USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 510 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 43 ASN : amide:sc= -1.45! C(o=-0.85!,f=-16!) USER MOD Set 1.2: A 46 SER OG : rot 85:sc= 0.6! USER MOD Single : A 1 GLU N :NH3+ -140:sc= -0.0804 (180deg=-1.16) USER MOD Single : A 2 SER OG : rot -34:sc= 0.0237 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -0.0521 (180deg=-0.623) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0885! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.564 K(o=-0.56,f=-3.1!) USER MOD Single : A 15 TYR OH : rot 165:sc= -1.08 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= -0.136 (180deg=-0.233) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -1.87 (180deg=-1.96) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.855! C(o=-2.2!,f=-0.86!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.28 F(o=-2.6!,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -155:sc= -0.577 (180deg=-3.05!) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.186 (180deg=-1.48!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -2.012 -4.037 5.252 1.00 0.00 N ATOM 2 CA GLU A 1 -0.659 -3.637 5.734 1.00 0.00 C ATOM 3 C GLU A 1 -0.607 -2.124 5.968 1.00 0.00 C ATOM 4 O GLU A 1 -1.476 -1.390 5.540 1.00 0.00 O ATOM 5 CB GLU A 1 0.297 -4.038 4.610 1.00 0.00 C ATOM 6 CG GLU A 1 0.238 -5.553 4.407 1.00 0.00 C ATOM 7 CD GLU A 1 1.238 -5.961 3.324 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.778 -5.077 2.681 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.446 -7.152 3.157 1.00 0.00 O ATOM 0 H1 GLU A 1 -2.290 -4.932 5.703 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.701 -3.297 5.497 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.990 -4.161 4.220 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.400 -4.114 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.025 -3.526 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.314 -3.733 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.468 -6.065 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.769 -5.853 4.119 1.00 0.00 H new ATOM 18 N SER A 2 0.404 -1.653 6.646 1.00 0.00 N ATOM 19 CA SER A 2 0.510 -0.188 6.908 1.00 0.00 C ATOM 20 C SER A 2 0.931 0.547 5.633 1.00 0.00 C ATOM 21 O SER A 2 0.905 1.760 5.568 1.00 0.00 O ATOM 22 CB SER A 2 1.585 -0.055 7.985 1.00 0.00 C ATOM 23 OG SER A 2 1.633 1.290 8.441 1.00 0.00 O ATOM 0 H SER A 2 1.161 -2.218 7.030 1.00 0.00 H new ATOM 0 HA SER A 2 -0.439 0.245 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.367 -0.725 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.555 -0.350 7.584 1.00 0.00 H new ATOM 0 HG SER A 2 1.439 1.895 7.695 1.00 0.00 H new ATOM 29 N GLY A 3 1.316 -0.178 4.618 1.00 0.00 N ATOM 30 CA GLY A 3 1.737 0.474 3.347 1.00 0.00 C ATOM 31 C GLY A 3 2.619 1.686 3.657 1.00 0.00 C ATOM 32 O GLY A 3 2.495 2.729 3.046 1.00 0.00 O ATOM 0 H GLY A 3 1.357 -1.197 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.283 -0.236 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.860 0.786 2.779 1.00 0.00 H new ATOM 36 N LYS A 4 3.512 1.556 4.600 1.00 0.00 N ATOM 37 CA LYS A 4 4.403 2.701 4.946 1.00 0.00 C ATOM 38 C LYS A 4 5.566 2.783 3.952 1.00 0.00 C ATOM 39 O LYS A 4 6.049 1.781 3.465 1.00 0.00 O ATOM 40 CB LYS A 4 4.918 2.393 6.351 1.00 0.00 C ATOM 41 CG LYS A 4 5.740 3.578 6.864 1.00 0.00 C ATOM 42 CD LYS A 4 4.797 4.670 7.373 1.00 0.00 C ATOM 43 CE LYS A 4 5.617 5.802 7.997 1.00 0.00 C ATOM 44 NZ LYS A 4 6.291 6.463 6.844 1.00 0.00 N ATOM 0 H LYS A 4 3.663 0.708 5.146 1.00 0.00 H new ATOM 0 HA LYS A 4 3.882 3.658 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.081 2.199 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.530 1.491 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.404 3.254 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.370 3.970 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.192 5.055 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.108 4.256 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.979 6.502 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.344 5.417 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.496 7.454 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.180 5.967 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.668 6.430 6.012 1.00 0.00 H new ATOM 58 N ALA A 5 6.019 3.969 3.650 1.00 0.00 N ATOM 59 CA ALA A 5 7.149 4.112 2.688 1.00 0.00 C ATOM 60 C ALA A 5 8.479 3.817 3.387 1.00 0.00 C ATOM 61 O ALA A 5 9.414 4.590 3.318 1.00 0.00 O ATOM 62 CB ALA A 5 7.097 5.569 2.229 1.00 0.00 C ATOM 0 H ALA A 5 5.656 4.844 4.027 1.00 0.00 H new ATOM 0 HA ALA A 5 7.069 3.418 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.900 5.755 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.137 5.766 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.217 6.226 3.090 1.00 0.00 H new ATOM 68 N THR A 6 8.572 2.704 4.062 1.00 0.00 N ATOM 69 CA THR A 6 9.842 2.360 4.764 1.00 0.00 C ATOM 70 C THR A 6 10.989 2.244 3.759 1.00 0.00 C ATOM 71 O THR A 6 10.857 2.603 2.606 1.00 0.00 O ATOM 72 CB THR A 6 9.576 1.010 5.430 1.00 0.00 C ATOM 73 OG1 THR A 6 10.797 0.482 5.930 1.00 0.00 O ATOM 74 CG2 THR A 6 8.980 0.042 4.407 1.00 0.00 C ATOM 0 H THR A 6 7.824 2.018 4.158 1.00 0.00 H new ATOM 0 HA THR A 6 10.130 3.122 5.488 1.00 0.00 H new ATOM 0 HB THR A 6 8.873 1.143 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.628 -0.383 6.359 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.791 -0.920 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.043 0.448 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.680 -0.093 3.583 1.00 0.00 H new ATOM 82 N SER A 7 12.113 1.744 4.189 1.00 0.00 N ATOM 83 CA SER A 7 13.271 1.601 3.261 1.00 0.00 C ATOM 84 C SER A 7 13.078 0.375 2.363 1.00 0.00 C ATOM 85 O SER A 7 12.744 -0.697 2.824 1.00 0.00 O ATOM 86 CB SER A 7 14.486 1.416 4.169 1.00 0.00 C ATOM 87 OG SER A 7 14.837 2.664 4.749 1.00 0.00 O ATOM 0 H SER A 7 12.281 1.427 5.144 1.00 0.00 H new ATOM 0 HA SER A 7 13.383 2.463 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.262 0.690 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.325 1.020 3.596 1.00 0.00 H new ATOM 0 HG SER A 7 15.615 2.546 5.333 1.00 0.00 H new ATOM 93 N TYR A 8 13.288 0.526 1.083 1.00 0.00 N ATOM 94 CA TYR A 8 13.116 -0.632 0.159 1.00 0.00 C ATOM 95 C TYR A 8 13.921 -1.833 0.662 1.00 0.00 C ATOM 96 O TYR A 8 13.377 -2.887 0.928 1.00 0.00 O ATOM 97 CB TYR A 8 13.655 -0.146 -1.187 1.00 0.00 C ATOM 98 CG TYR A 8 12.869 1.066 -1.630 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.494 1.137 -1.377 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.514 2.117 -2.293 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.763 2.260 -1.786 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.784 3.239 -2.702 1.00 0.00 C ATOM 103 CZ TYR A 8 11.409 3.311 -2.449 1.00 0.00 C ATOM 104 OH TYR A 8 10.690 4.417 -2.850 1.00 0.00 O ATOM 0 H TYR A 8 13.571 1.399 0.638 1.00 0.00 H new ATOM 0 HA TYR A 8 12.078 -0.956 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.712 0.104 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.575 -0.938 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.997 0.326 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.575 2.062 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.702 2.315 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.282 4.050 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 8 11.289 5.053 -3.294 1.00 0.00 H new ATOM 114 N ALA A 9 15.210 -1.683 0.800 1.00 0.00 N ATOM 115 CA ALA A 9 16.045 -2.817 1.291 1.00 0.00 C ATOM 116 C ALA A 9 15.342 -3.523 2.453 1.00 0.00 C ATOM 117 O ALA A 9 15.529 -4.700 2.682 1.00 0.00 O ATOM 118 CB ALA A 9 17.350 -2.175 1.758 1.00 0.00 C ATOM 0 H ALA A 9 15.721 -0.825 0.594 1.00 0.00 H new ATOM 0 HA ALA A 9 16.217 -3.569 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.021 -2.947 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.823 -1.661 