USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 861 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 80 THR OG1 : rot -47:sc= 1.23 USER MOD Set 1.2: A 83 THR OG1 : rot 92:sc= 1.29 USER MOD Set 2.1: A 28 HIS : +bothHN:sc= 0.144 K(o=-0.051,f=-3.5) USER MOD Set 2.2: A 51 ASN : amide:sc= -0.195 K(o=-0.051,f=-1.9) USER MOD Single : A 1 LEU N :NH3+ 147:sc= -1.66 (180deg=-2.49!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 152:sc= -0.298 (180deg=-2.2) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 11 SER OG : rot 180:sc=0.000229 USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -1.43 (180deg=-3.77!) USER MOD Single : A 20 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.023) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= 0.954 (180deg=0.00339) USER MOD Single : A 39 ASN : amide:sc= 0.192 K(o=0.19,f=-6.6!) USER MOD Single : A 47 SER OG : rot 40:sc= -0.108 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.54 F(o=-1.1,f=-0.54) USER MOD Single : A 78 SER OG : rot -24:sc= 0.14 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00659) USER MOD Single : A 89 LYS NZ :NH3+ -147:sc= 0.341 (180deg=0.0794) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -2.32! (180deg=-3.67!) USER MOD Single : A 101 TYR OH : rot -120:sc= 0.141 USER MOD Single : A 102 THR OG1 : rot 170:sc= -0.196 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.451 1.852 -3.603 1.00 0.00 N ATOM 2 CA LEU A 1 -0.307 3.328 -3.645 1.00 0.00 C ATOM 3 C LEU A 1 1.167 3.752 -3.447 1.00 0.00 C ATOM 4 O LEU A 1 1.609 4.771 -3.993 1.00 0.00 O ATOM 5 CB LEU A 1 -1.256 4.023 -2.610 1.00 0.00 C ATOM 6 CG LEU A 1 -0.927 3.898 -1.075 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.856 4.814 -0.236 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.999 2.443 -0.567 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.372 1.605 -3.187 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.393 1.470 -4.569 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.311 1.445 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 1 -0.611 3.664 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.290 5.085 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -2.260 3.628 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 1 0.104 4.228 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.610 4.711 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.717 5.851 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.894 4.525 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.763 2.417 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.004 2.052 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.281 1.831 -1.113 1.00 0.00 H new ATOM 22 N ALA A 2 1.922 2.948 -2.672 1.00 0.00 N ATOM 23 CA ALA A 2 3.345 3.200 -2.366 1.00 0.00 C ATOM 24 C ALA A 2 4.240 3.016 -3.606 1.00 0.00 C ATOM 25 O ALA A 2 3.967 2.168 -4.461 1.00 0.00 O ATOM 26 CB ALA A 2 3.829 2.271 -1.242 1.00 0.00 C ATOM 0 H ALA A 2 1.559 2.099 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 2 3.423 4.237 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.879 2.472 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.238 2.448 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.713 1.233 -1.553 1.00 0.00 H new ATOM 32 N GLY A 3 5.314 3.814 -3.657 1.00 0.00 N ATOM 33 CA GLY A 3 6.288 3.790 -4.752 1.00 0.00 C ATOM 34 C GLY A 3 7.661 4.279 -4.304 1.00 0.00 C ATOM 35 O GLY A 3 8.691 3.881 -4.865 1.00 0.00 O ATOM 0 H GLY A 3 5.532 4.499 -2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.373 2.775 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.930 4.415 -5.570 1.00 0.00 H new ATOM 39 N GLY A 4 7.658 5.172 -3.297 1.00 0.00 N ATOM 40 CA GLY A 4 8.879 5.681 -2.682 1.00 0.00 C ATOM 41 C GLY A 4 9.516 6.808 -3.482 1.00 0.00 C ATOM 42 O GLY A 4 8.866 7.821 -3.751 1.00 0.00 O ATOM 0 H GLY A 4 6.804 5.556 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.653 6.038 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.595 4.866 -2.578 1.00 0.00 H new ATOM 46 N LYS A 5 10.801 6.626 -3.851 1.00 0.00 N ATOM 47 CA LYS A 5 11.579 7.604 -4.640 1.00 0.00 C ATOM 48 C LYS A 5 11.850 7.099 -6.069 1.00 0.00 C ATOM 49 O LYS A 5 12.463 7.816 -6.874 1.00 0.00 O ATOM 50 CB LYS A 5 12.894 7.962 -3.888 1.00 0.00 C ATOM 51 CG LYS A 5 12.659 8.719 -2.555 1.00 0.00 C ATOM 52 CD LYS A 5 11.944 10.078 -2.765 1.00 0.00 C ATOM 53 CE LYS A 5 11.562 10.769 -1.450 1.00 0.00 C ATOM 54 NZ LYS A 5 12.738 11.095 -0.609 1.00 0.00 N ATOM 0 H LYS A 5 11.332 5.790 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 5 10.987 8.513 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.447 7.045 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.520 8.573 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.062 8.097 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.617 8.888 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.594 10.738 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.044 9.920 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.015 11.685 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.887 10.123 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.421 11.560 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.248 10.220 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.371 11.734 -1.131 1.00 0.00 H new ATOM 68 N SER A 6 11.358 5.886 -6.384 1.00 0.00 N ATOM 69 CA SER A 6 11.411 5.318 -7.742 1.00 0.00 C ATOM 70 C SER A 6 10.467 6.096 -8.681 1.00 0.00 C ATOM 71 O SER A 6 9.453 6.624 -8.218 1.00 0.00 O ATOM 72 CB SER A 6 11.021 3.827 -7.697 1.00 0.00 C ATOM 73 OG SER A 6 11.857 3.112 -6.797 1.00 0.00 O ATOM 0 H SER A 6 10.912 5.272 -5.702 1.00 0.00 H new ATOM 0 HA SER A 6 12.427 5.405 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.980 3.728 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.101 3.396 -8.695 1.00 0.00 H new ATOM 0 HG SER A 6 11.591 2.169 -6.783 1.00 0.00 H new ATOM 79 N MET A 7 10.808 6.134 -9.993 1.00 0.00 N ATOM 80 CA MET A 7 10.096 6.956 -11.015 1.00 0.00 C ATOM 81 C MET A 7 10.387 8.467 -10.767 1.00 0.00 C ATOM 82 O MET A 7 9.489 9.316 -10.743 1.00 0.00 O ATOM 83 CB MET A 7 8.557 6.615 -11.060 1.00 0.00 C ATOM 84 CG MET A 7 7.713 7.369 -12.111 1.00 0.00 C ATOM 85 SD MET A 7 5.933 7.078 -11.925 1.00 0.00 S ATOM 86 CE MET A 7 5.650 7.476 -10.191 1.00 0.00 C ATOM 0 H MET A 7 11.585 5.596 -10.377 1.00 0.00 H new ATOM 0 HA MET A 7 10.476 6.710 -12.007 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.450 5.545 -11.241 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.134 6.816 -10.076 1.00 0.00 H new ATOM 0 HG2 MET A 7 7.912 8.438 -12.031 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.024 7.061 -13.109 1.00 0.00 H new ATOM 0 HE1 MET A 7 4.625 7.822 -10.060 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.814 6.587 -9.582 1.00 0.00 H new ATOM 0 HE3 MET A 7 6.340 8.261 -9.881 1.00 0.00 H new ATOM 96 N ASN A 8 11.686 8.758 -10.510 1.00 0.00 N ATOM 97 CA ASN A 8 12.260 10.128 -10.523 1.00 0.00 C ATOM 98 C ASN A 8 11.576 11.080 -9.522 1.00 0.00 C ATOM 99 O ASN A 8 11.515 12.293 -9.759 1.00 0.00 O ATOM 100 CB ASN A 8 12.201 10.703 -11.972 1.00 0.00 C ATOM 101 CG ASN A 8 13.042 9.904 -12.970 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.131 9.448 -12.647 1.00 0.00 O ATOM 103 ND2 ASN A 8 12.531 9.716 -14.177 1.00 0.00 N ATOM 0 H ASN A 8 12.374 8.039 -10.285 1.00 0.00 H new ATOM 0 HA ASN A 8 13.298 10.052 -10.199 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.164 10.717 -12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.547 11.737 -11.961 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.048 9.177 -14.871 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.620 10.111 -14.412 1.00 0.00 H new ATOM 110 N VAL A 9 11.099 10.533 -8.382 1.00 0.00 N ATOM 111 CA VAL A 9 10.350 11.322 -7.378 1.00 0.00 C ATOM 112 C VAL A 9 11.203 12.477 -6.801 1.00 0.00 C ATOM 113 O VAL A 9 10.645 13.498 -6.428 1.00 0.00 O ATOM 114 CB VAL A 9 9.786 10.425 -6.211 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.049 11.248 -5.130 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.850 9.333 -6.754 1.00 0.00 C ATOM 0 H VAL A 9 11.219 9.551 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 9 9.500 11.754 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 9 10.653 9.959 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.682 10.580 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.736 11.972 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.208 11.774 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.476 8.730 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.011 9.798 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.398 8.696 -7.449 1.00 0.00 H new ATOM 126 N GLU A 10 12.548 12.307 -6.764 1.00 0.00 N ATOM 127 CA GLU A 10 13.488 13.377 -6.340 1.00 0.00 C ATOM 128 C GLU A 10 13.327 14.596 -7.263 1.00 0.00 C ATOM 129 O GLU A 10 13.170 15.726 -6.791 1.00 0.00 O ATOM 130 CB GLU A 10 14.967 12.858 -6.353 1.00 0.00 C ATOM 131 CG GLU A 10 16.023 13.739 -5.605 1.00 0.00 C ATOM 132 CD GLU A 10 16.375 15.094 -6.271 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.046 15.094 -7.319 1.00 0.00 O ATOM 134 OE2 GLU A 10 15.992 16.164 -5.741 1.00 0.00 O ATOM 0 H GLU A 10 13.009 11.435 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 10 13.252 13.672 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.982 11.860 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.283 12.754 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.654 13.937 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.940 13.160 -5.500 1.00 0.00 H new ATOM 141 N SER A 11 13.346 14.331 -8.580 1.00 0.00 N ATOM 142 CA SER A 11 13.202 15.356 -9.625 1.00 0.00 C ATOM 143 C SER A 11 11.867 16.113 -9.468 1.00 0.00 C ATOM 144 O SER A 11 11.819 17.343 -9.573 1.00 0.00 O ATOM 145 CB SER A 11 13.279 14.685 -11.017 1.00 0.00 C ATOM 146 OG SER A 11 14.399 13.819 -11.100 1.00 0.00 O ATOM 0 H SER A 11 13.463 13.389 -8.952 1.00 0.00 H new ATOM 0 HA SER A 11 14.012 16.078 -9.526 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.365 14.122 -11.205 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.347 15.450 -11.791 1.00 0.00 H new ATOM 0 HG SER A 11 14.427 13.405 -11.988 1.00 0.00 H new ATOM 152 N TYR A 12 10.800 15.353 -9.181 1.00 0.00 N ATOM 153 CA TYR A 12 9.454 15.907 -8.994 1.00 0.00 C ATOM 154 C TYR A 12 9.343 16.656 -7.649 1.00 0.00 C ATOM 155 O TYR A 12 8.644 17.650 -7.562 1.00 0.00 O ATOM 156 CB TYR A 12 8.385 14.796 -9.110 1.00 0.00 C ATOM 157 CG TYR A 12 8.336 14.130 -10.497 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.095 14.887 -11.644 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.521 12.752 -10.660 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.050 14.302 -12.891 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.477 12.166 -11.912 1.00 0.00 C ATOM 162 CZ TYR A 12 8.240 12.946 -13.023 1.00 0.00 C ATOM 163 OH TYR A 12 8.186 12.370 -14.273 1.00 0.00 O ATOM 0 H TYR A 12 10.847 14.340 -9.073 1.00 0.00 H new ATOM 0 HA TYR A 12 9.271 16.632 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.583 14.033 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.406 15.220 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.941 15.952 -11.553 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.701 12.135 -9.792 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.865 14.909 -13.765 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.628 11.102 -12.018 1.00 0.00 H new ATOM 0 HH TYR A 12 8.769 11.583 -14.296 1.00 0.00 H new ATOM 173 N GLU A 13 10.083 16.184 -6.630 1.00 0.00 N ATOM 174 CA GLU A 13 10.061 16.725 -5.264 1.00 0.00 C ATOM 175 C GLU A 13 10.577 18.172 -5.264 1.00 0.00 C ATOM 176 O GLU A 13 9.901 19.103 -4.794 1.00 0.00 O ATOM 177 CB GLU A 13 10.948 15.801 -4.366 1.00 0.00 C ATOM 178 CG GLU A 13 10.643 15.806 -2.863 1.00 0.00 C ATOM 179 CD GLU A 13 10.967 17.117 -2.155 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.152 17.499 -2.141 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.047 17.766 -1.609 1.00 0.00 O ATOM 0 H GLU A 13 10.726 15.399 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 13 9.045 16.744 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.851 14.778 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.990 16.091 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.586 15.582 