O ALA A 37 -18.275 -4.830 8.758 1.00 0.00 O ATOM 511 CB ALA A 37 -20.027 -6.260 7.192 1.00 0.00 C ATOM 0 H ALA A 37 -21.832 -4.079 6.287 1.00 0.00 H new ATOM 0 HA ALA A 37 -21.185 -4.854 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -19.693 -6.811 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -20.910 -6.744 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -19.232 -6.249 6.446 1.00 0.00 H new ATOM 517 N GLY A 38 -19.160 -2.830 8.231 1.00 0.00 N ATOM 518 CA GLY A 38 -18.065 -2.090 8.829 1.00 0.00 C ATOM 519 C GLY A 38 -16.728 -2.418 8.193 1.00 0.00 C ATOM 520 O GLY A 38 -16.534 -3.515 7.668 1.00 0.00 O ATOM 0 H GLY A 38 -19.890 -2.253 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.257 -1.021 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.021 -2.311 9.895 1.00 0.00 H new ATOM 524 N LEU A 39 -15.804 -1.464 8.237 1.00 0.00 N ATOM 525 CA LEU A 39 -14.479 -1.656 7.659 1.00 0.00 C ATOM 526 C LEU A 39 -13.584 -2.455 8.601 1.00 0.00 C ATOM 527 O LEU A 39 -13.505 -2.164 9.794 1.00 0.00 O ATOM 528 CB LEU A 39 -13.834 -0.303 7.351 1.00 0.00 C ATOM 529 CG LEU A 39 -12.314 -0.304 7.192 1.00 0.00 C ATOM 530 CD1 LEU A 39 -11.921 -0.824 5.818 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.753 1.092 7.416 1.00 0.00 C ATOM 0 H LEU A 39 -15.948 -0.550 8.667 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.593 -2.217 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.275 0.086 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.095 0.391 8.150 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.890 -0.969 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.835 -0.817 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.290 -1.842 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.356 -0.185 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.670 1.072 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.184 1.779 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.003 1.427 8.423 1.00 0.00 H new ATOM 543 N ASP A 40 -12.911 -3.463 8.056 1.00 0.00 N ATOM 544 CA ASP A 40 -12.019 -4.303 8.847 1.00 0.00 C ATOM 545 C ASP A 40 -10.584 -4.203 8.336 1.00 0.00 C ATOM 546 O ASP A 40 -10.200 -4.895 7.394 1.00 0.00 O ATOM 547 CB ASP A 40 -12.487 -5.758 8.808 1.00 0.00 C ATOM 548 CG ASP A 40 -13.893 -5.928 9.348 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.851 -5.801 8.557 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.037 -6.188 10.561 1.00 0.00 O ATOM 0 H ASP A 40 -12.966 -3.718 7.070 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.044 -3.949 9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.449 -6.122 7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.801 -6.373 9.390 1.00 0.00 H new ATOM 555 N GLY A 41 -9.797 -3.336 8.965 1.00 0.00 N ATOM 556 CA GLY A 41 -8.414 -3.160 8.560 1.00 0.00 C ATOM 557 C GLY A 41 -8.268 -2.971 7.064 1.00 0.00 C ATOM 558 O GLY A 41 -9.236 -2.648 6.374 1.00 0.00 O ATOM 0 H GLY A 41 -10.092 -2.752 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.995 -2.295 9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.834 -4.029 8.872 1.00 0.00 H new ATOM 562 N TYR A 42 -7.056 -3.170 6.559 1.00 0.00 N ATOM 563 CA TYR A 42 -6.785 -3.015 5.135 1.00 0.00 C ATOM 564 C TYR A 42 -5.782 -4.059 4.654 1.00 0.00 C ATOM 565 O TYR A 42 -5.245 -4.833 5.447 1.00 0.00 O ATOM 566 CB TYR A 42 -6.255 -1.610 4.845 1.00 0.00 C ATOM 567 CG TYR A 42 -7.099 -0.509 5.446 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.000 -0.188 6.794 1.00 0.00 C ATOM 569 CD2 TYR A 42 -7.995 0.211 4.666 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.769 0.817 7.348 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.768 1.219 5.210 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.651 1.518 6.552 1.00 0.00 C ATOM 573 OH TYR A 42 -9.420 2.520 7.098 1.00 0.00 O ATOM 0 H TYR A 42 -6.245 -3.439 7.115 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.721 -3.161 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.238 -1.528 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.201 -1.467 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.310 -0.734 7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.089 -0.021 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.680 1.053 8.398 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.459 1.769 4.589 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.054 2.849 6.427 1.00 0.00 H new ATOM 583 N VAL A 43 -5.533 -4.073 3.348 1.00 0.00 N ATOM 584 CA VAL A 43 -4.593 -5.020 2.760 1.00 0.00 C ATOM 585 C VAL A 43 -3.682 -4.333 1.748 1.00 0.00 C ATOM 586 O VAL A 43 -4.152 -3.679 0.816 1.00 0.00 O ATOM 587 CB VAL A 43 -5.327 -6.183 2.066 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.330 -7.184 1.504 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.287 -6.859 3.034 1.00 0.00 C ATOM 0 H VAL A 43 -5.969 -3.440 2.678 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.991 -5.417 3.577 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.907 -5.781 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.867 -7.998 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.687 -6.688 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.720 -7.584 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.797 -7.678 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.730 -7.250 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.022 -6.134 3.383 1.00 0.00 H new ATOM 599 N LEU A 44 -2.376 -4.485 1.938 1.00 0.00 N ATOM 600 CA LEU A 44 -1.397 -3.880 1.041 1.00 0.00 C ATOM 601 C LEU A 44 -0.476 -4.940 0.446 1.00 0.00 C ATOM 602 O LEU A 44 -0.117 -5.909 1.113 1.00 0.00 O ATOM 603 CB LEU A 44 -0.572 -2.831 1.788 1.00 0.00 C ATOM 604 CG LEU A 44 0.371 -1.985 0.933 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.551 -0.604 1.543 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.716 -2.679 0.775 1.00 0.00 C ATOM 0 H LEU A 44 -1.970 -5.022 2.705 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.936 -3.396 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.257 -2.162 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.018 -3.338 2.551 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.073 -1.868 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.226 -0.016 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.416 -0.104 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.972 -0.700 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.374 -2.062 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.166 -2.827 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.572 -3.645 0.292 1.00 0.00 H new ATOM 618 N GLU A 45 -0.095 -4.746 -0.813 1.00 0.00 N ATOM 619 CA GLU A 45 0.786 -5.685 -1.497 1.00 0.00 C ATOM 620 C GLU A 45 1.769 -4.948 -2.403 1.00 0.00 C ATOM 621 O GLU A 45 1.643 -3.743 -2.623 1.00 0.00 O ATOM 622 CB GLU A 45 -0.033 -6.682 -2.319 1.00 0.00 C ATOM 623 CG GLU A 45 -0.905 -7.596 -1.475 1.00 0.00 C ATOM 624 CD GLU A 45 -1.166 -8.933 -2.141 1.00 0.00 C ATOM 625 OE1 GLU A 45 -0.297 -9.390 -2.912 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.238 -9.521 -1.892 1.00 0.00 O ATOM 0 H GLU A 45 -0.382 -3.948 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 45 1.353 -6.228 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.666 -6.132 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.645 -7.291 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.424 -7.762 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.856 -7.102 -1.276 1.00 0.00 H new ATOM 633 N TYR A 46 2.747 -5.681 -2.925 1.00 0.00 N ATOM 634 CA TYR A 46 3.753 -5.097 -3.804 1.00 0.00 C ATOM 635 C TYR A 46 4.221 -6.111 -4.843 1.00 0.00 C ATOM 636 O TYR A 46 4.554 -7.249 -4.511 1.00 0.00 O ATOM 637 CB TYR A 46 4.946 -4.598 -2.988 1.00 0.00 C ATOM 638 CG TYR A 46 5.831 -5.708 -2.468 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.371 -6.596 -1.503 1.00 0.00 C ATOM 640 CD2 TYR A 46 7.127 -5.870 -2.942 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.177 -7.611 -1.025 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.939 -6.883 -2.471 1.00 0.00 C ATOM 643 CZ TYR A 46 7.460 -7.751 -1.512 1.00 0.00 C ATOM 644 OH TYR A 46 8.265 -8.762 -1.039 1.00 0.00 O ATOM 0 H TYR A 46 2.864 -6.680 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 46 3.300 -4.253 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.543 -3.928 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.579 -4.012 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.367 -6.491 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.506 -5.192 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.804 -8.292 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.944 -6.995 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 46 9.137 -8.722 -1.485 1.00 0.00 H new ATOM 654 N CYS A 47 4.246 -5.688 -6.103 1.00 0.00 N ATOM 655 CA CYS A 47 4.674 -6.558 -7.193 1.00 0.00 C ATOM 656 C CYS A 47 6.087 -6.206 -7.646 1.00 0.00 C ATOM 657 O CYS A 47 6.319 -5.142 -8.221 1.00 0.00 O ATOM 658 CB CYS A 47 3.705 -6.448 -8.371 1.00 0.00 C ATOM 659 SG CYS A 47 4.315 -7.195 -9.900 1.00 0.00 S ATOM 0 H CYS A 47 3.975 -4.749 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 47 4.675 -7.585 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.763 -6.923 -8.098 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.490 -5.395 -8.554 1.00 0.00 H new ATOM 0 HG CYS A 47 3.425 -7.053 -10.837 1.00 0.00 H new ATOM 665 N PHE A 48 7.028 -7.106 -7.383 1.00 0.00 N ATOM 666 CA PHE A 48 8.420 -6.890 -7.762 1.00 0.00 C ATOM 667 C PHE A 48 8.615 -7.102 -9.260 1.00 0.00 C ATOM 668 O PHE A 48 8.103 -8.063 -9.833 1.00 0.00 O ATOM 669 CB PHE A 48 9.336 -7.832 -6.978 1.00 0.00 C ATOM 670 CG PHE A 48 10.724 -7.292 -6.780 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.677 -7.413 -7.778 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.074 -6.664 -5.596 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.955 -6.917 -7.598 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.350 -6.166 -5.411 1.00 0.00 C ATOM 675 CZ PHE A 48 13.291 -6.292 -6.414 1.00 0.00 C ATOM 0 H PHE A 48 6.853 -7.992 -6.909 1.00 0.00 H new ATOM 0 HA PHE A 48 8.680 -5.859 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.890 -8.032 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.397 -8.786 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.419 -7.900 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.342 -6.562 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.690 -7.018 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.611 -5.679 -4.483 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.288 -5.902 -6.272 1.00 0.00 H new ATOM 685 N GLU A 49 9.359 -6.197 -9.888 1.00 0.00 N ATOM 686 CA GLU A 49 9.620 -6.284 -11.320 1.00 0.00 C ATOM 687 C GLU A 49 10.336 -7.587 -11.664 1.00 0.00 C ATOM 688 O GLU A 49 11.430 -7.857 -11.170 1.00 0.00 O ATOM 689 CB GLU A 49 10.460 -5.091 -11.781 1.00 0.00 C ATOM 690 CG GLU A 49 11.812 -4.996 -11.093 1.00 0.00 C ATOM 691 CD GLU A 49 12.436 -3.620 -11.220 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.173 -3.390 -12.201 1.00 0.00 O ATOM 693 OE2 GLU A 49 12.187 -2.773 -10.337 1.00 0.00 O ATOM 0 H GLU A 49 9.791 -5.396 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 49 8.662 -6.267 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.614 -5.160 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.903 -4.172 -11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.696 -5.242 -10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.486 -5.738 -11.521 1.00 0.00 H new ATOM 700 N GLY A 50 9.708 -8.393 -12.515 1.00 0.00 N ATOM 701 CA GLY A 50 10.298 -9.659 -12.910 1.00 0.00 C ATOM 702 C GLY A 50 9.696 -10.836 -12.169 1.00 0.00 C ATOM 703 O GLY A 50 10.383 -11.816 -11.880 1.00 0.00 O ATOM 0 H GLY A 50 8.802 -8.192 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.162 -9.801 -13.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.372 -9.629 -12.726 1.00 0.00 H new ATOM 707 N THR A 51 8.406 -10.741 -11.859 1.00 0.00 N ATOM 708 CA THR A 51 7.712 -11.805 -11.145 1.00 0.00 C ATOM 709 C THR A 51 6.454 -12.237 -11.889 1.00 0.00 C ATOM 710 O THR A 51 6.069 -11.623 -12.884 1.00 0.00 O ATOM 711 CB THR A 51 7.326 -11.365 -9.720 1.00 0.00 C ATOM 712 OG1 THR A 51 6.461 -10.225 -9.776 1.00 0.00 O ATOM 713 CG2 THR A 51 8.564 -11.029 -8.903 1.00 0.00 C ATOM 0 H THR A 51 7.822 -9.938 -12.091 1.00 0.00 H new ATOM 0 HA THR A 51 8.402 -12.647 -11.084 1.00 0.00 H new ATOM 0 HB THR A 51 6.805 -12.192 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.984 -9.410 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.266 -10.721 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.206 -11.908 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.109 -10.217 -9.385 1.00 0.00 H new ATOM 721 N GLU A 52 5.817 -13.297 -11.401 1.00 0.00 N ATOM 722 CA GLU A 52 4.602 -13.810 -12.022 1.00 0.00 C ATOM 723 C GLU A 52 3.361 -13.255 -11.329 1.00 0.00 C ATOM 724 O GLU A 52 2.360 -12.949 -11.977 1.00 0.00 O ATOM 725 CB GLU A 52 4.585 -15.339 -11.975 1.00 0.00 C ATOM 726 CG GLU A 52 3.792 -15.974 -13.104 1.00 0.00 C ATOM 727 CD GLU A 52 4.423 -15.742 -14.463 1.00 0.00 C ATOM 728 OE1 GLU A 52 5.327 -16.517 -14.838 1.00 0.00 O ATOM 729 OE2 GLU A 52 4.012 -14.784 -15.151 1.00 0.00 O ATOM 0 H GLU A 52 6.122 -13.817 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 52 4.592 -13.486 -13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.611 -15.707 -12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.165 -15.660 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.707 -17.046 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.780 -15.570 -13.104 1.00 0.00 H new ATOM 736 N ASP A 53 3.434 -13.129 -10.008 1.00 0.00 N ATOM 737 CA ASP A 53 2.318 -12.611 -9.226 1.00 0.00 C ATOM 738 C ASP A 53 2.812 -11.680 -8.124 1.00 0.00 C ATOM 739 O ASP A 53 3.950 -11.792 -7.668 1.00 0.00 O ATOM 740 CB ASP A 53 1.516 -13.763 -8.617 1.00 0.00 C ATOM 741 CG ASP A 53 1.208 -14.851 -9.626 1.00 0.00 C ATOM 742 OD1 ASP A 53 0.355 -14.618 -10.508 1.00 0.00 O ATOM 743 OD2 ASP A 53 1.820 -15.936 -9.534 1.00 0.00 O ATOM 0 H ASP A 53 4.255 -13.379 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 53 1.672 -12.042 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.075 -14.191 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.583 -13.376 -8.208 1.00 0.00 H new ATOM 748 N TRP A 54 1.951 -10.761 -7.703 1.00 0.00 N ATOM 749 CA TRP A 54 2.301 -9.809 -6.655 1.00 0.00 C ATOM 750 C TRP A 54 2.851 -10.528 -5.428 1.00 0.00 C ATOM 751 O TRP A 54 2.922 -11.757 -5.398 1.00 0.00 O ATOM 752 CB TRP A 54 1.079 -8.974 -6.267 1.00 0.00 C ATOM 753 CG TRP A 54 0.693 -7.968 -7.308 1.00 0.00 C ATOM 754 CD1 TRP A 54 0.361 -8.220 -8.608 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.600 -6.549 -7.135 1.00 0.00 C ATOM 756 NE1 TRP A 54 0.068 -7.043 -9.255 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.206 -6.004 -8.373 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.810 -5.687 -6.056 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.020 -4.637 -8.558 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.625 -4.330 -6.241 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.232 -3.816 -7.484 1.00 0.00 C ATOM 0 H TRP A 54 1.006 -10.655 -8.071 1.00 0.00 H new ATOM 0 HA TRP A 54 3.076 -9.148 -7.043 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.236 -9.640 -6.085 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.284 -8.456 -5.330 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.333 -9.200 -9.061 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.208 -6.957 -10.233 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.112 -6.074 -5.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.281 -4.238 -9.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.786 -3.654 -5.414 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.094 -2.751 -7.597 1.00 0.00 H new ATOM 772 N ILE A 55 3.239 -9.755 -4.419 1.00 0.00 N ATOM 773 CA ILE A 55 3.782 -10.320 -3.190 1.00 0.00 C ATOM 774 C ILE A 55 3.101 -9.722 -1.963 1.00 0.00 C ATOM 775 O ILE A 55 3.156 -8.513 -1.737 1.00 0.00 O ATOM 776 CB ILE A 55 5.300 -10.086 -3.086 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.003 -10.583 -4.351 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.860 -10.783 -1.854 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.328 -9.902 -4.613 1.00 0.00 C ATOM 0 H ILE A 55 3.187 -8.736 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 55 3.590 -11.392 -3.223 1.00 0.00 H new ATOM 0 HB ILE A 55 5.482 -9.016 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.166 -11.658 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.347 -10.425 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.934 -10.608 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.377 -10.386 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.670 -11.854 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.770 -10.304 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.169 -8.830 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.001 -10.081 -3.775 1.00 0.00 H new ATOM 791 N VAL A 56 2.462 -10.577 -1.172 1.00 0.00 N ATOM 792 CA VAL A 56 1.773 -10.135 