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.139 -1.458 2.552 1.00 0.00 H new ATOM 124 N GLU A 10 14.525 -2.812 3.183 1.00 0.00 N ATOM 125 CA GLU A 10 13.801 -3.445 4.321 1.00 0.00 C ATOM 126 C GLU A 10 12.420 -3.900 3.854 1.00 0.00 C ATOM 127 O GLU A 10 11.908 -4.916 4.281 1.00 0.00 O ATOM 128 CB GLU A 10 13.680 -2.348 5.379 1.00 0.00 C ATOM 129 CG GLU A 10 13.140 -2.950 6.677 1.00 0.00 C ATOM 130 CD GLU A 10 12.789 -1.826 7.654 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.076 -0.683 7.341 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.239 -2.128 8.701 1.00 0.00 O ATOM 0 H GLU A 10 14.328 -1.821 3.040 1.00 0.00 H new ATOM 0 HA GLU A 10 14.317 -4.321 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.653 -1.889 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.015 -1.560 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.257 -3.555 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.884 -3.612 7.120 1.00 0.00 H new ATOM 139 N LEU A 11 11.821 -3.158 2.964 1.00 0.00 N ATOM 140 CA LEU A 11 10.481 -3.545 2.447 1.00 0.00 C ATOM 141 C LEU A 11 10.623 -4.754 1.527 1.00 0.00 C ATOM 142 O LEU A 11 10.032 -5.793 1.747 1.00 0.00 O ATOM 143 CB LEU A 11 9.997 -2.325 1.662 1.00 0.00 C ATOM 144 CG LEU A 11 8.487 -2.426 1.442 1.00 0.00 C ATOM 145 CD1 LEU A 11 7.759 -1.977 2.710 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.084 -1.525 0.273 1.00 0.00 C ATOM 0 H LEU A 11 12.204 -2.298 2.572 1.00 0.00 H new ATOM 0 HA LEU A 11 9.783 -3.818 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.236 -1.411 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.512 -2.269 0.703 1.00 0.00 H new ATOM 0 HG LEU A 11 8.217 -3.457 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.682 -2.048 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.049 -2.618 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.026 -0.945 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.008 -1.595 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.351 -0.493 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.606 -1.844 -0.629 1.00 0.00 H new ATOM 158 N CYS A 12 11.420 -4.626 0.506 1.00 0.00 N ATOM 159 CA CYS A 12 11.627 -5.766 -0.428 1.00 0.00 C ATOM 160 C CYS A 12 12.332 -6.910 0.305 1.00 0.00 C ATOM 161 O CYS A 12 12.420 -8.017 -0.187 1.00 0.00 O ATOM 162 CB CYS A 12 12.514 -5.210 -1.540 1.00 0.00 C ATOM 163 SG CYS A 12 11.505 -4.218 -2.667 1.00 0.00 S ATOM 0 H CYS A 12 11.939 -3.778 0.277 1.00 0.00 H new ATOM 0 HA CYS A 12 10.691 -6.163 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.311 -4.600 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.991 -6.026 -2.083 1.00 0.00 H new ATOM 168 N ASN A 13 12.828 -6.647 1.484 1.00 0.00 N ATOM 169 CA ASN A 13 13.522 -7.711 2.264 1.00 0.00 C ATOM 170 C ASN A 13 12.754 -9.025 2.148 1.00 0.00 C ATOM 171 O ASN A 13 13.294 -10.048 1.775 1.00 0.00 O ATOM 172 CB ASN A 13 13.502 -7.208 3.705 1.00 0.00 C ATOM 173 CG ASN A 13 14.315 -8.157 4.589 1.00 0.00 C ATOM 174 OD1 ASN A 13 14.659 -9.247 4.177 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.637 -7.786 5.798 1.00 0.00 N ATOM 0 H ASN A 13 12.782 -5.737 1.942 1.00 0.00 H new ATOM 0 HA ASN A 13 14.535 -7.899 1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.917 -6.202 3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.475 -7.148 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.177 -8.411 6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.349 -6.871 6.145 1.00 0.00 H new ATOM 182 N GLU A 14 11.492 -8.999 2.465 1.00 0.00 N ATOM 183 CA GLU A 14 10.670 -10.239 2.377 1.00 0.00 C ATOM 184 C GLU A 14 10.909 -10.948 1.039 1.00 0.00 C ATOM 185 O GLU A 14 10.668 -12.132 0.905 1.00 0.00 O ATOM 186 CB GLU A 14 9.222 -9.759 2.476 1.00 0.00 C ATOM 187 CG GLU A 14 8.330 -10.916 2.931 1.00 0.00 C ATOM 188 CD GLU A 14 6.860 -10.530 2.746 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.592 -9.348 2.600 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.028 -11.422 2.754 1.00 0.00 O ATOM 0 H GLU A 14 10.991 -8.170 2.783 1.00 0.00 H new ATOM 0 HA GLU A 14 10.921 -10.954 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.150 -8.931 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.885 -9.385 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.557 -11.813 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.527 -11.151 3.977 1.00 0.00 H new ATOM 197 N TYR A 15 11.377 -10.239 0.045 1.00 0.00 N ATOM 198 CA TYR A 15 11.621 -10.887 -1.276 1.00 0.00 C ATOM 199 C TYR A 15 13.066 -11.382 -1.367 1.00 0.00 C ATOM 200 O TYR A 15 13.386 -12.240 -2.166 1.00 0.00 O ATOM 201 CB TYR A 15 11.355 -9.793 -2.308 1.00 0.00 C ATOM 202 CG TYR A 15 9.869 -9.561 -2.409 1.00 0.00 C ATOM 203 CD1 TYR A 15 9.076 -10.444 -3.148 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.284 -8.471 -1.756 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.695 -10.240 -3.236 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.902 -8.264 -1.843 1.00 0.00 C ATOM 207 CZ TYR A 15 7.107 -9.149 -2.583 1.00 0.00 C ATOM 208 OH TYR A 15 5.744 -8.946 -2.669 1.00 0.00 O ATOM 0 H TYR A 15 11.600 -9.245 0.091 1.00 0.00 H new ATOM 0 HA TYR A 15 10.983 -11.757 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.861 -8.872 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.757 -10.086 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.530 -11.285 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.898 -7.790 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.083 -10.923 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.449 -7.423 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 15 5.465 -8.306 -1.981 1.00 0.00 H new ATOM 218 N ARG A 16 13.941 -10.855 -0.556 1.00 0.00 N ATOM 219 CA ARG A 16 15.358 -11.309 -0.603 1.00 0.00 C ATOM 220 C ARG A 16 15.411 -12.835 -0.572 1.00 0.00 C ATOM 221 O ARG A 16 16.291 -13.449 -1.144 1.00 0.00 O ATOM 222 CB ARG A 16 16.007 -10.713 0.645 1.00 0.00 C ATOM 223 CG ARG A 16 16.173 -9.206 0.447 1.00 0.00 C ATOM 224 CD ARG A 16 17.001 -8.621 1.590 1.00 0.00 C ATOM 225 NE ARG A 16 16.685 -7.166 1.574 1.00 0.00 N ATOM 226 CZ ARG A 16 17.482 -6.318 2.164 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.335 -5.626 1.459 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.425 -6.160 3.458 1.00 0.00 N ATOM 0 H ARG A 16 13.737 -10.133 0.134 1.00 0.00 H new ATOM 0 HA ARG A 16 15.872 -10.991 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.391 -10.912 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.976 -11.178 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.662 -9.007 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.196 -8.725 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.735 -9.074 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.066 -8.797 1.439 1.00 0.00 H new ATOM 0 HE ARG A 16 15.845 -6.832 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.378 -5.748 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.958 -4.963 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.757 -6.700 4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.048 -5.497 3.919 1.00 0.00 H new ATOM 242 N LYS A 17 14.465 -13.453 0.078 1.00 0.00 N ATOM 243 CA LYS A 17 14.449 -14.940 0.131 1.00 0.00 C ATOM 244 C LYS A 17 13.960 -15.490 -1.210 1.00 0.00 C ATOM 245 O LYS A 17 14.190 -16.634 -1.547 1.00 0.00 O ATOM 246 CB LYS A 17 13.468 -15.291 1.251 1.00 0.00 C ATOM 247 CG LYS A 17 12.116 -14.634 0.968 1.00 0.00 C ATOM 248 CD LYS A 17 11.028 -15.338 1.782 1.00 0.00 C ATOM 249 CE LYS A 17 9.675 -14.683 1.497 1.00 0.00 C ATOM 250 NZ LYS A 17 8.709 -15.816 1.434 1.00 0.00 N ATOM 0 H LYS A 17 13.703 -12.992 0.575 1.00 0.00 H new ATOM 0 HA LYS A 17 15.435 -15.366 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.351 -16.372 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.857 -14.949 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.152 -13.576 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.886 -14.694 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.993 -16.397 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.257 -15.276 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.405 -13.976 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.694 -14.127 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.776 -15.461 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.043 -16.519 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.632 -16.259 2.372 1.00 0.00 H new ATOM 264 N LEU A 18 13.292 -14.673 -1.980 1.00 0.00 N ATOM 265 CA LEU A 18 12.793 -15.135 -3.307 1.00 0.00 C ATOM 266 C LEU A 18 13.867 -14.898 -4.372 1.00 0.00 C ATOM 267 O LEU A 18 14.001 -15.654 -5.315 1.00 0.00 O ATOM 268 CB LEU A 18 11.556 -14.280 -3.598 1.00 0.00 C ATOM 269 CG LEU A 18 10.712 -14.135 -2.328 1.00 0.00 C ATOM 270 CD1 LEU A 18 9.417 -13.392 -2.659 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.367 -15.518 -1.781 1.00 0.00 C ATOM 0 H LEU A 18 13.070 -13.705 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 18 12.555 -16.199 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.859 -13.297 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.963 -14.740 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 18 11.278 -13.577 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.816 -13.288 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.655 -12.403 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.856 -13.954 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.767 -15.412 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.802 -16.075 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.285 -16.056 -1.545 1.00 0.00 H new ATOM 283 N VAL A 19 14.637 -13.852 -4.227 1.00 0.00 N ATOM 284 CA VAL A 19 15.705 -13.565 -5.227 1.00 0.00 C ATOM 285 C VAL A 19 16.708 -14.721 -5.269 1.00 0.00 C ATOM 286 O VAL A 19 17.200 -15.164 -4.250 1.00 0.00 O ATOM 287 CB VAL A 19 16.384 -12.285 -4.730 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.328 -11.758 -5.813 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.325 -11.225 -4.419 1.00 0.00 C ATOM 0 H VAL A 19 14.572 -13.184 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 19 15.307 -13.448 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 19 16.950 -12.505 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.812 -10.847 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.086 -12.510 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.759 -11.541 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.812 -10.316 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.755 -11.004 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.652 -11.599 -3.648 1.00 0.00 H new ATOM 299 N ARG A 20 17.015 -15.214 -6.437 1.00 0.00 N ATOM 300 CA ARG A 20 17.987 -16.342 -6.537 1.00 0.00 C ATOM 301 C ARG A 20 19.355 -15.823 -6.990 1.00 0.00 C ATOM 302 O ARG A 20 20.185 -15.449 -6.185 1.00 0.00 O ATOM 303 CB ARG A 20 17.393 -17.284 -7.586 1.00 0.00 C ATOM 304 CG ARG A 20 16.316 -18.155 -6.936 1.00 0.00 C ATOM 305 CD ARG A 20 16.617 -19.630 -7.214 1.00 0.00 C ATOM 306 NE ARG A 20 15.471 -20.372 -6.619 1.00 0.00 N ATOM 307 CZ ARG A 20 15.340 -20.440 -5.323 1.00 0.00 C ATOM 308 NH1 ARG A 20 15.652 -21.540 -4.692 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.897 -19.409 -4.656 1.00 0.00 N ATOM 0 H ARG A 20 16.636 -14.886 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 20 18.140 -16.843 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.964 -16.708 -8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.176 -17.912 -8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.287 -17.975 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.334 -17.893 -7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.700 -19.822 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.562 -19.933 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 20 14.788 -20.827 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.998 -22.346 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.550 -21.593 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.653 -18.550 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.795 -19.463 -3.643 1.00 0.00 H new ATOM 323 N ASN A 21 19.599 -15.799 -8.272 1.00 0.00 N ATOM 324 CA ASN A 21 20.914 -15.306 -8.772 1.00 0.00 C ATOM 325 C ASN A 21 20.719 -14.040 -9.611 1.00 0.00 C ATOM 326 O ASN A 21 21.090 -13.987 -10.767 1.00 0.00 O ATOM 327 CB ASN A 21 21.462 -16.443 -9.634 1.00 0.00 C ATOM 328 CG ASN A 21 21.830 -17.628 -8.742 1.00 0.00 C ATOM 329 OD1 ASN A 21 22.901 -17.665 -8.169 1.00 0.00 O ATOM 330 ND2 ASN A 21 20.980 -18.607 -8.599 1.00 0.00 N ATOM 0 H ASN A 21 18.945 -16.099 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 21 21.594 -15.047 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.718 -16.746 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.338 -16.104 -10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.214 -19.403 -8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.081 -18.576 -9.080 1.00 0.00 H new ATOM 337 N GLY A 22 20.140 -13.021 -9.038 1.00 0.00 N ATOM 338 CA GLY A 22 19.923 -11.761 -9.803 1.00 0.00 C ATOM 339 C GLY A 22 18.498 -11.743 -10.361 1.00 0.00 C ATOM 340 O GLY A 22 18.169 -10.954 -11.225 1.00 0.00 O ATOM 0 H GLY A 22 19.808 -13.006 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.083 -10.898 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.645 -11.688 -10.617 1.00 0.00 H new ATOM 344 N LYS A 23 17.649 -12.606 -9.872 1.00 0.00 N ATOM 345 CA LYS A 23 16.246 -12.637 -10.375 1.00 0.00 C ATOM 346 C LYS A 23 15.269 -12.813 -9.210 1.00 0.00 C ATOM 347 O LYS A 23 15.484 -13.615 -8.322 1.00 0.00 O ATOM 348 CB LYS A 23 16.187 -13.846 -11.310 1.00 0.00 C ATOM 349 CG LYS A 23 16.306 -15.130 -10.488 1.00 0.00 C ATOM 350 CD LYS A 23 16.276 -16.340 -11.425 1.00 0.00 C ATOM 351 CE LYS A 23 15.982 -17.605 -10.614 1.00 0.00 C ATOM 352 NZ LYS A 23 17.305 -18.274 -10.461 1.00 0.00 N ATOM 0 H LYS A 23 17.866 -13.290 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 23 15.970 -11.713 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.250 -13.843 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.993 -13.793 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.233 -15.123 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.488 -15.192 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.514 -16.201 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.232 -16.439 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.547 -17.361 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.270 -18.249 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.219 -19.065 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.620 -18.635 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.000 -17.590 -10.101 1.00 0.00 H new ATOM 366 N LEU A 24 14.197 -12.069 -9.203 1.00 0.00 N ATOM 367 CA LEU A 24 13.208 -12.195 -8.094 1.00 0.00 C ATOM 368 C LEU A 24 12.053 -13.107 -8.518 1.00 0.00 C ATOM 369 O LEU A 24 11.587 -13.054 -9.640 1.00 0.00 O ATOM 370 CB LEU A 24 12.705 -10.772 -7.848 1.00 0.00 C ATOM 371 CG LEU A 24 12.664 -10.495 -6.342 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.849 -9.227 -6.081 1.00 0.00 C ATOM 373 CD2 LEU A 24 12.011 -11.674 -5.618 1.00 0.00 C ATOM 0 H LEU A 24 13.963 -11.379 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 24 13.646 -12.633 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.359 -10.054 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.711 -10.647 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 24 13.681 -10.361 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.819 -9.028 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.313 -8.384 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.834 -9.364 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.984 -11.473 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.995 -11.810 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.589 -12.580 -5.803 1.00 0.00 H new ATOM 385 N ALA A 25 11.587 -13.942 -7.631 1.00 0.00 N ATOM 386 CA ALA A 25 10.462 -14.854 -7.986 1.00 0.00 C ATOM 387 C ALA A 25 9.254 -14.578 -7.088 1.00 0.00 C ATOM 388 O ALA A 25 9.353 -14.588 -5.876 1.00 0.00 O ATOM 389 CB ALA A 25 11.002 -16.263 -7.738 1.00 0.00 C ATOM 0 H ALA A 25 11.936 -14.033 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 25 10.130 -14.719 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.231 -16.995 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.874 -16.435 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.287 -16.364 -6.691 1.00 0.00 H new ATOM 395 N CYS A 26 8.114 -14.331 -7.671 1.00 0.00 N ATOM 396 CA CYS A 26 6.899 -14.054 -6.850 1.00 0.00 C ATOM 397 C CYS A 26 5.654 -14.614 -7.543 1.00 0.00 C ATOM 398 O CYS A 26 5.743 -15.294 -8.545 1.00 0.00 O ATOM 399 CB CYS A 26 6.823 -12.530 -6.757 1.00 0.00 C ATOM 400 SG CYS A 26 6.575 -11.837 -8.410 1.00 0.00 S ATOM 0 H CYS A 26 7.970 -14.309 -8.680 1.00 0.00 H new ATOM 0 HA CYS A 26 6.950 -14.520 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.004 -12.235 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.740 -12.135 -6.319 1.00 0.00 H new ATOM 405 N THR A 27 4.494 -14.332 -7.016 1.00 0.00 N ATOM 406 CA THR A 27 3.245 -14.848 -7.645 1.00 0.00 C ATOM 407 C THR A 27 2.467 -13.700 -8.296 1.00 0.00 C ATOM 408 O THR A 27 2.917 -12.573 -8.330 1.00 0.00 O ATOM 409 CB THR A 27 2.443 -15.454 -6.492 1.00 0.00 C ATOM 410 OG1 THR A 27 2.475 -14.571 -5.380 1.00 0.00 O ATOM 411 CG2 THR A 27 3.053 -16.799 -6.096 1.00 0.00 C ATOM 0 H THR A 27 4.357 -13.767 -6.178 1.00 0.00 H new ATOM 0 HA THR A 27 3.448 -15.578 -8.429 1.00 0.00 H new ATOM 0 HB THR A 27 1.410 -15.605 -6.807 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.960 -14.957 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.481 -17.230 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.028 -17.476 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.086 -16.651 -5.781 1.00 0.00 H new ATOM 419 N ARG A 28 1.303 -13.980 -8.814 1.00 0.00 N ATOM 420 CA ARG A 28 0.497 -12.906 -9.462 1.00 0.00 C ATOM 421 C ARG A 28 -0.309 -12.140 -8.410 1.00 0.00 C ATOM 422 O ARG A 28 -1.491 -11.906 -8.568 1.00 0.00 O ATOM 423 CB ARG A 28 -0.438 -13.639 -10.425 1.00 0.00 C ATOM 424 CG ARG A 28 0.391 -14.384 -11.473 1.00 0.00 C ATOM 425 CD ARG A 28 -0.546 -15.096 -12.451 1.00 0.00 C ATOM 426 NE ARG A 28 0.352 -15.925 -13.305 1.00 0.00 N ATOM 427 CZ ARG A 28 1.105 -16.842 -12.762 1.00 0.00 C ATOM 428 NH1 ARG A 28 0.720 -18.089 -12.766 1.00 0.00 N ATOM 429 NH2 ARG A 28 2.243 -16.512 -12.214 1.00 0.00 N ATOM 0 H ARG A 28 0.875 -14.906 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 28 1.121 -12.175 -9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.065 -14.341 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.106 -12.928 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.032 -13.685 -12.010 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.046 -15.108 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.272 -15.715 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.111 -14.381 -13.049 1.00 0.00 H new ATOM 0 HE ARG A 28 0.378 -15.775 -14.314 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.169 -18.347 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.309 -18.806 -12.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.544 -15.537 -12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.832 -17.229 -11.790 1.00 0.00 H new ATOM 443 N GLU A 29 0.321 -11.747 -7.336 1.00 0.00 N ATOM 444 CA GLU A 29 -0.410 -10.996 -6.275 1.00 0.00 C ATOM 445 C GLU A 29 -1.234 -9.867 -6.899 1.00 0.00 C ATOM 446 O GLU A 29 -0.813 -9.225 -7.840 1.00 0.00 O ATOM 447 CB GLU A 29 0.682 -10.426 -5.369 1.00 0.00 C ATOM 448 CG GLU A 29 0.042 -9.554 -4.286 1.00 0.00 C ATOM 449 CD GLU A 29 1.132 -8.756 -3.565 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.267 -8.807 -4.010 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.811 -8.109 -2.583 1.00 0.00 O ATOM 0 H GLU A 29 1.310 -11.913 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.106 -11.630 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.249 -11.236 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.386 -9.837 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.685 -8.876 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.499 -10.178 -3.574 1.00 0.00 H new ATOM 458 N ASN A 30 -2.407 -9.620 -6.382 1.00 0.00 N ATOM 459 CA ASN A 30 -3.257 -8.532 -6.946 1.00 0.00 C ATOM 460 C ASN A 30 -3.051 -7.236 -6.158 1.00 0.00 C ATOM 461 O ASN A 30 -3.988 -6.651 -5.652 1.00 0.00 O ATOM 462 CB ASN A 30 -4.694 -9.032 -6.793 1.00 0.00 C ATOM 463 CG ASN A 30 -4.993 -9.278 -5.315 1.00 0.00 C ATOM 464 OD1 ASN A 30 -5.070 -10.504 -4.874 1.00 0.00 O flip ATOM 465 ND2 ASN A 30 -5.158 -8.347 -4.551 1.00 0.00 N flip ATOM 0 H ASN A 30 -2.813 -10.124 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.011 -8.313 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.391 -8.299 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.833 -9.952 -7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.098 -7.388 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.356 -8.524 -3.566 1.00 0.00 H new ATOM 472 N ASP A 31 -1.833 -6.784 -6.050 1.00 0.00 N ATOM 473 CA ASP A 31 -1.567 -5.526 -5.295 1.00 0.00 C ATOM 474 C ASP A 31 -0.579 -4.643 -6.069 1.00 0.00 C ATOM 475 O ASP A 31 0.593 -4.609 -5.754 1.00 0.00 O ATOM 476 CB ASP A 31 -0.956 -5.980 -3.970 1.00 0.00 C ATOM 477 CG ASP A 31 -0.768 -4.770 -3.053 1.00 0.00 C ATOM 478 OD1 ASP A 31 -1.246 -3.705 -3.406 1.00 0.00 O ATOM 479 OD2 ASP A 31 -0.148 -4.929 -2.015 1.00 0.00 O ATOM 0 H ASP A 31 -1.009 -7.231 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.471 -4.935 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.604 -6.715 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.003 -6.467 -4.148 1.00 0.00 H new ATOM 484 N PRO A 32 -1.086 -3.955 -7.063 1.00 0.00 N ATOM 485 CA PRO A 32 -0.235 -3.067 -7.887 1.00 0.00 C ATOM 486 C PRO A 32 0.359 -1.948 -7.031 1.00 0.00 C ATOM 487 O PRO A 32 -0.224 -1.521 -6.054 1.00 0.00 O ATOM 488 CB PRO A 32 -1.224 -2.507 -8.913 1.00 0.00 C ATOM 489 CG PRO A 32 -2.617 -3.102 -8.634 1.00 0.00 C ATOM 490 CD PRO A 32 -2.523 -4.027 -7.413 1.00 0.00 C ATOM 0 HA PRO A 32 0.615 -3.575 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.258 -1.419 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.902 -2.757 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.338 -2.305 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.971 -3.658 -9.502 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.157 -3.684 -6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.832 -5.045 -7.651 1.00 0.00 H new ATOM 498 N ILE A 33 1.515 -1.469 -7.393 1.00 0.00 N ATOM 499 CA ILE A 33 2.154 -0.373 -6.607 1.00 0.00 C ATOM 500 C ILE A 33 3.048 0.474 -7.517 1.00 0.00 C ATOM 501 O ILE A 33 3.004 0.363 -8.726 1.00 0.00 O ATOM 502 CB ILE A 33 2.988 -1.072 -5.518 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.325 -1.547 -6.098 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.218 -2.275 -4.966 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.077 -2.345 -7.378 1.00 0.00 C ATOM 0 H ILE A 33 2.048 -1.789 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 33 1.416 0.299 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 33 3.179 -0.361 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.965 -0.691 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.850 -2.164 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.813 -2.766 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.275 -1.937 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.017 -2.980 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.030 -2.681 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.454 -3.210 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.571 -1.714 -8.108 1.00 0.00 H new ATOM 517 N GLN A 34 3.858 1.319 -6.943 1.00 0.00 N ATOM 518 CA GLN A 34 4.756 