USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 66 HIS : no HE2:sc= -2.25 K(o=-3.9,f=-6.8!) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.69 K(o=-3.9,f=-5.3) 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 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.089) USER MOD Single : A 22 SER OG : rot 180:sc= -2.67! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 40 SER OG : rot 161:sc= -0.593 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 48 CYS SG : rot -3:sc= 0.0829 USER MOD Single : A 61 THR OG1 : rot -68:sc= 0.914 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 162:sc= -2.65! (180deg=-3.37) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-0.73) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.0624 (180deg=-0.515) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.38) USER MOD Single : A 97 SER OG : rot 165:sc= -1.03 USER MOD Single : A 98 SER OG : rot 39:sc= 0.453 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 7:sc= 0.32 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.675 6.222 2.356 1.00 0.00 N ATOM 2 CA GLY A 1 -31.258 6.889 1.137 1.00 0.00 C ATOM 3 C GLY A 1 -29.802 7.310 1.176 1.00 0.00 C ATOM 4 O GLY A 1 -29.428 8.210 1.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.677 5.954 2.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.098 5.368 2.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.549 6.865 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.418 6.223 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.883 7.767 0.975 1.00 0.00 H new ATOM 8 N SER A 2 -28.977 6.656 0.364 1.00 0.00 N ATOM 9 CA SER A 2 -27.552 6.964 0.313 1.00 0.00 C ATOM 10 C SER A 2 -26.903 6.327 -0.913 1.00 0.00 C ATOM 11 O SER A 2 -27.449 5.396 -1.505 1.00 0.00 O ATOM 12 CB SER A 2 -26.857 6.474 1.584 1.00 0.00 C ATOM 13 OG SER A 2 -26.897 5.060 1.675 1.00 0.00 O ATOM 0 H SER A 2 -29.270 5.910 -0.267 1.00 0.00 H new ATOM 0 HA SER A 2 -27.441 8.046 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.821 6.813 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.340 6.912 2.458 1.00 0.00 H new ATOM 0 HG SER A 2 -26.445 4.772 2.495 1.00 0.00 H new ATOM 19 N SER A 3 -25.734 6.837 -1.287 1.00 0.00 N ATOM 20 CA SER A 3 -25.011 6.323 -2.444 1.00 0.00 C ATOM 21 C SER A 3 -23.604 5.881 -2.053 1.00 0.00 C ATOM 22 O SER A 3 -23.008 6.422 -1.122 1.00 0.00 O ATOM 23 CB SER A 3 -24.938 7.386 -3.541 1.00 0.00 C ATOM 24 OG SER A 3 -24.309 8.565 -3.068 1.00 0.00 O ATOM 0 H SER A 3 -25.267 7.606 -0.806 1.00 0.00 H new ATOM 0 HA SER A 3 -25.553 5.457 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.387 6.994 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.943 7.622 -3.891 1.00 0.00 H new ATOM 0 HG SER A 3 -24.273 9.228 -3.789 1.00 0.00 H new ATOM 30 N GLY A 4 -23.079 4.894 -2.772 1.00 0.00 N ATOM 31 CA GLY A 4 -21.746 4.396 -2.486 1.00 0.00 C ATOM 32 C GLY A 4 -20.688 5.032 -3.365 1.00 0.00 C ATOM 33 O GLY A 4 -20.827 5.069 -4.588 1.00 0.00 O ATOM 0 H GLY A 4 -23.553 4.430 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.507 4.587 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.728 3.315 -2.625 1.00 0.00 H new ATOM 37 N SER A 5 -19.628 5.536 -2.742 1.00 0.00 N ATOM 38 CA SER A 5 -18.544 6.179 -3.476 1.00 0.00 C ATOM 39 C SER A 5 -17.229 5.435 -3.266 1.00 0.00 C ATOM 40 O SER A 5 -16.423 5.304 -4.187 1.00 0.00 O ATOM 41 CB SER A 5 -18.394 7.636 -3.033 1.00 0.00 C ATOM 42 OG SER A 5 -18.220 7.727 -1.629 1.00 0.00 O ATOM 0 H SER A 5 -19.496 5.512 -1.731 1.00 0.00 H new ATOM 0 HA SER A 5 -18.791 6.152 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.540 8.087 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.276 8.203 -3.331 1.00 0.00 H new ATOM 0 HG SER A 5 -17.967 8.643 -1.389 1.00 0.00 H new ATOM 48 N SER A 6 -17.019 4.948 -2.047 1.00 0.00 N ATOM 49 CA SER A 6 -15.801 4.220 -1.713 1.00 0.00 C ATOM 50 C SER A 6 -15.410 3.270 -2.842 1.00 0.00 C ATOM 51 O SER A 6 -16.262 2.795 -3.592 1.00 0.00 O ATOM 52 CB SER A 6 -15.990 3.436 -0.414 1.00 0.00 C ATOM 53 OG SER A 6 -17.020 2.471 -0.545 1.00 0.00 O ATOM 0 H SER A 6 -17.677 5.045 -1.274 1.00 0.00 H new ATOM 0 HA SER A 6 -14.999 4.945 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.057 2.942 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.232 4.123 0.397 1.00 0.00 H new ATOM 0 HG SER A 6 -17.120 1.982 0.299 1.00 0.00 H new ATOM 59 N GLY A 7 -14.114 2.997 -2.955 1.00 0.00 N ATOM 60 CA GLY A 7 -13.631 2.106 -3.993 1.00 0.00 C ATOM 61 C GLY A 7 -12.715 1.026 -3.451 1.00 0.00 C ATOM 62 O GLY A 7 -11.557 1.290 -3.131 1.00 0.00 O ATOM 0 H GLY A 7 -13.390 3.377 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.481 1.640 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.098 2.686 -4.746 1.00 0.00 H new ATOM 66 N ASN A 8 -13.236 -0.192 -3.347 1.00 0.00 N ATOM 67 CA ASN A 8 -12.457 -1.315 -2.837 1.00 0.00 C ATOM 68 C ASN A 8 -11.488 -1.830 -3.897 1.00 0.00 C ATOM 69 O ASN A 8 -11.819 -1.886 -5.082 1.00 0.00 O ATOM 70 CB ASN A 8 -13.385 -2.444 -2.387 1.00 0.00 C ATOM 71 CG ASN A 8 -14.145 -3.064 -3.544 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.254 -2.641 -3.870 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.550 -4.072 -4.170 1.00 0.00 N ATOM 0 H ASN A 8 -14.193 -0.427 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.880 -0.966 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.799 -3.215 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.095 -2.058 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.013 -4.529 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.630 -4.390 -3.865 1.00 0.00 H new ATOM 80 N VAL A 9 -10.289 -2.207 -3.462 1.00 0.00 N ATOM 81 CA VAL A 9 -9.272 -2.719 -4.373 1.00 0.00 C ATOM 82 C VAL A 9 -8.402 -3.769 -3.690 1.00 0.00 C ATOM 83 O VAL A 9 -7.573 -3.445 -2.839 1.00 0.00 O ATOM 84 CB VAL A 9 -8.372 -1.588 -4.903 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.256 -2.154 -5.767 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.196 -0.572 -5.680 1.00 0.00 C ATOM 0 H VAL A 9 -9.999 -2.167 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.798 -3.176 -5.211 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.918 -1.080 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.630 -1.340 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.650 -2.840 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.687 -2.689 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.544 0.221 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.680 -1.064 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.956 -0.143 -5.026 1.00 0.00 H new ATOM 96 N VAL A 10 -8.596 -5.028 -4.069 1.00 0.00 N ATOM 97 CA VAL A 10 -7.828 -6.126 -3.495 1.00 0.00 C ATOM 98 C VAL A 10 -6.926 -6.772 -4.541 1.00 0.00 C ATOM 99 O VAL A 10 -7.382 -7.565 -5.365 1.00 0.00 O ATOM 100 CB VAL A 10 -8.751 -7.203 -2.894 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.969 -8.120 -1.966 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.916 -6.556 -2.160 1.00 0.00 C ATOM 0 H VAL A 10 -9.279 -5.313 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.213 -5.701 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.153 -7.807 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.638 -8.874 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.172 -8.610 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.536 -7.534 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.558 -7.331 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.535 -5.927 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.491 -5.946 -2.856 1.00 0.00 H new ATOM 112 N LEU A 11 -5.644 -6.428 -4.501 1.00 0.00 N ATOM 113 CA LEU A 11 -4.676 -6.974 -5.446 1.00 0.00 C ATOM 114 C LEU A 11 -4.055 -8.259 -4.907 1.00 0.00 C ATOM 115 O LEU A 11 -3.742 -8.377 -3.722 1.00 0.00 O ATOM 116 CB LEU A 11 -3.579 -5.947 -5.735 1.00 0.00 C ATOM 117 CG LEU A 11 -4.047 -4.506 -5.941 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.855 -3.569 -6.059 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.932 -4.404 -7.175 1.00 0.00 C ATOM 0 H LEU A 11 -5.250 -5.774 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.201 -7.206 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.868 -5.962 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.039 -6.264 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.633 -4.207 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.208 -2.548 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.260 -3.620 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.241 -3.866 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.256 -3.372 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.370 -4.722 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.805 -5.045 -7.051 1.00 0.00 H new ATOM 131 N PRO A 12 -3.870 -9.246 -5.797 1.00 0.00 N ATOM 132 CA PRO A 12 -3.283 -10.539 -5.434 1.00 0.00 C ATOM 133 C PRO A 12 -1.799 -10.429 -5.101 1.00 0.00 C ATOM 134 O PRO A 12 -1.018 -9.879 -5.877 1.00 0.00 O ATOM 135 CB PRO A 12 -3.487 -11.387 -6.692 1.00 0.00 C ATOM 136 CG PRO A 12 -3.568 -10.399 -7.805 1.00 0.00 C ATOM 137 CD PRO A 12 -4.220 -9.175 -7.225 1.00 0.00 C ATOM 0 HA PRO A 12 -3.744 -10.959 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.661 -12.082 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.397 -11.983 -6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.576 -10.166 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.151 -10.795 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.843 -8.262 -7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.300 -9.185 -7.375 1.00 0.00 H new ATOM 145 N GLY A 13 -1.416 -10.956 -3.942 1.00 0.00 N ATOM 146 CA GLY A 13 -0.027 -10.906 -3.527 1.00 0.00 C ATOM 147 C GLY A 13 0.558 -12.285 -3.290 1.00 0.00 C ATOM 148 O GLY A 13 0.014 -13.297 -3.733 1.00 0.00 O ATOM 0 H GLY A 13 -2.044 -11.417 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.559 -10.393 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.055 -10.318 -2.613 1.00 0.00 H new ATOM 152 N PRO A 14 1.693 -12.336 -2.578 1.00 0.00 N ATOM 153 CA PRO A 14 2.349 -11.138 -2.046 1.00 0.00 C ATOM 154 C PRO A 14 2.963 -10.277 -3.145 1.00 0.00 C ATOM 155 O PRO A 14 2.778 -10.545 -4.332 1.00 0.00 O ATOM 156 CB PRO A 14 3.443 -11.706 -1.138 1.00 0.00 C ATOM 157 CG PRO A 14 3.729 -13.060 -1.691 1.00 0.00 C ATOM 158 CD PRO A 14 2.424 -13.568 -2.237 1.00 0.00 C ATOM 0 HA PRO A 14 1.646 -10.483 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.333 -11.077 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.108 -11.764 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.486 -13.010 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.113 -13.724 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.574 -14.201 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.885 -14.164 -1.500 1.00 0.00 H new ATOM 166 N ALA A 15 3.694 -9.243 -2.742 1.00 0.00 N ATOM 167 CA ALA A 15 4.337 -8.345 -3.693 1.00 0.00 C ATOM 168 C ALA A 15 5.306 -9.102 -4.594 1.00 0.00 C ATOM 169 O ALA A 15 5.679 -10.244 -4.324 1.00 0.00 O ATOM 170 CB ALA A 15 5.060 -7.227 -2.957 1.00 0.00 C ATOM 0 H ALA A 15 3.856 -9.007 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 15 3.563 -7.908 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.536 -6.564 