USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -5.56! C(o=-7.3!,f=-5.6!) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.632) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.251 F(o=-0.9,f=-0.25) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.311 (180deg=-1) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -105:sc= 0.7! USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 32:sc= 0.277 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.469 -16.659 11.286 1.00 0.00 N ATOM 2 CA GLY A 1 -7.111 -16.273 10.948 1.00 0.00 C ATOM 3 C GLY A 1 -7.018 -15.625 9.580 1.00 0.00 C ATOM 4 O GLY A 1 -7.458 -14.491 9.393 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.481 -17.097 12.229 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.079 -15.817 11.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.821 -17.340 10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.735 -15.581 11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.469 -17.153 10.975 1.00 0.00 H new ATOM 8 N SER A 2 -6.440 -16.345 8.624 1.00 0.00 N ATOM 9 CA SER A 2 -6.284 -15.830 7.269 1.00 0.00 C ATOM 10 C SER A 2 -5.176 -14.784 7.209 1.00 0.00 C ATOM 11 O SER A 2 -5.368 -13.689 6.679 1.00 0.00 O ATOM 12 CB SER A 2 -7.600 -15.224 6.776 1.00 0.00 C ATOM 13 OG SER A 2 -7.721 -15.344 5.369 1.00 0.00 O ATOM 0 H SER A 2 -6.072 -17.286 8.763 1.00 0.00 H new ATOM 0 HA SER A 2 -6.010 -16.662 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.438 -15.724 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.649 -14.173 7.060 1.00 0.00 H new ATOM 0 HG SER A 2 -8.571 -14.951 5.079 1.00 0.00 H new ATOM 19 N SER A 3 -4.015 -15.129 7.756 1.00 0.00 N ATOM 20 CA SER A 3 -2.875 -14.219 7.768 1.00 0.00 C ATOM 21 C SER A 3 -1.947 -14.493 6.588 1.00 0.00 C ATOM 22 O SER A 3 -0.918 -15.151 6.733 1.00 0.00 O ATOM 23 CB SER A 3 -2.102 -14.356 9.081 1.00 0.00 C ATOM 24 OG SER A 3 -1.403 -13.161 9.387 1.00 0.00 O ATOM 0 H SER A 3 -3.839 -16.032 8.197 1.00 0.00 H new ATOM 0 HA SER A 3 -3.254 -13.201 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.792 -14.595 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.398 -15.185 9.008 1.00 0.00 H new ATOM 0 HG SER A 3 -0.918 -13.273 10.231 1.00 0.00 H new ATOM 30 N GLY A 4 -2.321 -13.984 5.418 1.00 0.00 N ATOM 31 CA GLY A 4 -1.514 -14.184 4.230 1.00 0.00 C ATOM 32 C GLY A 4 -0.068 -13.782 4.437 1.00 0.00 C ATOM 33 O GLY A 4 0.844 -14.577 4.208 1.00 0.00 O ATOM 0 H GLY A 4 -3.169 -13.436 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.558 -15.233 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.934 -13.606 3.407 1.00 0.00 H new ATOM 37 N SER A 5 0.143 -12.543 4.870 1.00 0.00 N ATOM 38 CA SER A 5 1.491 -12.035 5.102 1.00 0.00 C ATOM 39 C SER A 5 1.454 -10.775 5.963 1.00 0.00 C ATOM 40 O SER A 5 0.407 -10.148 6.121 1.00 0.00 O ATOM 41 CB SER A 5 2.183 -11.737 3.772 1.00 0.00 C ATOM 42 OG SER A 5 1.572 -10.641 3.112 1.00 0.00 O ATOM 0 H SER A 5 -0.601 -11.873 5.067 1.00 0.00 H new ATOM 0 HA SER A 5 2.056 -12.802 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.236 -11.518 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.143 -12.619 3.132 1.00 0.00 H new ATOM 0 HG SER A 5 2.034 -10.470 2.265 1.00 0.00 H new ATOM 48 N SER A 6 2.607 -10.413 6.519 1.00 0.00 N ATOM 49 CA SER A 6 2.707 -9.231 7.368 1.00 0.00 C ATOM 50 C SER A 6 2.575 -7.956 6.541 1.00 0.00 C ATOM 51 O SER A 6 1.723 -7.110 6.815 1.00 0.00 O ATOM 52 CB SER A 6 4.039 -9.230 8.120 1.00 0.00 C ATOM 53 OG SER A 6 3.955 -9.996 9.308 1.00 0.00 O ATOM 0 H SER A 6 3.483 -10.921 6.397 1.00 0.00 H new ATOM 0 HA SER A 6 1.891 -9.261 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.823 -9.633 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.322 -8.206 8.363 1.00 0.00 H new ATOM 0 HG SER A 6 4.820 -9.981 9.769 1.00 0.00 H new ATOM 59 N GLY A 7 3.425 -7.825 5.526 1.00 0.00 N ATOM 60 CA GLY A 7 3.388 -6.650 4.675 1.00 0.00 C ATOM 61 C GLY A 7 2.085 -6.530 3.910 1.00 0.00 C ATOM 62 O GLY A 7 1.386 -7.522 3.699 1.00 0.00 O ATOM 0 H GLY A 7 4.138 -8.511 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.531 -5.758 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.218 -6.690 3.969 1.00 0.00 H new ATOM 66 N ARG A 8 1.755 -5.312 3.493 1.00 0.00 N ATOM 67 CA ARG A 8 0.526 -5.066 2.750 1.00 0.00 C ATOM 68 C ARG A 8 0.793 -4.185 1.532 1.00 0.00 C ATOM 69 O ARG A 8 1.889 -3.650 1.370 1.00 0.00 O ATOM 70 CB ARG A 8 -0.517 -4.402 3.651 1.00 0.00 C ATOM 71 CG ARG A 8 -1.340 -5.392 4.460 1.00 0.00 C ATOM 72 CD ARG A 8 -2.572 -4.733 5.061 1.00 0.00 C ATOM 73 NE ARG A 8 -3.604 -5.708 5.402 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.718 -5.401 6.059 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.942 -4.152 6.441 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.609 -6.344 6.332 1.00 0.00 N ATOM 0 H ARG A 8 2.322 -4.480 3.657 1.00 0.00 H new ATOM 0 HA ARG A 8 0.142 -6.027 2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.013 -3.718 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.187 -3.802 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.645 -6.221 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.726 -5.812 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.287 -4.180 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.977 -4.009 4.354 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.462 -6.678 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.259 -3.424 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.797 -3.918 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.440 -7.306 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.464 -6.108 6.836 1.00 0.00 H new ATOM 90 N ARG A 9 -0.215 -4.043 0.679 1.00 0.00 N ATOM 91 CA ARG A 9 -0.088 -3.230 -0.526 1.00 0.00 C ATOM 92 C ARG A 9 -1.381 -2.472 -0.810 1.00 0.00 C ATOM 93 O ARG A 9 -2.474 -3.028 -0.704 1.00 0.00 O ATOM 94 CB ARG A 9 0.276 -4.108 -1.725 1.00 0.00 C ATOM 95 CG ARG A 9 1.620 -4.802 -1.585 1.00 0.00 C ATOM 96 CD ARG A 9 2.269 -5.037 -2.940 1.00 0.00 C ATOM 97 NE ARG A 9 1.675 -6.171 -3.643 1.00 0.00 N ATOM 98 CZ ARG A 9 1.889 -7.439 -3.307 1.00 0.00 C ATOM 99 NH1 ARG A 9 2.681 -7.732 -2.285 1.00 0.00 N ATOM 100 NH2 ARG A 9 1.313 -8.415 -3.994 1.00 0.00 N ATOM 0 H ARG A 9 -1.129 -4.480 0.799 1.00 0.00 H new ATOM 0 HA ARG A 9 0.709 -2.505 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.500 -4.861 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.286 -3.493 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.280 -4.197 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.487 -5.755 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.169 -4.139 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.336 -5.213 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 9 1.062 -5.979 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.127 -6.984 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.844 -8.706 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.704 -8.194 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.478 -9.388 -3.735 1.00 0.00 H new ATOM 114 N ALA A 10 -1.249 -1.200 -1.171 1.00 0.00 N ATOM 115 CA ALA A 10 -2.407 -0.367 -1.471 1.00 0.00 C ATOM 116 C ALA A 10 -2.350 0.155 -2.902 1.00 0.00 C ATOM 117 O ALA A 10 -1.273 0.427 -3.435 1.00 0.00 O ATOM 118 CB ALA A 10 -2.494 0.791 -0.488 1.00 0.00 C ATOM 0 H ALA A 10 -0.352 -0.724 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.302 -0.982 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.363 1.404 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.589 0.401 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.591 1.398 -0.560 1.00 0.00 H new ATOM 124 N LYS A 11 -3.518 0.295 -3.524 1.00 0.00 N ATOM 125 CA LYS A 11 -3.601 0.787 -4.894 1.00 0.00 C ATOM 126 C LYS A 11 -3.947 2.272 -4.919 1.00 0.00 C ATOM 127 O LYS A 11 -4.882 2.712 -4.249 1.00 0.00 O ATOM 128 CB LYS A 11 -4.650 -0.006 -5.676 1.00 0.00 C ATOM 129 CG LYS A 11 -4.745 0.393 -7.140 1.00 0.00 C ATOM 130 CD LYS A 11 -5.640 -0.556 -7.919 1.00 0.00 C ATOM 131 CE LYS A 11 -7.103 -0.380 -7.540 1.00 0.00 C ATOM 132 NZ LYS A 11 -7.934 -1.534 -7.982 1.00 0.00 N ATOM 0 H LYS A 11 -4.419 0.074 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.626 0.653 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.413 -1.068 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.624 0.133 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.135 1.408 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.749 0.400 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.516 -0.380 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.335 -1.585 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.187 -0.265 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.486 0.536 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.924 -1.375 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.875 -1.629 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.585 -2.405 -7.534 1.00 0.00 H new ATOM 146 N ALA A 12 -3.189 3.038 -5.696 