0.034 1.00 0.00 C ATOM 793 C VAL A 56 2.759 -9.599 1.065 1.00 0.00 C ATOM 794 O VAL A 56 3.645 -10.319 1.525 1.00 0.00 O ATOM 795 CB VAL A 56 0.957 -11.278 0.667 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.263 -10.802 1.933 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.053 -11.826 -0.331 1.00 0.00 C ATOM 0 H VAL A 56 2.407 -11.581 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 56 1.094 -9.337 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 56 1.641 -12.083 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.308 -11.623 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.009 -10.461 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.410 -9.979 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.621 -12.633 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.734 -11.030 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.471 -12.208 -1.207 1.00 0.00 H new ATOM 807 N ALA A 57 2.600 -8.329 1.425 1.00 0.00 N ATOM 808 CA ALA A 57 3.475 -7.697 2.404 1.00 0.00 C ATOM 809 C ALA A 57 2.960 -7.915 3.822 1.00 0.00 C ATOM 810 O ALA A 57 3.686 -8.403 4.688 1.00 0.00 O ATOM 811 CB ALA A 57 3.607 -6.209 2.111 1.00 0.00 C ATOM 0 H ALA A 57 1.873 -7.718 1.053 1.00 0.00 H new ATOM 0 HA ALA A 57 4.459 -8.160 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.263 -5.749 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.028 -6.070 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.624 -5.740 2.158 1.00 0.00 H new ATOM 817 N ASN A 58 1.703 -7.550 4.054 1.00 0.00 N ATOM 818 CA ASN A 58 1.092 -7.705 5.369 1.00 0.00 C ATOM 819 C ASN A 58 0.721 -9.162 5.628 1.00 0.00 C ATOM 820 O ASN A 58 0.567 -9.950 4.695 1.00 0.00 O ATOM 821 CB ASN A 58 -0.152 -6.822 5.483 1.00 0.00 C ATOM 822 CG ASN A 58 -1.262 -7.263 4.548 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.005 -7.823 3.482 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.504 -7.012 4.945 1.00 0.00 N ATOM 0 H ASN A 58 1.088 -7.145 3.348 1.00 0.00 H new ATOM 0 HA ASN A 58 1.819 -7.395 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.516 -6.843 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.117 -5.789 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.292 -7.286 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.670 -6.545 5.837 1.00 0.00 H new ATOM 831 N LYS A 59 0.578 -9.513 6.901 1.00 0.00 N ATOM 832 CA LYS A 59 0.224 -10.874 7.285 1.00 0.00 C ATOM 833 C LYS A 59 -1.262 -11.134 7.056 1.00 0.00 C ATOM 834 O LYS A 59 -1.641 -11.842 6.122 1.00 0.00 O ATOM 835 CB LYS A 59 0.574 -11.119 8.754 1.00 0.00 C ATOM 836 CG LYS A 59 2.049 -11.395 8.990 1.00 0.00 C ATOM 837 CD LYS A 59 2.281 -12.086 10.323 1.00 0.00 C ATOM 838 CE LYS A 59 3.758 -12.367 10.555 1.00 0.00 C ATOM 839 NZ LYS A 59 4.023 -12.825 11.947 1.00 0.00 N ATOM 0 H LYS A 59 0.702 -8.873 7.685 1.00 0.00 H new ATOM 0 HA LYS A 59 0.796 -11.561 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.278 -10.249 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.008 -11.964 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.437 -12.018 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.604 -10.457 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.897 -11.461 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.723 -13.022 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.098 -13.127 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.335 -11.465 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.040 -13.006 12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.722 -12.089 12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.492 -13.700 12.132 1.00 0.00 H new ATOM 853 N ASP A 60 -2.098 -10.557 7.912 1.00 0.00 N ATOM 854 CA ASP A 60 -3.542 -10.725 7.800 1.00 0.00 C ATOM 855 C ASP A 60 -4.208 -9.424 7.362 1.00 0.00 C ATOM 856 O ASP A 60 -4.755 -9.334 6.262 1.00 0.00 O ATOM 857 CB ASP A 60 -4.128 -11.188 9.135 1.00 0.00 C ATOM 858 CG ASP A 60 -3.475 -10.505 10.321 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.273 -10.748 10.558 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.167 -9.729 11.014 1.00 0.00 O ATOM 0 H ASP A 60 -1.801 -9.969 8.691 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.737 -11.485 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.199 -10.987 9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.005 -12.267 9.228 1.00 0.00 H new ATOM 865 N LEU A 61 -4.159 -8.419 8.230 1.00 0.00 N ATOM 866 CA LEU A 61 -4.759 -7.123 7.933 1.00 0.00 C ATOM 867 C LEU A 61 -3.996 -5.999 8.628 1.00 0.00 C ATOM 868 O LEU A 61 -3.399 -6.201 9.685 1.00 0.00 O ATOM 869 CB LEU A 61 -6.225 -7.105 8.370 1.00 0.00 C ATOM 870 CG LEU A 61 -7.172 -8.006 7.577 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.401 -8.348 8.405 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.575 -7.337 6.271 1.00 0.00 C ATOM 0 H LEU A 61 -3.710 -8.477 9.144 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.706 -6.963 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.274 -7.394 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.590 -6.080 8.304 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.649 -8.933 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.064 -8.990 7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.095 -8.868 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.926 -7.431 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.249 -7.992 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.080 -6.395 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.685 -7.144 5.671 1.00 0.00 H new ATOM 884 N ILE A 62 -4.022 -4.814 8.026 1.00 0.00 N ATOM 885 CA ILE A 62 -3.335 -3.658 8.588 1.00 0.00 C ATOM 886 C ILE A 62 -4.302 -2.767 9.362 1.00 0.00 C ATOM 887 O ILE A 62 -5.140 -2.085 8.772 1.00 0.00 O ATOM 888 CB ILE A 62 -2.650 -2.821 7.492 1.00 0.00 C ATOM 889 CG1 ILE A 62 -1.773 -3.714 6.612 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.824 -1.706 8.114 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.558 -3.166 5.218 1.00 0.00 C ATOM 0 H ILE A 62 -4.511 -4.630 7.150 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.575 -4.043 9.268 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.420 -2.369 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.805 -3.847 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.231 -4.700 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.346 -1.124 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.473 -1.057 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.060 -2.137 8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.927 -3.851 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.520 -3.059 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.072 -2.193 5.281 1.00 0.00 H new ATOM 903 N ASP A 63 -4.178 -2.777 10.684 1.00 0.00 N ATOM 904 CA ASP A 63 -5.039 -1.968 11.539 1.00 0.00 C ATOM 905 C ASP A 63 -4.871 -0.484 11.231 1.00 0.00 C ATOM 906 O ASP A 63 -5.848 0.227 10.997 1.00 0.00 O ATOM 907 CB ASP A 63 -4.726 -2.234 13.013 1.00 0.00 C ATOM 908 CG ASP A 63 -5.709 -1.555 13.945 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.917 -1.544 13.628 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.271 -1.034 14.993 1.00 0.00 O ATOM 0 H ASP A 63 -3.490 -3.336 11.187 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.073 -2.248 11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.739 -3.308 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.718 -1.885 13.236 1.00 0.00 H new ATOM 915 N LYS A 64 -3.625 -0.022 11.232 1.00 0.00 N ATOM 916 CA LYS A 64 -3.327 1.378 10.952 1.00 0.00 C ATOM 917 C LYS A 64 -3.480 1.680 9.465 1.00 0.00 C ATOM 918 O LYS A 64 -3.611 0.769 8.646 1.00 0.00 O ATOM 919 CB LYS A 64 -1.908 1.720 11.410 1.00 0.00 C ATOM 920 CG LYS A 64 -1.748 1.759 12.920 1.00 0.00 C ATOM 921 CD LYS A 64 -0.415 2.364 13.325 1.00 0.00 C ATOM 922 CE LYS A 64 0.700 1.329 13.290 1.00 0.00 C ATOM 923 NZ LYS A 64 1.927 1.813 13.980 1.00 0.00 N ATOM 0 H LYS A 64 -2.805 -0.597 11.424 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.038 1.992 11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.216 0.985 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.626 2.689 10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.560 2.340 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.827 0.749 13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.169 3.188 12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.494 2.782 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.356 0.409 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.938 1.086 12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.663 