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.344 -6.661 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.819 -7.654 -2.302 1.00 0.00 H new ATOM 176 N PRO A 16 5.725 -8.454 -5.691 1.00 0.00 N ATOM 177 CA PRO A 16 5.288 -7.094 -6.022 1.00 0.00 C ATOM 178 C PRO A 16 3.820 -7.042 -6.432 1.00 0.00 C ATOM 179 O PRO A 16 3.215 -8.068 -6.740 1.00 0.00 O ATOM 180 CB PRO A 16 6.186 -6.710 -7.200 1.00 0.00 C ATOM 181 CG PRO A 16 6.573 -8.008 -7.821 1.00 0.00 C ATOM 182 CD PRO A 16 6.658 -8.998 -6.692 1.00 0.00 C ATOM 0 HA PRO A 16 5.370 -6.420 -5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.657 -6.074 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.062 -6.155 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.836 -8.322 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.528 -7.923 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.366 -9.998 -7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.672 -9.072 -6.298 1.00 0.00 H new ATOM 190 N TRP A 17 3.255 -5.840 -6.435 1.00 0.00 N ATOM 191 CA TRP A 17 1.857 -5.654 -6.808 1.00 0.00 C ATOM 192 C TRP A 17 1.737 -5.196 -8.257 1.00 0.00 C ATOM 193 O TRP A 17 0.997 -5.785 -9.045 1.00 0.00 O ATOM 194 CB TRP A 17 1.191 -4.635 -5.881 1.00 0.00 C ATOM 195 CG TRP A 17 1.339 -4.970 -4.428 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.098 -4.306 -3.507 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.712 -6.051 -3.729 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.981 -4.909 -2.278 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.135 -5.982 -2.388 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.168 -7.069 -4.106 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.709 -6.893 -1.425 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.589 -7.973 -3.149 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.151 -7.880 -1.821 1.00 0.00 C ATOM 0 H TRP A 17 3.743 -4.980 -6.184 1.00 0.00 H new ATOM 0 HA TRP A 17 1.349 -6.613 -6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.621 -3.651 -6.065 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.131 -4.570 -6.126 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.702 -3.435 -3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.448 -4.607 -1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.513 -7.148 -5.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 1.046 -6.823 -0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.267 -8.765 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.499 -8.601 -1.097 1.00 0.00 H new ATOM 214 N GLY A 18 2.469 -4.141 -8.603 1.00 0.00 N ATOM 215 CA GLY A 18 2.429 -3.623 -9.958 1.00 0.00 C ATOM 216 C GLY A 18 2.052 -2.155 -10.006 1.00 0.00 C ATOM 217 O GLY A 18 2.164 -1.512 -11.050 1.00 0.00 O ATOM 0 H GLY A 18 3.089 -3.636 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.404 -3.760 -10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.712 -4.199 -10.543 1.00 0.00 H new ATOM 221 N PHE A 19 1.603 -1.624 -8.874 1.00 0.00 N ATOM 222 CA PHE A 19 1.205 -0.223 -8.792 1.00 0.00 C ATOM 223 C PHE A 19 2.272 0.604 -8.079 1.00 0.00 C ATOM 224 O PHE A 19 3.097 0.068 -7.340 1.00 0.00 O ATOM 225 CB PHE A 19 -0.132 -0.092 -8.060 1.00 0.00 C ATOM 226 CG PHE A 19 0.004 -0.074 -6.564 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.158 -1.254 -5.854 1.00 0.00 C ATOM 228 CD2 PHE A 19 -0.023 1.124 -5.867 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.282 -1.240 -4.478 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.100 1.144 -4.491 1.00 0.00 C ATOM 231 CZ PHE A 19 0.254 -0.039 -3.795 1.00 0.00 C ATOM 0 H PHE A 19 1.505 -2.142 -8.001 1.00 0.00 H new ATOM 0 HA PHE A 19 1.093 0.157 -9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.626 0.824 -8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.778 -0.921 -8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.181 -2.196 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.142 2.052 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.401 -2.167 -3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.076 2.084 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.352 -0.025 -2.720 1.00 0.00 H new ATOM 241 N ARG A 20 2.247 1.913 -8.308 1.00 0.00 N ATOM 242 CA ARG A 20 3.212 2.814 -7.689 1.00 0.00 C ATOM 243 C ARG A 20 2.526 3.747 -6.696 1.00 0.00 C ATOM 244 O ARG A 20 1.301 3.740 -6.565 1.00 0.00 O ATOM 245 CB ARG A 20 3.934 3.635 -8.760 1.00 0.00 C ATOM 246 CG ARG A 20 4.492 2.795 -9.897 1.00 0.00 C ATOM 247 CD ARG A 20 5.189 1.547 -9.379 1.00 0.00 C ATOM 248 NE ARG A 20 5.615 0.667 -10.464 1.00 0.00 N ATOM 249 CZ ARG A 20 6.615 0.950 -11.290 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.290 2.084 -11.156 1.00 0.00 N ATOM 251 NH2 ARG A 20 6.943 0.099 -12.253 1.00 0.00 N ATOM 0 H ARG A 20 1.570 2.373 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 20 3.941 2.210 -7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.242 4.371 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.749 4.188 -8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.684 2.509 -10.570 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.195 3.390 -10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.056 1.836 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.515 1.005 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 20 5.117 -0.213 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.041 2.741 -10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.058 2.299 -11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.427 -0.774 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.712 0.318 -12.887 1.00 0.00 H new ATOM 265 N LEU A 21 3.322 4.547 -5.996 1.00 0.00 N ATOM 266 CA LEU A 21 2.792 5.486 -5.013 1.00 0.00 C ATOM 267 C LEU A 21 3.501 6.833 -5.108 1.00 0.00 C ATOM 268 O LEU A 21 4.701 6.896 -5.378 1.00 0.00 O ATOM 269 CB LEU A 21 2.943 4.916 -3.602 1.00 0.00 C ATOM 270 CG LEU A 21 4.249 4.174 -3.314 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.444 5.012 -3.740 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.345 3.816 -1.838 1.00 0.00 C ATOM 0 H LEU A 21 4.337 4.565 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 21 1.734 5.638 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.849 5.735 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.113 4.235 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 21 4.255 3.250 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.364 4.468 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.382 5.217 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.443 5.953 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.281 3.289 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.317 4.727 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.507 3.176 -1.564 1.00 0.00 H new ATOM 284 N SER A 22 2.752 7.907 -4.883 1.00 0.00 N ATOM 285 CA SER A 22 3.309 9.254 -4.946 1.00 0.00 C ATOM 286 C SER A 22 2.517 10.210 -4.059 1.00 0.00 C ATOM 287 O SER A 22 1.289 10.252 -4.113 1.00 0.00 O ATOM 288 CB SER A 22 3.310 9.762 -6.389 1.00 0.00 C ATOM 289 OG SER A 22 4.493 9.374 -7.065 1.00 0.00 O ATOM 0 H SER A 22 1.758 7.872 -4.656 1.00 0.00 H new ATOM 0 HA SER A 22 4.336 9.214 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.441 9.370 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.223 10.849 -6.395 1.00 0.00 H new ATOM 0 HG SER A 22 4.469 9.709 -7.986 1.00 0.00 H new ATOM 295 N GLY A 23 3.232 10.978 -3.241 1.00 0.00 N ATOM 296 CA GLY A 23 2.581 11.924 -2.354 1.00 0.00 C ATOM 297 C GLY A 23 3.062 11.801 -0.922 1.00 0.00 C ATOM 298 O GLY A 23 4.234 11.517 -0.675 1.00 0.00 O ATOM 0 H GLY A 23 4.250 10.961 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.765 12.938 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.503 11.766 -2.387 1.00 0.00 H new ATOM 302 N GLY A 24 2.155 12.016 0.027 1.00 0.00 N ATOM 303 CA GLY A 24 2.514 11.925 1.430 1.00 0.00 C ATOM 304 C GLY A 24 1.990 13.095 2.239 1.00 0.00 C ATOM 305 O GLY A 24 2.280 14.251 1.929 1.00 0.00 O ATOM 0 H GLY A 24 1.179 12.251 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.121 10.996 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.599 11.880 1.522 1.00 0.00 H new ATOM 309 N ILE A 25 1.217 12.796 3.277 1.00 0.00 N ATOM 310 CA ILE A 25 0.652 13.832 4.132 1.00 0.00 C ATOM 311 C ILE A 25 1.715 14.845 4.545 1.00 0.00 C ATOM 312 O ILE A 25 1.413 16.012 4.791 1.00 0.00 O ATOM 313 CB ILE A 25 0.013 13.231 5.398 1.00 0.00 C ATOM 314 CG1 ILE A 25 1.060 12.467 6.211 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.146 12.319 5.024 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.589 12.086 7.597 1.00 0.00 C ATOM 0 H ILE A 25 0.968 11.844 3.546 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.119 14.335 3.549 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.374 14.043 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.340 11.563 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.959 13.078 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.587 11.902 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.900 12.892 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.782 11.509 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.382 11.547 8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.337 12.987 8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.292 11.449 7.520 1.00 0.00 H new ATOM 328 N ASP A 26 2.961 14.390 4.616 1.00 0.00 N ATOM 329 CA ASP A 26 4.071 15.256 4.996 1.00 0.00 C ATOM 330 C ASP A 26 4.418 16.221 3.867 1.00 0.00 C ATOM 331 O ASP A 26 4.816 17.360 4.110 1.00 0.00 O ATOM 332 CB ASP A 26 5.297 14.419 5.363 1.00 0.00 C ATOM 333 CG ASP A 26 5.989 13.840 4.145 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.293 13.252 3.290 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.226 13.976 4.046 1.00 0.00 O ATOM 0 H ASP A 26 3.228 13.426 4.415 1.00 0.00 H new ATOM 0 HA ASP A 26 3.765 15.837 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.002 15.037 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.994 13.608 6.025 1.00 0.00 H new ATOM 340 N PHE A 27 4.266 15.756 2.631 1.00 0.00 N ATOM 341 CA PHE A 27 4.566 16.577 1.463 1.00 0.00 C ATOM 342 C PHE A 27 3.360 17.426 1.072 1.00 0.00 C ATOM 343 O PHE A 27 3.350 18.060 0.017 1.00 0.00 O ATOM 344 CB PHE A 27 4.986 15.694 0.287 1.00 0.00 C ATOM 345 CG PHE A 27 6.240 14.909 0.544 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.463 15.551 0.660 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.197 13.530 0.669 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.619 14.831 0.896 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.350 12.805 0.906 1.00 0.00 C ATOM 350 CZ PHE A 27 8.562 13.456 1.020 1.00 0.00 C ATOM 0 H PHE A 27 3.937 14.816 2.412 1.00 0.00 H new ATOM 0 HA PHE A 27 5.390 17.243 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.176 15.003 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.133 16.320 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.513 16.626 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.252 13.015 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.566 15.343 0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.303 11.730 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.464 12.892 1.206 1.00 0.00 H new ATOM 360 N ASN A 28 2.345 17.433 1.929 1.00 0.00 N ATOM 361 CA