1.00 0.00 N ATOM 147 CA ALA A 12 -3.417 4.472 -5.811 1.00 0.00 C ATOM 148 C ALA A 12 -4.626 4.767 -6.694 1.00 0.00 C ATOM 149 O ALA A 12 -4.649 4.409 -7.872 1.00 0.00 O ATOM 150 CB ALA A 12 -2.178 5.163 -6.362 1.00 0.00 C ATOM 0 H ALA A 12 -2.411 2.689 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.623 4.862 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.364 6.234 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.336 4.990 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.945 4.760 -7.348 1.00 0.00 H new ATOM 156 N LEU A 13 -5.628 5.422 -6.116 1.00 0.00 N ATOM 157 CA LEU A 13 -6.841 5.763 -6.852 1.00 0.00 C ATOM 158 C LEU A 13 -6.609 6.970 -7.754 1.00 0.00 C ATOM 159 O LEU A 13 -7.367 7.211 -8.695 1.00 0.00 O ATOM 160 CB LEU A 13 -7.985 6.053 -5.878 1.00 0.00 C ATOM 161 CG LEU A 13 -8.146 5.069 -4.719 1.00 0.00 C ATOM 162 CD1 LEU A 13 -8.977 5.687 -3.605 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.780 3.773 -5.204 1.00 0.00 C ATOM 0 H LEU A 13 -5.624 5.727 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.110 4.912 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.838 7.050 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.918 6.076 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.157 4.840 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.081 4.972 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.483 6.587 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.964 5.946 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.887 3.084 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.762 3.984 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.146 3.321 -5.966 1.00 0.00 H new ATOM 175 N LEU A 14 -5.556 7.726 -7.465 1.00 0.00 N ATOM 176 CA LEU A 14 -5.221 8.908 -8.251 1.00 0.00 C ATOM 177 C LEU A 14 -3.750 9.273 -8.085 1.00 0.00 C ATOM 178 O LEU A 14 -3.031 8.659 -7.298 1.00 0.00 O ATOM 179 CB LEU A 14 -6.102 10.087 -7.836 1.00 0.00 C ATOM 180 CG LEU A 14 -5.885 10.622 -6.420 1.00 0.00 C ATOM 181 CD1 LEU A 14 -6.236 12.099 -6.348 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.708 9.826 -5.418 1.00 0.00 C ATOM 0 H LEU A 14 -4.918 7.541 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.403 8.680 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.938 10.903 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.145 9.787 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.831 10.508 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.075 12.462 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.603 12.657 -7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.282 12.238 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.541 10.220 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.766 9.908 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.407 8.779 -5.451 1.00 0.00 H new ATOM 194 N ASP A 15 -3.308 10.281 -8.832 1.00 0.00 N ATOM 195 CA ASP A 15 -1.923 10.731 -8.765 1.00 0.00 C ATOM 196 C ASP A 15 -1.736 11.750 -7.644 1.00 0.00 C ATOM 197 O ASP A 15 -2.528 12.682 -7.500 1.00 0.00 O ATOM 198 CB ASP A 15 -1.498 11.342 -10.101 1.00 0.00 C ATOM 199 CG ASP A 15 -0.291 12.248 -9.967 1.00 0.00 C ATOM 200 OD1 ASP A 15 -0.467 13.414 -9.553 1.00 0.00 O ATOM 201 OD2 ASP A 15 0.830 11.792 -10.273 1.00 0.00 O ATOM 0 H ASP A 15 -3.889 10.801 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.296 9.865 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.272 10.543 -10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.330 11.910 -10.518 1.00 0.00 H new ATOM 206 N PHE A 16 -0.685 11.564 -6.852 1.00 0.00 N ATOM 207 CA PHE A 16 -0.396 12.463 -5.743 1.00 0.00 C ATOM 208 C PHE A 16 0.934 13.181 -5.956 1.00 0.00 C ATOM 209 O PHE A 16 1.947 12.551 -6.262 1.00 0.00 O ATOM 210 CB PHE A 16 -0.364 11.688 -4.424 1.00 0.00 C ATOM 211 CG PHE A 16 -0.033 12.544 -3.233 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.757 13.695 -2.968 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.003 12.195 -2.382 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.455 14.483 -1.873 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.309 12.980 -1.286 1.00 0.00 C ATOM 216 CZ PHE A 16 0.579 14.126 -1.032 1.00 0.00 C ATOM 0 H PHE A 16 -0.020 10.798 -6.959 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.189 13.210 -5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.334 11.217 -4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.370 10.886 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.566 13.980 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.577 11.301 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.028 15.377 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.118 12.698 -0.629 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.818 14.741 -0.177 1.00 0.00 H new ATOM 226 N GLU A 17 0.923 14.500 -5.795 1.00 0.00 N ATOM 227 CA GLU A 17 2.127 15.302 -5.972 1.00 0.00 C ATOM 228 C GLU A 17 2.754 15.645 -4.625 1.00 0.00 C ATOM 229 O GLU A 17 2.287 16.540 -3.920 1.00 0.00 O ATOM 230 CB GLU A 17 1.803 16.587 -6.739 1.00 0.00 C ATOM 231 CG GLU A 17 1.932 16.444 -8.246 1.00 0.00 C ATOM 232 CD GLU A 17 3.342 16.705 -8.738 1.00 0.00 C ATOM 233 OE1 GLU A 17 3.751 17.884 -8.770 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.036 15.728 -9.091 1.00 0.00 O ATOM 0 H GLU A 17 0.093 15.036 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 17 2.843 14.715 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.787 16.898 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.468 17.381 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.629 15.439 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.247 17.138 -8.733 1.00 0.00 H new ATOM 241 N ARG A 18 3.816 14.927 -4.272 1.00 0.00 N ATOM 242 CA ARG A 18 4.507 15.154 -3.009 1.00 0.00 C ATOM 243 C ARG A 18 5.261 16.479 -3.032 1.00 0.00 C ATOM 244 O ARG A 18 6.043 16.746 -3.946 1.00 0.00 O ATOM 245 CB ARG A 18 5.478 14.007 -2.721 1.00 0.00 C ATOM 246 CG ARG A 18 6.800 14.128 -3.463 1.00 0.00 C ATOM 247 CD ARG A 18 7.394 12.761 -3.764 1.00 0.00 C ATOM 248 NE ARG A 18 8.482 12.840 -4.735 1.00 0.00 N ATOM 249 CZ ARG A 18 8.291 12.957 -6.045 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.061 13.008 -6.537 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.331 13.022 -6.865 1.00 0.00 N ATOM 0 H ARG A 18 4.216 14.183 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 18 3.759 15.195 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.674 13.969 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.004 13.064 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.648 14.673 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.503 14.708 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.764 12.315 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.614 12.103 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 18 9.441 12.803 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.258 12.957 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.917 13.098 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.279 12.982 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.183 13.112 -7.870 1.00 0.00 H new ATOM 265 N HIS A 19 5.021 17.309 -2.021 1.00 0.00 N ATOM 266 CA HIS A 19 5.679 18.608 -1.925 1.00 0.00 C ATOM 267 C HIS A 19 6.999 18.495 -1.168 1.00 0.00 C ATOM 268 O HIS A 19 7.985 19.143 -1.518 1.00 0.00 O ATOM 269 CB HIS A 19 4.764 19.616 -1.231 1.00 0.00 C ATOM 270 CG HIS A 19 4.188 19.113 0.057 1.00 0.00 C ATOM 271 ND1 HIS A 19 4.685 19.131 1.316 1.00 0.00 N flip ATOM 272 CD2 HIS A 19 2.953 18.506 0.143 1.00 0.00 C flip ATOM 273 CE1 HIS A 19 3.752 18.541 2.131 1.00 0.00 C flip ATOM 274 NE2 HIS A 19 2.716 18.172 1.399 1.00 0.00 N flip ATOM 0 H HIS A 19 4.376 17.105 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 19 5.890 18.956 -2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.325 20.530 -1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.949 19.880 -1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.284 18.331 -0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.849 18.401 3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.876 17.708 1.745 1.00 0.00 H new ATOM 283 N ASP A 20 7.009 17.668 -0.128 1.00 0.00 N ATOM 284 CA ASP A 20 8.207 17.470 0.678 1.00 0.00 C ATOM 285 C ASP A 20 8.837 16.110 0.392 1.00 0.00 C ATOM 286 O ASP A 20 8.136 15.133 0.133 1.00 0.00 O ATOM 287 CB ASP A 20 7.871 17.587 2.166 1.00 0.00 C ATOM 288 CG ASP A 20 8.006 19.006 2.681 1.00 0.00 C ATOM 289 OD1 ASP A 20 8.997 19.677 2.322 1.00 0.00 O ATOM 290 OD2 ASP A 20 7.118 19.448 3.439 1.00 0.00 O ATOM 0 H ASP A 20 6.201 17.125 0.176 1.00 0.00 H new ATOM 0 HA ASP A 20 8.925 18.246 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.852 17.238 2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.530 16.932 2.737 1.00 0.00 H new ATOM 295 N ASP A 21 10.163 16.057 0.439 1.00 0.00 N ATOM 296 CA ASP A 21 10.888 14.817 0.184 1.00 0.00 C ATOM 297 C ASP A 21 10.257 13.653 0.943 1.00 0.00 C ATOM 298 O ASP A 21 10.068 