1.080 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.270 2.677 13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.707 2.021 14.975 1.00 0.00 H new ATOM 937 N THR A 65 -3.460 2.964 9.121 1.00 0.00 N ATOM 938 CA THR A 65 -3.596 3.385 7.733 1.00 0.00 C ATOM 939 C THR A 65 -2.233 3.513 7.061 1.00 0.00 C ATOM 940 O THR A 65 -2.123 4.031 5.950 1.00 0.00 O ATOM 941 CB THR A 65 -4.337 4.731 7.624 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.637 5.737 8.364 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.760 4.609 8.147 1.00 0.00 C ATOM 0 H THR A 65 -3.351 3.730 9.785 1.00 0.00 H new ATOM 0 HA THR A 65 -4.178 2.616 7.225 1.00 0.00 H new ATOM 0 HB THR A 65 -4.376 5.015 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.114 6.590 8.288 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.263 5.572 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.300 3.863 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.738 4.304 9.193 1.00 0.00 H new ATOM 951 N LYS A 66 -1.196 3.037 7.742 1.00 0.00 N ATOM 952 CA LYS A 66 0.160 3.096 7.212 1.00 0.00 C ATOM 953 C LYS A 66 0.800 1.711 7.198 1.00 0.00 C ATOM 954 O LYS A 66 0.403 0.826 7.955 1.00 0.00 O ATOM 955 CB LYS A 66 1.015 4.055 8.044 1.00 0.00 C ATOM 956 CG LYS A 66 0.983 5.489 7.542 1.00 0.00 C ATOM 957 CD LYS A 66 1.979 6.362 8.286 1.00 0.00 C ATOM 958 CE LYS A 66 3.401 6.125 7.799 1.00 0.00 C ATOM 959 NZ LYS A 66 4.409 6.711 8.725 1.00 0.00 N ATOM 0 H LYS A 66 -1.270 2.606 8.663 1.00 0.00 H new ATOM 0 HA LYS A 66 0.106 3.463 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.670 4.033 9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.046 3.702 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.207 5.507 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.021 5.896 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.717 7.411 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.920 6.154 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.577 5.054 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.523 6.560 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.074 7.302 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.927 7.295 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.931 5.946 9.199 1.00 0.00 H new ATOM 973 N PHE A 67 1.792 1.531 6.333 1.00 0.00 N ATOM 974 CA PHE A 67 2.487 0.254 6.221 1.00 0.00 C ATOM 975 C PHE A 67 3.932 0.458 5.773 1.00 0.00 C ATOM 976 O PHE A 67 4.268 1.473 5.163 1.00 0.00 O ATOM 977 CB PHE A 67 1.760 -0.661 5.234 1.00 0.00 C ATOM 978 CG PHE A 67 2.166 -2.104 5.344 1.00 0.00 C ATOM 979 CD1 PHE A 67 1.586 -2.929 6.294 1.00 0.00 C ATOM 980 CD2 PHE A 67 3.125 -2.633 4.497 1.00 0.00 C ATOM 981 CE1 PHE A 67 1.958 -4.256 6.397 1.00 0.00 C ATOM 982 CE2 PHE A 67 3.501 -3.960 4.595 1.00 0.00 C ATOM 983 CZ PHE A 67 2.916 -4.773 5.546 1.00 0.00 C ATOM 0 H PHE A 67 2.133 2.254 5.699 1.00 0.00 H new ATOM 0 HA PHE A 67 2.493 -0.215 7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.686 -0.580 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.953 -0.314 4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.835 -2.531 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.585 -2.002 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.500 -4.889 7.143 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.251 -4.360 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.207 -5.810 5.624 1.00 0.00 H new ATOM 993 N THR A 68 4.784 -0.515 6.082 1.00 0.00 N ATOM 994 CA THR A 68 6.192 -0.443 5.714 1.00 0.00 C ATOM 995 C THR A 68 6.691 -1.782 5.183 1.00 0.00 C ATOM 996 O THR A 68 6.687 -2.784 5.899 1.00 0.00 O ATOM 997 CB THR A 68 7.065 -0.020 6.911 1.00 0.00 C ATOM 998 OG1 THR A 68 6.669 1.276 7.373 1.00 0.00 O ATOM 999 CG2 THR A 68 8.536 0.000 6.528 1.00 0.00 C ATOM 0 H THR A 68 4.523 -1.362 6.586 1.00 0.00 H new ATOM 0 HA THR A 68 6.275 0.309 4.930 1.00 0.00 H new ATOM 0 HB THR A 68 6.924 -0.748 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.228 1.537 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.132 0.302 7.389 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.842 -0.995 6.206 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.690 0.708 5.714 1.00 0.00 H new ATOM 1007 N ILE A 69 7.120 -1.791 3.926 1.00 0.00 N ATOM 1008 CA ILE A 69 7.624 -3.008 3.301 1.00 0.00 C ATOM 1009 C ILE A 69 9.057 -3.296 3.735 1.00 0.00 C ATOM 1010 O ILE A 69 9.967 -2.507 3.475 1.00 0.00 O ATOM 1011 CB ILE A 69 7.574 -2.914 1.765 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.172 -2.511 1.302 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.983 -4.239 1.139 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.164 -1.724 0.011 1.00 0.00 C ATOM 0 H ILE A 69 7.129 -0.970 3.320 1.00 0.00 H new ATOM 0 HA ILE A 69 6.977 -3.822 3.628 1.00 0.00 H new ATOM 0 HB ILE A 69 8.278 -2.148 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.568 -3.410 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.697 -1.917 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.942 -4.156 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.999 -4.488 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.301 -5.023 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.137 -1.473 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.740 -0.808 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.609 -2.323 -0.783 1.00 0.00 H new ATOM 1026 N THR A 70 9.253 -4.433 4.396 1.00 0.00 N ATOM 1027 CA THR A 70 10.576 -4.826 4.865 1.00 0.00 C ATOM 1028 C THR A 70 11.263 -5.746 3.863 1.00 0.00 C ATOM 1029 O THR A 70 10.666 -6.703 3.372 1.00 0.00 O ATOM 1030 CB THR A 70 10.499 -5.537 6.229 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.529 -6.589 6.180 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.133 -4.555 7.332 1.00 0.00 C ATOM 0 H THR A 70 8.512 -5.098 4.619 1.00 0.00 H new ATOM 0 HA THR A 70 11.159 -3.911 4.973 1.00 0.00 H new ATOM 0 HB THR A 70 11.480 -5.958 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.546 -7.009 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.085 -5.081 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.889 -3.772 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.163 -4.108 7.114 1.00 0.00 H new ATOM 1040 N GLY A 71 12.525 -5.450 3.564 1.00 0.00 N ATOM 1041 CA GLY A 71 13.273 -6.261 2.621 1.00 0.00 C ATOM 1042 C GLY A 71 13.129 -5.773 1.194 1.00 0.00 C ATOM 1043 O GLY A 71 12.404 -6.370 0.396 1.00 0.00 O ATOM 0 H GLY A 71 13.042 -4.664 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.327 -6.256 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.932 -7.294 2.684 1.00 0.00 H new ATOM 1047 N LEU A 72 13.818 -4.685 0.870 1.00 0.00 N ATOM 1048 CA LEU A 72 13.762 -4.115 -0.472 1.00 0.00 C ATOM 1049 C LEU A 72 15.150 -3.691 -0.942 1.00 0.00 C ATOM 1050 O LEU A 72 15.840 -2.906 -0.290 1.00 0.00 O ATOM 1051 CB LEU A 72 12.813 -2.915 -0.499 1.00 0.00 C ATOM 1052 CG LEU A 72 11.330 -3.237 -0.680 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.488 -1.981 -0.519 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.085 -3.875 -2.040 1.00 0.00 C ATOM 0 H LEU A 72 14.422 -4.179 1.518 1.00 0.00 H new ATOM 0 HA LEU A 72 13.387 -4.882 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.933 -2.361 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.121 -2.251 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 72 11.035 -3.949 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.435 -2.229 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.641 -1.566 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.784 -1.246 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.024 -4.098 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.396 -3.187 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.659 -4.798 -2.118 1.00 0.00 H new ATOM 1066 N PRO A 73 15.570 -4.219 -2.101 1.00 0.00 N ATOM 1067 CA PRO A 73 16.878 -3.907 -2.685 1.00 0.00 C ATOM 1068 C PRO A 73 16.957 -2.473 -3.197 1.00 0.00 C ATOM 1069 O PRO A 73 16.112 -2.033 -3.977 1.00 0.00 O ATOM 1070 CB PRO A 73 16.992 -4.896 -3.848 1.00 0.00 C ATOM 1071 CG PRO A 73 15.583 -5.216 -4.213 1.00 0.00 C ATOM 1072 CD PRO A 73 14.800 -5.161 -2.931 1.00 0.00 C ATOM 0 HA PRO A 73 17.682 -3.993 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.529 -4.458 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.538 -5.792 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.196 -4.500 -4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.513 -6.203 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.781 -4.810 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.727 -6.142 -2.462 1.00 0.00 H new ATOM 1080 N THR A 74 17.978 -1.746 -2.754 1.00 0.00 N ATOM 1081 CA THR A 74 18.167 -0.361 -3.166 1.00 0.00 C ATOM 1082 C THR A 74 18.176 -0.237 -4.685 1.00 0.00 C ATOM 1083 O THR A 74 18.688 -1.110 -5.386 1.00 0.00 O ATOM 1084 CB THR A 74 19.481 0.217 -2.607 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.607 -0.107 -1.218 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.528 1.726 -2.788 1.00 0.00 C ATOM 0 H THR A 74 18.687 -2.094 -2.109 1.00 0.00 H new ATOM 0 HA THR A 74 17.329 0.207 -2.762 1.00 0.00 H new ATOM 0 HB THR A 74 20.311 -0.225 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.745 0.025 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.465 2.112 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.462 1.967 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.691 2.182 -2.259 1.00 0.00 H new ATOM 1094 N ASP A 75 17.608 0.854 -5.188 1.00 0.00 N ATOM 1095 CA ASP A 75 17.551 1.094 -6.625 1.00 0.00 C ATOM 1096 C ASP A 75 16.613 0.102 -7.305 1.00 0.00 C ATOM 1097 O ASP A 75 16.824 -0.278 -8.457 1.00 0.00 O ATOM 1098 CB ASP A 75 18.950 0.992 -7.236 1.00 0.00 C ATOM 1099 CG ASP A 75 19.032 1.634 -8.606 1.00 0.00 C ATOM 1100 OD1 ASP A 75 17.994 1.689 -9.299 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.133 2.083 -8.986 1.00 0.00 O ATOM 0 H ASP A 75 17.180 1.586 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 75 17.165 2.101 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.669 1.469 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.234 -0.058 -7.312 1.00 0.00 H new ATOM 1106 N ALA A 76 15.576 -0.314 -6.585 1.00 0.00 N ATOM 1107 CA ALA A 76 14.605 -1.260 -7.119 1.00 0.00 C ATOM 1108 C ALA A 76 13.228 -0.619 -7.250 1.00 0.00 C ATOM 1109 O ALA A 76 12.781 0.105 -6.359 1.00 0.00 O ATOM 1110 CB ALA A 76 14.532 -2.497 -6.235 1.00 0.00 C ATOM 0 H ALA A 76 15.387 -0.010 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 76 14.934 -1.557 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.803 -3.195 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.511 -2.975 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.230 -2.208 -5.228 1.00 0.00 H new ATOM 1116 N LYS A 77 12.559 -0.887 -8.366 1.00 0.00 N ATOM 1117 CA LYS A 77 11.231 -0.337 -8.614 1.00 0.00 C ATOM 1118 C LYS A 77 10.151 -1.381 -8.348 1.00 0.00 C ATOM 1119 O LYS A 77 10.238 -2.512 -8.826 1.00 0.00 O ATOM 1120 CB LYS A 77 11.126 0.165 -10.055 1.00 0.00 C ATOM 1121 CG LYS A 77 12.059 1.323 -10.366 1.00 0.00 C ATOM 1122 CD LYS A 77 12.045 1.670 -11.845 1.00 0.00 C ATOM 1123 CE LYS A 77 13.027 2.786 -12.166 1.00 0.00 C ATOM 1124 NZ LYS A 77 14.428 2.287 -12.239 1.00 0.00 N ATOM 0 H LYS A 77 12.915 -1.482 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 77 11.078 0.500 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.344 -0.659 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.099 0.475 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.763 2.196 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.073 1.066 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.295 0.785 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.040 1.973 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.756 3.247 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.957 3.562 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.067 3.077 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.696 1.870 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.501 1.565 -12.984 1.00 0.00 H new ATOM 1138 N ILE A 78 9.135 -0.993 -7.585 1.00 0.00 N ATOM 1139 CA ILE A 78 8.037 -1.894 -7.259 1.00 0.00 C ATOM 1140 C ILE A 78 6.695 -1.174 -7.325 1.00 0.00 C ATOM 1141 O ILE A 78 6.621 0.041 -7.134 1.00 0.00 O ATOM 1142 CB ILE A 78 8.210 -2.507 -5.856 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.273 -1.403 -4.798 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.462 -3.369 -5.805 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.883 -1.871 -3.413 1.00 0.00 C ATOM 0 H ILE A 78 9.049 -0.060 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 78 8.054 -2.692 -8.001 1.00 0.00 H new ATOM 0 HB ILE A 78 7.348 -3.140 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.285 -1.000 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.614 -0.587 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.570 -3.795 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.380 -4.173 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.334 -2.757 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.951 -1.037 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.860 -2.247 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.557 -2.666 -3.095 1.00 0.00 H new ATOM 1157 N PHE A 79 5.636 -1.930 -7.594 1.00 0.00 N ATOM 1158 CA PHE A 79 4.296 -1.364 -7.685 1.00 0.00 C ATOM 1159 C PHE A 79 3.506 -1.630 -6.407 1.00 0.00 C ATOM 1160 O PHE A 79 3.373 -2.774 -5.972 1.00 0.00 O ATOM 1161 CB PHE A 79 3.552 -1.948 -8.888 1.00 0.00 C ATOM 1162 CG PHE A 79 4.293 -1.788 -10.185 1.00 0.00 C ATOM 1163 CD1 PHE A 79 5.303 -2.669 -10.534 1.00 0.00 C ATOM 1164 CD2 PHE A 79 3.978 -0.757 -11.055 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.987 -2.524 -11.726 1.00 0.00 C ATOM 1166 CE2 PHE A 79 4.657 -0.607 -12.250 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.662 -1.493 -12.586 1.00 0.00 C ATOM 0 H PHE A 79 5.680 -2.937 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 79 4.392 -0.286 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.368 -3.008 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.578 -1.465 -8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.559 -3.479 -9.867 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.193 -0.062 -10.797 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.775 -3.216 -11.985 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.402 0.201 -12.919 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.193 -1.380 -13.520 1.00 0.00 H new ATOM 1177 N VAL A 80 2.983 -0.564 -5.808 1.00 0.00 N ATOM 1178 CA VAL A 80 2.206 -0.680 -4.580 1.00 0.00 C ATOM 1179 C VAL A 80 0.749 -0.300 -4.814 1.00 0.00 C ATOM 1180 O VAL A 80 0.451 0.614 -5.583 1.00 0.00 O ATOM 1181 CB VAL A 80 2.784 0.208 -3.463 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.973 0.056 -2.185 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.248 -0.129 -3.219 1.00 0.00 C ATOM 0 H VAL A 80 3.084 0.390 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 80 2.261 -1.723 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 80 2.722 1.249 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.397 0.691 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.941 0.351 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.000 -0.984 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.641 0.508 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.336 -1.174 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.817 0.037 -4.134 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.157 -1.006 -4.145 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.584 -0.743 -4.281 1.00 0.00 C ATOM 1195 C ARG A 81 -2.345 -1.226 -3.049 1.00 0.00 C ATOM 1196 O ARG A 81 -1.970 -2.218 -2.424 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.134 -1.426 -5.534 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.296 -2.930 -5.386 1.00 0.00 C ATOM 1199 CD ARG A 81 -3.703 -3.297 -4.940 1.00 0.00 C ATOM 1200 NE ARG A 81 -3.802 -3.418 -3.487 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.412 -4.492 -2.811 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -2.898 -5.533 -3.451 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.534 -4.526 -1.490 1.00 0.00 N ATOM 0 H ARG A 81 0.073 -1.765 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.722 0.334 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.101 -0.988 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.467 -1.222 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.076 -3.416 -6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.574 -3.305 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.404 -2.539 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.996 -4.239 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.192 -2.634 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.801 -5.511 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.599 -6.356 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.928 -3.727 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.234 -5.351 -0.971 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.417 -0.517 -2.707 