ASN A 28 1.133 18.203 1.673 1.00 0.00 C ATOM 362 C ASN A 28 0.439 17.719 0.404 1.00 0.00 C ATOM 363 O ASN A 28 -0.157 18.508 -0.328 1.00 0.00 O ATOM 364 CB ASN A 28 1.466 19.691 1.551 1.00 0.00 C ATOM 365 CG ASN A 28 2.138 20.238 2.795 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.525 20.321 3.860 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.405 20.614 2.667 1.00 0.00 N ATOM 0 H ASN A 28 2.337 16.914 2.807 1.00 0.00 H new ATOM 0 HA ASN A 28 0.455 18.057 2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.119 19.845 0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.550 20.251 1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.909 20.989 3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.874 20.528 1.765 1.00 0.00 H new ATOM 374 N GLN A 29 0.522 16.417 0.150 1.00 0.00 N ATOM 375 CA GLN A 29 -0.098 15.828 -1.031 1.00 0.00 C ATOM 376 C GLN A 29 -0.617 14.425 -0.732 1.00 0.00 C ATOM 377 O GLN A 29 0.024 13.635 -0.039 1.00 0.00 O ATOM 378 CB GLN A 29 0.902 15.779 -2.187 1.00 0.00 C ATOM 379 CG GLN A 29 1.089 17.116 -2.887 1.00 0.00 C ATOM 380 CD GLN A 29 2.252 17.108 -3.859 1.00 0.00 C ATOM 381 OE1 GLN A 29 3.396 17.359 -3.479 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.966 16.818 -5.123 1.00 0.00 N ATOM 0 H GLN A 29 1.012 15.750 0.746 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.943 16.454 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.866 15.439 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.567 15.041 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.175 17.373 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.250 17.893 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.004 16.616 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.709 16.797 -5.822 1.00 0.00 H new ATOM 391 N PRO A 30 -1.805 14.107 -1.266 1.00 0.00 N ATOM 392 CA PRO A 30 -2.436 12.798 -1.069 1.00 0.00 C ATOM 393 C PRO A 30 -1.698 11.683 -1.802 1.00 0.00 C ATOM 394 O PRO A 30 -1.160 11.892 -2.890 1.00 0.00 O ATOM 395 CB PRO A 30 -3.837 12.988 -1.656 1.00 0.00 C ATOM 396 CG PRO A 30 -3.685 14.086 -2.652 1.00 0.00 C ATOM 397 CD PRO A 30 -2.625 15.000 -2.102 1.00 0.00 C ATOM 0 HA PRO A 30 -2.435 12.498 -0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.196 12.073 -2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.558 13.252 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.394 13.692 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.626 14.619 -2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.037 15.458 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.058 15.812 -1.518 1.00 0.00 H new ATOM 405 N LEU A 31 -1.677 10.499 -1.201 1.00 0.00 N ATOM 406 CA LEU A 31 -1.005 9.350 -1.797 1.00 0.00 C ATOM 407 C LEU A 31 -1.765 8.849 -3.021 1.00 0.00 C ATOM 408 O LEU A 31 -2.816 8.220 -2.897 1.00 0.00 O ATOM 409 CB LEU A 31 -0.870 8.224 -0.770 1.00 0.00 C ATOM 410 CG LEU A 31 -0.115 8.573 0.513 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.630 7.742 1.678 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.380 8.363 0.326 1.00 0.00 C ATOM 0 H LEU A 31 -2.118 10.309 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.011 9.666 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.870 7.885 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.367 7.383 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.288 9.625 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.081 8.004 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.691 7.942 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.487 6.683 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.901 8.616 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.572 7.320 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.739 9.002 -0.481 1.00 0.00 H new ATOM 424 N VAL A 32 -1.226 9.130 -4.202 1.00 0.00 N ATOM 425 CA VAL A 32 -1.851 8.706 -5.449 1.00 0.00 C ATOM 426 C VAL A 32 -0.872 7.923 -6.316 1.00 0.00 C ATOM 427 O VAL A 32 0.305 8.272 -6.410 1.00 0.00 O ATOM 428 CB VAL A 32 -2.380 9.910 -6.250 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.560 10.550 -5.535 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.271 10.925 -6.480 1.00 0.00 C ATOM 0 H VAL A 32 -0.357 9.650 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.689 8.062 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.724 9.555 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.920 11.399 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.361 9.818 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.246 10.892 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.662 11.769 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.895 11.277 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.460 10.457 -7.038 1.00 0.00 H new ATOM 440 N ILE A 33 -1.366 6.864 -6.949 1.00 0.00 N ATOM 441 CA ILE A 33 -0.534 6.033 -7.810 1.00 0.00 C ATOM 442 C ILE A 33 0.218 6.879 -8.831 1.00 0.00 C ATOM 443 O ILE A 33 -0.336 7.816 -9.408 1.00 0.00 O ATOM 444 CB ILE A 33 -1.374 4.977 -8.554 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.119 4.090 -7.555 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.485 4.135 -9.457 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.190 3.232 -8.191 1.00 0.00 C ATOM 0 H ILE A 33 -2.338 6.562 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 33 0.183 5.527 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.109 5.490 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.401 3.445 -7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.575 4.720 -6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.092 3.393 -9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.005 4.779 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.270 3.629 -8.855 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.677 2.630 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.929 3.871 -8.674 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.737 2.576 -8.934 1.00 0.00 H new ATOM 459 N THR A 34 1.485 6.543 -9.053 1.00 0.00 N ATOM 460 CA THR A 34 2.314 7.271 -10.005 1.00 0.00 C ATOM 461 C THR A 34 2.255 6.630 -11.387 1.00 0.00 C ATOM 462 O THR A 34 2.344 7.318 -12.404 1.00 0.00 O ATOM 463 CB THR A 34 3.782 7.330 -9.541 1.00 0.00 C ATOM 464 OG1 THR A 34 4.574 6.413 -10.303 1.00 0.00 O ATOM 465 CG2 THR A 34 3.895 6.998 -8.061 1.00 0.00 C ATOM 0 H THR A 34 1.959 5.770 -8.586 1.00 0.00 H new ATOM 0 HA THR A 34 1.917 8.285 -10.060 1.00 0.00 H new ATOM 0 HB THR A 34 4.150 8.344 -9.699 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.506 6.458 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.940 7.046 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.315 7.716 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.511 5.994 -7.883 1.00 0.00 H new ATOM 473 N ARG A 35 2.105 5.310 -11.417 1.00 0.00 N ATOM 474 CA ARG A 35 2.034 4.578 -12.675 1.00 0.00 C ATOM 475 C ARG A 35 1.498 3.166 -12.453 1.00 0.00 C ATOM 476 O ARG A 35 1.655 2.595 -11.374 1.00 0.00 O ATOM 477 CB ARG A 35 3.416 4.513 -13.330 1.00 0.00 C ATOM 478 CG ARG A 35 3.367 4.360 -14.841 1.00 0.00 C ATOM 479 CD ARG A 35 4.691 4.744 -15.483 1.00 0.00 C ATOM 480 NE ARG A 35 4.648 4.625 -16.938 1.00 0.00 N ATOM 481 CZ ARG A 35 5.733 4.556 -17.702 1.00 0.00 C ATOM 482 NH1 ARG A 35 6.938 4.592 -17.152 1.00 0.00 N ATOM 483 NH2 ARG A 35 5.613 4.449 -19.019 1.00 0.00 N ATOM 0 H ARG A 35 2.030 4.726 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 35 1.350 5.108 -13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.969 5.419 -13.083 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.971 3.676 -12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.124 3.329 -15.096 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.571 4.985 -15.245 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.942 5.769 -15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.483 4.106 -15.090 1.00 0.00 H new ATOM 0 HE ARG A 35 3.735 4.593 -17.392 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.034 4.673 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.769 4.539 -17.741 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.687 4.420 -19.446 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.447 4.396 -19.604 1.00 0.00 H new ATOM 497 N ILE A 36 0.865 2.611 -13.481 1.00 0.00 N ATOM 498 CA ILE A 36 0.307 1.267 -13.399 1.00 0.00 C ATOM 499 C ILE A 36 0.896 0.360 -14.473 1.00 0.00 C ATOM 500 O ILE A 36 1.091 0.777 -15.616 1.00 0.00 O ATOM 501 CB ILE A 36 -1.227 1.285 -13.541 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.860 2.046 -12.375 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.768 -0.134 -13.612 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.423 1.543 -11.017 1.00 0.00 C ATOM 0 H ILE A 36 0.726 3.071 -14.380 1.00 0.00 H new ATOM 0 HA ILE A 36 0.568 0.876 -12.415 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.486 1.798 -14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.606 3.103 -12.461 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.945 1.971 -12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.853 -0.105 -13.712 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.338 -0.645 -14.473 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.502 -0.671 -12.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.911 2.128 -10.238 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.701 0.494 -10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.342 1.643 -10.923 1.00 0.00 H new ATOM 516 N THR A 37 1.176 -0.885 -14.101 1.00 0.00 N ATOM 517 CA THR A 37 1.741 -1.853 -15.033 1.00 0.00 C ATOM 518 C THR A 37 0.692 -2.337 -16.027 1.00 0.00 C ATOM 519 O THR A 37 -0.274 -3.011 -15.668 1.00 0.00 O ATOM 520 CB THR A 37 2.330 -3.068 -14.292 1.00 0.00 C ATOM 521 OG1 THR A 37 3.173 -2.628 -13.221 1.00 0.00 O ATOM 522 CG2 THR A 37 3.127 -3.947 -15.243 1.00 0.00 C ATOM 0 H THR A 37 1.021 -1.247 -13.160 1.00 0.00 H new ATOM 0 HA THR A 37 2.540 -1.344 -15.572 1.00 0.00 H new ATOM 0 HB THR A 37 1.505 -3.653 -13.887 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.622 -2.406 -12.441 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.533 -4.799 -14.697 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.475 -4.304 -16.040 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.944 -3.369 -15.674 1.00 0.00 H new ATOM 530 N PRO A 38 0.884 -1.988 -17.308 1.00 0.00 N ATOM 531 CA PRO A 38 -0.036 -2.378 -18.381 1.00 0.00 C ATOM 532 C PRO A 38 0.021 -3.873 -18.677 1.00 0.00 C ATOM 533 O PRO A 38 0.885 -4.336 -19.420 1.00 0.00 O ATOM 534 CB PRO A 38 0.463 -1.575 -19.585 1.00 0.00 C ATOM 535 CG PRO A 38 1.903 -1.322 -19.301 1.00 0.00 C ATOM 536 CD PRO A 38 2.014 -1.186 -17.807 1.00 0.00 C ATOM 0 HA PRO A 38 -1.075 -2.179 -18.120 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.334 -2.132 -20.513 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.089 -0.641 -19.694 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.522 -2.142 -19.665 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.246 -0.417 -19.802 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.968 -1.563 -17.439 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.939 -0.145 -17.491 1.00 0.00 H new ATOM 544 N GLY A 39 -0.908 -4.623 -18.092 1.00 0.00 N ATOM 545 CA GLY A 39 -0.946 -6.058 -18.306 1.00 0.00 C ATOM 546 