12.570 0.391 1.00 0.00 O ATOM 299 CB ASP A 21 12.356 14.968 0.586 1.00 0.00 C ATOM 300 CG ASP A 21 13.067 13.632 0.694 1.00 0.00 C ATOM 301 OD1 ASP A 21 12.978 12.999 1.766 1.00 0.00 O ATOM 302 OD2 ASP A 21 13.714 13.222 -0.293 1.00 0.00 O ATOM 0 H ASP A 21 10.758 16.858 0.651 1.00 0.00 H new ATOM 0 HA ASP A 21 10.832 14.605 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.868 15.591 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.416 15.487 1.543 1.00 0.00 H new ATOM 307 N ASP A 22 9.937 13.885 2.211 1.00 0.00 N ATOM 308 CA ASP A 22 9.328 12.856 3.045 1.00 0.00 C ATOM 309 C ASP A 22 8.058 12.311 2.397 1.00 0.00 C ATOM 310 O ASP A 22 7.867 11.098 2.309 1.00 0.00 O ATOM 311 CB ASP A 22 9.006 13.418 4.431 1.00 0.00 C ATOM 312 CG ASP A 22 8.658 14.893 4.392 1.00 0.00 C ATOM 313 OD1 ASP A 22 9.590 15.719 4.288 1.00 0.00 O ATOM 314 OD2 ASP A 22 7.455 15.222 4.464 1.00 0.00 O ATOM 0 H ASP A 22 10.089 14.776 2.684 1.00 0.00 H new ATOM 0 HA ASP A 22 10.041 12.038 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.172 12.862 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.862 13.267 5.089 1.00 0.00 H new ATOM 319 N GLU A 23 7.195 13.215 1.946 1.00 0.00 N ATOM 320 CA GLU A 23 5.944 12.824 1.307 1.00 0.00 C ATOM 321 C GLU A 23 6.204 11.890 0.127 1.00 0.00 C ATOM 322 O GLU A 23 6.871 12.262 -0.839 1.00 0.00 O ATOM 323 CB GLU A 23 5.179 14.061 0.833 1.00 0.00 C ATOM 324 CG GLU A 23 4.372 14.734 1.931 1.00 0.00 C ATOM 325 CD GLU A 23 3.131 15.427 1.402 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.160 15.898 0.246 1.00 0.00 O ATOM 327 OE2 GLU A 23 2.130 15.497 2.145 1.00 0.00 O ATOM 0 H GLU A 23 7.339 14.223 2.011 1.00 0.00 H new ATOM 0 HA GLU A 23 5.341 12.293 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.887 14.780 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.508 13.775 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.080 13.989 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.000 15.463 2.444 1.00 0.00 H new ATOM 334 N LEU A 24 5.672 10.675 0.214 1.00 0.00 N ATOM 335 CA LEU A 24 5.847 9.687 -0.844 1.00 0.00 C ATOM 336 C LEU A 24 4.838 9.909 -1.967 1.00 0.00 C ATOM 337 O LEU A 24 3.640 9.692 -1.791 1.00 0.00 O ATOM 338 CB LEU A 24 5.696 8.274 -0.279 1.00 0.00 C ATOM 339 CG LEU A 24 5.884 7.129 -1.276 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.327 7.069 -1.753 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.471 5.805 -0.651 1.00 0.00 C ATOM 0 H LEU A 24 5.116 10.351 1.006 1.00 0.00 H new ATOM 0 HA LEU A 24 6.851 9.802 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.417 8.148 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.704 8.185 0.163 1.00 0.00 H new ATOM 0 HG LEU A 24 5.245 7.315 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.442 6.249 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.589 8.008 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.986 6.907 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.611 5.002 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.084 5.612 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.422 5.852 -0.360 1.00 0.00 H new ATOM 353 N GLY A 25 5.332 10.342 -3.124 1.00 0.00 N ATOM 354 CA GLY A 25 4.461 10.583 -4.259 1.00 0.00 C ATOM 355 C GLY A 25 4.236 9.337 -5.093 1.00 0.00 C ATOM 356 O GLY A 25 4.933 8.335 -4.925 1.00 0.00 O ATOM 0 H GLY A 25 6.320 10.530 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.501 10.956 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.894 11.363 -4.886 1.00 0.00 H new ATOM 360 N PHE A 26 3.263 9.398 -5.994 1.00 0.00 N ATOM 361 CA PHE A 26 2.946 8.265 -6.856 1.00 0.00 C ATOM 362 C PHE A 26 2.024 8.689 -7.996 1.00 0.00 C ATOM 363 O PHE A 26 1.685 9.864 -8.129 1.00 0.00 O ATOM 364 CB PHE A 26 2.290 7.147 -6.045 1.00 0.00 C ATOM 365 CG PHE A 26 1.361 7.647 -4.976 1.00 0.00 C ATOM 366 CD1 PHE A 26 1.834 7.931 -3.704 1.00 0.00 C ATOM 367 CD2 PHE A 26 0.014 7.834 -5.243 1.00 0.00 C ATOM 368 CE1 PHE A 26 0.980 8.390 -2.720 1.00 0.00 C ATOM 369 CE2 PHE A 26 -0.844 8.296 -4.262 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.360 8.575 -2.999 1.00 0.00 C ATOM 0 H PHE A 26 2.679 10.220 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 26 3.878 7.895 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.736 6.496 -6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.068 6.539 -5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.881 7.792 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.370 7.616 -6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.360 8.604 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.891 8.439 -4.483 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.028 8.937 -2.231 1.00 0.00 H new ATOM 380 N ARG A 27 1.623 7.723 -8.816 1.00 0.00 N ATOM 381 CA ARG A 27 0.741 7.996 -9.944 1.00 0.00 C ATOM 382 C ARG A 27 -0.534 7.164 -9.850 1.00 0.00 C ATOM 383 O ARG A 27 -0.606 6.199 -9.091 1.00 0.00 O ATOM 384 CB ARG A 27 1.461 7.699 -11.262 1.00 0.00 C ATOM 385 CG ARG A 27 2.685 8.570 -11.497 1.00 0.00 C ATOM 386 CD ARG A 27 2.315 9.881 -12.170 1.00 0.00 C ATOM 387 NE ARG A 27 2.171 9.732 -13.617 1.00 0.00 N ATOM 388 CZ ARG A 27 1.542 10.614 -14.386 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.002 11.700 -13.852 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.452 10.407 -15.695 1.00 0.00 N ATOM 0 H ARG A 27 1.895 6.745 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 27 0.468 9.051 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.763 6.652 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.763 7.838 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.176 8.774 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.402 8.032 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.381 10.254 -11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.081 10.627 -11.957 1.00 0.00 H new ATOM 0 HE ARG A 27 2.575 8.907 -14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.068 11.861 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.520 12.375 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.866 9.571 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.969 11.084 -16.286 1.00 0.00 H new ATOM 404 N LYS A 28 -1.542 7.547 -10.628 1.00 0.00 N ATOM 405 CA LYS A 28 -2.816 6.838 -10.634 1.00 0.00 C ATOM 406 C LYS A 28 -2.632 5.394 -11.088 1.00 0.00 C ATOM 407 O LYS A 28 -1.849 5.112 -11.993 1.00 0.00 O ATOM 408 CB LYS A 28 -3.813 7.549 -11.553 1.00 0.00 C ATOM 409 CG LYS A 28 -5.211 6.956 -11.508 1.00 0.00 C ATOM 410 CD LYS A 28 -6.121 7.593 -12.544 1.00 0.00 C ATOM 411 CE LYS A 28 -6.787 8.848 -12.003 1.00 0.00 C ATOM 412 NZ LYS A 28 -5.972 10.066 -12.267 1.00 0.00 N ATOM 0 H LYS A 28 -1.501 8.345 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.207 6.834 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.865 8.601 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.443 7.508 -12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.157 5.881 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.635 7.097 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.543 7.841 -13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.884 6.877 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.770 8.963 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.944 8.742 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.835 10.591 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.046 9.788 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.464 10.671 -12.955 1.00 0.00 H new ATOM 426 N ASN A 29 -3.360 4.482 -10.450 1.00 0.00 N ATOM 427 CA ASN A 29 -3.278 3.065 -10.789 1.00 0.00 C ATOM 428 C ASN A 29 -1.871 2.529 -10.548 1.00 0.00 C ATOM 429 O ASN A 29 -1.298 1.853 -11.402 1.00 0.00 O ATOM 430 CB ASN A 29 -3.677 2.845 -12.251 1.00 0.00 C ATOM 431 CG ASN A 29 -5.171 2.976 -12.469 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.578 4.034 -13.161 1.00 0.00 O flip ATOM 433 ND2 ASN A 29 -5.951 2.135 -12.021 1.00 0.00 N flip ATOM 0 H ASN A 29 -4.012 4.699 -9.696 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.970 2.522 -10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.156 3.568 -12.879 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.352 1.854 -12.568 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.594 1.337 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.954 2.236 -12.176 1.00 0.00 H new ATOM 440 N ASP A 30 -1.319 2.837 -9.379 1.00 0.00 N ATOM 441 CA ASP A 30 0.020 2.384 -9.023 1.00 0.00 C ATOM 442 C ASP A 30 0.000 1.602 -7.713 1.00 0.00 C ATOM 443 O ASP A 30 -0.768 1.917 -6.803 1.00 0.00 O ATOM 444 CB ASP A 30 0.969 3.577 -8.904 1.00 0.00 C ATOM 445 CG ASP A 30 1.298 4.192 -10.250 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.372 4.349 -11.073 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.481 4.518 -10.480 1.00 0.00 O ATOM 0 H ASP A 30 -1.779 3.399 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 30 0.375 1.723 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.518 4.334 