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.231 -0.874 -1.551 1.00 0.00 C ATOM 1219 C VAL A 82 -5.713 -0.892 -1.908 1.00 0.00 C ATOM 1220 O VAL A 82 -6.119 -0.373 -2.948 1.00 0.00 O ATOM 1221 CB VAL A 82 -4.008 0.106 -0.383 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.576 0.015 0.124 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.341 1.527 -0.809 1.00 0.00 C ATOM 0 H VAL A 82 -3.741 0.307 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.922 -1.872 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.676 -0.170 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.437 0.714 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.376 -0.999 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.888 0.265 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.178 2.206 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.700 1.817 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.385 1.579 -1.120 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.518 -1.493 -1.038 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.957 -1.578 -1.259 1.00 0.00 C ATOM 1235 C LYS A 83 -8.696 -1.818 0.054 1.00 0.00 C ATOM 1236 O LYS A 83 -8.078 -2.084 1.084 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.276 -2.701 -2.248 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.523 -3.990 -1.969 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.277 -4.875 -0.990 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.616 -6.238 -0.848 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.731 -7.043 -2.095 1.00 0.00 N ATOM 0 H LYS A 83 -6.198 -1.929 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.292 -0.628 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.347 -2.903 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.039 -2.363 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.366 -4.530 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.538 -3.757 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.321 -4.387 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.305 -5.002 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.564 -6.107 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.076 -6.780 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.504 -8.037 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.702 -6.978 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.067 -6.677 -2.807 1.00 0.00 H new ATOM 1255 N ALA A 84 -10.020 -1.723 0.008 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.843 -1.932 1.193 1.00 0.00 C ATOM 1257 C ALA A 84 -11.333 -3.374 1.273 1.00 0.00 C ATOM 1258 O ALA A 84 -11.641 -3.993 0.254 1.00 0.00 O ATOM 1259 CB ALA A 84 -12.022 -0.971 1.194 1.00 0.00 C ATOM 0 H ALA A 84 -10.546 -1.503 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.228 -1.735 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.627 -1.139 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.655 0.055 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.630 -1.140 0.305 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.402 -3.904 2.490 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.856 -5.274 2.702 1.00 0.00 C ATOM 1267 C VAL A 85 -12.767 -5.368 3.920 1.00 0.00 C ATOM 1268 O VAL A 85 -12.386 -4.983 5.025 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.667 -6.236 2.888 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.161 -7.646 3.173 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.767 -6.214 1.662 1.00 0.00 C ATOM 0 H VAL A 85 -11.150 -3.406 3.344 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.414 -5.565 1.812 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.082 -5.902 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.307 -8.312 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.760 -7.644 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.770 -7.994 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.932 -6.899 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.338 -6.522 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.385 -5.205 1.509 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.974 -5.883 3.711 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.942 -6.029 4.792 1.00 0.00 C ATOM 1283 C ASN A 86 -15.764 -7.303 4.620 1.00 0.00 C ATOM 1284 O ASN A 86 -15.719 -7.945 3.571 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.870 -4.813 4.841 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.097 -4.203 3.471 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.016 -4.593 2.751 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.257 -3.241 3.105 1.00 0.00 N ATOM 0 H ASN A 86 -14.305 -6.206 2.802 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.392 -6.097 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.829 -5.108 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.444 -4.061 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.360 -2.794 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.509 -2.950 3.735 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.513 -7.661 5.657 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.347 -8.856 5.619 1.00 0.00 C ATOM 1297 C ALA A 87 -18.269 -8.845 4.405 1.00 0.00 C ATOM 1298 O ALA A 87 -18.754 -9.889 3.972 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.160 -8.973 6.900 1.00 0.00 C ATOM 0 H ALA A 87 -16.560 -7.141 6.533 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.692 -9.723 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.778 -9.870 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.486 -9.037 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.799 -8.096 7.007 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.508 -7.656 3.860 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.370 -7.509 2.694 1.00 0.00 C ATOM 1307 C ALA A 88 -18.643 -7.918 1.418 1.00 0.00 C ATOM 1308 O ALA A 88 -19.100 -8.795 0.686 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.869 -6.076 2.584 1.00 0.00 C ATOM 0 H ALA A 88 -18.116 -6.781 4.208 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.226 -8.171 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.512 -5.981 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.435 -5.818 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.019 -5.401 2.485 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.509 -7.275 1.157 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.738 -7.586 -0.033 1.00 0.00 C ATOM 1317 C GLY A 89 -15.478 -6.749 -0.142 1.00 0.00 C ATOM 1318 O GLY A 89 -15.089 -6.074 0.810 1.00 0.00 O ATOM 0 H GLY A 89 -17.111 -6.545 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.469 -8.642 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.356 -7.423 -0.916 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.839 -6.794 -1.306 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.617 -6.034 -1.536 1.00 0.00 C ATOM 1324 C ALA A 90 -13.836 -4.945 -2.581 1.00 0.00 C ATOM 1325 O ALA A 90 -14.805 -4.985 -3.340 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.491 -6.962 -1.967 1.00 0.00 C ATOM 0 H ALA A 90 -15.147 -7.349 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.337 -5.552 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.585 -6.381 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.309 -7.700 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.772 -7.471 -2.889 1.00 0.00 H new ATOM 1332 N SER A 91 -12.931 -3.972 -2.615 1.00 0.00 N ATOM 1333 CA SER A 91 -13.028 -2.870 -3.564 1.00 0.00 C ATOM 1334 C SER A 91 -11.898 -2.932 -4.587 1.00 0.00 C ATOM 1335 O SER A 91 -10.836 -3.493 -4.320 1.00 0.00 O ATOM 1336 CB SER A 91 -12.990 -1.529 -2.827 1.00 0.00 C ATOM 1337 OG SER A 91 -11.816 -1.413 -2.041 1.00 0.00 O ATOM 0 H SER A 91 -12.122 -3.925 -1.996 1.00 0.00 H new ATOM 0 HA SER A 91 -13.978 -2.961 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.031 -0.713 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.869 -1.436 -2.189 1.00 0.00 H new ATOM 0 HG SER A 91 -11.638 -0.467 -1.857 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.137 -2.353 -5.760 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.140 -2.344 -6.824 1.00 0.00 C ATOM 1345 C GLU A 92 -9.783 -1.889 -6.294 1.00 0.00 C ATOM 1346 O GLU A 92 -9.687 -1.018 -5.429 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.588 -1.428 -7.965 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.499 0.051 -7.629 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.861 0.939 -8.803 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.101 0.951 -9.794 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.904 1.622 -8.732 1.00 