C GLY A 39 -0.343 -6.833 -17.152 1.00 0.00 C ATOM 547 O GLY A 39 0.626 -7.571 -17.329 1.00 0.00 O ATOM 0 H GLY A 39 -1.635 -4.263 -17.474 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.979 -6.373 -18.451 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.408 -6.300 -19.222 1.00 0.00 H new ATOM 551 N SER A 40 -0.917 -6.665 -15.964 1.00 0.00 N ATOM 552 CA SER A 40 -0.426 -7.351 -14.774 1.00 0.00 C ATOM 553 C SER A 40 -1.442 -7.263 -13.639 1.00 0.00 C ATOM 554 O SER A 40 -2.507 -6.663 -13.788 1.00 0.00 O ATOM 555 CB SER A 40 0.908 -6.750 -14.328 1.00 0.00 C ATOM 556 OG SER A 40 0.708 -5.692 -13.406 1.00 0.00 O ATOM 0 H SER A 40 -1.722 -6.060 -15.800 1.00 0.00 H new ATOM 0 HA SER A 40 -0.277 -8.401 -15.025 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.524 -7.524 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.453 -6.381 -15.197 1.00 0.00 H new ATOM 0 HG SER A 40 1.538 -5.529 -12.911 1.00 0.00 H new ATOM 562 N LYS A 41 -1.104 -7.865 -12.504 1.00 0.00 N ATOM 563 CA LYS A 41 -1.984 -7.855 -11.341 1.00 0.00 C ATOM 564 C LYS A 41 -2.406 -6.432 -10.990 1.00 0.00 C ATOM 565 O LYS A 41 -3.436 -6.220 -10.351 1.00 0.00 O ATOM 566 CB LYS A 41 -1.287 -8.503 -10.143 1.00 0.00 C ATOM 567 CG LYS A 41 -0.907 -9.955 -10.372 1.00 0.00 C ATOM 568 CD LYS A 41 -0.088 -10.507 -9.217 1.00 0.00 C ATOM 569 CE LYS A 41 -0.266 -12.010 -9.074 1.00 0.00 C ATOM 570 NZ LYS A 41 0.315 -12.520 -7.802 1.00 0.00 N ATOM 0 H LYS A 41 -0.227 -8.366 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.877 -8.429 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.388 -7.934 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.943 -8.441 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.810 -10.553 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.337 -10.041 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.966 -10.278 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.386 -10.015 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.327 -12.255 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.208 -12.513 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.173 -13.549 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.333 -12.309 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.154 -12.059 -6.997 1.00 0.00 H new ATOM 584 N ALA A 42 -1.603 -5.461 -11.412 1.00 0.00 N ATOM 585 CA ALA A 42 -1.895 -4.058 -11.145 1.00 0.00 C ATOM 586 C ALA A 42 -2.999 -3.543 -12.062 1.00 0.00 C ATOM 587 O ALA A 42 -4.129 -3.324 -11.626 1.00 0.00 O ATOM 588 CB ALA A 42 -0.638 -3.217 -11.305 1.00 0.00 C ATOM 0 H ALA A 42 -0.745 -5.620 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.245 -3.975 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.871 -2.172 -11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.122 -3.562 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.262 -3.314 -12.324 1.00 0.00 H new ATOM 594 N ALA A 43 -2.664 -3.351 -13.334 1.00 0.00 N ATOM 595 CA ALA A 43 -3.628 -2.862 -14.312 1.00 0.00 C ATOM 596 C ALA A 43 -4.851 -3.770 -14.378 1.00 0.00 C ATOM 597 O ALA A 43 -5.987 -3.296 -14.381 1.00 0.00 O ATOM 598 CB ALA A 43 -2.977 -2.750 -15.683 1.00 0.00 C ATOM 0 H ALA A 43 -1.733 -3.527 -13.711 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.959 -1.873 -13.997 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.708 -2.384 -16.404 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.138 -2.056 -15.632 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.618 -3.730 -15.996 1.00 0.00 H new ATOM 604 N ALA A 44 -4.611 -5.076 -14.431 1.00 0.00 N ATOM 605 CA ALA A 44 -5.694 -6.049 -14.496 1.00 0.00 C ATOM 606 C ALA A 44 -6.675 -5.857 -13.343 1.00 0.00 C ATOM 607 O ALA A 44 -7.792 -6.372 -13.374 1.00 0.00 O ATOM 608 CB ALA A 44 -5.134 -7.464 -14.484 1.00 0.00 C ATOM 0 H ALA A 44 -3.676 -5.484 -14.430 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.235 -5.892 -15.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.954 -8.180 -14.533 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.479 -7.603 -15.344 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.567 -7.623 -13.567 1.00 0.00 H new ATOM 614 N ALA A 45 -6.248 -5.114 -12.328 1.00 0.00 N ATOM 615 CA ALA A 45 -7.089 -4.853 -11.166 1.00 0.00 C ATOM 616 C ALA A 45 -7.805 -3.513 -11.296 1.00 0.00 C ATOM 617 O ALA A 45 -8.300 -2.965 -10.312 1.00 0.00 O ATOM 618 CB ALA A 45 -6.256 -4.887 -9.893 1.00 0.00 C ATOM 0 H ALA A 45 -5.325 -4.682 -12.286 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.846 -5.636 -11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.897 -4.690 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.796 -5.869 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.478 -4.126 -9.947 1.00 0.00 H new ATOM 624 N ASN A 46 -7.857 -2.991 -12.518 1.00 0.00 N ATOM 625 CA ASN A 46 -8.512 -1.714 -12.776 1.00 0.00 C ATOM 626 C ASN A 46 -7.755 -0.570 -12.109 1.00 0.00 C ATOM 627 O ASN A 46 -8.340 0.457 -11.761 1.00 0.00 O ATOM 628 CB ASN A 46 -9.956 -1.747 -12.273 1.00 0.00 C ATOM 629 CG ASN A 46 -10.868 -0.838 -13.073 1.00 0.00 C ATOM 630 OD1 ASN A 46 -11.351 0.176 -12.568 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.109 -1.197 -14.329 1.00 0.00 N ATOM 0 H ASN A 46 -7.454 -3.433 -13.344 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.514 -1.546 -13.853 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.332 -2.769 -12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.980 -1.449 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.715 -0.624 -14.916 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.688 -2.046 -14.707 1.00 0.00 H new ATOM 638 N LEU A 47 -6.451 -0.753 -11.933 1.00 0.00 N ATOM 639 CA LEU A 47 -5.613 0.264 -11.308 1.00 0.00 C ATOM 640 C LEU A 47 -5.194 1.323 -12.322 1.00 0.00 C ATOM 641 O LEU A 47 -4.935 1.014 -13.486 1.00 0.00 O ATOM 642 CB LEU A 47 -4.373 -0.381 -10.685 1.00 0.00 C ATOM 643 CG LEU A 47 -4.632 -1.380 -9.557 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.323 -1.979 -9.064 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.379 -0.712 -8.413 1.00 0.00 C ATOM 0 H LEU A 47 -5.951 -1.596 -12.214 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.196 0.748 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.817 -0.889 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.730 0.411 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.253 -2.186 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.527 -2.688 -8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.826 -2.495 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.677 -1.184 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.554 -1.439 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.784 0.114 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.334 -0.332 -8.775 1.00 0.00 H new ATOM 657 N CYS A 48 -5.128 2.571 -11.873 1.00 0.00 N ATOM 658 CA CYS A 48 -4.739 3.677 -12.741 1.00 0.00 C ATOM 659 C CYS A 48 -4.123 4.813 -11.931 1.00 0.00 C ATOM 660 O CYS A 48 -4.483 5.054 -10.779 1.00 0.00 O ATOM 661 CB CYS A 48 -5.949 4.189 -13.523 1.00 0.00 C ATOM 662 SG CYS A 48 -6.716 2.949 -14.592 1.00 0.00 S ATOM 0 H CYS A 48 -5.339 2.843 -10.913 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.991 3.309 -13.444 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.695 4.556 -12.818 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.641 5.038 -14.133 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.030 1.846 -14.539 1.00 0.00 H new ATOM 668 N PRO A 49 -3.170 5.530 -12.546 1.00 0.00 N ATOM 669 CA PRO A 49 -2.483 6.652 -11.901 1.00 0.00 C ATOM 670 C PRO A 49 -3.397 7.856 -11.703 1.00 0.00 C ATOM 671 O PRO A 49 -3.692 8.586 -12.649 1.00 0.00 O ATOM 672 CB PRO A 49 -1.357 6.991 -12.882 1.00 0.00 C ATOM 673 CG PRO A 49 -1.852 6.514 -14.204 1.00 0.00 C ATOM 674 CD PRO A 49 -2.691 5.299 -13.920 1.00 0.00 C ATOM 0 HA PRO A 49 -2.133 6.394 -10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.154 8.062 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.427 6.495 -12.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.439 7.286 -14.702 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.022 6.268 -14.866 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.518 5.208 -14.624 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.107 4.381 -13.993 1.00 0.00 H new ATOM 682 N GLY A 50 -3.844 8.058 -10.467 1.00 0.00 N ATOM 683 CA GLY A 50 -4.721 9.175 -10.169 1.00 0.00 C ATOM 684 C GLY A 50 -5.615 8.907 -8.974 1.00 0.00 C ATOM 685 O GLY A 50 -6.178 9.834 -8.391 1.00 0.00 O ATOM 0 H GLY A 50 -3.614 7.468 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.120 10.064 -9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.339 9.390 -11.041 1.00 0.00 H new ATOM 689 N ASP A 51 -5.748 7.636 -8.610 1.00 0.00 N ATOM 690 CA ASP A 51 -6.581 7.249 -7.478 1.00 0.00 C ATOM 691 C ASP A 51 -5.925 7.647 -6.159 1.00 0.00 C ATOM 692 O ASP A 51 -4.711 7.521 -5.995 1.00 0.00 O ATOM 693 CB ASP A 51 -6.839 5.741 -7.499 1.00 0.00 C ATOM 694 CG ASP A 51 -8.060 5.374 -8.319 1.00 0.00 C ATOM 695 OD1 ASP A 51 -9.075 6.096 -8.226 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.001 4.365 -9.052 1.00 0.00 O ATOM 0 H ASP A 51 -5.290 6.857 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.533 7.774 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.965 5.232 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.970 5.383 -6.478 1.00 0.00 H new ATOM 701 N VAL A 52 -6.735 8.128 -5.222 1.00 0.00 N ATOM 702 CA VAL A 52 -6.234 8.545 -3.918 1.00 0.00 C ATOM 703 C VAL A 52 -6.390 7.432 -2.888 1.00 0.00 C ATOM 704 O VAL A 52 -7.487 6.912 -2.682 1.00 0.00 O ATOM 705 CB VAL A 52 -6.964 9.803 -3.412 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.442 10.209 -2.042 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.813 10.943 -4.408 1.00 0.00 C ATOM 0 H VAL A 52 -7.742 8.239 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.176 8.774 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.025 9.572 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.970 11.100 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.607 9.396 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.375 10.422 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.335 11.824 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.756 11.175 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.240 10.648 -5.367 1.00 0.00 H new ATOM 717 N ILE A 53 -5.285 7.071 -2.244 1.00 0.00 N ATOM 718 CA ILE A 53 -5.300 6.020 -1.234 1.00 0.00 C ATOM 719 C ILE A 53 -5.902 6.523 0.074 1.00 0.00 C ATOM 720 O ILE A 53 -5.283 7.307 0.794 1.00 0.00 O ATOM 721 CB ILE A 53 -3.883 5.482 -0.960 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.189 5.119 -2.275 1.00 0.00 C ATOM 723 CG2 ILE A 53 -3.943 4.276 -0.036 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.519 3.726 -2.767 1.00 0.00 C ATOM 0 H ILE A 53 -4.369 7.490 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.917 5.212 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.303 6.263 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.474 5.843 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.110 5.203 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.934 3.908 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.402 4.565 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.537 