2.173 -7.771 1.00 0.00 C ATOM 519 C GLN A 34 6.204 2.030 -7.296 1.00 0.00 C ATOM 520 O GLN A 34 6.465 1.579 -6.199 1.00 0.00 O ATOM 521 CB GLN A 34 4.255 3.602 -7.552 1.00 0.00 C ATOM 522 CG GLN A 34 2.768 3.680 -7.904 1.00 0.00 C ATOM 523 CD GLN A 34 2.247 5.087 -7.611 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.939 5.894 -7.021 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.046 5.420 -8.001 1.00 0.00 N ATOM 0 H GLN A 34 3.937 1.456 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 34 4.739 1.894 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.410 3.898 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.823 4.297 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.619 3.438 -8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.208 2.946 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.465 4.744 -8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.689 6.356 -7.811 1.00 0.00 H new ATOM 534 N GLY A 35 7.149 2.410 -8.114 1.00 0.00 N ATOM 535 CA GLY A 35 8.576 2.291 -7.705 1.00 0.00 C ATOM 536 C GLY A 35 9.234 3.675 -7.727 1.00 0.00 C ATOM 537 O GLY A 35 8.662 4.623 -8.227 1.00 0.00 O ATOM 0 H GLY A 35 6.994 2.797 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.644 1.861 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.103 1.616 -8.379 1.00 0.00 H new ATOM 541 N PRO A 36 10.425 3.749 -7.183 1.00 0.00 N ATOM 542 CA PRO A 36 11.168 5.031 -7.141 1.00 0.00 C ATOM 543 C PRO A 36 11.449 5.537 -8.559 1.00 0.00 C ATOM 544 O PRO A 36 11.715 6.703 -8.770 1.00 0.00 O ATOM 545 CB PRO A 36 12.468 4.644 -6.429 1.00 0.00 C ATOM 546 CG PRO A 36 12.419 3.142 -6.087 1.00 0.00 C ATOM 547 CD PRO A 36 11.088 2.564 -6.584 1.00 0.00 C ATOM 0 HA PRO A 36 10.626 5.834 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.326 4.858 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.591 5.234 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.255 2.621 -6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.515 2.997 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.239 1.770 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.501 2.139 -5.770 1.00 0.00 H new ATOM 555 N ASP A 37 11.393 4.668 -9.531 1.00 0.00 N ATOM 556 CA ASP A 37 11.658 5.103 -10.932 1.00 0.00 C ATOM 557 C ASP A 37 10.506 5.963 -11.444 1.00 0.00 C ATOM 558 O ASP A 37 10.684 6.819 -12.289 1.00 0.00 O ATOM 559 CB ASP A 37 11.767 3.808 -11.738 1.00 0.00 C ATOM 560 CG ASP A 37 12.941 2.979 -11.214 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.786 3.544 -10.540 1.00 0.00 O ATOM 562 OD2 ASP A 37 12.975 1.793 -11.496 1.00 0.00 O ATOM 0 H ASP A 37 11.176 3.678 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 37 12.562 5.707 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.841 3.238 -11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.911 4.035 -12.794 1.00 0.00 H new ATOM 567 N GLY A 38 9.328 5.751 -10.936 1.00 0.00 N ATOM 568 CA GLY A 38 8.170 6.563 -11.391 1.00 0.00 C ATOM 569 C GLY A 38 7.186 5.676 -12.156 1.00 0.00 C ATOM 570 O GLY A 38 6.016 5.984 -12.267 1.00 0.00 O ATOM 0 H GLY A 38 9.116 5.051 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.674 7.018 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.513 7.377 -12.030 1.00 0.00 H new ATOM 574 N LYS A 39 7.652 4.580 -12.688 1.00 0.00 N ATOM 575 CA LYS A 39 6.743 3.676 -13.450 1.00 0.00 C ATOM 576 C LYS A 39 6.058 2.685 -12.504 1.00 0.00 C ATOM 577 O LYS A 39 6.533 2.419 -11.417 1.00 0.00 O ATOM 578 CB LYS A 39 7.652 2.937 -14.431 1.00 0.00 C ATOM 579 CG LYS A 39 6.799 2.094 -15.381 1.00 0.00 C ATOM 580 CD LYS A 39 7.705 1.174 -16.201 1.00 0.00 C ATOM 581 CE LYS A 39 6.904 0.564 -17.353 1.00 0.00 C ATOM 582 NZ LYS A 39 7.863 -0.345 -18.045 1.00 0.00 N ATOM 0 H LYS A 39 8.622 4.271 -12.629 1.00 0.00 H new ATOM 0 HA LYS A 39 5.951 4.225 -13.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.249 3.651 -14.998 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.349 2.299 -13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.080 1.503 -14.814 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.226 2.742 -16.044 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.554 1.736 -16.591 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.109 0.385 -15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.036 0.017 -16.985 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.532 1.335 -18.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.389 -0.803 -18.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.676 0.205 -18.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.194 -1.072 -17.379 1.00 0.00 H new ATOM 596 N VAL A 40 4.946 2.137 -12.910 1.00 0.00 N ATOM 597 CA VAL A 40 4.231 1.162 -12.038 1.00 0.00 C ATOM 598 C VAL A 40 4.583 -0.270 -12.450 1.00 0.00 C ATOM 599 O VAL A 40 4.982 -0.522 -13.570 1.00 0.00 O ATOM 600 CB VAL A 40 2.745 1.437 -12.270 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.910 0.370 -11.562 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.387 2.817 -11.713 1.00 0.00 C ATOM 0 H VAL A 40 4.501 2.322 -13.809 1.00 0.00 H new ATOM 0 HA VAL A 40 4.505 1.268 -10.988 1.00 0.00 H new ATOM 0 HB VAL A 40 2.535 1.411 -13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.851 0.567 -11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.163 -0.613 -11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.120 0.394 -10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.328 3.013 -11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.598 2.844 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.980 3.579 -12.219 1.00 0.00 H new ATOM 612 N HIS A 41 4.442 -1.210 -11.557 1.00 0.00 N ATOM 613 CA HIS A 41 4.770 -2.623 -11.903 1.00 0.00 C ATOM 614 C HIS A 41 3.552 -3.523 -11.679 1.00 0.00 C ATOM 615 O HIS A 41 2.537 -3.094 -11.166 1.00 0.00 O ATOM 616 CB HIS A 41 5.905 -3.009 -10.953 1.00 0.00 C ATOM 617 CG HIS A 41 7.049 -2.047 -11.125 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.429 -0.937 -10.412 1.00 0.00 N flip ATOM 619 CD2 HIS A 41 7.974 -2.175 -12.149 1.00 0.00 C flip ATOM 620 CE1 HIS A 41 8.570 -0.383 -10.983 1.00 0.00 C flip ATOM 621 NE2 HIS A 41 8.857 -1.167 -12.026 1.00 0.00 N flip ATOM 0 H HIS A 41 4.114 -1.062 -10.603 1.00 0.00 H new ATOM 0 HA HIS A 41 5.056 -2.735 -12.949 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.553 -2.992 -9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.237 -4.027 -11.159 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.984 -2.944 -12.908 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.109 0.493 -10.654 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.648 -1.020 -12.652 1.00 0.00 H new ATOM 629 N GLY A 42 3.645 -4.767 -12.062 1.00 0.00 N ATOM 630 CA GLY A 42 2.492 -5.693 -11.873 1.00 0.00 C ATOM 631 C GLY A 42 2.190 -5.835 -10.380 1.00 0.00 C ATOM 632 O GLY A 42 1.097 -5.554 -9.928 1.00 0.00 O ATOM 0 H GLY A 42 4.469 -5.182 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.616 -5.311 -12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.721 -6.668 -12.303 1.00 0.00 H new ATOM 636 N ASN A 43 3.148 -6.272 -9.609 1.00 0.00 N ATOM 637 CA ASN A 43 2.912 -6.432 -8.145 1.00 0.00 C ATOM 638 C ASN A 43 4.088 -5.870 -7.348 1.00 0.00 C ATOM 639 O ASN A 43 4.871 -5.084 -7.841 1.00 0.00 O ATOM 640 CB ASN A 43 2.775 -7.939 -7.924 1.00 0.00 C ATOM 641 CG ASN A 43 3.934 -8.665 -8.605 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.897 -8.048 -9.017 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.880 -9.960 -8.741 1.00 0.00 N ATOM 0 H ASN A 43 4.083 -6.525 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 43 2.026 -5.892 -7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.770 -8.161 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.825 -8.291 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.647 -10.458 -9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.071 -10.476 -8.395 1.00 0.00 H new ATOM 650 N THR A 44 4.204 -6.261 -6.112 1.00 0.00 N ATOM 651 CA THR A 44 