0.00 O ATOM 0 H GLU A 92 -13.012 -1.885 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.040 -3.361 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.975 -1.630 -8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.617 -1.670 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.164 0.271 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.486 0.285 -7.300 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.709 -2.491 -6.826 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.338 -2.164 -6.422 1.00 0.00 C ATOM 1360 C PRO A 93 -6.912 -0.776 -6.888 1.00 0.00 C ATOM 1361 O PRO A 93 -7.223 -0.362 -8.005 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.499 -3.242 -7.114 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.314 -3.661 -8.288 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.750 -3.537 -7.861 1.00 0.00 C ATOM 0 HA PRO A 93 -7.225 -2.146 -5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.530 -2.851 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.305 -4.082 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.108 -3.029 -9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.081 -4.685 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.394 -3.253 -8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.135 -4.478 -7.467 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.198 -0.061 -6.025 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.727 1.280 -6.347 1.00 0.00 C ATOM 1374 C LYS A 94 -4.270 1.251 -6.799 1.00 0.00 C ATOM 1375 O LYS A 94 -3.356 1.197 -5.975 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.878 2.201 -5.135 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.115 3.509 -5.265 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.779 4.444 -6.262 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.537 5.902 -5.904 1.00 0.00 C ATOM 1380 NZ LYS A 94 -5.960 6.820 -6.998 1.00 0.00 N ATOM 0 H LYS A 94 -5.933 -0.389 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.335 1.665 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.935 2.420 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.532 1.676 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.056 3.996 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.092 3.305 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.393 4.245 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.851 4.248 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.083 6.147 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.478 6.053 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.779 7.804 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.422 6.603 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.976 6.695 -7.183 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.061 1.289 -8.110 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.715 1.266 -8.670 1.00 0.00 C ATOM 1396 C TYR A 95 -2.082 2.654 -8.624 1.00 0.00 C ATOM 1397 O TYR A 95 -2.642 3.622 -9.139 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.749 0.757 -10.112 1.00 0.00 C ATOM 1399 CG TYR A 95 -2.777 -0.751 -10.221 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -3.840 -1.484 -9.710 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -1.741 -1.442 -10.837 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.870 -2.862 -9.807 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -1.762 -2.819 -10.940 1.00 0.00 C ATOM 1404 CZ TYR A 95 -2.829 -3.525 -10.423 1.00 0.00 C ATOM 1405 OH TYR A 95 -2.855 -4.897 -10.523 1.00 0.00 O ATOM 0 H TYR A 95 -4.806 1.336 -8.805 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.109 0.590 -8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.627 1.165 -10.612 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.875 1.135 -10.643 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.657 -0.968 -9.228 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.904 -0.892 -11.243 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.704 -3.417 -9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.948 -3.340 -11.422 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.096 -5.275 -10.032 1.00 0.00 H new ATOM 1415 N TYR A 96 -0.911 2.741 -8.003 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.201 4.010 -7.887 1.00 0.00 C ATOM 1417 C TYR A 96 0.284 4.490 -9.251 1.00 0.00 C ATOM 1418 O TYR A 96 0.954 3.756 -9.978 1.00 0.00 O ATOM 1419 CB TYR A 96 0.987 3.868 -6.933 1.00 0.00 C ATOM 1420 CG TYR A 96 1.575 5.191 -6.498 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.103 6.078 -7.428 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.604 5.554 -5.157 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.642 7.288 -7.035 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.140 6.762 -4.755 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.659 7.625 -5.698 1.00 0.00 C ATOM 1426 OH TYR A 96 3.194 8.829 -5.302 1.00 0.00 O ATOM 0 H TYR A 96 -0.433 1.949 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.895 4.750 -7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.669 3.313 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.763 3.277 -7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.092 5.817 -8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.200 4.880 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.048 7.966 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.153 7.029 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 96 3.127 8.912 -4.328 1.00 0.00 H new ATOM 1436 N SER A 97 -0.060 5.728 -9.592 1.00 0.00 N ATOM 1437 CA SER A 97 0.337 6.307 -10.870 1.00 0.00 C ATOM 1438 C SER A 97 1.723 5.820 -11.281 1.00 0.00 C ATOM 1439 O SER A 97 1.860 4.995 -12.184 1.00 0.00 O ATOM 1440 CB SER A 97 0.324 7.835 -10.788 1.00 0.00 C ATOM 1441 OG SER A 97 -0.989 8.323 -10.571 1.00 0.00 O ATOM 0 H SER A 97 -0.613 6.349 -9.001 1.00 0.00 H new ATOM 0 HA SER A 97 -0.380 5.985 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.976 8.164 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.724 8.255 -11.711 1.00 0.00 H new ATOM 0 HG SER A 97 -0.970 9.302 -10.521 1.00 0.00 H new ATOM 1447 N GLN A 98 2.748 6.337 -10.610 1.00 0.00 N ATOM 1448 CA GLN A 98 4.124 5.956 -10.905 1.00 0.00 C ATOM 1449 C GLN A 98 4.647 4.962 -9.873 1.00 0.00 C ATOM 1450 O GLN A 98 4.219 4.946 -8.719 1.00 0.00 O ATOM 1451 CB GLN A 98 5.022 7.194 -10.940 1.00 0.00 C ATOM 1452 CG GLN A 98 5.596 7.567 -9.582 1.00 0.00 C ATOM 1453 CD GLN A 98 5.923 9.043 -9.473 1.00 0.00 C ATOM 1454 OE1 GLN A 98 5.030 9.890 -9.473 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.210 9.359 -9.379 1.00 0.00 N ATOM 0 H GLN A 98 2.651 7.020 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 98 4.140 5.477 -11.884 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.842 7.018 -11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.450 8.037 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.882 7.298 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.499 6.984 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.917 8.624 -9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.491 10.337 -9.303 1.00 0.00 H new ATOM 1464 N PRO A 99 5.594 4.112 -10.296 1.00 0.00 N ATOM 1465 CA PRO A 99 6.196 3.100 -9.424 1.00 0.00 C ATOM 1466 C PRO A 99 7.088 3.715 -8.351 1.00 0.00 C ATOM 1467 O PRO A 99 7.667 4.784 -8.550 1.00 0.00 O ATOM 1468 CB PRO A 99 7.027 2.249 -10.388 1.00 0.00 C ATOM 1469 CG PRO A 99 7.337 3.160 -11.525 1.00 0.00 C ATOM 1470 CD PRO A 99 6.151 4.075 -11.659 1.00 0.00 C ATOM 0 HA PRO A 99 5.442 2.534 -8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.938 1.886 -9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.471 1.373 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.248 3.727 -11.333 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.500 2.596 -12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.446 5.068 -12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.427 3.692 -12.379 1.00 0.00 H new ATOM 1478 N ILE A 100 7.197 3.034 -7.216 1.00 0.00 N ATOM 1479 CA ILE A 100 8.020 3.513 -6.113 1.00 0.00 C ATOM 1480 C ILE A 100 9.443 2.972 -6.214 1.00 0.00 C ATOM 1481 O ILE A 100 9.651 1.780 -6.443 1.00 0.00 O ATOM 1482 CB ILE A 100 7.426 3.112 -4.750 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.049 3.752 -4.561 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.364 3.518 -3.623 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.928 2.979 -5.218 1.00 0.00 C ATOM 0 H ILE A 100 6.725 2.148 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 100 8.041 4.600 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 100 