3.490 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.993 3.536 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.209 2.994 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.593 3.643 -2.932 1.00 0.00 H new ATOM 736 N LEU A 54 -7.111 6.065 0.377 1.00 0.00 N ATOM 737 CA LEU A 54 -7.797 6.466 1.600 1.00 0.00 C ATOM 738 C LEU A 54 -7.195 5.769 2.816 1.00 0.00 C ATOM 739 O LEU A 54 -6.802 6.419 3.785 1.00 0.00 O ATOM 740 CB LEU A 54 -9.289 6.144 1.500 1.00 0.00 C ATOM 741 CG LEU A 54 -10.133 7.118 0.677 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.519 6.545 0.426 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.230 8.465 1.378 1.00 0.00 C ATOM 0 H LEU A 54 -7.637 5.415 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.671 7.542 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.397 5.148 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.699 6.102 2.509 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.644 7.266 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.104 7.253 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.431 5.606 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.016 6.365 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.834 9.145 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.694 8.334 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.231 8.882 1.504 1.00 0.00 H new ATOM 755 N ALA A 55 -7.124 4.443 2.757 1.00 0.00 N ATOM 756 CA ALA A 55 -6.566 3.659 3.851 1.00 0.00 C ATOM 757 C ALA A 55 -5.785 2.460 3.324 1.00 0.00 C ATOM 758 O ALA A 55 -5.955 2.054 2.174 1.00 0.00 O ATOM 759 CB ALA A 55 -7.673 3.200 4.789 1.00 0.00 C ATOM 0 H ALA A 55 -7.446 3.890 1.963 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.875 4.294 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.242 2.615 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.186 4.070 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.385 2.586 4.238 1.00 0.00 H new ATOM 765 N ILE A 56 -4.930 1.898 4.171 1.00 0.00 N ATOM 766 CA ILE A 56 -4.123 0.745 3.790 1.00 0.00 C ATOM 767 C ILE A 56 -4.496 -0.483 4.613 1.00 0.00 C ATOM 768 O ILE A 56 -4.409 -0.470 5.841 1.00 0.00 O ATOM 769 CB ILE A 56 -2.619 1.028 3.963 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.165 2.106 2.977 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.815 -0.248 3.768 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.783 2.648 3.269 1.00 0.00 C ATOM 0 H ILE A 56 -4.778 2.222 5.126 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.329 0.550 2.737 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.446 1.392 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.179 1.693 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.880 2.928 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.754 -0.032 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.124 -0.989 4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.990 -0.639 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.527 3.408 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.769 3.091 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.057 1.837 3.222 1.00 0.00 H new ATOM 784 N ASP A 57 -4.910 -1.544 3.929 1.00 0.00 N ATOM 785 CA ASP A 57 -5.293 -2.782 4.597 1.00 0.00 C ATOM 786 C ASP A 57 -5.992 -2.492 5.922 1.00 0.00 C ATOM 787 O ASP A 57 -5.855 -3.244 6.885 1.00 0.00 O ATOM 788 CB ASP A 57 -4.064 -3.660 4.836 1.00 0.00 C ATOM 789 CG ASP A 57 -2.801 -2.845 5.036 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.701 -2.148 6.068 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.912 -2.904 4.161 1.00 0.00 O ATOM 0 H ASP A 57 -4.989 -1.571 2.912 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.989 -3.314 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.232 -4.285 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.930 -4.331 3.987 1.00 0.00 H new ATOM 796 N GLY A 58 -6.741 -1.394 5.962 1.00 0.00 N ATOM 797 CA GLY A 58 -7.449 -1.023 7.173 1.00 0.00 C ATOM 798 C GLY A 58 -6.627 -0.120 8.071 1.00 0.00 C ATOM 799 O GLY A 58 -6.664 -0.249 9.295 1.00 0.00 O ATOM 0 H GLY A 58 -6.870 -0.755 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.378 -0.518 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.722 -1.925 7.721 1.00 0.00 H new ATOM 803 N PHE A 59 -5.881 0.797 7.463 1.00 0.00 N ATOM 804 CA PHE A 59 -5.043 1.723 8.216 1.00 0.00 C ATOM 805 C PHE A 59 -5.076 3.115 7.592 1.00 0.00 C ATOM 806 O PHE A 59 -4.478 3.352 6.543 1.00 0.00 O ATOM 807 CB PHE A 59 -3.603 1.211 8.273 1.00 0.00 C ATOM 808 CG PHE A 59 -3.394 0.118 9.282 1.00 0.00 C ATOM 809 CD1 PHE A 59 -3.674 -1.201 8.963 1.00 0.00 C ATOM 810 CD2 PHE A 59 -2.920 0.410 10.551 1.00 0.00 C ATOM 811 CE1 PHE A 59 -3.483 -2.209 9.889 1.00 0.00 C ATOM 812 CE2 PHE A 59 -2.727 -0.593 11.481 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.010 -1.904 11.150 1.00 0.00 C ATOM 0 H PHE A 59 -5.840 0.919 6.451 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.437 1.789 9.230 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.317 0.844 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.939 2.043 8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.046 -1.444 7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.699 1.433 10.816 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.703 -3.233 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.355 -0.352 12.466 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.862 -2.689 11.876 1.00 0.00 H new ATOM 823 N GLY A 60 -5.780 4.034 8.246 1.00 0.00 N ATOM 824 CA GLY A 60 -5.879 5.391 7.741 1.00 0.00 C ATOM 825 C GLY A 60 -4.537 5.949 7.310 1.00 0.00 C ATOM 826 O GLY A 60 -3.579 5.951 8.085 1.00 0.00 O ATOM 0 H GLY A 60 -6.283 3.863 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.566 5.411 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.305 6.032 8.513 1.00 0.00 H new ATOM 830 N THR A 61 -4.464 6.423 6.070 1.00 0.00 N ATOM 831 CA THR A 61 -3.229 6.983 5.537 1.00 0.00 C ATOM 832 C THR A 61 -3.163 8.488 5.767 1.00 0.00 C ATOM 833 O THR A 61 -2.089 9.086 5.719 1.00 0.00 O ATOM 834 CB THR A 61 -3.088 6.699 4.029 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.181 7.288 3.316 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.050 5.202 3.762 1.00 0.00 C ATOM 0 H THR A 61 -5.247 6.430 5.416 1.00 0.00 H new ATOM 0 HA THR A 61 -2.409 6.501 6.069 1.00 0.00 H new ATOM 0 HB THR A 61 -2.151 7.137 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.010 6.815 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.950 5.026 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.200 4.761 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.972 4.745 4.120 1.00 0.00 H new ATOM 844 N GLU A 62 -4.319 9.095 6.017 1.00 0.00 N ATOM 845 CA GLU A 62 -4.391 10.532 6.255 1.00 0.00 C ATOM 846 C GLU A 62 -3.548 10.926 7.464 1.00 0.00 C ATOM 847 O GLU A 62 -3.310 12.109 7.708 1.00 0.00 O ATOM 848 CB GLU A 62 -5.844 10.963 6.470 1.00 0.00 C ATOM 849 CG GLU A 62 -6.495 10.323 7.684 1.00 0.00 C ATOM 850 CD GLU A 62 -7.934 10.764 7.875 1.00 0.00 C ATOM 851 OE1 GLU A 62 -8.189 11.986 7.843 1.00 0.00 O ATOM 852 OE2 GLU A 62 -8.804 9.886 8.055 1.00 0.00 O ATOM 0 H GLU A 62 -5.218 8.614 6.060 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.995 11.041 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.880 12.047 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.424 10.711 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.462 9.238 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.920 10.575 8.575 1.00 0.00 H new ATOM 859 N SER A 63 -3.099 9.927 8.216 1.00 0.00 N ATOM 860 CA SER A 63 -2.285 10.169 9.402 1.00 0.00 C ATOM 861 C SER A 63 -0.947 9.443 9.300 1.00 0.00 C ATOM 862 O SER A 63 -0.280 9.203 10.306 1.00 0.00 O ATOM 863 CB SER A 63 -3.030 9.714 10.659 1.00 0.00 C ATOM 864 OG SER A 63 -4.146 10.547 10.919 1.00 0.00 O ATOM 0 H SER A 63 -3.285 8.942 8.026 1.00 0.00 H new ATOM 0 HA SER A 63 -2.094 11.240 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.362 8.683 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.353 9.731 11.513 1.00 0.00 H new ATOM 0 HG SER A 63 -4.606 10.235 11.726 1.00 0.00 H new ATOM 870 N MET A 64 -0.561 9.096 8.076 1.00 0.00 N ATOM 871 CA MET A 64 0.698 8.399 7.842 1.00 0.00 C ATOM 872 C MET A 64 1.476 9.050 6.703 1.00 0.00 C ATOM 873 O MET A 64 0.912 9.379 5.659 1.00 0.00 O ATOM 874 CB MET A 64 0.438 6.926 7.520 1.00 0.00 C ATOM 875 CG MET A 64 0.302 6.644 6.032 1.00 0.00 C ATOM 876 SD MET A 64 -0.001 4.902 5.680 1.00 0.00 S ATOM 877 CE MET A 64 -0.881 4.406 7.160 1.00 0.00 C ATOM 0 H MET A 64 -1.102 9.286 7.232 1.00 0.00 H new ATOM 0 HA MET A 64 1.295 8.465 8.751 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.254 6.325 7.922 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.473 6.607 8.027 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.515 7.240 5.626 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.211 6.961 5.521 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.410 3.472 6.973 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.171 4.264 7.975 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.598 5.180 7.434 1.00 0.00 H new ATOM 887 N THR A 65 2.776 9.236 6.910 1.00 0.00 N ATOM 888 CA THR A 65 3.631 9.850 5.902 1.00 0.00 C ATOM 889 C THR A 65 4.070 8.829 4.858 1.00 0.00 C ATOM 890 O THR A 65 4.083 7.626 5.119 1.00 0.00 O ATOM 891 CB THR A 65 4.882 10.486 6.538 1.00 0.00 C ATOM 892 OG1 THR A 65 5.689 9.475 7.151 1.00 0.00 O ATOM 893 CG2 THR A 65 4.491 11.528 7.576 1.00 0.00 C ATOM 0 H THR A 65 3.260 8.970 7.768 1.00 0.00 H new ATOM 0 HA THR A 65 3.041 10.629 5.420 1.00 0.00 H new ATOM 0 HB THR A 65 5.453 10.977 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.483 9.888 7.551 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.391 11.963 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.902 12.312 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.900 11.056 8.361 1.00 0.00 H new ATOM 901 N HIS A 66 4.429 9.317 3.675 1.00 0.00 N ATOM 902 CA HIS A 66 4.870 8.446 2.591 1.00 0.00 C ATOM 903 C HIS A 66 5.634 7.244 3.136 1.00 0.00 C ATOM 904 O HIS A 66 5.389 6.107 2.737 1.00 0.00 O ATOM 905 CB HIS A 66 5.749 9.223 1.610 1.00 0.00 C ATOM 906 CG HIS A 66 5.666 8.718 0.203 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.556 8.895 -0.596 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.565 8.041 -0.549 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.775 8.346 -1.778 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.987 7.821 -1.775 1.00 0.00 N ATOM 0 H HIS A 66 4.423 10.310 3.443 1.00 0.00 H new ATOM 0 HA HIS A 66 3.986 8.084 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.459 10.273 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.785 9.173 1.945 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.700 9.375 -0.