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.207 15.003 -2.388 1.00 0.00 H new ATOM 188 N LYS A 14 11.781 18.329 -5.824 1.00 0.00 N ATOM 189 CA LYS A 14 12.476 19.607 -5.875 1.00 0.00 C ATOM 190 C LYS A 14 11.736 20.615 -6.780 1.00 0.00 C ATOM 191 O LYS A 14 11.538 21.751 -6.369 1.00 0.00 O ATOM 192 CB LYS A 14 13.947 19.408 -6.343 1.00 0.00 C ATOM 193 CG LYS A 14 14.111 18.734 -7.723 1.00 0.00 C ATOM 194 CD LYS A 14 15.564 18.706 -8.264 1.00 0.00 C ATOM 195 CE LYS A 14 16.102 20.094 -8.689 1.00 0.00 C ATOM 196 NZ LYS A 14 16.357 20.998 -7.535 1.00 0.00 N ATOM 0 H LYS A 14 12.299 17.564 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 14 12.490 20.024 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.438 20.381 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.471 18.808 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.743 17.710 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.480 19.255 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.219 18.293 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.610 18.032 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.026 19.962 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.385 20.565 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.245 21.517 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.572 21.674 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.433 20.436 -6.664 1.00 0.00 H new ATOM 210 N ILE A 15 11.282 20.179 -7.988 1.00 0.00 N ATOM 211 CA ILE A 15 10.646 21.092 -8.975 1.00 0.00 C ATOM 212 C ILE A 15 9.319 21.655 -8.422 1.00 0.00 C ATOM 213 O ILE A 15 8.953 22.802 -8.706 1.00 0.00 O ATOM 214 CB ILE A 15 10.414 20.406 -10.386 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.044 21.475 -11.466 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.332 19.300 -10.326 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.790 20.925 -12.861 1.00 0.00 C ATOM 0 H ILE A 15 11.345 19.209 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 15 11.343 21.914 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 15 11.352 19.928 -10.669 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.153 22.009 -11.135 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.851 22.206 -11.522 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.207 18.859 -11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.639 18.528 -9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.386 19.733 -10.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.541 21.744 -13.535 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.685 20.418 -13.221 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.961 20.218 -12.828 1.00 0.00 H new ATOM 229 N LEU A 16 8.620 20.829 -7.623 1.00 0.00 N ATOM 230 CA LEU A 16 7.386 21.227 -6.931 1.00 0.00 C ATOM 231 C LEU A 16 7.665 22.308 -5.883 1.00 0.00 C ATOM 232 O LEU A 16 6.926 23.295 -5.804 1.00 0.00 O ATOM 233 CB LEU A 16 6.712 19.993 -6.273 1.00 0.00 C ATOM 234 CG LEU A 16 5.932 19.061 -7.244 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.388 17.813 -6.516 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.809 19.839 -7.962 1.00 0.00 C ATOM 0 H LEU A 16 8.898 19.865 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 16 6.704 21.645 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.481 19.405 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.025 20.343 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 16 6.629 18.706 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.849 17.185 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.218 17.250 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.713 18.123 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.276 19.169 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.114 20.239 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.243 20.659 -8.534 1.00 0.00 H new ATOM 248 N ARG A 17 8.731 22.110 -5.088 1.00 0.00 N ATOM 249 CA ARG A 17 9.149 23.088 -4.070 1.00 0.00 C ATOM 250 C ARG A 17 9.556 24.421 -4.721 1.00 0.00 C ATOM 251 O ARG A 17 9.114 25.461 -4.277 1.00 0.00 O ATOM 252 CB ARG A 17 10.289 22.538 -3.182 1.00 0.00 C ATOM 253 CG ARG A 17 9.843 21.439 -2.193 1.00 0.00 C ATOM 254 CD ARG A 17 10.970 21.001 -1.251 1.00 0.00 C ATOM 255 NE ARG A 17 12.050 20.344 -1.997 1.00 0.00 N ATOM 256 CZ ARG A 17 13.356 20.600 -1.893 1.00 0.00 C ATOM 257 NH1 ARG A 17 13.811 21.538 -1.078 1.00 0.00 N ATOM 258 NH2 ARG A 17 14.210 19.878 -2.583 1.00 0.00 N ATOM 0 H ARG A 17 9.320 21.278 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 17 8.291 23.271 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.074 22.138 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.727 23.362 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.003 21.806 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.486 20.575 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.364 21.868 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.576 20.319 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 17 11.775 19.620 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.159 22.083 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.813 21.716 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.873 19.131 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.210 20.065 -2.511 1.00 0.00 H new ATOM 272 N ASP A 18 10.370 24.359 -5.791 1.00 0.00 N ATOM 273 CA ASP A 18 10.799 25.549 -6.570 1.00 0.00 C ATOM 274 C ASP A 18 9.580 26.338 -7.107 1.00 0.00 C ATOM 275 O ASP A 18 9.505 27.573 -6.959 1.00 0.00 O ATOM 276 CB ASP A 18 11.743 25.118 -7.739 1.00 0.00 C ATOM 277 CG ASP A 18 13.192 24.834 -7.285 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.477 23.733 -6.774 1.00 0.00 O ATOM 279 OD2 ASP A 18 14.053 25.735 -7.418 1.00 0.00 O ATOM 0 H ASP A 18 10.753 23.483 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 18 11.351 26.212 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.337 24.224 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.754 25.903 -8.495 1.00 0.00 H new ATOM 284 N ARG A 19 8.618 25.598 -7.697 1.00 0.00 N ATOM 285 CA ARG A 19 7.377 26.178 -8.251 1.00 0.00 C ATOM 286 C ARG A 19 6.489 26.769 -7.136 1.00 0.00 C ATOM 287 O ARG A 19 5.810 27.769 -7.355 1.00 0.00 O ATOM 288 CB ARG A 19 6.586 25.123 -9.114 1.00 0.00 C ATOM 289 CG ARG A 19 6.759 25.267 -10.651 1.00 0.00 C ATOM 290 CD ARG A 19 8.215 25.118 -11.123 1.00 0.00 C ATOM 291 NE ARG A 19 8.335 25.325 -12.585 1.00 0.00 N ATOM 292 CZ ARG A 19 9.390 24.985 -13.346 1.00 0.00 C ATOM 293 NH1 ARG A 19 10.460 24.401 -12.817 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.368 25.244 -14.647 1.00 0.00 N ATOM 0 H ARG A 19 8.679 24.585 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 19 7.663 26.995 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.906 24.123 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.526 25.202 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.146 24.516 -11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.383 26.242 -10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.844 25.838 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.583 24.125 -10.863 1.00 0.00 H new ATOM 0 HE ARG A 19 7.545 25.766 -13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.491 24.203 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.250 24.151 -13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.555 25.698 -15.063 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.164 24.989 -15.231 1.00 0.00 H new ATOM 308 N GLN A 20 6.505 26.165 -5.936 1.00 0.00 N ATOM 309 CA GLN A 20 5.695 26.665 -4.814 1.00 0.00 C ATOM 310 C GLN A 20 6.406 27.835 -4.117 1.00 0.00 C ATOM 311 O GLN A 20 5.748 28.608 -3.458 1.00 0.00 O ATOM 312 CB GLN A 20 5.328 25.542 -3.798 1.00 0.00 C ATOM 313 CG GLN A 20 6.353 25.279 -2.678 1.00 0.00 C ATOM 314 CD GLN A 20 5.947 24.182 -1.698 1.00 0.00 C ATOM 315 OE1 GLN A 20 6.799 23.494 -1.143 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.653 24.020 -1.451 1.00 0.00 N ATOM 0 H GLN A 20 7.063 25.339 -5.720 1.00 0.00 H new ATOM 0 HA GLN A 20 4.754 27.027 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.373 25.795 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.179 24.615 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.307 25.010 -3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.513 26.204 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.966 24.605 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.346 23.310 -0.786 1.00 0.00 H new ATOM 325 N ARG A 21 7.750 27.946 -4.263 1.00 0.00 N ATOM 326 CA ARG A 21 8.530 29.082 -3.711 1.00 0.00 C ATOM 327 C ARG A 21 8.108 30.374 -4.415 1.00 0.00 C ATOM 328 O ARG A 21 7.797 31.370 -3.755 1.00 0.00 O ATOM 329 CB ARG A 21 10.069 28.883 -3.875 1.00 0.00 C ATOM 330 CG ARG A 21 10.679 27.767 -3.001 1.00 0.00 C ATOM 331 CD ARG A 21 12.166 27.504 -3.319 1.00 0.00 C ATOM 332 NE ARG A 21 12.649 26.237 -2.730 1.00 0.00 N ATOM 333 CZ ARG A 21 13.639 25.476 -3.241 1.00 0.00 C ATOM 334 NH1 ARG A 21 14.291 25.848 -4.343 1.00 0.00 N ATOM 335 NH2 ARG A 21 13.981 24.345 -2.644 1.00 0.00 N ATOM 0 H ARG A 21 8.318 27.260 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 21 8.319 29.138 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.282 28.662 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.569 29.823 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.580 28.039 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.113 26.847 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.305 27.476 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.768 28.331 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 21 12.200 25.914 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.044 26.719 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.037 25.261 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.496 24.048 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.730 23.770 -3.031 1.00 0.00 H new ATOM 349 N GLU A 22 8.077 30.323 -5.769 1.00 0.00 N ATOM 350 CA GLU A 22 7.678 31.477 -6.595 1.00 0.00 C ATOM 351 C GLU A 22 6.192 31.823 -6.366 1.00 0.00 C ATOM 352 O GLU A 22 5.846 32.997 -6.322 1.00 0.00 O ATOM 353 CB GLU A 22 7.972 31.245 -8.109 1.00 0.00 C ATOM 354 CG GLU A 22 7.133 30.140 -8.777 1.00 0.00 C ATOM 355 CD GLU A 22 7.395 29.983 -10.284 1.00 0.00 C ATOM 356 OE1 GLU A 22 6.813 30.752 -11.081 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.183 29.097 -10.674 1.00 0.00 O ATOM 0 H GLU A 22 8.324 29.493 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 22 8.284 32.327 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.804 32.180 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.027 30.998 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.339 29.191 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.076 30.357 -8.623 1.00 0.00 H new ATOM 364 N LEU A 23 5.333 30.785 -6.192 1.00 0.00 N ATOM 365 CA LEU A 23 3.893 30.975 -5.905 1.00 0.00 C ATOM 366 C LEU A 23 3.665 31.554 -4.499 1.00 0.00 C ATOM 367 O LEU A 23 2.812 32.422 -4.329 1.00 0.00 O ATOM 368 CB LEU A 23 3.097 29.653 -6.057 1.00 0.00 C ATOM 369 CG LEU A 23 2.933 29.096 -7.503 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.137 27.768 -7.492 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.277 30.144 -8.438 1.00 0.00 C ATOM 0 H LEU A 23 5.617 29.807 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 23 3.525 31.690 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.587 28.890 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.103 29.804 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 23 3.926 28.886 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.034 27.397 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.667 27.031 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.148 27.940 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.176 29.726 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.292 30.408 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.901 31.037 -8.479 1.00 0.00 H new ATOM 383 N TYR A 24 4.434 31.062 -3.506 1.00 0.00 N ATOM 384 CA TYR A 24 4.301 31.476 -2.094 1.00 0.00 C ATOM 385 C TYR A 24 4.626 32.968 -1.957 1.00 0.00 C ATOM 386 O TYR A 24 3.811 33.714 -1.447 1.00 0.00 O ATOM 387 CB TYR A 24 5.191 30.614 -1.132 1.00 0.00 C ATOM 388 CG TYR A 24 4.445 29.488 -0.377 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.462 29.794 0.568 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.731 