5.316 -5.746 -5.260 1.00 0.00 C ATOM 652 C THR A 44 6.658 -6.334 -5.700 1.00 0.00 C ATOM 653 O THR A 44 7.626 -5.623 -5.883 1.00 0.00 O ATOM 654 CB THR A 44 4.970 -6.203 -3.842 1.00 0.00 C ATOM 655 OG1 THR A 44 3.763 -5.578 -3.427 1.00 0.00 O ATOM 656 CG2 THR A 44 6.103 -5.817 -2.890 1.00 0.00 C ATOM 0 H THR A 44 3.575 -6.918 -5.650 1.00 0.00 H new ATOM 0 HA THR A 44 5.415 -4.663 -5.332 1.00 0.00 H new ATOM 0 HB THR A 44 4.841 -7.285 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.538 -5.871 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.856 -6.143 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.027 -6.298 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.234 -4.735 -2.900 1.00 0.00 H new ATOM 664 N CYS A 45 6.727 -7.623 -5.862 1.00 0.00 N ATOM 665 CA CYS A 45 8.018 -8.242 -6.281 1.00 0.00 C ATOM 666 C CYS A 45 8.562 -7.536 -7.526 1.00 0.00 C ATOM 667 O CYS A 45 9.750 -7.312 -7.651 1.00 0.00 O ATOM 668 CB CYS A 45 7.693 -9.709 -6.574 1.00 0.00 C ATOM 669 SG CYS A 45 6.819 -9.848 -8.154 1.00 0.00 S ATOM 0 H CYS A 45 5.953 -8.273 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 45 8.786 -8.155 -5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.612 -10.294 -6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.080 -10.121 -5.773 1.00 0.00 H new ATOM 674 N SER A 46 7.705 -7.170 -8.442 1.00 0.00 N ATOM 675 CA SER A 46 8.189 -6.465 -9.663 1.00 0.00 C ATOM 676 C SER A 46 8.919 -5.190 -9.246 1.00 0.00 C ATOM 677 O SER A 46 9.947 -4.841 -9.789 1.00 0.00 O ATOM 678 CB SER A 46 6.928 -6.133 -10.463 1.00 0.00 C ATOM 679 OG SER A 46 6.255 -7.335 -10.804 1.00 0.00 O ATOM 0 H SER A 46 6.698 -7.328 -8.398 1.00 0.00 H new ATOM 0 HA SER A 46 8.883 -7.064 -10.252 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.272 -5.489 -9.877 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.192 -5.582 -11.366 1.00 0.00 H new ATOM 0 HG SER A 46 5.671 -7.604 -10.064 1.00 0.00 H new ATOM 685 N MET A 47 8.405 -4.504 -8.264 1.00 0.00 N ATOM 686 CA MET A 47 9.080 -3.268 -7.789 1.00 0.00 C ATOM 687 C MET A 47 10.320 -3.662 -6.991 1.00 0.00 C ATOM 688 O MET A 47 11.264 -2.909 -6.860 1.00 0.00 O ATOM 689 CB MET A 47 8.056 -2.582 -6.887 1.00 0.00 C ATOM 690 CG MET A 47 8.115 -1.072 -7.111 1.00 0.00 C ATOM 691 SD MET A 47 9.589 -0.400 -6.303 1.00 0.00 S ATOM 692 CE MET A 47 9.251 -1.040 -4.645 1.00 0.00 C ATOM 0 H MET A 47 7.546 -4.747 -7.770 1.00 0.00 H new ATOM 0 HA MET A 47 9.399 -2.613 -8.600 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.055 -2.954 -7.105 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.262 -2.814 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.140 -0.853 -8.178 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.219 -0.599 -6.709 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.751 -0.415 -3.905 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.176 -1.029 -4.463 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.621 -2.062 -4.567 1.00 0.00 H new ATOM 702 N CYS A 48 10.313 -4.853 -6.462 1.00 0.00 N ATOM 703 CA CYS A 48 11.478 -5.335 -5.668 1.00 0.00 C ATOM 704 C CYS A 48 12.514 -5.985 -6.592 1.00 0.00 C ATOM 705 O CYS A 48 13.695 -5.986 -6.310 1.00 0.00 O ATOM 706 CB CYS A 48 10.890 -6.367 -4.703 1.00 0.00 C ATOM 707 SG CYS A 48 10.096 -5.506 -3.322 1.00 0.00 S ATOM 0 H CYS A 48 9.545 -5.519 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 48 11.988 -4.528 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.165 -6.995 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.676 -7.026 -4.333 1.00 0.00 H new ATOM 712 N GLU A 49 12.081 -6.535 -7.696 1.00 0.00 N ATOM 713 CA GLU A 49 13.049 -7.176 -8.632 1.00 0.00 C ATOM 714 C GLU A 49 13.954 -6.107 -9.252 1.00 0.00 C ATOM 715 O GLU A 49 15.161 -6.244 -9.284 1.00 0.00 O ATOM 716 CB GLU A 49 12.176 -7.879 -9.689 1.00 0.00 C ATOM 717 CG GLU A 49 11.956 -6.975 -10.909 1.00 0.00 C ATOM 718 CD GLU A 49 11.255 -7.770 -12.012 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.028 -8.952 -11.810 1.00 0.00 O ATOM 720 OE2 GLU A 49 10.957 -7.184 -13.040 1.00 0.00 O ATOM 0 H GLU A 49 11.104 -6.568 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 49 13.712 -7.888 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.654 -8.808 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.214 -8.147 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.354 -6.110 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.911 -6.595 -11.271 1.00 0.00 H new ATOM 727 N VAL A 50 13.382 -5.035 -9.730 1.00 0.00 N ATOM 728 CA VAL A 50 14.217 -3.955 -10.327 1.00 0.00 C ATOM 729 C VAL A 50 15.177 -3.430 -9.263 1.00 0.00 C ATOM 730 O VAL A 50 16.345 -3.209 -9.513 1.00 0.00 O ATOM 731 CB VAL A 50 13.230 -2.870 -10.755 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.064 -3.515 -11.503 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.700 -2.140 -9.518 1.00 0.00 C ATOM 0 H VAL A 50 12.377 -4.861 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 50 14.814 -4.296 -11.173 1.00 0.00 H new ATOM 0 HB VAL A 50 13.734 -2.156 -11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.358 -2.744 -11.810 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.440 -4.034 -12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.562 -4.228 -10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.996 -1.367 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.195 -2.851 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.531 -1.682 -8.982 1.00 0.00 H new ATOM 743 N PHE A 51 14.691 -3.250 -8.066 1.00 0.00 N ATOM 744 CA PHE A 51 15.573 -2.764 -6.970 1.00 0.00 C ATOM 745 C PHE A 51 16.639 -3.821 -6.692 1.00 0.00 C ATOM 746 O PHE A 51 17.801 -3.520 -6.504 1.00 0.00 O ATOM 747 CB PHE A 51 14.651 -2.589 -5.763 1.00 0.00 C ATOM 748 CG PHE A 51 15.478 -2.477 -4.505 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.473 -1.497 -4.406 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.246 -3.349 -3.434 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.238 -1.391 -3.238 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.010 -3.242 -2.266 1.00 0.00 C ATOM 753 CZ PHE A 51 17.006 -2.263 -2.168 1.00 0.00 C ATOM 0 H PHE A 51 13.721 -3.419 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 51 16.085 -1.833 -7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.038 -1.696 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.969 -3.436 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.651 -0.823 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.478 -4.104 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.007 -0.636 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.831 -3.915 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.595 -2.181 -1.267 1.00 0.00 H new ATOM 763 N PHE A 52 16.244 -5.063 -6.682 1.00 0.00 N ATOM 764 CA PHE A 52 17.219 -6.161 -6.439 1.00 0.00 C ATOM 765 C PHE A 52 18.248 -6.196 -7.570 1.00 0.00 C ATOM 766 O PHE A 52 19.416 -6.452 -7.355 1.00 0.00 O ATOM 767 CB PHE A 52 16.374 -7.437 -6.443 1.00 0.00 C ATOM 768 CG PHE A 52 15.960 -7.777 -5.032 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.879 -7.661 -3.982 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.654 -8.206 -4.773 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.491 -7.974 -2.675 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.265 -8.518 -3.466 1.00 0.00 C ATOM 773 CZ PHE A 52 15.184 -8.402 -2.417 1.00 0.00 C ATOM 0 H PHE A 52 15.282 -5.366 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 52 17.770 -6.038 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.492 -7.298 -7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.944 -8.261 -6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.887 -7.330 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.945 -8.296 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.200 -7.885 -1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.256 -8.848 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.884 -8.643 -1.408 1.00 0.00 H new ATOM 783 N GLN A 53 17.818 -5.935 -8.775 1.00 0.00 N ATOM 784 CA GLN A 53 18.765 -5.946 -9.925 1.00 0.00 C ATOM 785 C GLN A 53 19.851 -4.888 -9.720 1.00 0.00 C ATOM 786 O GLN A 53 21.028 -5.159 -9.842 1.00 0.00 O ATOM 787 CB GLN A 53 17.905 -5.603 -11.141 1.00 0.00 C ATOM 788 CG GLN A 53 18.625 -6.041 -12.418 1.00 0.00 C ATOM 789 CD GLN A 53 17.882 -5.489 -13.636 1.00 0.00 C ATOM 790 OE1 GLN A 53 16.624 -5.158 -13.526 1.00 0.00 O flip ATOM 791 NE2 GLN A 53 18.453 -5.357 -14.701 1.00 0.00 N flip ATOM 0 H GLN A 53 16.851 -5.715 -9.012 1.00 0.00 H new ATOM 0 HA GLN A 53 19.272 -6.904 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.938 -6.101 -11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.710 -4.531 -11.171 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.653 -5.679 -12.