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.891 3.257 -8.419 1.00 0.00 H new ATOM 452 N ILE A 31 0.845 0.581 -7.627 1.00 0.00 N ATOM 453 CA ILE A 31 0.925 -0.246 -6.430 1.00 0.00 C ATOM 454 C ILE A 31 2.051 0.219 -5.513 1.00 0.00 C ATOM 455 O ILE A 31 3.189 0.393 -5.951 1.00 0.00 O ATOM 456 CB ILE A 31 1.143 -1.730 -6.782 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.042 -2.221 -7.723 1.00 0.00 C ATOM 458 CG2 ILE A 31 1.185 -2.574 -5.518 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.301 -2.384 -7.045 1.00 0.00 C ATOM 0 H ILE A 31 1.484 0.306 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.028 -0.141 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 31 2.101 -1.830 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.060 -1.517 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.342 -3.177 -8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.340 -3.620 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.003 -2.236 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.242 -2.472 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.035 -2.735 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.215 -3.110 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.622 -1.425 -6.639 1.00 0.00 H new ATOM 471 N ILE A 32 1.727 0.417 -4.240 1.00 0.00 N ATOM 472 CA ILE A 32 2.713 0.858 -3.262 1.00 0.00 C ATOM 473 C ILE A 32 2.751 -0.078 -2.058 1.00 0.00 C ATOM 474 O ILE A 32 1.712 -0.437 -1.503 1.00 0.00 O ATOM 475 CB ILE A 32 2.421 2.290 -2.775 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.412 3.263 -3.957 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.449 2.718 -1.738 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.537 4.475 -3.734 1.00 0.00 C ATOM 0 H ILE A 32 0.790 0.279 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 32 3.682 0.843 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 32 1.436 2.305 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.432 3.593 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.070 2.737 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.229 3.732 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.411 2.039 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.445 2.690 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.579 5.120 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.508 4.155 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.892 5.025 -2.862 1.00 0.00 H new ATOM 490 N THR A 33 3.957 -0.468 -1.657 1.00 0.00 N ATOM 491 CA THR A 33 4.131 -1.362 -0.518 1.00 0.00 C ATOM 492 C THR A 33 4.018 -0.603 0.799 1.00 0.00 C ATOM 493 O THR A 33 4.536 0.506 0.933 1.00 0.00 O ATOM 494 CB THR A 33 5.494 -2.079 -0.570 1.00 0.00 C ATOM 495 OG1 THR A 33 5.566 -2.909 -1.734 1.00 0.00 O ATOM 496 CG2 THR A 33 5.708 -2.924 0.676 1.00 0.00 C ATOM 0 H THR A 33 4.827 -0.179 -2.104 1.00 0.00 H new ATOM 0 HA THR A 33 3.336 -2.105 -0.575 1.00 0.00 H new ATOM 0 HB THR A 33 6.277 -1.322 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.436 -3.360 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.677 -3.421 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.681 -2.285 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.920 -3.673 0.747 1.00 0.00 H new ATOM 504 N ILE A 34 3.339 -1.207 1.768 1.00 0.00 N ATOM 505 CA ILE A 34 3.161 -0.588 3.076 1.00 0.00 C ATOM 506 C ILE A 34 4.175 -1.125 4.081 1.00 0.00 C ATOM 507 O ILE A 34 4.128 -2.295 4.459 1.00 0.00 O ATOM 508 CB ILE A 34 1.741 -0.822 3.620 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.698 -0.264 2.648 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.588 -0.184 4.993 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.727 -0.471 3.106 1.00 0.00 C ATOM 0 H ILE A 34 2.903 -2.124 1.672 1.00 0.00 H new ATOM 0 HA ILE A 34 3.318 0.482 2.943 1.00 0.00 H new ATOM 0 HB ILE A 34 1.579 -1.895 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.875 0.803 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.831 -0.737 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.578 -0.358 5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.309 -0.625 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.767 0.889 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.411 -0.051 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.923 -1.538 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.877 0.026 4.064 1.00 0.00 H new ATOM 523 N ILE A 35 5.087 -0.261 4.511 1.00 0.00 N ATOM 524 CA ILE A 35 6.111 -0.648 5.475 1.00 0.00 C ATOM 525 C ILE A 35 5.599 -0.509 6.904 1.00 0.00 C ATOM 526 O ILE A 35 5.470 -1.497 7.627 1.00 0.00 O ATOM 527 CB ILE A 35 7.386 0.199 5.313 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.876 0.153 3.865 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.471 -0.290 6.261 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.352 -1.216 3.430 1.00 0.00 C ATOM 0 H ILE A 35 5.139 0.712 4.208 1.00 0.00 H new ATOM 0 HA ILE A 35 6.352 -1.692 5.278 1.00 0.00 H new ATOM 0 HB ILE A 35 7.151 1.233 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.069 0.474 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.690 0.867 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.366 0.319 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.119 -0.209 7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.706 -1.331 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.685 -1.173 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.181 -1.532 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.534 -1.931 3.519 1.00 0.00 H new ATOM 542 N SER A 36 5.307 0.724 7.306 1.00 0.00 N ATOM 543 CA SER A 36 4.811 0.994 8.650 1.00 0.00 C ATOM 544 C SER A 36 3.572 1.884 8.604 1.00 0.00 C ATOM 545 O SER A 36 3.279 2.501 7.581 1.00 0.00 O ATOM 546 CB SER A 36 5.900 1.659 9.494 1.00 0.00 C ATOM 547 OG SER A 36 5.752 1.331 10.865 1.00 0.00 O ATOM 0 H SER A 36 5.406 1.552 6.719 1.00 0.00 H new ATOM 0 HA SER A 36 4.537 0.043 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.882 1.340 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.853 2.741 9.368 1.00 0.00 H new ATOM 0 HG SER A 36 6.460 1.766 11.384 1.00 0.00 H new ATOM 553 N GLN A 37 2.852 1.942 9.719 1.00 0.00 N ATOM 554 CA GLN A 37 1.645 2.756 9.806 1.00 0.00 C ATOM 555 C GLN A 37 1.634 3.578 11.090 1.00 0.00 C ATOM 556 O GLN A 37 1.351 3.061 12.171 1.00 0.00 O ATOM 557 CB GLN A 37 0.401 1.868 9.745 1.00 0.00 C ATOM 558 CG GLN A 37 0.318 1.022 8.484 1.00 0.00 C ATOM 559 CD GLN A 37 -0.773 -0.029 8.557 1.00 0.00 C ATOM 560 OE1 GLN A 37 -0.713 -0.944 9.379 1.00 0.00 O ATOM 561 NE2 GLN A 37 -1.775 0.096 7.695 1.00 0.00 N ATOM 0 H GLN A 37 3.083 1.436 10.574 1.00 0.00 H new ATOM 0 HA GLN A 37 1.637 3.441 8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.391 1.211 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.487 2.496 9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.136 1.671 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.277 0.533 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.783 0.871 7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.537 -0.582 7.696 1.00 0.00 H new ATOM 570 N LYS A 38 1.946 4.864 10.966 1.00 0.00 N ATOM 571 CA LYS A 38 1.971 5.760 12.115 1.00 0.00 C ATOM 572 C LYS A 38 0.556 6.100 12.572 1.00 0.00 C ATOM 573 O LYS A 38 0.187 5.849 13.719 1.00 0.00 O ATOM 574 CB LYS A 38 2.730 7.045 11.770 1.00 0.00 C ATOM 575 CG LYS A 38 4.218 6.969 12.062 1.00 0.00 C ATOM 576 CD LYS A 38 4.918 5.985 11.140 1.00 0.00 C ATOM 577 CE LYS A 38 4.938 4.584 11.733 1.00 0.00 C ATOM 578 NZ LYS A 38 5.603 4.555 13.066 1.00 0.00 N ATOM 0 H LYS A 38 2.185 5.309 10.080 1.00 0.00 H new ATOM 0 HA LYS A 38 2.484 5.250 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.587 7.269 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.300 7.873 12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.663 7.957 11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.371 6.670 13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.412 5.966 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.939 6.319 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.917 4.216 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.458 3.909 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.063 3.633 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.317 5.309 13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.893 4.703 13.811 1.00 0.00 H new ATOM 592 N ASP A 39 -0.231 6.670 11.667 1.00 0.00 N ATOM 593 CA ASP A 39 -1.607 7.043 11.976 1.00 0.00 C ATOM 594 C ASP A 39 -2.589 6.269 11.101 1.00 0.00 C ATOM 595 O ASP A 39 -2.195 5.629 10.128 1.00 0.00 O ATOM 596 CB ASP A 39 -1.807 8.546 11.784 1.00 0.00 C ATOM 597 CG ASP A 39 -2.958 9.087 12.609 1.00 0.00 C ATOM 598 OD1 ASP A 39 -2.906 8.969 13.851 1.00 0.00 O ATOM 599 OD2 ASP A 39 -3.913 9.629 12.013 1.00 0.00 O ATOM 0 H ASP A 39 0.060 6.884 10.