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.553 7.731 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.081 8.329 -2.605 1.00 0.00 H new ATOM 919 N ALA A 67 6.563 7.505 4.051 1.00 0.00 N ATOM 920 CA ALA A 67 7.362 6.444 4.652 1.00 0.00 C ATOM 921 C ALA A 67 6.473 5.361 5.254 1.00 0.00 C ATOM 922 O ALA A 67 6.679 4.171 5.011 1.00 0.00 O ATOM 923 CB ALA A 67 8.289 7.019 5.713 1.00 0.00 C ATOM 0 H ALA A 67 6.780 8.442 4.392 1.00 0.00 H new ATOM 0 HA ALA A 67 7.965 5.987 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.880 6.216 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.955 7.751 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.697 7.502 6.490 1.00 0.00 H new ATOM 929 N ASP A 68 5.487 5.780 6.039 1.00 0.00 N ATOM 930 CA ASP A 68 4.567 4.844 6.675 1.00 0.00 C ATOM 931 C ASP A 68 3.904 3.943 5.637 1.00 0.00 C ATOM 932 O ASP A 68 4.040 2.721 5.685 1.00 0.00 O ATOM 933 CB ASP A 68 3.499 5.604 7.464 1.00 0.00 C ATOM 934 CG ASP A 68 4.021 6.125 8.789 1.00 0.00 C ATOM 935 OD1 ASP A 68 4.810 5.409 9.440 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.641 7.251 9.174 1.00 0.00 O ATOM 0 H ASP A 68 5.304 6.761 6.250 1.00 0.00 H new ATOM 0 HA ASP A 68 5.139 4.219 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.135 6.440 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.648 4.947 7.645 1.00 0.00 H new ATOM 941 N ALA A 69 3.187 4.555 4.701 1.00 0.00 N ATOM 942 CA ALA A 69 2.504 3.808 3.652 1.00 0.00 C ATOM 943 C ALA A 69 3.400 2.709 3.089 1.00 0.00 C ATOM 944 O ALA A 69 2.940 1.599 2.821 1.00 0.00 O ATOM 945 CB ALA A 69 2.057 4.747 2.541 1.00 0.00 C ATOM 0 H ALA A 69 3.064 5.566 4.647 1.00 0.00 H new ATOM 0 HA ALA A 69 1.625 3.336 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.548 4.176 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.375 5.493 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.927 5.245 2.114 1.00 0.00 H new ATOM 951 N GLN A 70 4.678 3.027 2.912 1.00 0.00 N ATOM 952 CA GLN A 70 5.636 2.065 2.379 1.00 0.00 C ATOM 953 C GLN A 70 5.752 0.849 3.293 1.00 0.00 C ATOM 954 O GLN A 70 5.628 -0.290 2.844 1.00 0.00 O ATOM 955 CB GLN A 70 7.007 2.722 2.208 1.00 0.00 C ATOM 956 CG GLN A 70 6.984 3.957 1.322 1.00 0.00 C ATOM 957 CD GLN A 70 7.223 3.632 -0.139 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.178 2.470 -0.544 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.480 4.659 -0.940 1.00 0.00 N ATOM 0 H GLN A 70 5.074 3.942 3.129 1.00 0.00 H new ATOM 0 HA GLN A 70 5.276 1.732 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.394 2.996 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.699 1.994 1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.021 4.456 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.745 4.659 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.508 5.606 -0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.650 4.501 -1.933 1.00 0.00 H new ATOM 968 N ASP A 71 5.992 1.099 4.575 1.00 0.00 N ATOM 969 CA ASP A 71 6.124 0.025 5.552 1.00 0.00 C ATOM 970 C ASP A 71 4.825 -0.767 5.668 1.00 0.00 C ATOM 971 O ASP A 71 4.793 -1.841 6.268 1.00 0.00 O ATOM 972 CB ASP A 71 6.513 0.593 6.918 1.00 0.00 C ATOM 973 CG ASP A 71 7.337 -0.380 7.736 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.076 -1.187 7.133 1.00 0.00 O ATOM 975 OD2 ASP A 71 7.245 -0.336 8.981 1.00 0.00 O ATOM 0 H ASP A 71 6.099 2.037 4.962 1.00 0.00 H new ATOM 0 HA ASP A 71 6.910 -0.648 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.078 1.514 6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.610 0.854 7.470 1.00 0.00 H new ATOM 980 N ARG A 72 3.756 -0.228 5.090 1.00 0.00 N ATOM 981 CA ARG A 72 2.454 -0.883 5.131 1.00 0.00 C ATOM 982 C ARG A 72 2.249 -1.761 3.900 1.00 0.00 C ATOM 983 O ARG A 72 1.699 -2.860 3.993 1.00 0.00 O ATOM 984 CB ARG A 72 1.338 0.159 5.219 1.00 0.00 C ATOM 985 CG ARG A 72 1.019 0.591 6.641 1.00 0.00 C ATOM 986 CD ARG A 72 -0.021 -0.318 7.279 1.00 0.00 C ATOM 987 NE ARG A 72 0.062 -0.304 8.737 1.00 0.00 N ATOM 988 CZ ARG A 72 0.955 -1.002 9.429 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.838 -1.764 8.800 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.967 -0.937 10.755 1.00 0.00 N ATOM 0 H ARG A 72 3.766 0.660 4.588 1.00 0.00 H new ATOM 0 HA ARG A 72 2.421 -1.516 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.624 1.035 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.436 -0.247 4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.930 0.579 7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.653 1.618 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.017 -0.002 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.117 -1.337 6.918 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.602 0.274 9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.833 -1.816 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.523 -2.299 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.290 -0.351 11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.653 -1.473 11.286 1.00 0.00 H new ATOM 1004 N ILE A 73 2.693 -1.270 2.748 1.00 0.00 N ATOM 1005 CA ILE A 73 2.558 -2.010 1.499 1.00 0.00 C ATOM 1006 C ILE A 73 3.565 -3.153 1.427 1.00 0.00 C ATOM 1007 O ILE A 73 3.263 -4.228 0.908 1.00 0.00 O ATOM 1008 CB ILE A 73 2.752 -1.093 0.278 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.543 -0.169 0.110 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.970 -1.922 -0.979 1.00 0.00 C ATOM 1011 CD1 ILE A 73 1.858 1.109 -0.636 1.00 0.00 C ATOM 0 H ILE A 73 3.149 -0.363 2.653 1.00 0.00 H new ATOM 0 HA ILE A 73 1.547 -2.417 1.480 1.00 0.00 H new ATOM 0 HB ILE A 73 3.637 -0.478 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.757 -0.706 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.148 0.082 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.105 -1.259 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.858 -2.542 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.103 -2.560 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.955 1.715 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.622 1.667 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.224 0.867 -1.634 1.00 0.00 H new ATOM 1023 N LYS A 74 4.762 -2.915 1.952 1.00 0.00 N ATOM 1024 CA LYS A 74 5.813 -3.925 1.950 1.00 0.00 C ATOM 1025 C LYS A 74 5.516 -5.021 2.968 1.00 0.00 C ATOM 1026 O LYS A 74 5.808 -6.194 2.735 1.00 0.00 O ATOM 1027 CB LYS A 74 7.167 -3.281 2.259 1.00 0.00 C ATOM 1028 CG LYS A 74 7.221 -2.597 3.614 1.00 0.00 C ATOM 1029 CD LYS A 74 7.704 -3.544 4.699 1.00 0.00 C ATOM 1030 CE LYS A 74 9.223 -3.566 4.783 1.00 0.00 C ATOM 1031 NZ LYS A 74 9.697 -3.907 6.153 1.00 0.00 N ATOM 0 H LYS A 74 5.028 -2.031 2.385 1.00 0.00 H new ATOM 0 HA LYS A 74 5.849 -4.375 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.942 -4.046 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.398 -2.551 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.885 -1.735 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.231 -2.221 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.290 -3.240 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.335 -4.549 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.616 -4.292 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.617 -2.592 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.737 -3.912 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.343 -3.200 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.342 -4.848 6.419 1.00 0.00 H new ATOM 1045 N ALA A 75 4.932 -4.632 4.097 1.00 0.00 N ATOM 1046 CA ALA A 75 4.592 -5.583 5.149 1.00 0.00 C ATOM 1047 C ALA A 75 3.166 -6.096 4.985 1.00 0.00 C ATOM 1048 O ALA A 75 2.620 -6.736 5.882 1.00 0.00 O ATOM 1049 CB ALA A 75 4.771 -4.943 6.517 1.00 0.00 C ATOM 0 H ALA A 75 4.684 -3.665 4.307 1.00 0.00 H new ATOM 0 HA ALA A 75 5.268 -6.434 5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.514 -5.664 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.808 -4.632 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.119 -4.073 6.600 1.00 0.00 H new ATOM 1055 N ALA A 76 2.567 -5.809 3.833 1.00 0.00 N ATOM 1056 CA ALA A 76 1.204 -6.242 3.552 1.00 0.00 C ATOM 1057 C ALA A 76 1.074 -7.757 3.672 1.00 0.00 C ATOM 1058 O ALA A 76 2.025 -8.443 4.046 1.00 0.00 O ATOM 1059 CB ALA A 76 0.780 -5.782 2.165 1.00 0.00 C ATOM 0 H ALA A 76 3.005 -5.279 3.080 1.00 0.00 H new ATOM 0 HA ALA A 76 0.544 -5.787 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.240 -6.112 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.826 -4.694 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.450 -6.210 1.419 1.00 0.00 H new ATOM 1065 N SER A 77 -0.109 -8.272 3.352 1.00 0.00 N ATOM 1066 CA SER A 77 -0.364 -9.705 3.428 1.00 0.00 C ATOM 1067 C SER A 77 -0.533 -10.302 2.034 1.00 0.00 C ATOM 1068 O SER A 77 -0.491 -9.588 1.032 1.00 0.00 O ATOM 1069 CB SER A 77 -1.615 -9.978 4.266 1.00 0.00 C ATOM 1070 OG SER A 77 -1.304 -10.017 5.648 1.00 0.00 O ATOM 0 H SER A 77 -0.906 -7.718 3.038 1.00 0.00 H new ATOM 0 HA SER A 77 0.495 -10.177 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.358 -9.203 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.060 -10.926 3.963 1.00 0.00 H new ATOM 0 HG SER A 77 -2.120 -10.191 6.162 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.722 -11.615 1.979 1.00 0.00 N ATOM 1077 CA TYR A 78 -0.895 -12.310 0.708 1.00 0.00 C ATOM 1078 C TYR A 78 -1.750 -11.487 -0.251 1.00 0.00 C ATOM 1079 O TYR A 78 -1.641 -11.625 -1.469 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.537 -13.680 0.935 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.816 -13.623 1.739 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.786 -13.593 3.128 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.055 -13.601 1.110 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.952 -13.542 3.867 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.226 -13.549 1.841 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.169 -13.520 3.219 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.334 -13.469 3.950 1.00 0.00 O ATOM 0 H TYR A 78 -0.759 -12.220 2.799 1.00 0.00 H new ATOM 0 HA TYR A 78 0.090 -12.447 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.745 -14.139 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.824 -14.326 1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.834 -13.610 3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.103 -13.625 0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.911 -13.519 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.181 -13.531 1.336 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.102 -13.458 3.341 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.599 -10.632 0.309 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.473 -9.787 -0.496 1.00 0.00 C ATOM 1099 C GLN A 79 -3.408 -8.337 -0.029 1.00 0.00 C ATOM 1100 O GLN A 79 -3.427 -8.057 1.170 1.00 0.00 O ATOM 1101 CB GLN A 79 -4.915 -10.294 -0.424 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.479 -10.325 0.987 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.980 -10.539 1.011 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.469 -11.625 0.698 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.720 -9.501 1.384 1.00 0.00 N ATOM 0 H GLN A 79 -2.700 -10.506 1.316 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.130 -9.833 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.546 -9.658 -1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.960 -11.298 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.993 -11.121 1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.241 -9.388 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.272 -8.619 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.736 -9.585 1.419 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.330 -7.417 -0.985 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.262 -5.993 -0.672 1.00 0.00 C ATOM 1116 C LEU A 80 -4.635 -5.341 -0.798 1.00 0.00 C ATOM 1117 O LEU A 80 -5.220 -5.307 -1.882 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.266 -5.295 -1.599 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.235 -3.768 -1.524 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.936 -3.309 -0.105 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.208 -3.206 -2.496 1.00 0.00 C ATOM 0 H LEU A 80 -3.312 -7.631 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.925 -5.888 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.267 -5.670 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.492 -5.584 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.217 -3.390 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.918 -2.220 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.709 -3.680 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.966 -3.698 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.200 -2.118 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.220 -3.592 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.467 -3.505 -3.512 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.142 -4.823 0.315 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.446 -4.170 0.328 1.00 0.00 C ATOM 1135 C CYS A 81 -6.298 -2.662 0.502 1.00 0.00 C ATOM 1136 O CYS A 81 -5.975 -2.180 1.588 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.314 -4.741 1.451 1.00 0.00 C ATOM 1138 SG CYS A 81 -9.089 -4.695 1.108 1.00 0.00 S ATOM 0 H CYS A 81 -4.671 -4.842 1.219 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.930 -4.361 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.017 -5.773 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.117 -4.184 2.367 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.739 -5.201 2.114 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.533 -1.922 -0.576 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.424 -0.467 -0.544 1.00 0.00 C ATOM 1146 C LEU A 82 -7.739 0.187 -0.954 1.00 0.00 C ATOM 1147 O LEU A 82 -8.289 -0.109 -2.015 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.299 0.000 -1.470 1.00 0.00 C ATOM 1149 CG LEU A 82 -3.909 -0.567 -1.177 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -2.928 -0.166 -2.267 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.418 -0.097 0.185 1.00 0.00 C ATOM 0 H LEU A 82 -6.800 -2.305 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.194 -0.167 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.567 -0.260 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.243 1.087 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.977 -1.655 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.945 -0.579 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.272 -0.552 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.863 0.921 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.428 -0.510 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.366 0.992 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.108 -0.436 0.957 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.239 1.079 -0.106 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.489 1.779 -0.380 1.00 0.00 C ATOM 1165 C LYS A 83 -9.224 3.121 -1.054 1.00 0.00 C ATOM 1166 O LYS A 83 -8.359 3.884 -0.622 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.272 1.994 0.917 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.708 2.438 0.695 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.476 2.517 2.003 1.00 0.00 C ATOM 1170 CE LYS A 83 -12.360 3.895 2.635 1.00 0.00 C ATOM 1171 NZ LYS A 83 -11.184 3.991 3.544 1.00 0.00 N ATOM 0 H LYS A 83 -7.798 1.335 0.777 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.081 1.163 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.272 1.066 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.759 2.742 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.717 3.413 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.206 1.740 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.526 2.285 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.097 1.765 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.276 4.648 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.270 4.116 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.316 4.787 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.091 3.108 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.322 4.145 2.982 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.975 3.404 -2.113 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.822 4.656 -2.845 1.00 0.00 C ATOM 1187 C ILE A 84 -11.133 5.434 -2.882 1.00 0.00 C ATOM 1188 O ILE A 84 -12.212 4.861 -2.733 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.343 4.410 -4.288 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.289 3.445 -5.005 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -7.922 3.866 -4.289 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.151 3.471 -6.511 1.00 0.00 C ATOM 0 H ILE A 84 -10.695 2.784 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.069 5.241 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.348 5.359 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.101 2.432 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.317 3.691 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.598 3.697 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.257 4.586 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.892 2.925 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.852 2.763 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.368 4.474 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.133 3.195 -6.788 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.031 6.744 -3.083 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.209 7.601 -3.143 1.00 0.00 C ATOM 1206 C ASP A 85 -12.865 7.529 -4.518 1.00 0.00 C ATOM 1207 O ASP A 85 -14.090 7.559 -4.635 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.830 9.048 -2.821 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.028 9.976 -2.829 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.967 9.727 -3.615 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.028 10.951 -2.048 1.00 0.00 O ATOM 0 H ASP A 85 -10.145 7.235 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.924 7.246 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.351 9.086 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.097 9.399 -3.548 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.041 7.434 -5.557 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.541 7.359 -6.924 1.00 0.00 C ATOM 1218 C ARG A 86 -13.162 8.686 -7.349 1.00 0.00 C ATOM 1219 O ARG A 86 -14.262 8.720 -7.901 1.00 0.00 O ATOM 1220 CB ARG A 86 -13.572 6.236 -7.052 1.00 0.00 C ATOM 1221 CG ARG A 86 -13.612 5.600 -8.432 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.881 4.787 -8.634 1.00 0.00 C ATOM 1223 NE ARG A 86 -16.065 5.637 -8.734 1.00 0.00 N ATOM 1224 CZ ARG A 86 -17.260 5.192 -9.108 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.428 3.913 -9.415 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.289 6.027 -9.175 1.00 0.00 N ATOM 0 H ARG A 86 -11.024 7.407 -5.478 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.698 7.145 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.352 5.466 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.559 6.632 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.551 6.377 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.742 4.957 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.787 4.188 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.003 4.092 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.969 6.626 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.639 3.268 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.346 3.574 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.163 7.011 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.206 5.684 -9.462 1.00 0.00 H new ATOM 1240 N ALA A 87 -12.451 9.778 -7.087 1.00 0.00 N ATOM 1241 CA ALA A 87 -12.931 11.107 -7.444 1.00 0.00 C ATOM 1242 C ALA A 87 -12.413 11.529 -8.814 1.00 0.00 C ATOM 1243 O ALA A 87 -11.213 11.731 -8.998 1.00 0.00 O ATOM 1244 CB ALA A 87 -12.517 12.119 -6.386 1.00 0.00 C ATOM 0 H ALA A 87 -11.540 9.768 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.019 11.072 -7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.882 13.107 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.942 11.834 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.430 12.142 -6.310 1.00 0.00 H new ATOM 1250 N GLU A 88 -13.325 11.659 -9.773 1.00 0.00 N ATOM 1251 CA GLU A 88 -12.958 12.055 -11.127 1.00 0.00 C ATOM 1252 C GLU A 88 -12.569 13.530 -11.175 1.00 0.00 C ATOM 1253 O GLU A 88 -11.689 13.928 -11.940 1.00 0.00 O ATOM 1254 CB GLU A 88 -14.116 11.790 -12.091 1.00 0.00 C ATOM 1255 CG GLU A 88 -15.326 12.676 -11.848 1.00 0.00 C ATOM 1256 CD GLU A 88 -16.455 12.403 -12.823 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -16.180 12.321 -14.039 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -17.611 12.271 -12.371 1.00 0.00 O ATOM 0 H GLU A 88 -14.323 11.496 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.097 11.460 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.768 11.938 -13.113 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.418 10.746 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.685 12.523 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.028 13.721 -11.927 1.00 0.00 H new ATOM 1265 N THR A 89 -13.232 14.338 -10.354 1.00 0.00 N ATOM 1266 CA THR A 89 -12.958 15.769 -10.303 1.00 0.00 C ATOM 1267 C THR A 89 -11.931 16.094 -9.224 1.00 0.00 C ATOM 1268 O THR A 89 -11.963 17.172 -8.629 1.00 0.00 O ATOM 1269 CB THR A 89 -14.241 16.578 -10.035 1.00 0.00 C ATOM 1270 OG1 THR A 89 -15.284 16.147 -10.917 1.00 0.00 O ATOM 1271 CG2 THR A 89 -13.992 18.066 -10.225 1.00 0.00 C ATOM 0 H THR A 89 -13.963 14.026 -9.715 1.00 0.00 H new ATOM 0 HA THR A 89 -12.558 16.049 -11.278 1.00 0.00 H new ATOM 0 HB THR A 89 -14.544 16.406 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 89 -16.097 16.665 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.912 18.617 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.218 18.397 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.667 18.253 -11.249 1.00 0.00 H new ATOM 1279 N ARG A 90 -11.022 15.158 -8.978 1.00 0.00 N ATOM 1280 CA ARG A 90 -9.985 15.345 -7.970 1.00 0.00 C ATOM 1281 C ARG A 90 -9.255 16.668 -8.181 1.00 0.00 C ATOM 1282 O ARG A 90 -8.324 16.755 -8.984 1.00 0.00 O ATOM 1283 CB ARG A 90 -8.987 14.187 -8.012 1.00 0.00 C ATOM 1284 CG ARG A 90 -9.346 13.040 -7.080 1.00 0.00 C ATOM 1285 CD ARG A 90 -8.456 11.830 -7.319 1.00 0.00 C ATOM 1286 NE ARG A 90 -8.569 11.328 -8.685 1.00 0.00 N ATOM 1287 CZ ARG A 90 -7.844 11.787 -9.699 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -6.957 12.753 -9.501 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -8.004 11.279 -10.915 1.00 0.00 N ATOM 0 H ARG A 90 -10.982 14.261 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.465 15.366 