28.134 -0.588 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.805 28.802 1.270 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.069 27.142 0.108 1.00 0.00 C ATOM 393 CZ TYR A 24 3.109 27.479 1.031 1.00 0.00 C ATOM 394 OH TYR A 24 2.457 26.488 1.722 1.00 0.00 O ATOM 0 H TYR A 24 5.164 30.367 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 24 3.267 31.305 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.998 30.167 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.653 31.276 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.211 30.828 0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.485 27.859 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.056 29.062 2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.305 26.104 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 24 2.790 25.613 1.432 1.00 0.00 H new ATOM 404 N ARG A 25 5.804 33.391 -2.452 1.00 0.00 N ATOM 405 CA ARG A 25 6.214 34.817 -2.414 1.00 0.00 C ATOM 406 C ARG A 25 5.312 35.697 -3.318 1.00 0.00 C ATOM 407 O ARG A 25 5.182 36.894 -3.071 1.00 0.00 O ATOM 408 CB ARG A 25 7.706 35.011 -2.810 1.00 0.00 C ATOM 409 CG ARG A 25 8.077 34.527 -4.237 1.00 0.00 C ATOM 410 CD ARG A 25 9.271 35.291 -4.831 1.00 0.00 C ATOM 411 NE ARG A 25 8.922 36.708 -5.028 1.00 0.00 N ATOM 412 CZ ARG A 25 9.777 37.714 -5.237 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.094 37.517 -5.249 1.00 0.00 N ATOM 414 NH2 ARG A 25 9.296 38.933 -5.436 1.00 0.00 N ATOM 0 H ARG A 25 6.490 32.772 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 25 6.093 35.139 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.953 36.069 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.329 34.480 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.311 33.463 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.214 34.644 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.131 35.210 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.561 34.845 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 25 7.930 36.945 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.471 36.582 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.726 38.301 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.288 39.091 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.933 39.713 -5.597 1.00 0.00 H new ATOM 428 N ARG A 26 4.721 35.087 -4.371 1.00 0.00 N ATOM 429 CA ARG A 26 3.779 35.769 -5.289 1.00 0.00 C ATOM 430 C ARG A 26 2.490 36.188 -4.563 1.00 0.00 C ATOM 431 O ARG A 26 2.039 37.320 -4.703 1.00 0.00 O ATOM 432 CB ARG A 26 3.450 34.846 -6.495 1.00 0.00 C ATOM 433 CG ARG A 26 2.274 35.296 -7.386 1.00 0.00 C ATOM 434 CD ARG A 26 2.057 34.371 -8.596 1.00 0.00 C ATOM 435 NE ARG A 26 3.145 34.511 -9.581 1.00 0.00 N ATOM 436 CZ ARG A 26 2.993 34.929 -10.847 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.790 35.248 -11.317 1.00 0.00 N ATOM 438 NH2 ARG A 26 4.055 35.053 -11.627 1.00 0.00 N ATOM 0 H ARG A 26 4.884 34.108 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 26 4.260 36.676 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.341 34.762 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.232 33.848 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.362 35.326 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.458 36.311 -7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.000 33.336 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.103 34.605 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 26 4.088 34.271 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.971 35.176 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.687 35.565 -12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.982 34.831 -11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.946 35.370 -12.590 1.00 0.00 H new ATOM 452 N LEU A 27 1.896 35.261 -3.798 1.00 0.00 N ATOM 453 CA LEU A 27 0.642 35.527 -3.066 1.00 0.00 C ATOM 454 C LEU A 27 0.933 36.254 -1.743 1.00 0.00 C ATOM 455 O LEU A 27 0.145 37.091 -1.300 1.00 0.00 O ATOM 456 CB LEU A 27 -0.194 34.213 -2.911 1.00 0.00 C ATOM 457 CG LEU A 27 0.484 32.947 -2.274 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.417 32.936 -0.739 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.117 31.645 -2.857 1.00 0.00 C ATOM 0 H LEU A 27 2.262 34.318 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 27 0.015 36.207 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.073 34.451 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.550 33.931 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 27 1.540 32.999 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.902 32.037 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.926 33.816 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.625 32.948 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.369 30.783 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.186 31.612 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.042 31.622 -3.935 1.00 0.00 H new ATOM 471 N HIS A 28 2.116 35.985 -1.166 1.00 0.00 N ATOM 472 CA HIS A 28 2.610 36.673 0.049 1.00 0.00 C ATOM 473 C HIS A 28 3.406 37.950 -0.322 1.00 0.00 C ATOM 474 O HIS A 28 4.165 38.432 0.499 1.00 0.00 O ATOM 475 CB HIS A 28 3.532 35.734 0.897 1.00 0.00 C ATOM 476 CG HIS A 28 2.837 34.621 1.627 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.988 34.832 2.690 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.927 33.279 1.495 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.580 33.676 3.163 1.00 0.00 C ATOM 480 NE2 HIS A 28 2.138 32.713 2.458 1.00 0.00 N ATOM 0 H HIS A 28 2.762 35.283 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 28 1.735 36.947 0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.281 35.298 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.067 36.343 1.626 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.717 35.745 3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.516 32.749 0.761 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.901 33.538 3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.004 31.713 2.606 1.00 0.00 H new ATOM 489 N LYS A 29 3.195 38.498 -1.536 1.00 0.00 N ATOM 490 CA LYS A 29 3.935 39.686 -2.064 1.00 0.00 C ATOM 491 C LYS A 29 3.993 40.876 -1.079 1.00 0.00 C ATOM 492 O LYS A 29 4.987 41.599 -1.018 1.00 0.00 O ATOM 493 CB LYS A 29 3.308 40.126 -3.416 1.00 0.00 C ATOM 494 CG LYS A 29 1.761 40.276 -3.417 1.00 0.00 C ATOM 495 CD LYS A 29 1.184 40.498 -4.856 1.00 0.00 C ATOM 496 CE LYS A 29 -0.182 39.815 -5.081 1.00 0.00 C ATOM 497 NZ LYS A 29 -1.240 40.317 -4.179 1.00 0.00 N ATOM 0 H LYS A 29 2.503 38.133 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 29 4.970 39.375 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.748 41.079 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.586 39.399 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.312 39.383 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.480 41.116 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.081 41.568 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.897 40.118 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.492 39.969 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.071 38.740 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.722 39.513 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.814 40.921 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.929 40.870 -4.727 1.00 0.00 H new ATOM 511 N ILE A 30 2.913 41.037 -0.308 1.00 0.00 N ATOM 512 CA ILE A 30 2.789 42.077 0.729 1.00 0.00 C ATOM 513 C ILE A 30 3.869 41.937 1.842 1.00 0.00 C ATOM 514 O ILE A 30 4.464 42.929 2.262 1.00 0.00 O ATOM 515 CB ILE A 30 1.336 42.120 1.373 1.00 0.00 C ATOM 516 CG1 ILE A 30 0.835 40.713 1.906 1.00 0.00 C ATOM 517 CG2 ILE A 30 0.327 42.725 0.378 1.00 0.00 C ATOM 518 CD1 ILE A 30 0.198 39.775 0.873 1.00 0.00 C ATOM 0 H ILE A 30 2.087 40.443 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 30 2.957 43.024 0.216 1.00 0.00 H new ATOM 0 HB ILE A 30 1.406 42.761 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.683 40.198 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.109 40.888 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.663 42.748 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.632 43.740 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.297 42.116 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.103 38.847 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.677 40.256 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.921 39.554 0.087 1.00 0.00 H new ATOM 530 N GLU A 31 4.131 40.699 2.277 1.00 0.00 N ATOM 531 CA GLU A 31 5.075 40.400 3.382 1.00 0.00 C ATOM 532 C GLU A 31 6.436 39.869 2.851 1.00 0.00 C ATOM 533 O GLU A 31 7.431 39.865 3.579 1.00 0.00 O ATOM 534 CB GLU A 31 4.422 39.376 4.350 1.00 0.00 C ATOM 535 CG GLU A 31 3.995 38.062 3.672 1.00 0.00 C ATOM 536 CD GLU A 31 3.358 37.040 4.623 1.00 0.00 C ATOM 537 OE1 GLU A 31 4.097 36.265 5.260 1.00 0.00 O ATOM 538 OE2 GLU A 31 2.115 36.985 4.711 1.00 0.00 O ATOM 0 H GLU A 31 3.697 39.867 1.877 1.00 0.00 H new ATOM 0 HA GLU A 31 5.285 41.326 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.125 39.148 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.549 39.835 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.287 38.291 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.868 37.609 3.202 1.00 0.00 H new ATOM 545 N ALA A 32 6.465 39.461 1.576 1.00 0.00 N ATOM 546 CA ALA A 32 7.663 38.916 0.898 1.00 0.00 C ATOM 547 C ALA A 32 8.061 39.883 -0.225 1.00 0.00 C ATOM 548 O ALA A 32 8.249 39.510 -1.395 1.00 0.00 O ATOM 549 CB ALA A 32 7.371 37.506 0.372 1.00 0.00 C ATOM 0 H ALA A 32 5.645 39.498 0.970 1.00 0.00 H new ATOM 0 HA ALA A 32 8.498 38.827 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.257 37.112 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.103 36.855 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.545 37.546 -0.338 1.00 0.00 H new ATOM 555 N ASP A 33 8.210 41.138 0.191 1.00 0.00 N ATOM 556 CA ASP A 33 8.410 42.296 -0.683 1.00 0.00 C ATOM 557 C ASP A 33 9.890 42.409 -1.129 1.00 0.00 C ATOM 558 O ASP A 33 10.689 43.100 -0.492 1.00 0.00 O ATOM 559 CB ASP A 33 7.907 43.569 0.065 1.00 0.00 C ATOM 560 CG ASP A 33 8.063 44.873 -0.734 1.00 0.00 C ATOM 561 OD1 ASP A 33 7.377 45.040 -1.767 1.00 0.00 O ATOM 562 OD2 ASP A 33 8.858 45.749 -0.332 1.00 0.00 O ATOM 0 H ASP A 33 8.195 41.388 1.180 1.00 0.00 H new ATOM 0 HA ASP A 33 7.833 42.182 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.855 43.436 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.452 43.664 1.004 1.00 0.00 H new ATOM 567 N PHE A 34 10.242 41.652 -2.192 1.00 0.00 N ATOM 568 CA PHE A 34 11.561 41.719 -2.871 1.00 0.00 C ATOM 569 C PHE A 34 11.385 41.349 -4.360 1.00 0.00 C ATOM 570 O PHE A 34 11.757 40.253 -4.792 1.00 0.00 O ATOM 571 CB PHE A 34 12.634 40.786 -2.198 1.00 0.00 C ATOM 572 CG PHE A 34 13.288 41.341 -0.926 1.00 0.00 C ATOM 573 CD1 PHE A 34 14.128 42.456 -0.992 1.00 0.00 C ATOM 574 CD2 PHE A 34 13.067 40.758 0.322 1.00 0.00 C ATOM 575 CE1 PHE A 34 14.729 42.961 0.146 1.00 0.00 C ATOM 576 CE2 PHE A 34 13.671 41.263 1.460 1.00 0.00 C ATOM 577 CZ PHE A 34 14.499 42.367 1.373 1.00 0.00 C ATOM 0 H PHE A 34 9.612 40.968 -2.610 1.00 0.00 H new ATOM 0 HA PHE A 34 11.933 42.739 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.162 39.834 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.417 40.578 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 34 14.310 42.930 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.415 39.900 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 34 15.379 43.821 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.496 40.794 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.965 42.765 2.262 1.00 0.00 H new ATOM 587 N GLU A 35 10.774 42.260 -5.133 1.00 0.00 N ATOM 588 CA GLU A 35 10.536 42.072 -6.591 1.00 0.00 C ATOM 589 C GLU A 35 11.682 42.678 -7.429 1.00 0.00 C ATOM 590 O GLU A 35 11.704 42.526 -8.658 1.00 0.00 O ATOM 591 CB GLU A 35 9.200 42.734 -6.997 1.00 0.00 C ATOM 592 CG GLU A 35 7.970 42.247 -6.214 1.00 0.00 C ATOM 593 CD GLU A 35 6.710 43.056 -6.551 1.00 0.00 C ATOM 594 OE1 GLU A 35 6.534 44.160 -5.986 1.00 0.00 O ATOM 595 OE2 GLU A 35 5.898 42.608 -7.390 1.00 0.00 O ATOM 0 H GLU A 35 10.428 43.150 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 35 10.493 41.001 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.292 