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.670 -7.129 -12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.436 -5.615 -14.788 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.949 -4.988 -15.507 1.00 0.00 H new ATOM 800 N ALA A 54 19.460 -3.683 -9.410 1.00 0.00 N ATOM 801 CA ALA A 54 20.467 -2.604 -9.195 1.00 0.00 C ATOM 802 C ALA A 54 21.477 -3.029 -8.125 1.00 0.00 C ATOM 803 O ALA A 54 22.640 -2.686 -8.185 1.00 0.00 O ATOM 804 CB ALA A 54 19.658 -1.396 -8.721 1.00 0.00 C ATOM 0 H ALA A 54 18.487 -3.398 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 54 21.036 -2.384 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.329 -0.557 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.932 -1.122 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.135 -1.648 -7.798 1.00 0.00 H new ATOM 810 N GLU A 55 21.040 -3.774 -7.146 1.00 0.00 N ATOM 811 CA GLU A 55 21.978 -4.219 -6.075 1.00 0.00 C ATOM 812 C GLU A 55 22.977 -5.233 -6.638 1.00 0.00 C ATOM 813 O GLU A 55 24.067 -5.396 -6.124 1.00 0.00 O ATOM 814 CB GLU A 55 21.088 -4.872 -5.016 1.00 0.00 C ATOM 815 CG GLU A 55 20.299 -3.790 -4.277 1.00 0.00 C ATOM 816 CD GLU A 55 19.630 -4.401 -3.043 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.394 -5.597 -3.054 1.00 0.00 O ATOM 818 OE2 GLU A 55 19.366 -3.661 -2.110 1.00 0.00 O ATOM 0 H GLU A 55 20.077 -4.093 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 55 22.560 -3.394 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.404 -5.579 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.698 -5.438 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.964 -2.979 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.546 -3.359 -4.937 1.00 0.00 H new ATOM 825 N GLU A 56 22.616 -5.916 -7.689 1.00 0.00 N ATOM 826 CA GLU A 56 23.547 -6.918 -8.284 1.00 0.00 C ATOM 827 C GLU A 56 24.732 -6.210 -8.947 1.00 0.00 C ATOM 828 O GLU A 56 25.847 -6.694 -8.928 1.00 0.00 O ATOM 829 CB GLU A 56 22.713 -7.660 -9.328 1.00 0.00 C ATOM 830 CG GLU A 56 21.627 -8.477 -8.626 1.00 0.00 C ATOM 831 CD GLU A 56 22.280 -9.496 -7.690 1.00 0.00 C ATOM 832 OE1 GLU A 56 23.451 -9.779 -7.880 1.00 0.00 O ATOM 833 OE2 GLU A 56 21.597 -9.976 -6.800 1.00 0.00 O ATOM 0 H GLU A 56 21.717 -5.824 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 56 23.960 -7.595 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.259 -6.949 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.351 -8.316 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 56 20.969 -7.817 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.008 -8.989 -9.363 1.00 0.00 H new ATOM 840 N GLU A 57 24.501 -5.066 -9.532 1.00 0.00 N ATOM 841 CA GLU A 57 25.616 -4.329 -10.193 1.00 0.00 C ATOM 842 C GLU A 57 26.649 -3.891 -9.152 1.00 0.00 C ATOM 843 O GLU A 57 27.839 -3.903 -9.401 1.00 0.00 O ATOM 844 CB GLU A 57 24.955 -3.111 -10.839 1.00 0.00 C ATOM 845 CG GLU A 57 23.957 -3.576 -11.902 1.00 0.00 C ATOM 846 CD GLU A 57 24.707 -4.305 -13.020 1.00 0.00 C ATOM 847 OE1 GLU A 57 25.915 -4.152 -13.094 1.00 0.00 O ATOM 848 OE2 GLU A 57 24.058 -5.004 -13.782 1.00 0.00 O ATOM 0 H GLU A 57 23.590 -4.610 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 57 26.143 -4.943 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.445 -2.516 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.712 -2.470 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.215 -4.238 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 57 23.417 -2.721 -12.309 1.00 0.00 H new ATOM 855 N GLU A 58 26.205 -3.505 -7.987 1.00 0.00 N ATOM 856 CA GLU A 58 27.164 -3.068 -6.932 1.00 0.00 C ATOM 857 C GLU A 58 28.131 -4.206 -6.595 1.00 0.00 C ATOM 858 O GLU A 58 29.268 -3.980 -6.229 1.00 0.00 O ATOM 859 CB GLU A 58 26.293 -2.728 -5.722 1.00 0.00 C ATOM 860 CG GLU A 58 25.326 -1.602 -6.090 1.00 0.00 C ATOM 861 CD GLU A 58 24.463 -1.253 -4.875 1.00 0.00 C ATOM 862 OE1 GLU A 58 24.515 -1.990 -3.905 1.00 0.00 O ATOM 863 OE2 GLU A 58 23.765 -0.255 -4.937 1.00 0.00 O ATOM 0 H GLU A 58 25.221 -3.473 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 58 27.770 -2.219 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 25.737 -3.609 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 58 26.920 -2.424 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 58 25.882 -0.724 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.693 -1.909 -6.923 1.00 0.00 H new ATOM 870 N LYS A 59 27.689 -5.427 -6.716 1.00 0.00 N ATOM 871 CA LYS A 59 28.585 -6.579 -6.404 1.00 0.00 C ATOM 872 C LYS A 59 29.574 -6.805 -7.549 1.00 0.00 C ATOM 873 O LYS A 59 30.472 -7.619 -7.456 1.00 0.00 O ATOM 874 CB LYS A 59 27.649 -7.779 -6.258 1.00 0.00 C ATOM 875 CG LYS A 59 26.659 -7.519 -5.121 1.00 0.00 C ATOM 876 CD LYS A 59 25.798 -8.765 -4.901 1.00 0.00 C ATOM 877 CE LYS A 59 24.705 -8.454 -3.876 1.00 0.00 C ATOM 878 NZ LYS A 59 24.767 -9.577 -2.899 1.00 0.00 N ATOM 0 H LYS A 59 26.747 -5.678 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 59 29.176 -6.411 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 59 27.111 -7.950 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 59 28.226 -8.681 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.196 -7.269 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.027 -6.665 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.349 -9.081 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.417 -9.591 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.882 -7.495 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.725 -8.395 -4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.046 -9.437 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.589 -10.476 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.710 -9.604 -2.460 1.00 0.00 H new ATOM 892 N LYS A 60 29.418 -6.091 -8.630 1.00 0.00 N ATOM 893 CA LYS A 60 30.352 -6.266 -9.781 1.00 0.00 C ATOM 894 C LYS A 60 31.796 -6.039 -9.328 1.00 0.00 C ATOM 895 O LYS A 60 32.707 -6.717 -9.763 1.00 0.00 O ATOM 896 CB LYS A 60 29.934 -5.202 -10.795 1.00 0.00 C ATOM 897 CG LYS A 60 30.334 -3.819 -10.278 1.00 0.00 C ATOM 898 CD LYS A 60 29.750 -2.742 -11.196 1.00 0.00 C ATOM 899 CE LYS A 60 30.345 -1.382 -10.829 1.00 0.00 C ATOM 900 NZ LYS A 60 29.470 -0.387 -11.510 1.00 0.00 N ATOM 0 H LYS A 60 28.685 -5.395 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 60 30.306 -7.270 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 30.410 -5.394 -11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 60 28.857 -5.243 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 60 29.970 -3.680 -9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 60 31.420 -3.732 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 60 29.970 -2.978 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 28.665 -2.715 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 60 30.350 -1.231 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 60 31.378 -1.298 -11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 29.813 0.574 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 29.490 -0.552 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 28.495 -0.487 -11.163 1.00 0.00 H new ATOM 914 N LYS A 61 32.014 -5.092 -8.458 1.00 