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.800 6.791 13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.891 9.069 12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.990 8.753 10.730 1.00 0.00 H new ATOM 604 N GLU A 40 -3.869 6.335 11.456 1.00 0.00 N ATOM 605 CA GLU A 40 -4.905 5.640 10.703 1.00 0.00 C ATOM 606 C GLU A 40 -4.977 6.157 9.269 1.00 0.00 C ATOM 607 O GLU A 40 -5.306 5.414 8.344 1.00 0.00 O ATOM 608 CB GLU A 40 -6.264 5.811 11.385 1.00 0.00 C ATOM 609 CG GLU A 40 -7.271 4.734 11.018 1.00 0.00 C ATOM 610 CD GLU A 40 -8.450 4.689 11.968 1.00 0.00 C ATOM 611 OE1 GLU A 40 -9.302 5.599 11.899 1.00 0.00 O ATOM 612 OE2 GLU A 40 -8.524 3.744 12.781 1.00 0.00 O ATOM 0 H GLU A 40 -4.212 6.862 12.259 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.649 4.581 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.121 5.809 12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.674 6.785 11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.632 4.910 10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.774 3.764 11.015 1.00 0.00 H new ATOM 619 N HIS A 41 -4.664 7.438 9.092 1.00 0.00 N ATOM 620 CA HIS A 41 -4.693 8.054 7.771 1.00 0.00 C ATOM 621 C HIS A 41 -3.290 8.129 7.175 1.00 0.00 C ATOM 622 O HIS A 41 -3.073 7.750 6.024 1.00 0.00 O ATOM 623 CB HIS A 41 -5.299 9.456 7.853 1.00 0.00 C ATOM 624 CG HIS A 41 -6.633 9.493 8.531 1.00 0.00 C ATOM 625 ND1 HIS A 41 -7.816 9.202 7.883 1.00 0.00 N ATOM 626 CD2 HIS A 41 -6.968 9.788 9.809 1.00 0.00 C ATOM 627 CE1 HIS A 41 -8.821 9.317 8.732 1.00 0.00 C ATOM 628 NE2 HIS A 41 -8.334 9.671 9.907 1.00 0.00 N ATOM 0 H HIS A 41 -4.388 8.067 9.846 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.312 7.435 7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.610 10.110 8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.402 9.858 6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.289 10.064 10.603 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.863 9.150 8.504 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.883 9.832 10.751 1.00 0.00 H new ATOM 637 N CYS A 42 -2.342 8.619 7.966 1.00 0.00 N ATOM 638 CA CYS A 42 -0.960 8.743 7.518 1.00 0.00 C ATOM 639 C CYS A 42 -0.237 7.404 7.605 1.00 0.00 C ATOM 640 O CYS A 42 0.025 6.899 8.697 1.00 0.00 O ATOM 641 CB CYS A 42 -0.222 9.791 8.353 1.00 0.00 C ATOM 642 SG CYS A 42 -0.916 11.455 8.231 1.00 0.00 S ATOM 0 H CYS A 42 -2.505 8.937 8.921 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.970 9.062 6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.232 9.480 9.398 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.822 9.820 8.040 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.145 12.194 7.490 1.00 0.00 H new ATOM 648 N TRP A 43 0.081 6.833 6.449 1.00 0.00 N ATOM 649 CA TRP A 43 0.773 5.550 6.395 1.00 0.00 C ATOM 650 C TRP A 43 2.137 5.694 5.730 1.00 0.00 C ATOM 651 O TRP A 43 2.411 6.691 5.063 1.00 0.00 O ATOM 652 CB TRP A 43 -0.072 4.523 5.638 1.00 0.00 C ATOM 653 CG TRP A 43 -1.374 4.211 6.312 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.709 4.480 7.608 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.511 3.571 5.724 1.00 0.00 C ATOM 656 NE1 TRP A 43 -2.989 4.044 7.861 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.501 3.483 6.722 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.790 3.063 4.453 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.748 2.909 6.486 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.026 2.493 4.219 1.00 0.00 C ATOM 661 CH2 TRP A 43 -4.993 2.419 5.231 1.00 0.00 C ATOM 0 H TRP A 43 -0.129 7.238 5.537 1.00 0.00 H new ATOM 0 HA TRP A 43 0.924 5.204 7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.272 4.897 4.634 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.501 3.602 5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.065 4.963 8.328 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.477 4.126 8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.052 3.115 3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.494 2.852 7.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.251 2.098 3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.950 1.967 5.017 1.00 0.00 H new ATOM 672 N VAL A 44 2.989 4.692 5.915 1.00 0.00 N ATOM 673 CA VAL A 44 4.326 4.708 5.331 1.00 0.00 C ATOM 674 C VAL A 44 4.531 3.520 4.395 1.00 0.00 C ATOM 675 O VAL A 44 4.424 2.366 4.807 1.00 0.00 O ATOM 676 CB VAL A 44 5.415 4.680 6.420 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.797 4.610 5.791 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.292 5.898 7.325 1.00 0.00 C ATOM 0 H VAL A 44 2.778 3.859 6.464 1.00 0.00 H new ATOM 0 HA VAL A 44 4.412 5.635 4.764 1.00 0.00 H new ATOM 0 HB VAL A 44 5.275 3.787 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.553 4.591 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.877 3.705 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.953 5.483 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.069 5.863 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.407 6.805 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.312 5.899 7.803 1.00 0.00 H new ATOM 688 N GLY A 45 4.825 3.814 3.133 1.00 0.00 N ATOM 689 CA GLY A 45 5.040 2.762 2.157 1.00 0.00 C ATOM 690 C GLY A 45 6.389 2.870 1.476 1.00 0.00 C ATOM 691 O GLY A 45 7.226 3.682 1.868 1.00 0.00 O ATOM 0 H GLY A 45 4.918 4.762 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.962 1.793 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.252 2.802 1.405 1.00 0.00 H new ATOM 695 N GLU A 46 6.602 2.048 0.454 1.00 0.00 N ATOM 696 CA GLU A 46 7.862 2.053 -0.282 1.00 0.00 C ATOM 697 C GLU A 46 7.613 1.989 -1.786 1.00 0.00 C ATOM 698 O GLU A 46 6.964 1.068 -2.281 1.00 0.00 O ATOM 699 CB GLU A 46 8.737 0.876 0.152 1.00 0.00 C ATOM 700 CG GLU A 46 10.223 1.114 -0.052 1.00 0.00 C ATOM 701 CD GLU A 46 11.082 0.269 0.871 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.607 -0.799 1.312 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.229 0.675 1.150 1.00 0.00 O ATOM 0 H GLU A 46 5.919 1.370 0.116 1.00 0.00 H new ATOM 0 HA GLU A 46 8.381 2.984 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.553 0.666 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.440 -0.012 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.484 0.894 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.445 2.168 0.115 1.00 0.00 H new ATOM 710 N LEU A 47 8.135 2.976 -2.508 1.00 0.00 N ATOM 711 CA LEU A 47 7.972 3.034 -3.957 1.00 0.00 C ATOM 712 C LEU A 47 9.131 3.783 -4.605 1.00 0.00 C ATOM 713 O LEU A 47 9.744 4.654 -3.988 1.00 0.00 O ATOM 714 CB LEU A 47 6.648 3.710 -4.312 1.00 0.00 C ATOM 715 CG LEU A 47 6.190 3.568 -5.764 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.440 2.260 -5.962 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.321 4.750 -6.168 1.00 0.00 C ATOM 0 H LEU A 47 8.674 3.747 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 47 7.966 2.014 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.871 3.303 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.732 4.772 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 47 7.073 3.557 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.122 2.177 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.095 1.424 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.565 2.240 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.005 4.632 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.443 4.793 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.892 5.673 -6.066 1.00 0.00 H new ATOM 729 N ASN A 48 9.423 3.441 -5.856 1.00 0.00 N ATOM 730 CA ASN A 48 10.507 4.082 -6.590 1.00 0.00 C ATOM 731 C ASN A 48 11.781 4.126 -5.753 1.00 0.00 C ATOM 732 O ASN A 48 12.591 5.043 -5.880 1.00 0.00 O ATOM 733 CB ASN A 48 10.105 5.501 -6.998 1.00 0.00 C ATOM 734 CG ASN A 48 9.100 5.512 -8.134 1.00 0.00 C ATOM 735 OD1 ASN A 48 7.834 5.736 -7.801 1.00 0.00 O flip ATOM 736 ND2 ASN A 48 9.458 5.323 -9.297 1.00 0.00 N flip ATOM 0 H ASN A 48 8.924 2.724 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 48 10.702 3.493 -7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.682 6.018 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.994 6.056 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.442 5.155 -9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.771 5.335 -10.051 1.00 0.00 H new ATOM 743 N GLY A 49 11.953 3.125 -4.894 1.00 0.00 N ATOM 744 CA GLY A 49 13.131 3.066 -4.048 1.00 0.00 C ATOM 745 C GLY A 49 13.143 4.156 -2.995 1.00 0.00 C ATOM 746 O GLY A 49 14.207 4.607 -2.570 1.00 0.00 O ATOM 0 H GLY A 49 11.297 2.354 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.175 2.093 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.024 3.153 -4.667 1.00 0.00 H new ATOM 750 N LEU A 50 11.958 4.585 -2.575 1.00 0.00 N ATOM 751 CA LEU A 50 11.836 5.631 -1.566 1.00 0.00 C ATOM 752 C LEU A 50 10.946 5.176 -0.415 1.00 0.00 C ATOM 753 O LEU A 50 10.141 4.257 -0.564 1.00 0.00 O ATOM 754 CB LEU A 50 11.268 6.906 -2.192 1.00 0.00 C ATOM 755 CG LEU A 50 11.934 7.374 -3.486 1.00 0.00 C ATOM 756 CD1 LEU A 50 11.170 8.541 -4.090 