43.812 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.031 42.555 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.794 41.194 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.170 42.318 -5.145 1.00 0.00 H new ATOM 602 N GLU A 36 12.621 43.349 -6.739 1.00 0.00 N ATOM 603 CA GLU A 36 13.713 44.107 -7.369 1.00 0.00 C ATOM 604 C GLU A 36 14.693 43.137 -8.071 1.00 0.00 C ATOM 605 O GLU A 36 15.154 42.187 -7.424 1.00 0.00 O ATOM 606 CB GLU A 36 14.481 44.984 -6.320 1.00 0.00 C ATOM 607 CG GLU A 36 13.607 45.939 -5.464 1.00 0.00 C ATOM 608 CD GLU A 36 12.846 45.230 -4.330 1.00 0.00 C ATOM 609 OE1 GLU A 36 13.483 44.858 -3.325 1.00 0.00 O ATOM 610 OE2 GLU A 36 11.620 45.016 -4.452 1.00 0.00 O ATOM 0 H GLU A 36 12.642 43.380 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 36 13.275 44.777 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.024 44.320 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.225 45.580 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.243 46.713 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.889 46.441 -6.113 1.00 0.00 H new ATOM 617 N PRO A 37 14.997 43.342 -9.407 1.00 0.00 N ATOM 618 CA PRO A 37 15.918 42.470 -10.182 1.00 0.00 C ATOM 619 C PRO A 37 17.327 42.383 -9.544 1.00 0.00 C ATOM 620 O PRO A 37 18.175 43.259 -9.755 1.00 0.00 O ATOM 621 CB PRO A 37 15.946 43.123 -11.601 1.00 0.00 C ATOM 622 CG PRO A 37 15.454 44.525 -11.389 1.00 0.00 C ATOM 623 CD PRO A 37 14.446 44.429 -10.267 1.00 0.00 C ATOM 0 HA PRO A 37 15.582 41.434 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.952 43.116 -12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.307 42.581 -12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 16.273 45.194 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.997 44.923 -12.295 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.359 45.369 -9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.451 44.183 -10.639 1.00 0.00 H new ATOM 631 N ARG A 38 17.518 41.319 -8.735 1.00 0.00 N ATOM 632 CA ARG A 38 18.749 41.046 -7.969 1.00 0.00 C ATOM 633 C ARG A 38 19.100 42.189 -6.991 1.00 0.00 C ATOM 634 O ARG A 38 19.776 43.159 -7.361 1.00 0.00 O ATOM 635 CB ARG A 38 19.958 40.691 -8.892 1.00 0.00 C ATOM 636 CG ARG A 38 19.874 39.302 -9.561 1.00 0.00 C ATOM 637 CD ARG A 38 19.772 38.155 -8.530 1.00 0.00 C ATOM 638 NE ARG A 38 19.832 36.823 -9.168 1.00 0.00 N ATOM 639 CZ ARG A 38 19.329 35.690 -8.649 1.00 0.00 C ATOM 640 NH1 ARG A 38 18.589 35.710 -7.542 1.00 0.00 N ATOM 641 NH2 ARG A 38 19.543 34.538 -9.268 1.00 0.00 N ATOM 0 H ARG A 38 16.800 40.608 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 38 18.538 40.163 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 38 20.038 41.450 -9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 38 20.874 40.741 -8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.007 39.272 -10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 20.755 39.149 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 38 20.582 38.246 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.838 38.249 -7.976 1.00 0.00 H new ATOM 0 HE ARG A 38 20.293 36.759 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.396 36.595 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.215 34.840 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.086 34.516 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.165 33.673 -8.881 1.00 0.00 H new ATOM 655 N ASN A 39 18.612 42.069 -5.747 1.00 0.00 N ATOM 656 CA ASN A 39 19.067 42.903 -4.619 1.00 0.00 C ATOM 657 C ASN A 39 20.477 42.404 -4.197 1.00 0.00 C ATOM 658 O ASN A 39 20.642 41.200 -3.959 1.00 0.00 O ATOM 659 CB ASN A 39 18.047 42.802 -3.443 1.00 0.00 C ATOM 660 CG ASN A 39 18.315 43.742 -2.251 1.00 0.00 C ATOM 661 OD1 ASN A 39 19.451 44.063 -1.909 1.00 0.00 O ATOM 662 ND2 ASN A 39 17.253 44.204 -1.613 1.00 0.00 N ATOM 0 H ASN A 39 17.892 41.393 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 39 19.128 43.953 -4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.050 43.010 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.039 41.775 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 39 17.369 44.838 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.318 43.926 -1.911 1.00 0.00 H new ATOM 669 N PRO A 40 21.519 43.301 -4.127 1.00 0.00 N ATOM 670 CA PRO A 40 22.924 42.894 -3.817 1.00 0.00 C ATOM 671 C PRO A 40 23.108 42.411 -2.356 1.00 0.00 C ATOM 672 O PRO A 40 24.211 42.013 -1.959 1.00 0.00 O ATOM 673 CB PRO A 40 23.748 44.176 -4.125 1.00 0.00 C ATOM 674 CG PRO A 40 22.779 45.303 -3.932 1.00 0.00 C ATOM 675 CD PRO A 40 21.416 44.771 -4.348 1.00 0.00 C ATOM 0 HA PRO A 40 23.243 42.034 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 40 24.603 44.269 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 40 24.141 44.160 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 40 22.767 45.632 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 40 23.061 46.165 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 40 20.617 45.209 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 40 21.198 45.003 -5.390 1.00 0.00 H new ATOM 683 N ASP A 41 22.020 42.467 -1.569 1.00 0.00 N ATOM 684 CA ASP A 41 21.945 41.873 -0.231 1.00 0.00 C ATOM 685 C ASP A 41 20.601 41.140 -0.097 1.00 0.00 C ATOM 686 O ASP A 41 19.566 41.765 0.151 1.00 0.00 O ATOM 687 CB ASP A 41 22.105 42.954 0.869 1.00 0.00 C ATOM 688 CG ASP A 41 22.228 42.353 2.282 1.00 0.00 C ATOM 689 OD1 ASP A 41 23.363 41.998 2.683 1.00 0.00 O ATOM 690 OD2 ASP A 41 21.212 42.233 3.005 1.00 0.00 O ATOM 0 H ASP A 41 21.158 42.933 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 41 22.762 41.164 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.989 43.555 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.248 43.627 0.838 1.00 0.00 H new ATOM 695 N ASP A 42 20.619 39.821 -0.335 1.00 0.00 N ATOM 696 CA ASP A 42 19.436 38.949 -0.177 1.00 0.00 C ATOM 697 C ASP A 42 19.671 37.989 1.018 1.00 0.00 C ATOM 698 O ASP A 42 20.041 38.476 2.092 1.00 0.00 O ATOM 699 CB ASP A 42 19.124 38.233 -1.533 1.00 0.00 C ATOM 700 CG ASP A 42 20.290 37.386 -2.081 1.00 0.00 C ATOM 701 OD1 ASP A 42 21.242 37.961 -2.652 1.00 0.00 O ATOM 702 OD2 ASP A 42 20.260 36.144 -1.937 1.00 0.00 O ATOM 0 H ASP A 42 21.454 39.323 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 42 18.543 39.526 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.253 37.591 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.855 38.985 -2.275 1.00 0.00 H new ATOM 707 N GLU A 43 19.440 36.654 0.849 1.00 0.00 N ATOM 708 CA GLU A 43 19.593 35.631 1.924 1.00 0.00 C ATOM 709 C GLU A 43 18.573 35.903 3.063 1.00 0.00 C ATOM 710 O GLU A 43 18.764 35.522 4.221 1.00 0.00 O ATOM 711 CB GLU A 43 21.080 35.595 2.432 1.00 0.00 C ATOM 712 CG GLU A 43 21.448 34.424 3.369 1.00 0.00 C ATOM 713 CD GLU A 43 22.878 34.522 3.932 1.00 0.00 C ATOM 714 OE1 GLU A 43 23.098 35.267 4.915 1.00 0.00 O ATOM 715 OE2 GLU A 43 23.792 33.857 3.398 1.00 0.00 O ATOM 0 H GLU A 43 19.141 36.257 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 43 19.372 34.640 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.739 35.560 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.288 36.530 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.740 34.394 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.342 33.485 2.825 1.00 0.00 H new ATOM 722 N ASP A 44 17.449 36.537 2.698 1.00 0.00 N ATOM 723 CA ASP A 44 16.428 36.977 3.656 1.00 0.00 C ATOM 724 C ASP A 44 15.036 36.584 3.148 1.00 0.00 C ATOM 725 O ASP A 44 14.537 37.156 2.168 1.00 0.00 O ATOM 726 CB ASP A 44 16.522 38.515 3.876 1.00 0.00 C ATOM 727 CG ASP A 44 15.591 39.015 4.999 1.00 0.00 C ATOM 728 OD1 ASP A 44 16.017 39.010 6.174 1.00 0.00 O ATOM 729 OD2 ASP A 44 14.422 39.379 4.721 1.00 0.00 O ATOM 0 H ASP A 44 17.223 36.759 1.728 1.00 0.00 H new ATOM 0 HA ASP A 44 16.601 36.486 4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.551 38.781 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.271 39.027 2.947 1.00 0.00 H new ATOM 734 N ARG A 45 14.442 35.566 3.785 1.00 0.00 N ATOM 735 CA ARG A 45 13.029 35.180 3.580 1.00 0.00 C ATOM 736 C ARG A 45 12.314 35.321 4.938 1.00 0.00 C ATOM 737 O ARG A 45 11.480 34.482 5.312 1.00 0.00 O ATOM 738 CB ARG A 45 12.901 33.715 3.025 1.00 0.00 C ATOM 739 CG ARG A 45 13.623 33.413 1.674 1.00 0.00 C ATOM 740 CD ARG A 45 15.131 33.164 1.847 1.00 0.00 C ATOM 741 NE ARG A 45 15.827 32.884 0.579 1.00 0.00 N ATOM 742 CZ ARG A 45 17.129 32.557 0.476 1.00 0.00 C ATOM 743 NH1 ARG A 45 17.905 32.474 1.558 1.00 0.00 N ATOM 744 NH2 ARG A 45 17.654 32.311 -0.715 1.00 0.00 N ATOM 0 H ARG A 45 14.928 34.979 4.463 1.00 0.00 H new ATOM 0 HA ARG A 45 12.570 35.829 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.289 33.030 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.842 33.488 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.166 32.539 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.473 34.250 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.584 34.037 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.278 32.324 2.526 1.00 0.00 H new ATOM 0 HE ARG A 45 15.284 32.942 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.514 32.660 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.889 32.225 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.072 32.370 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.640 32.063 -0.796 1.00 0.00 H new ATOM 758 N ALA A 46 12.658 36.414 5.667 1.00 0.00 N ATOM 759 CA ALA A 46 12.184 36.679 7.043 1.00 0.00 C ATOM 760 C ALA A 46 10.690 37.063 7.056 1.00 0.00 C ATOM 761 O ALA A 46 10.324 38.235 7.237 1.00 0.00 O ATOM 762 CB ALA A 46 13.057 37.764 7.704 1.00 0.00 C ATOM 0 H ALA A 46 13.278 37.140 5.309 1.00 0.00 H new ATOM 0 HA ALA A 46 12.281 35.763 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.700 37.952 8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.092 37.425 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.997 38.684 7.122 1.00 0.00 H new ATOM 768 N SER A 47 9.845 36.042 6.854 1.00 0.00 N ATOM 769 CA SER A 47 8.400 36.186 6.648 1.00 0.00 C ATOM 770 C SER A 47 7.756 34.789 6.587 1.00 0.00 C ATOM 771 O SER A 47 8.471 33.779 6.560 1.00 0.00 O ATOM 772 CB SER A 47 8.120 36.972 5.339 1.00 0.00 C ATOM 773 OG SER A 47 6.760 37.299 5.221 1.00 0.00 O ATOM 0 H SER A 47 10.156 35.071 6.829 1.00 0.00 H new ATOM 0 HA SER A 47 7.968 36.744 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.718 37.883 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.428 36.375 4.481 1.00 0.00 H new ATOM 0 HG SER A 47 6.410 37.565 6.097 1.00 0.00 H new ATOM 779 N GLU A 48 6.399 34.751 6.589 1.00 0.00 N ATOM 780 CA GLU A 48 5.592 33.506 6.474 1.00 0.00 C ATOM 781 C GLU A 48 5.679 32.649 7.773 1.00 0.00 C ATOM 782 O GLU A 48 5.259 31.490 7.798 1.00 0.00 O ATOM 783 CB GLU A 48 6.015 32.708 5.187 1.00 0.00 C ATOM 784 CG GLU A 48 5.006 31.661 4.679 1.00 0.00 C ATOM 785 CD GLU A 48 5.516 30.915 3.434 1.00 0.00 C ATOM 786 OE1 GLU A 48 5.590 31.531 2.347 1.00 0.00 O ATOM 787 OE2 GLU A 48 5.865 29.717 3.537 1.00 0.00 O ATOM 0 H GLU A 48 5.827 35.592 6.671 1.00 0.00 H new ATOM 0 HA GLU A 48 4.541 33.773 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.201 33.423 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.960 32.204 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.801 30.942 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.062 32.153 4.444 1.00 0.00 H new ATOM 794 N ARG A 49 6.189 33.266 8.870 1.00 0.00 N ATOM 795 CA ARG A 49 6.312 32.610 10.200 1.00 0.00 C ATOM 796 C ARG A 49 4.933 32.437 10.861 1.00 0.00 C ATOM 797 O ARG A 49 4.771 31.595 11.748 1.00 0.00 O ATOM 798 CB ARG A 49 7.282 33.405 11.145 1.00 0.00 C ATOM 799 CG ARG A 49 8.786 33.057 10.983 1.00 0.00 C ATOM 800 CD ARG A 49 9.321 33.372 9.582 1.00 0.00 C ATOM 801 NE ARG A 49 10.699 32.902 9.376 1.00 0.00 N ATOM 802 CZ ARG A 49 11.802 33.661 9.468 1.00 0.00 C ATOM 803 NH1 ARG A 49 11.730 34.914 9.904 1.00 0.00 N ATOM 804 NH2 ARG A 49 12.982 33.147 9.152 1.00 0.00 N ATOM 0 H ARG A 49 6.526 34.229 8.859 1.00 0.00 H new ATOM 0 HA ARG A 49 6.740 31.621 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.150 34.471 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.991 33.220 12.179 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.364 33.613 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.934 31.998 11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.671 32.912 8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.281 34.449 9.417 1.00 0.00 H new ATOM 0 HE ARG A 49 10.827 31.917 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.829 35.309 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.576 35.481 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.049 32.178 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.823 33.720 9.220 1.00 0.00 H new ATOM 818 N SER A 50 3.952 33.246 10.426 1.00 0.00 N ATOM 819 CA SER A 50 2.554 33.102 10.838 1.00 0.00 C ATOM 820 C SER A 50 1.831 32.177 9.838 1.00 0.00 C ATOM 821 O SER A 50 1.609 30.996 10.137 1.00 0.00 O ATOM 822 CB SER A 50 1.885 34.495 10.930 1.00 0.00 C ATOM 823 OG SER A 50 2.619 35.368 11.778 1.00 0.00 O ATOM 0 H SER A 50 4.111 34.018 9.778 1.00 0.00 H new ATOM 0 HA SER A 50 2.493 32.649 11.828 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.810 34.931 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.868 34.388 11.308 1.00 0.00 H new ATOM 0 HG SER A 50 2.173 36.240 11.815 1.00 0.00 H new ATOM 829 N ASN A 51 1.489 32.728 8.642 1.00 0.00 N ATOM 830 CA ASN A 51 0.824 31.997 7.524 1.00 0.00 C ATOM 831 C ASN A 51 -0.557 31.396 7.961 1.00 0.00 C ATOM 832 O ASN A 51 -1.169 30.610 7.234 1.00 0.00 O ATOM 833 CB ASN A 51 1.804 30.913 6.946 1.00 0.00 C ATOM 834 CG ASN A 51 1.360 30.287 5.609 1.00 0.00 C ATOM 835 OD1 ASN A 51 1.689 30.781 4.531 1.00 0.00 O ATOM 836 ND2 ASN A 51 0.634 29.187 5.670 1.00 0.00 N ATOM 0 H ASN A 51 1.670 33.708 8.422 1.00 0.00 H new ATOM 0 HA ASN A 51 0.596 32.703 6.