0.00 N ATOM 915 CA LYS A 61 33.400 -4.823 -7.979 1.00 0.00 C ATOM 916 C LYS A 61 33.984 -6.078 -7.323 1.00 0.00 C ATOM 917 O LYS A 61 35.165 -6.350 -7.424 1.00 0.00 O ATOM 918 CB LYS A 61 33.255 -3.700 -6.953 1.00 0.00 C ATOM 919 CG LYS A 61 32.765 -2.431 -7.652 1.00 0.00 C ATOM 920 CD LYS A 61 32.717 -1.279 -6.646 1.00 0.00 C ATOM 921 CE LYS A 61 32.140 -0.034 -7.322 1.00 0.00 C ATOM 922 NZ LYS A 61 30.836 0.200 -6.641 1.00 0.00 N ATOM 0 H LYS A 61 31.293 -4.492 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 61 34.072 -4.547 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.552 -3.993 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.212 -3.513 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 61 33.430 -2.179 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 61 31.776 -2.597 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.105 -1.557 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 61 33.718 -1.070 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.805 0.822 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.005 -0.192 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.377 1.039 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.222 -0.629 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.997 0.353 -5.625 1.00 0.00 H new ATOM 936 N LYS A 62 33.168 -6.843 -6.652 1.00 0.00 N ATOM 937 CA LYS A 62 33.677 -8.079 -5.991 1.00 0.00 C ATOM 938 C LYS A 62 33.161 -9.321 -6.723 1.00 0.00 C ATOM 939 O LYS A 62 32.072 -9.326 -7.262 1.00 0.00 O ATOM 940 CB LYS A 62 33.120 -8.025 -4.568 1.00 0.00 C ATOM 941 CG LYS A 62 33.643 -6.771 -3.864 1.00 0.00 C ATOM 942 CD LYS A 62 33.179 -6.775 -2.406 1.00 0.00 C ATOM 943 CE LYS A 62 33.543 -5.440 -1.752 1.00 0.00 C ATOM 944 NZ LYS A 62 34.996 -5.261 -2.034 1.00 0.00 N ATOM 0 H LYS A 62 32.171 -6.666 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 62 34.766 -8.134 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 32.030 -8.014 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 62 33.417 -8.916 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 34.732 -6.742 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 62 33.278 -5.877 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 62 32.102 -6.935 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 62 33.649 -7.597 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 62 32.955 -4.622 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 33.348 -5.459 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 35.420 -4.657 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 35.466 -6.188 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 35.116 -4.812 -2.964 1.00 0.00 H new ATOM 958 N GLU A 63 33.934 -10.372 -6.747 1.00 0.00 N ATOM 959 CA GLU A 63 33.486 -11.611 -7.445 1.00 0.00 C ATOM 960 C GLU A 63 33.180 -12.711 -6.425 1.00 0.00 C ATOM 961 O GLU A 63 33.766 -12.765 -5.361 1.00 0.00 O ATOM 962 CB GLU A 63 34.665 -12.014 -8.332 1.00 0.00 C ATOM 963 CG GLU A 63 34.954 -10.895 -9.335 1.00 0.00 C ATOM 964 CD GLU A 63 36.069 -11.337 -10.285 1.00 0.00 C ATOM 965 OE1 GLU A 63 36.648 -12.382 -10.041 1.00 0.00 O ATOM 966 OE2 GLU A 63 36.325 -10.622 -11.239 1.00 0.00 O ATOM 0 H GLU A 63 34.856 -10.427 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 63 32.576 -11.453 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 63 35.546 -12.205 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 63 34.437 -12.940 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 34.053 -10.657 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 63 35.249 -9.987 -8.808 1.00 0.00 H new ATOM 973 N GLY A 64 32.269 -13.589 -6.742 1.00 0.00 N ATOM 974 CA GLY A 64 31.926 -14.684 -5.790 1.00 0.00 C ATOM 975 C GLY A 64 30.792 -14.225 -4.871 1.00 0.00 C ATOM 976 O GLY A 64 30.284 -13.129 -4.998 1.00 0.00 O ATOM 0 H GLY A 64 31.747 -13.596 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 64 31.625 -15.576 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 64 32.801 -14.954 -5.199 1.00 0.00 H new ATOM 980 N GLU A 65 30.391 -15.055 -3.948 1.00 0.00 N ATOM 981 CA GLU A 65 29.289 -14.666 -3.023 1.00 0.00 C ATOM 982 C GLU A 65 29.842 -14.417 -1.617 1.00 0.00 C ATOM 983 O GLU A 65 30.723 -15.116 -1.153 1.00 0.00 O ATOM 984 CB GLU A 65 28.335 -15.860 -3.020 1.00 0.00 C ATOM 985 CG GLU A 65 26.978 -15.426 -2.459 1.00 0.00 C ATOM 986 CD GLU A 65 26.061 -16.646 -2.342 1.00 0.00 C ATOM 987 OE1 GLU A 65 26.444 -17.699 -2.826 1.00 0.00 O ATOM 988 OE2 GLU A 65 24.994 -16.506 -1.770 1.00 0.00 O ATOM 0 H GLU A 65 30.779 -15.986 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 65 28.792 -13.748 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 65 28.216 -16.247 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 65 28.748 -16.668 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 65 27.108 -14.961 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 65 26.525 -14.678 -3.110 1.00 0.00 H new ATOM 995 N SER A 66 29.333 -13.428 -0.935 1.00 0.00 N ATOM 996 CA SER A 66 29.831 -13.136 0.440 1.00 0.00 C ATOM 997 C SER A 66 29.463 -14.280 1.389 1.00 0.00 C ATOM 998 O SER A 66 30.059 -14.448 2.435 1.00 0.00 O ATOM 999 CB SER A 66 29.120 -11.847 0.853 1.00 0.00 C ATOM 1000 OG SER A 66 29.372 -10.837 -0.113 1.00 0.00 O ATOM 0 H SER A 66 28.594 -12.809 -1.270 1.00 0.00 H new ATOM 0 HA SER A 66 30.915 -13.032 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 66 28.048 -12.022 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 66 29.471 -11.524 1.833 1.00 0.00 H new ATOM 0 HG SER A 66 28.915 -10.011 0.150 1.00 0.00 H new ATOM 1006 N ARG A 67 28.485 -15.067 1.033 1.00 0.00 N ATOM 1007 CA ARG A 67 28.080 -16.199 1.914 1.00 0.00 C ATOM 1008 C ARG A 67 28.372 -17.536 1.226 1.00 0.00 C ATOM 1009 O ARG A 67 28.262 -17.662 0.022 1.00 0.00 O ATOM 1010 CB ARG A 67 26.577 -16.021 2.123 1.00 0.00 C ATOM 1011 CG ARG A 67 26.314 -14.695 2.838 1.00 0.00 C ATOM 1012 CD ARG A 67 24.824 -14.575 3.163 1.00 0.00 C ATOM 1013 NE ARG A 67 24.612 -13.130 3.456 1.00 0.00 N ATOM 1014 CZ ARG A 67 24.798 -12.675 4.665 1.00 0.00 C ATOM 1015 NH1 ARG A 67 25.453 -13.391 5.538 1.00 0.00 N ATOM 1016 NH2 ARG A 67 24.329 -11.506 5.001 1.00 0.00 N ATOM 0 H ARG A 67 27.949 -14.975 0.170 1.00 0.00 H new ATOM 0 HA ARG A 67 28.625 -16.202 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 67 26.061 -16.037 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 67 26.181 -16.848 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 67 26.902 -14.641 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 67 26.628 -13.862 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 67 24.209 -14.903 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 67 24.555 -15.195 4.018 1.00 0.00 H new ATOM 0 HE ARG A 67 24.321 -12.496 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 67 25.819 -14.306 5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 67 25.598 -13.036 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 67 23.817 -10.947 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 67 24.474 -11.151 5.946 1.00 0.00 H new ATOM 1030 N ASN A 68 28.743 -18.534 1.981 1.00 0.00 N ATOM 1031 CA ASN A 68 29.041 -19.860 1.368 1.00 0.00 C ATOM 1032 C ASN A 68 27.862 -20.323 0.509 1.00 0.00 C ATOM 1033 O ASN A 68 26.733 -20.103 0.918 1.00 0.00 O ATOM 1034 CB ASN A 68 29.246 -20.806 2.552 1.00 0.00 C ATOM 1035 CG ASN A 68 29.766 -22.153 2.045 1.00 0.00 C ATOM 1036 OD1 ASN A 68 29.038 -23.125 2.012 1.00 0.00 O ATOM 1037 ND2 ASN A 68 31.004 -22.252 1.645 1.00 0.00 N ATOM 1038 OXT ASN A 68 28.107 -20.890 -0.544 1.00 0.00 O ATOM 0 H ASN A 68 28.853 -18.489 2.994 1.00 0.00 H new ATOM 0 HA ASN A 68 29.914 -19.827 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.954 -20.373 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.307 -20.945 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 68 31.360 -23.145 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.616 -21.436 1.672 1.00 0.00 H new TER 1045 ASN A 68