1.00 0.00 C ATOM 757 CD2 LEU A 50 13.384 7.758 -3.230 1.00 0.00 C ATOM 0 H LEU A 50 11.068 4.224 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 50 12.830 5.839 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.208 6.748 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.340 7.710 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 50 11.917 6.550 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.660 8.859 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.148 8.232 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.153 9.370 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.843 8.089 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.423 8.566 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.927 6.895 -2.845 1.00 0.00 H new ATOM 769 N ARG A 51 11.095 5.827 0.735 1.00 0.00 N ATOM 770 CA ARG A 51 10.305 5.491 1.912 1.00 0.00 C ATOM 771 C ARG A 51 9.841 6.751 2.636 1.00 0.00 C ATOM 772 O ARG A 51 10.657 7.545 3.104 1.00 0.00 O ATOM 773 CB ARG A 51 11.118 4.612 2.866 1.00 0.00 C ATOM 774 CG ARG A 51 10.968 3.124 2.600 1.00 0.00 C ATOM 775 CD ARG A 51 11.552 2.294 3.733 1.00 0.00 C ATOM 776 NE ARG A 51 12.962 1.986 3.516 1.00 0.00 N ATOM 777 CZ ARG A 51 13.768 1.519 4.463 1.00 0.00 C ATOM 778 NH1 ARG A 51 13.303 1.306 5.686 1.00 0.00 N ATOM 779 NH2 ARG A 51 15.040 1.263 4.188 1.00 0.00 N ATOM 0 H ARG A 51 11.756 6.591 0.875 1.00 0.00 H new ATOM 0 HA ARG A 51 9.425 4.939 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.171 4.882 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.811 4.822 3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.913 2.880 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.467 2.868 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.440 2.834 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.989 1.366 3.830 1.00 0.00 H new ATOM 0 HE ARG A 51 13.350 2.138 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.325 1.501 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.923 0.947 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.401 1.425 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.657 0.904 4.917 1.00 0.00 H new ATOM 793 N GLY A 52 8.527 6.929 2.722 1.00 0.00 N ATOM 794 CA GLY A 52 7.978 8.097 3.388 1.00 0.00 C ATOM 795 C GLY A 52 6.522 7.916 3.767 1.00 0.00 C ATOM 796 O GLY A 52 6.002 6.799 3.747 1.00 0.00 O ATOM 0 H GLY A 52 7.832 6.286 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.560 8.307 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.075 8.964 2.734 1.00 0.00 H new ATOM 800 N TRP A 53 5.863 9.014 4.116 1.00 0.00 N ATOM 801 CA TRP A 53 4.456 8.972 4.504 1.00 0.00 C ATOM 802 C TRP A 53 3.564 9.466 3.371 1.00 0.00 C ATOM 803 O TRP A 53 4.036 10.100 2.426 1.00 0.00 O ATOM 804 CB TRP A 53 4.227 9.818 5.756 1.00 0.00 C ATOM 805 CG TRP A 53 4.236 11.293 5.487 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.307 12.049 5.105 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.123 12.189 5.580 1.00 0.00 C ATOM 808 NE1 TRP A 53 4.928 13.361 4.958 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.592 13.473 5.241 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.775 12.030 5.915 1.00 0.00 C ATOM 811 CZ2 TRP A 53 2.761 14.589 5.228 1.00 0.00 C ATOM 812 CZ3 TRP A 53 0.951 13.140 5.903 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.447 14.406 5.562 1.00 0.00 C ATOM 0 H TRP A 53 6.279 9.945 4.139 1.00 0.00 H new ATOM 0 HA TRP A 53 4.195 7.936 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.271 9.543 6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.999 9.585 6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.305 11.671 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.542 14.128 4.683 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.385 11.058 6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.140 15.565 4.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.092 13.030 6.161 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.778 15.254 5.563 1.00 0.00 H new ATOM 824 N PHE A 54 2.273 9.170 3.469 1.00 0.00 N ATOM 825 CA PHE A 54 1.315 9.584 2.452 1.00 0.00 C ATOM 826 C PHE A 54 -0.118 9.400 2.946 1.00 0.00 C ATOM 827 O PHE A 54 -0.414 8.523 3.758 1.00 0.00 O ATOM 828 CB PHE A 54 1.529 8.785 1.164 1.00 0.00 C ATOM 829 CG PHE A 54 1.296 7.310 1.329 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.013 6.787 1.280 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.359 6.446 1.534 1.00 0.00 C ATOM 832 CE1 PHE A 54 -0.205 5.431 1.431 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.148 5.089 1.687 1.00 0.00 C ATOM 834 CZ PHE A 54 0.864 4.580 1.634 1.00 0.00 C ATOM 0 H PHE A 54 1.866 8.645 4.243 1.00 0.00 H new ATOM 0 HA PHE A 54 1.476 10.642 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.859 9.167 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.547 8.947 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.827 7.448 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.365 6.838 1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.210 5.037 1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.986 4.427 1.848 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.697 3.519 1.751 1.00 0.00 H new ATOM 844 N PRO A 55 -1.030 10.247 2.445 1.00 0.00 N ATOM 845 CA PRO A 55 -2.446 10.198 2.821 1.00 0.00 C ATOM 846 C PRO A 55 -3.148 8.962 2.272 1.00 0.00 C ATOM 847 O PRO A 55 -3.390 8.856 1.070 1.00 0.00 O ATOM 848 CB PRO A 55 -3.023 11.467 2.190 1.00 0.00 C ATOM 849 CG PRO A 55 -2.118 11.768 1.046 1.00 0.00 C ATOM 850 CD PRO A 55 -0.749 11.317 1.474 1.00 0.00 C ATOM 0 HA PRO A 55 -2.581 10.144 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.048 11.311 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.044 12.290 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.438 11.243 0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.123 12.833 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.165 10.950 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.181 12.130 1.926 1.00 0.00 H new ATOM 858 N ALA A 56 -3.476 8.029 3.160 1.00 0.00 N ATOM 859 CA ALA A 56 -4.155 6.803 2.764 1.00 0.00 C ATOM 860 C ALA A 56 -5.449 7.106 2.019 1.00 0.00 C ATOM 861 O ALA A 56 -5.893 6.323 1.178 1.00 0.00 O ATOM 862 CB ALA A 56 -4.437 5.939 3.985 1.00 0.00 C ATOM 0 H ALA A 56 -3.282 8.100 4.159 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.498 6.256 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.945 5.026 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.497 5.683 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.071 6.488 4.681 1.00 0.00 H new ATOM 868 N LYS A 57 -6.052 8.248 2.331 1.00 0.00 N ATOM 869 CA LYS A 57 -7.296 8.657 1.690 1.00 0.00 C ATOM 870 C LYS A 57 -7.131 8.727 0.175 1.00 0.00 C ATOM 871 O LYS A 57 -8.103 8.612 -0.572 1.00 0.00 O ATOM 872 CB LYS A 57 -7.748 10.017 2.227 1.00 0.00 C ATOM 873 CG LYS A 57 -6.733 11.126 2.007 1.00 0.00 C ATOM 874 CD LYS A 57 -7.295 12.482 2.400 1.00 0.00 C ATOM 875 CE LYS A 57 -6.502 13.618 1.771 1.00 0.00 C ATOM 876 NZ LYS A 57 -6.902 14.943 2.320 1.00 0.00 N ATOM 0 H LYS A 57 -5.699 8.907 3.025 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.056 7.911 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.686 10.294 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.950 9.928 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.836 10.920 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.435 11.145 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.338 12.549 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.279 12.583 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.438 13.459 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.652 13.612 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.339 15.691 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.912 15.107 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.735 14.958 3.346 1.00 0.00 H new ATOM 890 N PHE A 58 -5.894 8.913 -0.273 1.00 0.00 N ATOM 891 CA PHE A 58 -5.601 8.998 -1.699 1.00 0.00 C ATOM 892 C PHE A 58 -5.587 7.611 -2.334 1.00 0.00 C ATOM 893 O PHE A 58 -5.947 7.445 -3.499 1.00 0.00 O ATOM 894 CB PHE A 58 -4.253 9.688 -1.925 1.00 0.00 C ATOM 895 CG PHE A 58 -4.361 11.179 -2.070 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.619 11.980 -0.970 1.00 0.00 C ATOM 897 CD2 PHE A 58 -4.204 11.780 -3.309 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.720 13.352 -1.102 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.302 13.151 -3.448 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.560 13.938 -2.343 1.00 0.00 C ATOM 0 H PHE A 58 -5.078 9.008 0.331 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.387 9.588 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.592 9.459 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.789 9.276 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.743 11.527 0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.003 11.169 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.924 