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.786 31.367 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.919 30.118 7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.333 28.727 4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.374 28.797 6.576 1.00 0.00 H new ATOM 843 N ASP A 52 -1.056 31.818 9.139 1.00 0.00 N ATOM 844 CA ASP A 52 -2.246 31.226 9.786 1.00 0.00 C ATOM 845 C ASP A 52 -3.541 31.789 9.179 1.00 0.00 C ATOM 846 O ASP A 52 -4.559 31.089 9.075 1.00 0.00 O ATOM 847 CB ASP A 52 -2.179 31.488 11.311 1.00 0.00 C ATOM 848 CG ASP A 52 -3.381 30.919 12.096 1.00 0.00 C ATOM 849 OD1 ASP A 52 -3.468 29.682 12.249 1.00 0.00 O ATOM 850 OD2 ASP A 52 -4.242 31.700 12.551 1.00 0.00 O ATOM 0 H ASP A 52 -0.643 32.583 9.672 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.253 30.150 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.261 31.052 11.705 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.121 32.563 11.483 1.00 0.00 H new ATOM 855 N GLU A 53 -3.474 33.063 8.776 1.00 0.00 N ATOM 856 CA GLU A 53 -4.582 33.773 8.127 1.00 0.00 C ATOM 857 C GLU A 53 -4.746 33.312 6.667 1.00 0.00 C ATOM 858 O GLU A 53 -3.758 32.962 5.999 1.00 0.00 O ATOM 859 CB GLU A 53 -4.342 35.303 8.212 1.00 0.00 C ATOM 860 CG GLU A 53 -4.392 35.867 9.650 1.00 0.00 C ATOM 861 CD GLU A 53 -5.760 35.666 10.320 1.00 0.00 C ATOM 862 OE1 GLU A 53 -6.717 36.381 9.956 1.00 0.00 O ATOM 863 OE2 GLU A 53 -5.894 34.795 11.208 1.00 0.00 O ATOM 0 H GLU A 53 -2.639 33.637 8.893 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.510 33.538 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.370 35.533 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.092 35.812 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.623 35.383 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.157 36.931 9.627 1.00 0.00 H new ATOM 870 N VAL A 54 -6.008 33.295 6.199 1.00 0.00 N ATOM 871 CA VAL A 54 -6.354 32.881 4.829 1.00 0.00 C ATOM 872 C VAL A 54 -5.910 33.964 3.830 1.00 0.00 C ATOM 873 O VAL A 54 -5.209 33.662 2.868 1.00 0.00 O ATOM 874 CB VAL A 54 -7.901 32.608 4.674 1.00 0.00 C ATOM 875 CG1 VAL A 54 -8.235 32.070 3.259 1.00 0.00 C ATOM 876 CG2 VAL A 54 -8.408 31.641 5.775 1.00 0.00 C ATOM 0 H VAL A 54 -6.815 33.568 6.760 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.830 31.949 4.619 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.422 33.557 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.307 31.891 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.934 32.803 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.698 31.137 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.477 31.470 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.877 30.692 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.228 32.080 6.756 1.00 0.00 H new ATOM 886 N LEU A 55 -6.347 35.217 4.105 1.00 0.00 N ATOM 887 CA LEU A 55 -5.985 36.437 3.346 1.00 0.00 C ATOM 888 C LEU A 55 -6.590 36.455 1.909 1.00 0.00 C ATOM 889 O LEU A 55 -6.456 35.500 1.140 1.00 0.00 O ATOM 890 CB LEU A 55 -4.437 36.654 3.331 1.00 0.00 C ATOM 891 CG LEU A 55 -3.924 37.969 2.660 1.00 0.00 C ATOM 892 CD1 LEU A 55 -4.603 39.215 3.262 1.00 0.00 C ATOM 893 CD2 LEU A 55 -2.386 38.078 2.759 1.00 0.00 C ATOM 0 H LEU A 55 -6.978 35.411 4.882 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.434 37.280 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.080 36.634 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.979 35.808 2.818 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.195 37.924 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.222 40.110 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.681 39.150 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.388 39.267 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.055 39.002 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.088 38.082 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.928 37.227 2.255 1.00 0.00 H new ATOM 905 N ASP A 56 -7.253 37.579 1.570 1.00 0.00 N ATOM 906 CA ASP A 56 -7.921 37.788 0.258 1.00 0.00 C ATOM 907 C ASP A 56 -6.954 38.334 -0.810 1.00 0.00 C ATOM 908 O ASP A 56 -7.289 38.355 -2.002 1.00 0.00 O ATOM 909 CB ASP A 56 -9.116 38.761 0.432 1.00 0.00 C ATOM 910 CG ASP A 56 -10.226 38.182 1.324 1.00 0.00 C ATOM 911 OD1 ASP A 56 -10.106 38.258 2.563 1.00 0.00 O ATOM 912 OD2 ASP A 56 -11.212 37.622 0.790 1.00 0.00 O ATOM 0 H ASP A 56 -7.344 38.376 2.200 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.274 36.817 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.759 39.696 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.530 39.000 -0.547 1.00 0.00 H new ATOM 917 N GLU A 57 -5.752 38.768 -0.376 1.00 0.00 N ATOM 918 CA GLU A 57 -4.718 39.344 -1.272 1.00 0.00 C ATOM 919 C GLU A 57 -3.902 38.247 -1.990 1.00 0.00 C ATOM 920 O GLU A 57 -2.946 38.552 -2.719 1.00 0.00 O ATOM 921 CB GLU A 57 -3.779 40.285 -0.467 1.00 0.00 C ATOM 922 CG GLU A 57 -4.484 41.513 0.151 1.00 0.00 C ATOM 923 CD GLU A 57 -3.523 42.461 0.890 1.00 0.00 C ATOM 924 OE1 GLU A 57 -3.248 42.231 2.088 1.00 0.00 O ATOM 925 OE2 GLU A 57 -3.021 43.432 0.269 1.00 0.00 O ATOM 0 H GLU A 57 -5.468 38.731 0.603 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.229 39.922 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.308 39.712 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.981 40.632 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.993 42.066 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.251 41.171 0.846 1.00 0.00 H new ATOM 932 N LEU A 58 -4.280 36.972 -1.777 1.00 0.00 N ATOM 933 CA LEU A 58 -3.666 35.836 -2.481 1.00 0.00 C ATOM 934 C LEU A 58 -4.394 35.610 -3.822 1.00 0.00 C ATOM 935 O LEU A 58 -5.567 35.989 -3.967 1.00 0.00 O ATOM 936 CB LEU A 58 -3.733 34.538 -1.622 1.00 0.00 C ATOM 937 CG LEU A 58 -3.371 34.640 -0.101 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.232 33.236 0.530 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.112 35.488 0.160 1.00 0.00 C ATOM 0 H LEU A 58 -5.012 36.705 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.617 36.069 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.745 34.140 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.067 33.804 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.200 35.158 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.980 33.335 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.174 32.697 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.443 32.684 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.912 35.522 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.260 35.043 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.272 36.500 -0.211 1.00 0.00 H new ATOM 951 N GLY A 59 -3.701 35.002 -4.793 1.00 0.00 N ATOM 952 CA GLY A 59 -4.328 34.601 -6.057 1.00 0.00 C ATOM 953 C GLY A 59 -4.953 33.218 -5.944 1.00 0.00 C ATOM 954 O GLY A 59 -4.319 32.319 -5.406 1.00 0.00 O ATOM 0 H GLY A 59 -2.708 34.778 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.092 35.327 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.583 34.603 -6.853 1.00 0.00 H new ATOM 958 N GLN A 60 -6.185 33.059 -6.471 1.00 0.00 N ATOM 959 CA GLN A 60 -6.977 31.805 -6.392 1.00 0.00 C ATOM 960 C GLN A 60 -6.213 30.605 -6.993 1.00 0.00 C ATOM 961 O GLN A 60 -6.069 29.556 -6.354 1.00 0.00 O ATOM 962 CB GLN A 60 -8.323 31.978 -7.149 1.00 0.00 C ATOM 963 CG GLN A 60 -9.199 33.146 -6.661 1.00 0.00 C ATOM 964 CD GLN A 60 -10.471 33.320 -7.495 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.497 34.064 -8.470 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.522 32.606 -7.134 1.00 0.00 N ATOM 0 H GLN A 60 -6.668 33.806 -6.971 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.161 31.602 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.111 32.121 -8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.894 31.054 -7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.473 32.979 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.619 34.068 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.469 31.996 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.387 32.664 -7.671 1.00 0.00 H new ATOM 975 N VAL A 61 -5.727 30.799 -8.235 1.00 0.00 N ATOM 976 CA VAL A 61 -4.934 29.799 -8.981 1.00 0.00 C ATOM 977 C VAL A 61 -3.594 29.556 -8.276 1.00 0.00 C ATOM 978 O VAL A 61 -3.092 28.444 -8.272 1.00 0.00 O ATOM 979 CB VAL A 61 -4.692 30.254 -10.476 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.926 29.181 -11.294 1.00 0.00 C ATOM 981 CG2 VAL A 61 -6.033 30.619 -11.162 1.00 0.00 C ATOM 0 H VAL A 61 -5.875 31.664 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.501 28.868 -9.003 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.064 31.144 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.782 29.536 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.955 28.997 -10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.502 28.256 -11.309 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.843 30.929 -12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.691 29.750 -11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.509 31.435 -10.619 1.00 0.00 H new ATOM 991 N GLY A 62 -3.050 30.615 -7.661 1.00 0.00 N ATOM 992 CA GLY A 62 -1.805 30.528 -6.902 1.00 0.00 C ATOM 993 C GLY A 62 -1.944 29.628 -5.683 1.00 0.00 C ATOM 994 O GLY A 62 -1.056 28.843 -5.406 1.00 0.00 O ATOM 0 H GLY A 62 -3.461 31.548 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.013 30.146 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.504 31.526 -6.584 1.00 0.00 H new ATOM 998 N GLN A 63 -3.106 29.728 -4.999 1.00 0.00 N ATOM 999 CA GLN A 63 -3.426 28.955 -3.775 1.00 0.00 C ATOM 1000 C GLN A 63 -3.777 27.493 -4.107 1.00 0.00 C ATOM 1001 O GLN A 63 -3.432 26.579 -3.363 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.638 29.590 -3.041 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.414 31.006 -2.496 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.691 31.621 -1.909 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -5.926 31.416 -0.620 1.00 0.00 O flip ATOM 1006 NE2 GLN A 63 -6.460 32.273 -2.614 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.858 30.355 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.540 28.976 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.484 29.614 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.919 28.941 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.642 30.977 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.042 31.645 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.251 32.413 -3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.307 32.674 -2.210 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.496 27.302 -5.220 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.038 25.977 -5.616 1.00 0.00 