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.924 13.809 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.998 14.561 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.248 13.366 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.389 12.761 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.419 12.097 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.724 11.039 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.242 10.584 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.830 13.145 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.402 13.103 -10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.684 10.535 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.447 11.632 -11.693 1.00 0.00 H new ATOM 1303 N LEU A 91 -9.682 17.696 -7.456 1.00 0.00 N ATOM 1304 CA LEU A 91 -9.069 19.016 -7.564 1.00 0.00 C ATOM 1305 C LEU A 91 -8.340 19.384 -6.276 1.00 0.00 C ATOM 1306 O LEU A 91 -7.318 20.070 -6.304 1.00 0.00 O ATOM 1307 CB LEU A 91 -10.131 20.069 -7.881 1.00 0.00 C ATOM 1308 CG LEU A 91 -10.677 20.063 -9.310 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -11.864 21.006 -9.431 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -9.586 20.445 -10.299 1.00 0.00 C ATOM 0 H LEU A 91 -10.450 17.641 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.342 18.987 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.966 19.932 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.709 21.054 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.015 19.054 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.239 20.989 -10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.653 20.687 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.552 22.019 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.992 20.436 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.217 21.444 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.766 19.730 -10.231 1.00 0.00 H new ATOM 1322 N TRP A 92 -8.871 18.923 -5.149 1.00 0.00 N ATOM 1323 CA TRP A 92 -8.269 19.203 -3.850 1.00 0.00 C ATOM 1324 C TRP A 92 -8.444 18.021 -2.903 1.00 0.00 C ATOM 1325 O TRP A 92 -8.951 16.970 -3.295 1.00 0.00 O ATOM 1326 CB TRP A 92 -8.889 20.460 -3.238 1.00 0.00 C ATOM 1327 CG TRP A 92 -10.381 20.385 -3.113 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -11.091 19.686 -2.180 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -11.344 21.033 -3.951 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -12.439 19.860 -2.387 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -12.620 20.682 -3.467 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -11.254 21.876 -5.061 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -13.793 21.146 -4.057 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -12.419 22.335 -5.646 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -13.674 21.970 -5.143 1.00 0.00 C ATOM 0 H TRP A 92 -9.717 18.354 -5.108 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.202 19.369 -4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.457 20.626 -2.251 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.626 21.322 -3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -10.658 19.085 -1.395 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -13.183 19.444 -1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -10.291 22.164 -5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -14.762 20.866 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -12.361 22.986 -6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -14.566 22.346 -5.622 1.00 0.00 H new ATOM 1346 N SER A 93 -8.023 18.200 -1.656 1.00 0.00 N ATOM 1347 CA SER A 93 -8.131 17.146 -0.653 1.00 0.00 C ATOM 1348 C SER A 93 -9.591 16.784 -0.401 1.00 0.00 C ATOM 1349 O SER A 93 -10.361 17.561 0.165 1.00 0.00 O ATOM 1350 CB SER A 93 -7.469 17.587 0.654 1.00 0.00 C ATOM 1351 OG SER A 93 -7.013 16.469 1.396 1.00 0.00 O ATOM 0 H SER A 93 -7.604 19.065 -1.315 1.00 0.00 H new ATOM 0 HA SER A 93 -7.617 16.263 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.631 18.249 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.180 18.158 1.251 1.00 0.00 H new ATOM 0 HG SER A 93 -6.592 16.777 2.226 1.00 0.00 H new ATOM 1357 N PRO A 94 -9.983 15.576 -0.831 1.00 0.00 N ATOM 1358 CA PRO A 94 -11.353 15.082 -0.662 1.00 0.00 C ATOM 1359 C PRO A 94 -11.685 14.780 0.795 1.00 0.00 C ATOM 1360 O PRO A 94 -10.880 15.035 1.690 1.00 0.00 O ATOM 1361 CB PRO A 94 -11.371 13.795 -1.492 1.00 0.00 C ATOM 1362 CG PRO A 94 -9.951 13.345 -1.524 1.00 0.00 C ATOM 1363 CD PRO A 94 -9.119 14.598 -1.513 1.00 0.00 C ATOM 0 HA PRO A 94 -12.093 15.818 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.015 13.041 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.751 13.977 -2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.721 12.717 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.750 12.751 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.179 14.452 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.866 14.921 -2.523 1.00 0.00 H new ATOM 1371 N GLN A 95 -12.875 14.234 1.025 1.00 0.00 N ATOM 1372 CA GLN A 95 -13.313 13.898 2.375 1.00 0.00 C ATOM 1373 C GLN A 95 -13.639 12.412 2.487 1.00 0.00 C ATOM 1374 O GLN A 95 -13.924 11.751 1.488 1.00 0.00 O ATOM 1375 CB GLN A 95 -14.537 14.731 2.759 1.00 0.00 C ATOM 1376 CG GLN A 95 -14.188 16.092 3.339 1.00 0.00 C ATOM 1377 CD GLN A 95 -13.731 17.077 2.281 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -14.342 17.193 1.219 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -12.650 17.794 2.567 1.00 0.00 N ATOM 0 H GLN A 95 -13.553 14.015 0.295 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.498 14.126 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -15.163 14.870 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -15.130 14.176 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -15.058 16.497 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.402 15.974 4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.174 17.665 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.296 18.473 1.894 1.00 0.00 H new ATOM 1388 N VAL A 96 -13.595 11.892 3.710 1.00 0.00 N ATOM 1389 CA VAL A 96 -13.887 10.485 3.953 1.00 0.00 C ATOM 1390 C VAL A 96 -14.973 9.978 3.010 1.00 0.00 C ATOM 1391 O VAL A 96 -16.132 10.379 3.109 1.00 0.00 O ATOM 1392 CB VAL A 96 -14.333 10.247 5.408 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -13.233 10.652 6.377 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -15.619 11.006 5.701 1.00 0.00 C ATOM 0 H VAL A 96 -13.360 12.425 4.547 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.965 9.934 3.769 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.527 9.183 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.566 10.477 7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.339 10.060 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.004 11.710 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.920 10.827 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.454 12.073 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.405 10.663 5.029 1.00 0.00 H new ATOM 1404 N SER A 97 -14.589 9.092 2.096 1.00 0.00 N ATOM 1405 CA SER A 97 -15.529 8.532 1.133 1.00 0.00 C ATOM 1406 C SER A 97 -16.661 7.796 1.843 1.00 0.00 C ATOM 1407 O SER A 97 -17.834 7.973 1.514 1.00 0.00 O ATOM 1408 CB SER A 97 -14.807 7.579 0.178 1.00 0.00 C ATOM 1409 OG SER A 97 -14.329 6.435 0.864 1.00 0.00 O ATOM 0 H SER A 97 -13.634 8.747 2.003 1.00 0.00 H new ATOM 0 HA SER A 97 -15.957 9.355 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.486 7.272 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.974 8.097 -0.297 1.00 0.00 H new ATOM 0 HG SER A 97 -14.092 5.740 0.215 1.00 0.00 H new ATOM 1415 N SER A 98 -16.300 6.970 2.820 1.00 0.00 N ATOM 1416 CA SER A 98 -17.284 6.204 3.576 1.00 0.00 C ATOM 1417 C SER A 98 -18.430 7.098 4.039 1.00 0.00 C ATOM 1418 O SER A 98 -18.279 7.888 4.970 1.00 0.00 O ATOM 1419 CB SER A 98 -16.624 5.536 4.783 1.00 0.00 C ATOM 1420 OG SER A 98 -15.930 6.484 5.575 1.00 0.00 O ATOM 0 H SER A 98 -15.334 6.814 3.107 1.00 0.00 H new ATOM 0 HA SER A 98 -17.690 5.434 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.383 5.039 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.932 4.766 4.443 1.00 0.00 H new ATOM 0 HG SER A 98 -16.446 7.316 5.617 1.00 0.00 H new ATOM 1426 N GLY A 99 -19.578 6.967 3.381 1.00 0.00 N ATOM 1427 CA GLY A 99 -20.734 7.769 3.738 1.00 0.00 C ATOM 1428 C GLY A 99 -20.780 9.086 2.988 1.00 0.00 C ATOM 1429 O GLY A 99 -19.751 9.701 2.707 1.00 0.00 O ATOM 0 H GLY A 99 -19.728 6.320 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -21.643 7.204 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.719 7.965 4.810 1.00 0.00 H new ATOM 1433 N PRO A 100 -21.997 9.537 2.652 1.00 0.00 N ATOM 1434 CA PRO A 100 -22.202 10.794 1.925 1.00 0.00 C ATOM 1435 C PRO A 100 -21.877 12.016 2.776 1.00 0.00 C ATOM 1436 O PRO A 100 -22.684 12.441 3.603 1.00 0.00 O ATOM 1437 CB PRO A 100 -23.693 10.764 1.579 1.00 0.00 C ATOM 1438 CG PRO A 100 -24.306 9.890 2.619 1.00 0.00 C ATOM 1439 CD PRO A 100 -23.267 8.856 2.955 1.00 0.00 C ATOM 0 HA PRO A 100 -21.550 10.873 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.124 11.765 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.859 10.365 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -24.582 10.468 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -25.217 9.421 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -23.322 8.556 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -23.391 7.953 2.358 1.00 0.00 H new ATOM 1447 N SER A 101 -20.690 12.578 2.569 1.00 0.00 N ATOM 1448 CA SER A 101 -20.257 13.750 3.320 1.00 0.00 C ATOM 1449 C SER A 101 -21.250 14.897 3.158 1.00 0.00 C ATOM 1450 O SER A 101 -21.776 15.128 2.069 1.00 0.00 O ATOM 1451 CB SER A 101 -18.868 14.194 2.858 1.00 0.00 C ATOM 1452 OG SER A 101 -18.828 14.362 1.451 1.00 0.00 O ATOM 0 H SER A 101 -20.011 12.240 1.887 1.00 0.00 H new ATOM 0 HA SER A 101 -20.212 13.478 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.601 15.131 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.127 13.454 3.160 1.00 0.00 H new ATOM 0 HG SER A 101 -17.930 14.648 1.181 1.00 0.00 H new ATOM 1458 N SER A 102 -21.502 15.612 4.249 1.00 0.00 N ATOM 1459 CA SER A 102 -22.435 16.733 4.230 1.00 0.00 C ATOM 1460 C SER A 102 -22.067 17.763 5.293 1.00 0.00 C ATOM 1461 O SER A 102 -21.120 17.575 6.055 1.00 0.00 O ATOM 1462 CB SER A 102 -23.865 16.238 4.457 1.00 0.00 C ATOM 1463 OG SER A 102 -24.352 15.548 3.319 1.00 0.00 O ATOM 0 H SER A 102 -21.073 15.435 5.158 1.00 0.00 H new ATOM 0 HA SER A 102 -22.374 17.208 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 102 -23.892 15.579 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.515 17.084 4.679 1.00 0.00 H new ATOM 0 HG SER A 102 -23.626 15.432 2.671 1.00 0.00 H new ATOM 1469 N GLY A 103 -22.825 18.855 5.338 1.00 0.00 N ATOM 1470 CA GLY A 103 -22.564 19.900 6.310 1.00 0.00 C ATOM 1471 C GLY A 103 -22.151 21.206 5.661 1.00 0.00 C ATOM 1472 O GLY A 103 -22.995 21.969 5.192 1.00 0.00 O ATOM 0 H GLY A 103 -23.615 19.034 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -23.458 20.064 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.778 19.571 6.990 1.00 0.00 H new TER 1476 GLY A 103