13.965 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.177 13.607 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.637 15.010 -2.449 1.00 0.00 H new ATOM 910 N VAL A 59 -5.168 6.615 -1.558 1.00 0.00 N ATOM 911 CA VAL A 59 -5.107 5.243 -2.043 1.00 0.00 C ATOM 912 C VAL A 59 -6.176 4.378 -1.385 1.00 0.00 C ATOM 913 O VAL A 59 -6.845 4.810 -0.448 1.00 0.00 O ATOM 914 CB VAL A 59 -3.724 4.616 -1.783 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.617 5.573 -2.197 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.584 4.225 -0.319 1.00 0.00 C ATOM 0 H VAL A 59 -4.866 6.734 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.285 5.280 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.634 3.713 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.648 5.113 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.709 5.798 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.700 6.496 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.601 3.784 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.695 5.111 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.356 3.500 -0.061 1.00 0.00 H new ATOM 926 N GLU A 60 -6.330 3.155 -1.882 1.00 0.00 N ATOM 927 CA GLU A 60 -7.320 2.230 -1.339 1.00 0.00 C ATOM 928 C GLU A 60 -6.667 0.910 -0.939 1.00 0.00 C ATOM 929 O GLU A 60 -5.868 0.346 -1.689 1.00 0.00 O ATOM 930 CB GLU A 60 -8.426 1.975 -2.364 1.00 0.00 C ATOM 931 CG GLU A 60 -9.465 0.968 -1.900 1.00 0.00 C ATOM 932 CD GLU A 60 -10.736 1.020 -2.724 1.00 0.00 C ATOM 933 OE1 GLU A 60 -11.550 1.941 -2.503 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.918 0.139 -3.591 1.00 0.00 O ATOM 0 H GLU A 60 -5.784 2.781 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.757 2.684 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.923 2.918 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.976 1.619 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.042 -0.035 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.707 1.157 -0.854 1.00 0.00 H new ATOM 941 N VAL A 61 -7.014 0.420 0.246 1.00 0.00 N ATOM 942 CA VAL A 61 -6.466 -0.834 0.747 1.00 0.00 C ATOM 943 C VAL A 61 -6.969 -2.019 -0.069 1.00 0.00 C ATOM 944 O VAL A 61 -8.069 -1.983 -0.621 1.00 0.00 O ATOM 945 CB VAL A 61 -6.826 -1.053 2.228 1.00 0.00 C ATOM 946 CG1 VAL A 61 -6.185 -2.330 2.750 1.00 0.00 C ATOM 947 CG2 VAL A 61 -6.402 0.146 3.062 1.00 0.00 C ATOM 0 H VAL A 61 -7.674 0.873 0.878 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.382 -0.766 0.652 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.908 -1.159 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.450 -2.468 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.543 -3.180 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.101 -2.258 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.664 -0.026 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.324 0.286 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.913 1.039 2.702 1.00 0.00 H new ATOM 957 N LEU A 62 -6.158 -3.069 -0.141 1.00 0.00 N ATOM 958 CA LEU A 62 -6.522 -4.268 -0.888 1.00 0.00 C ATOM 959 C LEU A 62 -6.362 -5.517 -0.027 1.00 0.00 C ATOM 960 O LEU A 62 -5.274 -5.803 0.472 1.00 0.00 O ATOM 961 CB LEU A 62 -5.661 -4.388 -2.146 1.00 0.00 C ATOM 962 CG LEU A 62 -5.179 -3.072 -2.758 1.00 0.00 C ATOM 963 CD1 LEU A 62 -3.883 -3.283 -3.525 1.00 0.00 C ATOM 964 CD2 LEU A 62 -6.247 -2.481 -3.666 1.00 0.00 C ATOM 0 H LEU A 62 -5.244 -3.114 0.309 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.569 -4.182 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.788 -4.996 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.230 -4.930 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.989 -2.367 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.555 -2.336 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.116 -3.659 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.047 -4.005 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.885 -1.545 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.471 -3.183 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.151 -2.291 -3.088 1.00 0.00 H new ATOM 976 N ASP A 63 -7.452 -6.256 0.141 1.00 0.00 N ATOM 977 CA ASP A 63 -7.433 -7.478 0.939 1.00 0.00 C ATOM 978 C ASP A 63 -7.139 -8.692 0.064 1.00 0.00 C ATOM 979 O ASP A 63 -7.660 -9.781 0.305 1.00 0.00 O ATOM 980 CB ASP A 63 -8.769 -7.663 1.660 1.00 0.00 C ATOM 981 CG ASP A 63 -9.002 -6.612 2.727 1.00 0.00 C ATOM 982 OD1 ASP A 63 -9.138 -5.423 2.369 1.00 0.00 O ATOM 983 OD2 ASP A 63 -9.047 -6.979 3.920 1.00 0.00 O ATOM 0 H ASP A 63 -8.361 -6.031 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.640 -7.387 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.580 -7.624 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.798 -8.652 2.116 1.00 0.00 H new ATOM 988 N GLU A 64 -6.301 -8.498 -0.949 1.00 0.00 N ATOM 989 CA GLU A 64 -5.939 -9.578 -1.858 1.00 0.00 C ATOM 990 C GLU A 64 -7.133 -10.492 -2.118 1.00 0.00 C ATOM 991 O GLU A 64 -6.994 -11.715 -2.169 1.00 0.00 O ATOM 992 CB GLU A 64 -4.776 -10.391 -1.284 1.00 0.00 C ATOM 993 CG GLU A 64 -3.415 -9.764 -1.534 1.00 0.00 C ATOM 994 CD GLU A 64 -2.789 -10.226 -2.834 1.00 0.00 C ATOM 995 OE1 GLU A 64 -2.081 -11.255 -2.819 1.00 0.00 O ATOM 996 OE2 GLU A 64 -3.007 -9.559 -3.868 1.00 0.00 O ATOM 0 H GLU A 64 -5.860 -7.603 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.629 -9.134 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.921 -10.509 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.792 -11.390 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.517 -8.679 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.749 -10.010 -0.707 1.00 0.00 H new ATOM 1003 N ARG A 65 -8.306 -9.891 -2.283 1.00 0.00 N ATOM 1004 CA ARG A 65 -9.526 -10.651 -2.536 1.00 0.00 C ATOM 1005 C ARG A 65 -9.933 -10.552 -4.003 1.00 0.00 C ATOM 1006 O ARG A 65 -10.384 -9.503 -4.463 1.00 0.00 O ATOM 1007 CB ARG A 65 -10.661 -10.143 -1.646 1.00 0.00 C ATOM 1008 CG ARG A 65 -12.025 -10.699 -2.022 1.00 0.00 C ATOM 1009 CD ARG A 65 -12.960 -10.740 -0.823 1.00 0.00 C ATOM 1010 NE ARG A 65 -12.739 -11.923 0.004 1.00 0.00 N ATOM 1011 CZ ARG A 65 -13.185 -13.134 -0.312 1.00 0.00 C ATOM 1012 NH1 ARG A 65 -13.873 -13.320 -1.430 1.00 0.00 N ATOM 1013 NH2 ARG A 65 -12.943 -14.162 0.493 1.00 0.00 N ATOM 0 H ARG A 65 -8.439 -8.880 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.329 -11.697 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.444 -10.405 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.694 -9.055 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.466 -10.085 -2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.910 -11.703 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.815 -9.844 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.994 -10.728 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.214 -11.814 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.061 -12.532 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.214 -14.251 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.415 -14.022 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.286 -15.092 0.250 1.00 0.00 H new ATOM 1027 N SER A 66 -9.769 -11.652 -4.732 1.00 0.00 N ATOM 1028 CA SER A 66 -10.115 -11.688 -6.148 1.00 0.00 C ATOM 1029 C SER A 66 -10.332 -13.122 -6.616 1.00 0.00 C ATOM 1030 O SER A 66 -9.997 -14.077 -5.914 1.00 0.00 O ATOM 1031 CB SER A 66 -9.014 -11.029 -6.981 1.00 0.00 C ATOM 1032 OG SER A 66 -9.540 -10.473 -8.173 1.00 0.00 O ATOM 0 H SER A 66 -9.399 -12.529 -4.365 1.00 0.00 H new ATOM 0 HA SER A 66 -11.044 -11.134 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.529 -10.248 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.249 -11.766 -7.226 1.00 0.00 H new ATOM 0 HG SER A 66 -8.817 -10.056 -8.687 1.00 0.00 H new ATOM 1038 N LYS A 67 -10.899 -13.270 -7.810 1.00 0.00 N ATOM 1039 CA LYS A 67 -11.161 -14.587 -8.376 1.00 0.00 C ATOM 1040 C LYS A 67 -10.790 -14.628 -9.855 1.00 0.00 C ATOM 1041 O LYS A 67 -10.714 -13.592 -10.513 1.00 0.00 O ATOM 1042 CB LYS A 67 -12.637 -14.955 -8.200 1.00 0.00 C ATOM 1043 CG LYS A 67 -12.978 -16.353 -8.688 1.00 0.00 C ATOM 1044 CD LYS A 67 -14.475 -16.609 -8.644 1.00 0.00 C ATOM 1045 CE LYS A 67 -14.782 -18.090 -8.490 1.00 0.00 C ATOM 1046 NZ LYS A 67 -14.679 -18.534 -7.072 1.00 0.00 N ATOM 0 H LYS A 67 -11.186 -12.492 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.545 -15.312 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.900 -14.873 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.250 -14.232 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.616 -16.482 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.464 -17.090 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.916 -16.057 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.937 -16.234 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.786 -18.293 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.092 -18.670 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.896 -19.549 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.714 -18.364 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.356 -17.999 -6.491 1.00 0.00 H new ATOM 1060 N GLU A 68 -10.561 -15.833 -10.369 1.00 0.00 N ATOM 1061 CA GLU A 68 -10.199 -16.006 -11.772 1.00 0.00 C ATOM 1062 C GLU A 68 -11.240 -16.848 -12.502 1.00 0.00 C ATOM 1063 O GLU A 68 -11.618 -17.926 -12.040 1.00 0.00 O ATOM 1064 CB GLU A 68 -8.821 -16.664 -11.887 1.00 0.00 C ATOM 1065 CG GLU A 68 -8.250 -16.636 -13.294 1.00 0.00 C ATOM 1066 CD GLU A 68 -6.930 -17.375 -13.403 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -6.946 -18.623 -13.376 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.882 -16.705 -13.513 1.00 0.00 O ATOM 0 H GLU A 68 -10.619 -16.701 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.164 -15.021 -12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.129 -16.159 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.893 -17.699 -11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.969 -17.080 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.109 -15.601 -13.604 1.00 0.00 H new ATOM 1075 N TYR A 69 -11.700 -16.351 -13.644 1.00 0.00 N ATOM 1076 CA TYR A 69 -12.699 -17.056 -14.438 1.00 0.00 C ATOM 1077 C TYR A 69 -12.037 -17.910 -15.515 1.00 0.00 C ATOM 1078 O TYR A 69 -11.074 -17.486 -16.156 1.00 0.00 O ATOM 1079 CB TYR A 69 -13.663 -16.060 -15.084 1.00 0.00 C ATOM 1080 CG TYR A 69 -14.680 -15.491 -14.120 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -14.279 -14.814 -12.974 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -16.043 -15.628 -14.355 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -15.205 -14.293 -12.091 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -16.976 -15.109 -13.479 1.00 0.00 C ATOM 1085 CZ TYR A 69 -16.551 -14.443 -12.348 1.00 0.00 C ATOM 1086 OH TYR A 69 -17.477 -13.924 -11.472 1.00 0.00 O ATOM 0 H TYR A 69 -11.397 -15.462 -14.041 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.257 -17.713 -13.771 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -13.089 -15.242 -15.519 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -14.187 -16.553 -15.903 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.225 -14.693 -12.770 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.379 -16.150 -15.239 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -14.876 -13.771 -11.204 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -18.031 -15.224 -13.678 1.00 0.00 H new ATOM 0 HH TYR A 69 -18.381 -14.115 -11.800 1.00 0.00 H new ATOM 1096 N SER A 70 -12.560 -19.116 -15.710 1.00 0.00 N ATOM 1097 CA SER A 70 -12.018 -20.033 -16.706 1.00 0.00 C ATOM 1098 C SER A 70 -12.072 -19.414 -18.099 1.00 0.00 C ATOM 1099 O SER A 70 -13.021 -18.707 -18.440 1.00 0.00 O ATOM 1100 CB SER A 70 -12.794 -21.352 -16.691 1.00 0.00 C ATOM 1101 OG SER A 70 -14.132 -21.162 -17.120 1.00 0.00 O ATOM 0 H SER A 70 -13.359 -19.481 -15.191 1.00 0.00 H new ATOM 0 HA SER A 70 -10.976 -20.230 -16.455 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.300 -22.075 -17.340 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.787 -21.770 -15.684 1.00 0.00 H new ATOM 0 HG SER A 70 -14.606 -22.020 -17.103 1.00 0.00 H new ATOM 1107 N ILE A 71 -11.046 -19.684 -18.899 1.00 0.00 N ATOM 1108 CA ILE A 71 -10.976 -19.154 -20.255 1.00 0.00 C ATOM 1109 C ILE A 71 -12.202 -19.556 -21.067 1.00 0.00 C ATOM 1110 O ILE A 71 -12.701 -20.675 -20.943 1.00 0.00 O ATOM 1111 CB ILE A 71 -9.709 -19.639 -20.985 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -8.458 -19.216 -20.213 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -9.673 -19.093 -22.405 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -7.237 -20.048 -20.542 1.00 0.00 C ATOM 0 H ILE A 71 -10.252 -20.266 -18.632 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.942 -18.068 -20.167 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.731 -20.728 -21.037 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.244 -18.169 -20.429 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.659 -19.286 -19.144 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.772 -19.445 -22.907 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.551 -19.439 -22.950 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.670 -18.003 -22.376 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.387 -19.693 -19.959 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.432 -21.093 -20.300 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.011 -19.958 -21.605 1.00 0.00 H new ATOM 1126 N ALA A 72 -12.683 -18.640 -21.900 1.00 0.00 N ATOM 1127 CA ALA A 72 -13.848 -18.900 -22.735 1.00 0.00 C ATOM 1128 C ALA A 72 -13.437 -19.467 -24.089 1.00 0.00 C ATOM 1129 O ALA A 72 -12.364 -19.150 -24.606 1.00 0.00 O ATOM 1130 CB ALA A 72 -14.662 -17.628 -22.917 1.00 0.00 C ATOM 0 H ALA A 72 -12.283 -17.709 -22.015 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.466 -19.644 -22.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.529 -17.838 -23.543 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.995 -17.267 -21.944 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.045 -16.867 -23.395 1.00 0.00 H new ATOM 1136 N SER A 73 -14.294 -20.307 -24.660 1.00 0.00 N ATOM 1137 CA SER A 73 -14.018 -20.921 -25.954 1.00 0.00 C ATOM 1138 C SER A 73 -13.660 -19.862 -26.992 1.00 0.00 C ATOM 1139 O SER A 73 -14.397 -18.899 -27.193 1.00 0.00 O ATOM 1140 CB SER A 73 -15.228 -21.729 -26.427 1.00 0.00 C ATOM 1141 OG SER A 73 -15.121 -22.049 -27.803 1.00 0.00 O ATOM 0 H SER A 73 -15.186 -20.578 -24.247 1.00 0.00 H new ATOM 0 HA SER A 73 -13.167 -21.591 -25.837 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.308 -22.645 -25.842 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.141 -21.159 -26.253 1.00 0.00 H new ATOM 0 HG SER A 73 -15.906 -22.567 -28.080 1.00 0.00 H new ATOM 1147 N GLY A 74 -12.521 -20.052 -27.652 1.00 0.00 N ATOM 1148 CA GLY A 74 -12.084 -19.107 -28.663 1.00 0.00 C ATOM 1149 C GLY A 74 -10.573 -19.014 -28.755 1.00 0.00 C ATOM 1150 O GLY A 74 -9.846 -19.880 -28.267 1.00 0.00 O ATOM 0 H GLY A 74 -11.894 -20.843 -27.505 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.486 -19.404 -29.632 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.493 -18.122 -28.436 1.00 0.00 H new ATOM 1154 N PRO A 75 -10.080 -17.945 -29.397 1.00 0.00 N ATOM 1155 CA PRO A 75 -8.643 -17.720 -29.569 1.00 0.00 C ATOM 1156 C PRO A 75 -7.948 -17.374 -28.257 1.00 0.00 C ATOM 1157 O PRO A 75 -8.291 -16.388 -27.603 1.00 0.00 O ATOM 1158 CB PRO A 75 -8.582 -16.533 -30.536 1.00 0.00 C ATOM 1159 CG PRO A 75 -9.872 -15.815 -30.333 1.00 0.00 C ATOM 1160 CD PRO A 75 -10.888 -16.875 -30.005 1.00 0.00 C ATOM 0 HA PRO A 75 -8.133 -18.611 -29.934 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.731 -15.888 -30.318 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.473 -16.867 -31.568 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.791 -15.088 -29.525 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.158 -15.264 -31.229 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.647 -16.504 -29.317 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.409 -17.222 -30.897 1.00 0.00 H new ATOM 1168 N SER A 76 -6.970 -18.189 -27.876 1.00 0.00 N ATOM 1169 CA SER A 76 -6.231 -17.972 -26.639 1.00 0.00 C ATOM 1170 C SER A 76 -5.961 -16.486 -26.423 1.00 0.00 C ATOM 1171 O SER A 76 -5.343 -15.827 -27.261 1.00 0.00 O ATOM 1172 CB SER A 76 -4.910 -18.743 -26.667 1.00 0.00 C ATOM 1173 OG SER A 76 -4.152 -18.417 -27.820 1.00 0.00 O ATOM 0 H SER A 76 -6.671 -19.007 -28.407 1.00 0.00 H new ATOM 0 HA SER A 76 -6.839 -18.338 -25.812 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.332 -18.513 -25.772 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.110 -19.814 -26.651 1.00 0.00 H new ATOM 0 HG SER A 76 -4.327 -17.487 -28.074 1.00 0.00 H new ATOM 1179 N SER A 77 -6.428 -15.963 -25.293 1.00 0.00 N ATOM 1180 CA SER A 77 -6.239 -14.553 -24.968 1.00 0.00 C ATOM 1181 C SER A 77 -6.343 -14.326 -23.462 1.00 0.00 C ATOM 1182 O SER A 77 -7.241 -14.852 -22.804 1.00 0.00 O ATOM 1183 CB SER A 77 -7.276 -13.698 -25.697 1.00 0.00 C ATOM 1184 OG SER A 77 -8.583 -13.950 -25.206 1.00 0.00 O ATOM 0 H SER A 77 -6.939 -16.494 -24.588 1.00 0.00 H new ATOM 0 HA SER A 77 -5.242 -14.259 -25.295 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.034 -12.643 -25.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.239 -13.909 -26.766 1.00 0.00 H new ATOM 0 HG SER A 77 -9.227 -13.390 -25.687 1.00 0.00 H new ATOM 1190 N GLY A 78 -5.417 -13.538 -22.924 1.00 0.00 N ATOM 1191 CA GLY A 78 -5.421 -13.254 -21.501 1.00 0.00 C ATOM 1192 C GLY A 78 -4.226 -13.854 -20.787 1.00 0.00 C ATOM 1193 O GLY A 78 -4.321 -14.238 -19.621 1.00 0.00 O ATOM 0 H GLY A 78 -4.664 -13.091 -23.448 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.427 -12.175 -21.349 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.338 -13.643 -21.058 1.00 0.00 H new TER 1197 GLY A 78