C ATOM 1017 C ASP A 64 -3.962 25.121 -6.294 1.00 0.00 C ATOM 1018 O ASP A 64 -3.925 23.900 -6.116 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.268 26.135 -6.542 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.921 24.780 -6.916 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.499 24.120 -6.017 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -6.830 24.356 -8.092 1.00 0.00 O ATOM 0 H ASP A 64 -4.723 28.051 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.357 25.466 -4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.008 26.765 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.966 26.651 -7.454 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.098 25.776 -7.081 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.929 25.123 -7.692 1.00 0.00 C ATOM 1029 C GLU A 65 -0.912 24.792 -6.589 1.00 0.00 C ATOM 1030 O GLU A 65 -0.273 23.745 -6.631 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.313 26.022 -8.794 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.161 25.378 -9.582 1.00 0.00 C ATOM 1033 CD GLU A 65 0.297 26.205 -10.800 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.287 26.035 -11.897 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.231 27.023 -10.669 1.00 0.00 O ATOM 0 H GLU A 65 -3.187 26.766 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.233 24.195 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.099 26.305 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.950 26.941 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.687 25.232 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.473 24.390 -9.921 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.821 25.699 -5.588 1.00 0.00 N ATOM 1043 CA LEU A 66 -0.038 25.493 -4.347 1.00 0.00 C ATOM 1044 C LEU A 66 -0.533 24.226 -3.620 1.00 0.00 C ATOM 1045 O LEU A 66 0.254 23.390 -3.220 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.211 26.727 -3.414 1.00 0.00 C ATOM 1047 CG LEU A 66 0.964 27.108 -2.472 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.208 27.512 -3.281 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.526 28.242 -1.518 1.00 0.00 C ATOM 0 H LEU A 66 -1.293 26.602 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 66 1.015 25.372 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.427 27.591 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.091 26.555 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 66 1.232 26.237 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.016 27.774 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.520 26.678 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.971 28.371 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.355 28.504 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.235 29.116 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.321 27.907 -0.919 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.872 24.135 -3.488 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.587 22.993 -2.869 1.00 0.00 C ATOM 1063 C ARG A 67 -2.240 21.671 -3.575 1.00 0.00 C ATOM 1064 O ARG A 67 -1.992 20.665 -2.918 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.119 23.269 -2.932 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.046 22.061 -2.664 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.522 22.419 -2.889 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.408 21.245 -2.804 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.537 21.087 -3.515 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.908 21.991 -4.414 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.287 20.014 -3.334 1.00 0.00 N ATOM 0 H ARG A 67 -2.502 24.867 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.275 22.893 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.356 24.049 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.354 23.668 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.767 21.236 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.907 21.715 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.830 23.157 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.634 22.884 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.146 20.499 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.333 22.819 -4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.768 21.858 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.009 19.306 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.144 19.894 -3.874 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.226 21.706 -4.922 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.904 20.538 -5.766 1.00 0.00 C ATOM 1087 C ALA A 68 -0.439 20.113 -5.572 1.00 0.00 C ATOM 1088 O ALA A 68 -0.124 18.916 -5.562 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.180 20.861 -7.243 1.00 0.00 C ATOM 0 H ALA A 68 -2.438 22.548 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.541 19.707 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.939 19.993 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.233 21.114 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.564 21.706 -7.552 1.00 0.00 H new ATOM 1095 N ILE A 69 0.445 21.124 -5.426 1.00 0.00 N ATOM 1096 CA ILE A 69 1.880 20.919 -5.171 1.00 0.00 C ATOM 1097 C ILE A 69 2.091 20.270 -3.789 1.00 0.00 C ATOM 1098 O ILE A 69 2.777 19.261 -3.680 1.00 0.00 O ATOM 1099 CB ILE A 69 2.678 22.285 -5.266 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.717 22.809 -6.743 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.106 22.156 -4.688 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.369 24.172 -6.935 1.00 0.00 C ATOM 0 H ILE A 69 0.178 22.107 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 69 2.267 20.248 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 69 2.145 23.016 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.249 22.081 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.696 22.857 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.620 23.113 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.049 21.865 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.657 21.398 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.344 24.442 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.826 24.920 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.404 24.131 -6.595 1.00 0.00 H new ATOM 1114 N ASP A 70 1.465 20.864 -2.756 1.00 0.00 N ATOM 1115 CA ASP A 70 1.602 20.439 -1.346 1.00 0.00 C ATOM 1116 C ASP A 70 0.943 19.074 -1.100 1.00 0.00 C ATOM 1117 O ASP A 70 1.377 18.339 -0.215 1.00 0.00 O ATOM 1118 CB ASP A 70 1.009 21.514 -0.383 1.00 0.00 C ATOM 1119 CG ASP A 70 1.937 22.731 -0.208 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.893 22.635 0.589 1.00 0.00 O ATOM 1121 OD2 ASP A 70 1.730 23.779 -0.856 1.00 0.00 O ATOM 0 H ASP A 70 0.842 21.662 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 70 2.667 20.336 -1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.046 21.849 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.823 21.061 0.591 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.099 18.755 -1.889 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.782 17.443 -1.848 1.00 0.00 C ATOM 1128 C ALA A 71 0.170 16.350 -2.355 1.00 0.00 C ATOM 1129 O ALA A 71 0.308 15.282 -1.743 1.00 0.00 O ATOM 1130 CB ALA A 71 -2.074 17.472 -2.692 1.00 0.00 C ATOM 0 H ALA A 71 -0.494 19.398 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.060 17.222 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.560 16.497 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.749 18.232 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.827 17.707 -3.727 1.00 0.00 H new ATOM 1136 N ALA A 72 0.847 16.667 -3.470 1.00 0.00 N ATOM 1137 CA ALA A 72 1.849 15.794 -4.090 1.00 0.00 C ATOM 1138 C ALA A 72 3.062 15.601 -3.148 1.00 0.00 C ATOM 1139 O ALA A 72 3.489 14.466 -2.927 1.00 0.00 O ATOM 1140 CB ALA A 72 2.269 16.382 -5.449 1.00 0.00 C ATOM 0 H ALA A 72 0.711 17.546 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 72 1.417 14.808 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.014 15.734 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.397 16.454 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.694 17.375 -5.300 1.00 0.00 H new ATOM 1146 N LEU A 73 3.551 16.719 -2.560 1.00 0.00 N ATOM 1147 CA LEU A 73 4.696 16.739 -1.609 1.00 0.00 C ATOM 1148 C LEU A 73 4.374 15.966 -0.316 1.00 0.00 C ATOM 1149 O LEU A 73 5.264 15.348 0.280 1.00 0.00 O ATOM 1150 CB LEU A 73 5.096 18.199 -1.250 1.00 0.00 C ATOM 1151 CG LEU A 73 5.721 19.051 -2.399 1.00 0.00 C ATOM 1152 CD1 LEU A 73 5.962 20.501 -1.942 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.023 18.418 -2.936 1.00 0.00 C ATOM 0 H LEU A 73 3.159 17.645 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 73 5.531 16.249 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.209 18.716 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.807 18.165 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 73 5.003 19.067 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.398 21.073 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.014 20.952 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.645 20.506 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.428 19.040 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.752 18.344 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.810 17.422 -3.325 1.00 0.00 H new ATOM 1165 N ALA A 74 3.093 16.032 0.101 1.00 0.00 N ATOM 1166 CA ALA A 74 2.575 15.295 1.273 1.00 0.00 C ATOM 1167 C ALA A 74 2.720 13.788 1.048 1.00 0.00 C ATOM 1168 O ALA A 74 3.128 13.046 1.948 1.00 0.00 O ATOM 1169 CB ALA A 74 1.097 15.652 1.532 1.00 0.00 C ATOM 0 H ALA A 74 2.386 16.600 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 74 3.157 15.584 2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.736 15.099 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.009 16.722 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.501 15.388 0.659 1.00 0.00 H new ATOM 1175 N ARG A 75 2.397 13.368 -0.190 1.00 0.00 N ATOM 1176 CA ARG A 75 2.497 11.968 -0.605 1.00 0.00 C ATOM 1177 C ARG A 75 3.958 11.541 -0.836 1.00 0.00 C ATOM 1178 O ARG A 75 4.258 10.366 -0.728 1.00 0.00 O ATOM 1179 CB ARG A 75 1.634 11.696 -1.864 1.00 0.00 C ATOM 1180 CG ARG A 75 0.140 12.007 -1.666 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.773 11.415 -2.758 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.935 9.952 -2.604 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.881 9.346 -1.855 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.717 10.052 -1.100 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.965 8.024 -1.846 1.00 0.00 N ATOM 0 H ARG A 75 2.061 13.992 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 75 2.107 11.361 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.015 12.295 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.744 10.650 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.175 11.623 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.005 13.088 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.750 11.896 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.354 11.633 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.279 9.353 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.650 11.070 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.425 9.576 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.317 7.468 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.678 7.562 -1.282 1.00 0.00 H new ATOM 1199 N ILE A 76 4.866 12.487 -1.158 1.00 0.00 N ATOM 1200 CA ILE A 76 6.311 12.164 -1.289 1.00 0.00 C ATOM 1201 C ILE A 76 6.894 11.800 0.086 1.00 0.00 C ATOM 1202 O ILE A 76 7.615 10.805 0.220 1.00 0.00 O ATOM 1203 CB ILE A 76 7.156 13.331 -1.924 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.540 13.751 -3.285 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.632 12.896 -2.099 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.238 14.864 -4.027 1.00 0.00 C ATOM 0 H ILE A 76 4.634 13.465 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 76 6.377 11.316 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 76 7.134 14.190 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.513 12.874 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.507 14.052 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.203 13.714 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.054 