7.309 2.029 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.842 3.841 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.069 4.763 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.930 3.228 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.325 3.020 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.510 4.598 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.982 3.491 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.112 2.912 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.881 1.976 -4.795 1.00 0.00 H new ATOM 1497 N LEU A 101 10.419 3.856 -6.040 1.00 0.00 N ATOM 1498 CA LEU A 101 11.824 3.468 -6.109 1.00 0.00 C ATOM 1499 C LEU A 101 12.470 3.513 -4.728 1.00 0.00 C ATOM 1500 O LEU A 101 12.810 4.584 -4.225 1.00 0.00 O ATOM 1501 CB LEU A 101 12.581 4.387 -7.069 1.00 0.00 C ATOM 1502 CG LEU A 101 14.091 4.167 -7.158 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.407 2.981 -8.055 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.784 5.423 -7.667 1.00 0.00 C ATOM 0 H LEU A 101 10.264 4.846 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 101 11.875 2.444 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.157 4.266 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.402 5.419 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 101 14.466 3.949 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.487 2.841 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.943 2.083 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.018 3.168 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.858 5.248 -7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.404 5.672 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.587 6.249 -6.984 1.00 0.00 H new ATOM 1516 N VAL A 102 12.639 2.343 -4.120 1.00 0.00 N ATOM 1517 CA VAL A 102 13.248 2.248 -2.799 1.00 0.00 C ATOM 1518 C VAL A 102 14.641 2.866 -2.791 1.00 0.00 C ATOM 1519 O VAL A 102 15.642 2.170 -2.964 1.00 0.00 O ATOM 1520 CB VAL A 102 13.344 0.785 -2.329 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.108 -0.053 -3.343 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.000 0.708 -0.959 1.00 0.00 C ATOM 0 H VAL A 102 12.362 1.447 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 102 12.605 2.800 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 102 12.335 0.381 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.166 -1.084 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.592 -0.023 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.115 0.347 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.060 -0.333 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.004 1.129 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.407 1.273 -0.239 1.00 0.00 H new ATOM 1532 N LYS A 103 14.700 4.178 -2.587 1.00 0.00 N ATOM 1533 CA LYS A 103 15.971 4.892 -2.554 1.00 0.00 C ATOM 1534 C LYS A 103 15.990 5.917 -1.425 1.00 0.00 C ATOM 1535 O LYS A 103 15.006 6.620 -1.197 1.00 0.00 O ATOM 1536 CB LYS A 103 16.223 5.588 -3.893 1.00 0.00 C ATOM 1537 CG LYS A 103 17.661 6.042 -4.081 1.00 0.00 C ATOM 1538 CD LYS A 103 18.558 4.891 -4.503 1.00 0.00 C ATOM 1539 CE LYS A 103 19.717 5.374 -5.362 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.859 5.851 -4.535 1.00 0.00 N ATOM 0 H LYS A 103 13.881 4.769 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 103 16.763 4.165 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.957 4.908 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.564 6.453 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.699 6.829 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.032 6.472 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.945 4.387 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 103 17.973 4.157 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.051 4.564 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.376 6.181 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.628 6.172 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.547 6.641 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.201 5.074 -3.934 1.00 0.00 H new ATOM 1554 N GLU A 104 17.116 5.996 -0.722 1.00 0.00 N ATOM 1555 CA GLU A 104 17.261 6.936 0.383 1.00 0.00 C ATOM 1556 C GLU A 104 17.543 8.344 -0.135 1.00 0.00 C ATOM 1557 O GLU A 104 17.961 8.525 -1.278 1.00 0.00 O ATOM 1558 CB GLU A 104 18.387 6.489 1.317 1.00 0.00 C ATOM 1559 CG GLU A 104 18.226 6.983 2.745 1.00 0.00 C ATOM 1560 CD GLU A 104 18.872 8.336 2.971 1.00 0.00 C ATOM 1561 OE1 GLU A 104 19.854 8.651 2.266 1.00 0.00 O ATOM 1562 OE2 GLU A 104 18.396 9.081 3.853 1.00 0.00 O ATOM 0 H GLU A 104 17.940 5.421 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 104 16.323 6.953 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.433 5.400 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.338 6.847 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.165 7.047 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.665 6.256 3.428 1.00 0.00 H new ATOM 1569 N SER A 105 17.310 9.338 0.716 1.00 0.00 N ATOM 1570 CA SER A 105 17.534 10.731 0.345 1.00 0.00 C ATOM 1571 C SER A 105 18.804 10.873 -0.488 1.00 0.00 C ATOM 1572 O SER A 105 18.790 11.470 -1.564 1.00 0.00 O ATOM 1573 CB SER A 105 17.631 11.605 1.597 1.00 0.00 C ATOM 1574 OG SER A 105 16.400 11.629 2.299 1.00 0.00 O ATOM 0 H SER A 105 16.966 9.205 1.667 1.00 0.00 H new ATOM 0 HA SER A 105 16.687 11.062 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.418 11.226 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.912 12.620 1.315 1.00 0.00 H new ATOM 0 HG SER A 105 16.489 12.193 3.096 1.00 0.00 H new ATOM 1580 N GLY A 106 19.902 10.320 0.018 1.00 0.00 N ATOM 1581 CA GLY A 106 21.166 10.395 -0.691 1.00 0.00 C ATOM 1582 C GLY A 106 22.288 10.924 0.180 1.00 0.00 C ATOM 1583 O GLY A 106 22.241 10.844 1.407 1.00 0.00 O ATOM 0 H GLY A 106 19.939 9.821 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 106 21.432 9.404 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 106 21.052 11.039 -1.563 1.00 0.00 H new ATOM 1587 N PRO A 107 23.329 11.477 -0.461 1.00 0.00 N ATOM 1588 CA PRO A 107 24.489 12.030 0.244 1.00 0.00 C ATOM 1589 C PRO A 107 24.151 13.308 1.003 1.00 0.00 C ATOM 1590 O PRO A 107 25.023 13.931 1.609 1.00 0.00 O ATOM 1591 CB PRO A 107 25.482 12.324 -0.883 1.00 0.00 C ATOM 1592 CG PRO A 107 24.634 12.519 -2.093 1.00 0.00 C ATOM 1593 CD PRO A 107 23.453 11.605 -1.923 1.00 0.00 C ATOM 0 HA PRO A 107 24.872 11.344 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 107 26.074 13.213 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 107 26.182 11.500 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 107 24.314 13.557 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 107 25.187 12.277 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 107 22.551 12.026 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 107 23.621 10.639 -2.398 1.00 0.00 H new ATOM 1601 N SER A 108 22.879 13.694 0.967 1.00 0.00 N ATOM 1602 CA SER A 108 22.426 14.901 1.649 1.00 0.00 C ATOM 1603 C SER A 108 23.154 15.079 2.978 1.00 0.00 C ATOM 1604 O SER A 108 23.109 14.206 3.845 1.00 0.00 O ATOM 1605 CB SER A 108 20.916 14.842 1.885 1.00 0.00 C ATOM 1606 OG SER A 108 20.413 16.106 2.281 1.00 0.00 O ATOM 0 H SER A 108 22.144 13.188 0.473 1.00 0.00 H new ATOM 0 HA SER A 108 22.654 15.756 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 108 20.415 14.517 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.693 14.101 2.653 1.00 0.00 H new ATOM 0 HG SER A 108 19.446 16.043 2.424 1.00 0.00 H new ATOM 1612 N SER A 109 23.824 16.216 3.131 1.00 0.00 N ATOM 1613 CA SER A 109 24.565 16.509 4.352 1.00 0.00 C ATOM 1614 C SER A 109 23.776 17.453 5.253 1.00 0.00 C ATOM 1615 O SER A 109 23.289 18.492 4.809 1.00 0.00 O ATOM 1616 CB SER A 109 25.924 17.125 4.014 1.00 0.00 C ATOM 1617 OG SER A 109 26.909 16.122 3.836 1.00 0.00 O ATOM 0 H SER A 109 23.869 16.950 2.424 1.00 0.00 H new ATOM 0 HA SER A 109 24.722 15.572 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 109 25.840 17.722 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.229 17.801 4.813 1.00 0.00 H new ATOM 0 HG SER A 109 27.768 16.542 3.619 1.00 0.00 H new ATOM 1623 N GLY A 110 23.654 17.084 6.525 1.00 0.00 N ATOM 1624 CA GLY A 110 22.923 17.908 7.470 1.00 0.00 C ATOM 1625 C GLY A 110 23.615 18.000 8.815 1.00 0.00 C ATOM 1626 O GLY A 110 23.924 19.093 9.288 1.00 0.00 O ATOM 0 H GLY A 110 24.048 16.229 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.803 18.910 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.922 17.498 7.607 1.00 0.00 H new TER 1630 GLY A 110