12.641 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.680 12.026 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.713 15.064 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.242 15.764 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.264 14.569 -4.244 1.00 0.00 H new ATOM 1218 N ALA A 77 6.537 12.614 1.096 1.00 0.00 N ATOM 1219 CA ALA A 77 6.898 12.370 2.506 1.00 0.00 C ATOM 1220 C ALA A 77 6.294 11.037 2.992 1.00 0.00 C ATOM 1221 O ALA A 77 6.945 10.261 3.699 1.00 0.00 O ATOM 1222 CB ALA A 77 6.419 13.545 3.380 1.00 0.00 C ATOM 0 H ALA A 77 5.988 13.463 0.958 1.00 0.00 H new ATOM 0 HA ALA A 77 7.982 12.297 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.689 13.359 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.893 14.467 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.336 13.642 3.298 1.00 0.00 H new ATOM 1228 N SER A 78 5.054 10.779 2.548 1.00 0.00 N ATOM 1229 CA SER A 78 4.302 9.561 2.879 1.00 0.00 C ATOM 1230 C SER A 78 4.774 8.345 2.032 1.00 0.00 C ATOM 1231 O SER A 78 4.388 7.212 2.313 1.00 0.00 O ATOM 1232 CB SER A 78 2.792 9.835 2.675 1.00 0.00 C ATOM 1233 OG SER A 78 1.985 8.749 3.090 1.00 0.00 O ATOM 0 H SER A 78 4.540 11.419 1.942 1.00 0.00 H new ATOM 0 HA SER A 78 4.487 9.302 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.509 10.728 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.602 10.043 1.622 1.00 0.00 H new ATOM 0 HG SER A 78 2.512 7.923 3.069 1.00 0.00 H new ATOM 1239 N GLY A 79 5.604 8.594 0.995 1.00 0.00 N ATOM 1240 CA GLY A 79 6.149 7.522 0.139 1.00 0.00 C ATOM 1241 C GLY A 79 5.144 6.976 -0.883 1.00 0.00 C ATOM 1242 O GLY A 79 5.398 5.958 -1.522 1.00 0.00 O ATOM 0 H GLY A 79 5.910 9.531 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.022 7.902 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.491 6.703 0.772 1.00 0.00 H new ATOM 1246 N THR A 80 3.998 7.662 -1.021 1.00 0.00 N ATOM 1247 CA THR A 80 2.903 7.293 -1.938 1.00 0.00 C ATOM 1248 C THR A 80 2.668 8.402 -3.004 1.00 0.00 C ATOM 1249 O THR A 80 1.553 8.572 -3.509 1.00 0.00 O ATOM 1250 CB THR A 80 1.593 6.999 -1.111 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.503 6.662 -1.981 1.00 0.00 O ATOM 1252 CG2 THR A 80 1.175 8.181 -0.211 1.00 0.00 C ATOM 0 H THR A 80 3.801 8.508 -0.487 1.00 0.00 H new ATOM 0 HA THR A 80 3.182 6.387 -2.476 1.00 0.00 H new ATOM 0 HB THR A 80 1.829 6.153 -0.465 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.459 7.308 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.267 7.920 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.974 8.399 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.988 9.060 -0.828 1.00 0.00 H new ATOM 1260 N PHE A 81 3.729 9.167 -3.342 1.00 0.00 N ATOM 1261 CA PHE A 81 3.707 10.120 -4.481 1.00 0.00 C ATOM 1262 C PHE A 81 3.268 9.439 -5.790 1.00 0.00 C ATOM 1263 O PHE A 81 3.531 8.243 -6.011 1.00 0.00 O ATOM 1264 CB PHE A 81 5.087 10.789 -4.693 1.00 0.00 C ATOM 1265 CG PHE A 81 5.135 11.749 -5.913 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.455 12.971 -5.895 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.830 11.408 -7.075 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.475 13.814 -6.990 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.842 12.250 -8.168 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.170 13.456 -8.123 1.00 0.00 C ATOM 0 H PHE A 81 4.617 9.145 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 81 2.977 10.887 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.353 11.345 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.841 10.013 -4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.906 13.260 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.366 10.471 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.945 14.754 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.378 11.965 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.190 14.118 -8.976 1.00 0.00 H new ATOM 1280 N GLY A 82 2.614 10.242 -6.647 1.00 0.00 N ATOM 1281 CA GLY A 82 2.122 9.786 -7.921 1.00 0.00 C ATOM 1282 C GLY A 82 0.966 8.829 -7.748 1.00 0.00 C ATOM 1283 O GLY A 82 0.894 7.819 -8.414 1.00 0.00 O ATOM 0 H GLY A 82 2.421 11.225 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.804 10.641 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.926 9.295 -8.470 1.00 0.00 H new ATOM 1287 N THR A 83 0.058 9.141 -6.819 1.00 0.00 N ATOM 1288 CA THR A 83 -1.147 8.334 -6.595 1.00 0.00 C ATOM 1289 C THR A 83 -2.390 9.222 -6.711 1.00 0.00 C ATOM 1290 O THR A 83 -2.633 10.099 -5.873 1.00 0.00 O ATOM 1291 CB THR A 83 -1.122 7.608 -5.216 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.100 6.865 -5.099 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.322 6.653 -5.050 1.00 0.00 C ATOM 0 H THR A 83 0.135 9.952 -6.206 1.00 0.00 H new ATOM 0 HA THR A 83 -1.177 7.559 -7.361 1.00 0.00 H new ATOM 0 HB THR A 83 -1.187 8.363 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.782 7.422 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.268 6.167 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.250 7.220 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.297 5.897 -5.835 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.121 9.005 -7.805 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.427 9.598 -8.065 1.00 0.00 C ATOM 1303 C CYS A 84 -5.446 9.148 -7.009 1.00 0.00 C ATOM 1304 O CYS A 84 -6.004 8.049 -7.104 1.00 0.00 O ATOM 1305 CB CYS A 84 -4.888 9.176 -9.462 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.502 9.808 -9.977 1.00 0.00 S ATOM 0 H CYS A 84 -2.807 8.391 -8.557 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.350 10.684 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.142 9.504 -10.186 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.914 8.087 -9.503 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.661 10.025 -6.013 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.518 9.754 -4.839 1.00 0.00 C ATOM 1313 C VAL A 85 -7.999 9.535 -5.229 1.00 0.00 C ATOM 1314 O VAL A 85 -8.741 8.870 -4.505 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.409 10.923 -3.784 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.971 11.033 -3.221 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.870 12.277 -4.387 1.00 0.00 C ATOM 0 H VAL A 85 -5.241 10.954 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.153 8.829 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.079 10.682 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.925 11.846 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.699 10.097 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.275 11.233 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.782 13.060 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.244 12.526 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.909 12.198 -4.708 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.391 10.084 -6.397 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.777 10.026 -6.898 1.00 0.00 C ATOM 1329 C LYS A 86 -10.197 8.585 -7.281 1.00 0.00 C ATOM 1330 O LYS A 86 -11.382 8.254 -7.247 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.941 10.993 -8.109 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.402 11.426 -8.383 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.543 12.406 -9.574 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.936 13.050 -9.666 1.00 0.00 C ATOM 1335 NZ LYS A 86 -14.030 12.044 -9.777 1.00 0.00 N ATOM 0 H LYS A 86 -7.753 10.581 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.439 10.344 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.337 11.883 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.544 10.510 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.005 10.539 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.808 11.895 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.792 13.191 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.334 11.873 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.105 13.668 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.969 13.713 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.941 12.533 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.861 11.437 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.052 11.459 -8.917 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.212 7.736 -7.642 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.473 6.323 -8.030 1.00 0.00 C ATOM 1351 C CYS A 87 -8.497 5.354 -7.337 1.00 0.00 C ATOM 1352 O CYS A 87 -8.534 4.147 -7.596 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.399 6.159 -9.568 1.00 0.00 C ATOM 1354 SG CYS A 87 -7.758 6.468 -10.295 1.00 0.00 S ATOM 0 H CYS A 87 -8.227 7.999 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.480 6.071 -7.698 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.710 5.147 -9.826 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.117 6.839 -10.026 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.642 5.899 -6.444 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.645 5.111 -5.706 1.00 0.00 C ATOM 1361 C GLY A 88 -5.616 4.402 -6.590 1.00 0.00 C ATOM 1362 O GLY A 88 -5.091 3.357 -6.202 1.00 0.00 O ATOM 0 H GLY A 88 -7.628 6.894 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.119 5.770 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.163 4.365 -5.104 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.324 4.973 -7.778 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.392 4.361 -8.762 1.00 0.00 C ATOM 1368 C LYS A 89 -3.164 5.255 -8.973 1.00 0.00 C ATOM 1369 O LYS A 89 -3.170 6.417 -8.586 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.096 4.112 -10.133 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.301 3.136 -10.088 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.752 2.659 -11.499 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.055 3.815 -12.472 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.543 3.327 -13.793 1.00 0.00 N ATOM 0 H LYS A 89 -5.720 5.862 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.074 3.401 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.438 5.069 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.360 3.723 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.036 2.268 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.139 3.625 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.972 2.029 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.642 2.038 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.804 4.472 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.154 4.411 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.218 3.971 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.169 2.373 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.583 3.296 -13.789 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.132 4.683 -9.609 1.00 0.00 N ATOM 1389 CA ARG A 90 -0.884 5.378 -9.968 1.00 0.00 C ATOM 1390 C ARG A 90 -1.139 6.463 -11.051 1.00 0.00 C ATOM 1391 O ARG A 90 -2.045 6.329 -11.890 1.00 0.00 O ATOM 1392 CB ARG A 90 0.151 4.317 -10.471 1.00 0.00 C ATOM 1393 CG ARG A 90 1.534 4.852 -10.924 1.00 0.00 C ATOM 1394 CD ARG A 90 2.373 5.452 -9.785 1.00 0.00 C ATOM 1395 NE ARG A 90 2.766 4.455 -8.770 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.476 4.515 -7.458 1.00 0.00 C ATOM 1397 NH1 ARG A 90 1.684 5.460 -6.967 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.974 3.608 -6.641 1.00 0.00 N ATOM 0 H ARG A 90 -2.140 3.704 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.487 5.889 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.311 3.593 -9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.295 3.776 -11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.094 4.038 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.385 5.612 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.270 5.909 -10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.805 6.248 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 90 3.304 3.651 -9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.281 6.161 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.478 5.485 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.574 2.868 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.759 3.646 -5.645 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.366 7.557 -10.971 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.298 8.597 -12.002 1.00 0.00 C ATOM 1414 C ILE A 91 0.745 8.156 -13.055 1.00 0.00 C ATOM 1415 O ILE A 91 1.771 7.563 -12.701 1.00 0.00 O ATOM 1416 CB ILE A 91 0.143 9.997 -11.403 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.795 10.489 -10.245 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.223 11.060 -12.513 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.120 11.080 -10.679 1.00 0.00 C ATOM 0 H ILE A 91 0.240 7.744 -10.172 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.289 8.719 -12.439 1.00 0.00 H new ATOM 0 HB ILE A 91 1.132 9.852 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.994 9.648 -9.581 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.259 11.237 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.527 12.014 -12.082 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.953 10.751 -13.261 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.754 11.169 -12.983 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.687 11.386 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.941 11.947 -11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.687 10.333 -11.234 1.00 0.00 H new ATOM 1431 N SER A 92 0.486 8.472 -14.329 1.00 0.00 N ATOM 1432 CA SER A 92 1.420 8.187 -15.430 1.00 0.00 C ATOM 1433 C SER A 92 2.671 9.072 -15.270 1.00 0.00 C ATOM 1434 O SER A 92 2.540 10.224 -14.861 1.00 0.00 O ATOM 1435 CB SER A 92 0.724 8.480 -16.784 1.00 0.00 C ATOM 1436 OG SER A 92 -0.585 7.934 -16.815 1.00 0.00 O ATOM 0 H SER A 92 -0.374 8.931 -14.628 1.00 0.00 H new ATOM 0 HA SER A 92 1.718 7.139 -15.407 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.676 9.557 -16.946 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.315 8.061 -17.598 1.00 0.00 H new ATOM 0 HG SER A 92 -1.003 8.134 -17.679 1.00 0.00 H new ATOM 1442 N GLU A 93 3.873 8.542 -15.578 1.00 0.00 N ATOM 1443 CA GLU A 93 5.115 9.355 -15.575 1.00 0.00 C ATOM 1444 C GLU A 93 5.012 10.480 -16.629 1.00 0.00 C ATOM 1445 O GLU A 93 5.613 11.537 -16.477 1.00 0.00 O ATOM 1446 CB GLU A 93 6.366 8.478 -15.839 1.00 0.00 C ATOM 1447 CG GLU A 93 7.709 9.230 -15.686 1.00 0.00 C ATOM 1448 CD GLU A 93 8.931 8.393 -16.098 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.434 7.596 -15.273 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.376 8.514 -17.262 1.00 0.00 O ATOM 0 H GLU A 93 4.013 7.564 -15.830 1.00 0.00 H new ATOM 0 HA GLU A 93 5.227 9.801 -14.587 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.355 7.632 -15.151 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.304 8.069 -16.848 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.679 10.137 -16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.825 9.542 -14.648 1.00 0.00 H new ATOM 1457 N ASP A 94 4.238 10.200 -17.694 1.00 0.00 N ATOM 1458 CA ASP A 94 3.816 11.190 -18.706 1.00 0.00 C ATOM 1459 C ASP A 94 3.069 12.362 -18.059 1.00 0.00 C ATOM 1460 O ASP A 94 3.420 13.521 -18.280 1.00 0.00 O ATOM 1461 CB ASP A 94 2.907 10.490 -19.750 1.00 0.00 C ATOM 1462 CG ASP A 94 2.122 11.449 -20.674 1.00 0.00 C ATOM 1463 OD1 ASP A 94 2.694 11.942 -21.665 1.00 0.00 O ATOM 1464 OD2 ASP A 94 0.924 11.704 -20.409 1.00 0.00 O ATOM 0 H ASP A 94 3.881 9.263 -17.880 1.00 0.00 H new ATOM 0 HA ASP A 94 4.703 11.592 -19.195 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.523 9.837 -20.368 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.196 9.853 -19.223 1.00 0.00 H new ATOM 1469 N ARG A 95 2.038 12.022 -17.273 1.00 0.00 N ATOM 1470 CA ARG A 95 1.202 13.003 -16.576 1.00 0.00 C ATOM 1471 C ARG A 95 2.049 13.786 -15.553 1.00 0.00 C ATOM 1472 O ARG A 95 1.843 14.969 -15.377 1.00 0.00 O ATOM 1473 CB ARG A 95 0.012 12.289 -15.877 1.00 0.00 C ATOM 1474 CG ARG A 95 -1.006 13.225 -15.154 1.00 0.00 C ATOM 1475 CD ARG A 95 -2.155 13.734 -16.047 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.686 14.530 -17.201 1.00 0.00 N ATOM 1477 CZ ARG A 95 -2.196 15.706 -17.595 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.154 16.310 -16.901 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -1.716 16.289 -18.677 1.00 0.00 N ATOM 0 H ARG A 95 1.761 11.055 -17.104 1.00 0.00 H new ATOM 0 HA ARG A 95 0.799 13.710 -17.302 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.526 11.704 -16.623 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.412 11.585 -15.148 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.432 12.690 -14.305 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.468 14.084 -14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.729 12.882 -16.411 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.832 14.341 -15.446 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.909 14.153 -17.743 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.516 15.880 -16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.528 17.204 -17.219 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.964 15.845 -19.205 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.097 17.184 -18.986 1.00 0.00 H new ATOM 1493 N LEU A 96 3.024 13.101 -14.919 1.00 0.00 N ATOM 1494 CA LEU A 96 3.912 13.701 -13.901 1.00 0.00 C ATOM 1495 C LEU A 96 4.941 14.659 -14.531 1.00 0.00 C ATOM 1496 O LEU A 96 5.247 15.701 -13.964 1.00 0.00 O ATOM 1497 CB LEU A 96 4.659 12.599 -13.108 1.00 0.00 C ATOM 1498 CG LEU A 96 3.788 11.731 -12.158 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.603 10.583 -11.539 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.115 12.592 -11.063 1.00 0.00 C ATOM 0 H LEU A 96 3.218 12.116 -15.099 1.00 0.00 H new ATOM 0 HA LEU A 96 3.277 14.273 -13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.152 11.938 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.443 13.073 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 96 2.996 11.286 -12.761 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.963 9.996 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.991 9.943 -12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.434 10.994 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.514 11.953 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.882 13.090 -10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.475 13.340 -11.531 1.00 0.00 H new ATOM 1512 N LYS A 97 5.500 14.281 -15.690 1.00 0.00 N ATOM 1513 CA LYS A 97 6.543 15.086 -16.365 1.00 0.00 C ATOM 1514 C LYS A 97 5.903 16.317 -17.032 1.00 0.00 C ATOM 1515 O LYS A 97 6.550 17.354 -17.195 1.00 0.00 O ATOM 1516 CB LYS A 97 7.361 14.236 -17.378 1.00 0.00 C ATOM 1517 CG LYS A 97 6.652 13.875 -18.698 1.00 0.00 C ATOM 1518 CD LYS A 97 7.499 12.961 -19.637 1.00 0.00 C ATOM 1519 CE LYS A 97 7.765 11.532 -19.091 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.787 11.481 -18.002 1.00 0.00 N ATOM 0 H LYS A 97 5.251 13.424 -16.184 1.00 0.00 H new ATOM 0 HA LYS A 97 7.253 15.433 -15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.276 14.778 -17.618 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.659 13.310 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.712 13.373 -18.469 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.402 14.794 -19.229 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.989 12.879 -20.597 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.457 13.446 -19.826 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.829 11.116 -18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.092 10.895 -19.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.196 10.526 -17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.540 12.171 -18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.337 11.711 -17.093 1.00 0.00 H new ATOM 1534 N ALA A 98 4.621 16.162 -17.413 1.00 0.00 N ATOM 1535 CA ALA A 98 3.783 17.250 -17.942 1.00 0.00 C ATOM 1536 C ALA A 98 3.328 18.194 -16.808 1.00 0.00 C ATOM 1537 O ALA A 98 3.388 19.416 -16.937 1.00 0.00 O ATOM 1538 CB ALA A 98 2.576 16.650 -18.681 1.00 0.00 C ATOM 0 H ALA A 98 4.134 15.267 -17.361 1.00 0.00 H new ATOM 0 HA ALA A 98 4.368 17.844 -18.644 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.954 17.454 -19.074 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.926 16.027 -19.504 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.991 16.043 -17.990 1.00 0.00 H new ATOM 1544 N VAL A 99 2.914 17.591 -15.684 1.00 0.00 N ATOM 1545 CA VAL A 99 2.397 18.296 -14.498 1.00 0.00 C ATOM 1546 C VAL A 99 2.691 17.439 -13.236 1.00 0.00 C ATOM 1547 O VAL A 99 2.023 16.450 -13.003 1.00 0.00 O ATOM 1548 CB VAL A 99 0.847 18.643 -14.640 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.006 17.441 -15.124 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.272 19.222 -13.324 1.00 0.00 C ATOM 0 H VAL A 99 2.929 16.578 -15.570 1.00 0.00 H new ATOM 0 HA VAL A 99 2.907 19.255 -14.402 1.00 0.00 H new ATOM 0 HB VAL A 99 0.784 19.407 -15.415 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.051 17.743 -15.200 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.349 17.113 -16.101 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.084 16.621 -14.412 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.786 19.447 -13.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.390 18.492 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.807 20.135 -13.064 1.00 0.00 H new ATOM 1560 N PRO A 100 3.769 17.755 -12.446 1.00 0.00 N ATOM 1561 CA PRO A 100 4.118 16.991 -11.209 1.00 0.00 C ATOM 1562 C PRO A 100 3.070 17.136 -10.080 1.00 0.00 C ATOM 1563 O PRO A 100 2.947 16.256 -9.217 1.00 0.00 O ATOM 1564 CB PRO A 100 5.502 17.574 -10.785 1.00 0.00 C ATOM 1565 CG PRO A 100 5.995 18.356 -11.974 1.00 0.00 C ATOM 1566 CD PRO A 100 4.760 18.823 -12.719 1.00 0.00 C ATOM 0 HA PRO A 100 4.144 15.918 -11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.405 18.214 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.199 16.778 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.602 19.204 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.623 17.736 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.416 19.792 -12.358 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.951 18.930 -13.787 1.00 0.00 H new ATOM 1574 N TYR A 101 2.318 18.253 -10.112 1.00 0.00 N ATOM 1575 CA TYR A 101 1.282 18.585 -9.110 1.00 0.00 C ATOM 1576 C TYR A 101 -0.103 18.092 -9.575 1.00 0.00 C ATOM 1577 O TYR A 101 -1.080 18.850 -9.638 1.00 0.00 O ATOM 1578 CB TYR A 101 1.298 20.120 -8.805 1.00 0.00 C ATOM 1579 CG TYR A 101 1.249 21.060 -10.029 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.416 21.440 -10.705 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.034 21.569 -10.507 1.00 0.00 C ATOM 1582 CE1 TYR A 101 2.367 22.286 -11.802 1.00 0.00 C ATOM 1583 CE2 TYR A 101 -0.011 22.406 -11.599 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.150 22.762 -12.244 1.00 0.00 C ATOM 1585 OH TYR A 101 1.093 23.605 -13.332 1.00 0.00 O ATOM 0 H TYR A 101 2.412 18.959 -10.842 1.00 0.00 H new ATOM 0 HA TYR A 101 1.505 18.066 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.448 20.350 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.199 20.346 -8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.371 21.067 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.885 21.299 -10.009 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.277 22.571 -12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.960 22.784 -11.950 1.00 0.00 H new ATOM 0 HH TYR A 101 0.689 24.457 -13.065 1.00 0.00 H new ATOM 1595 N THR A 102 -0.182 16.792 -9.888 1.00 0.00 N ATOM 1596 CA THR A 102 -1.411 16.149 -10.368 1.00 0.00 C ATOM 1597 C THR A 102 -1.945 15.134 -9.320 1.00 0.00 C ATOM 1598 O THR A 102 -1.376 14.050 -9.131 1.00 0.00 O ATOM 1599 CB THR A 102 -1.183 15.476 -11.766 1.00 0.00 C ATOM 1600 OG1 THR A 102 -2.340 14.740 -12.168 1.00 0.00 O ATOM 1601 CG2 THR A 102 0.041 14.558 -11.786 1.00 0.00 C ATOM 0 H THR A 102 0.610 16.154 -9.815 1.00 0.00 H new ATOM 0 HA THR A 102 -2.173 16.917 -10.499 1.00 0.00 H new ATOM 0 HB THR A 102 -1.000 16.286 -12.471 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.243 14.464 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.151 14.119 -12.778 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.933 15.136 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.088 13.764 -11.050 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.027 15.503 -8.555 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.773 14.547 -7.704 1.00 0.00 C ATOM 1611 C PRO A 103 -4.710 13.634 -8.532 1.00 0.00 C ATOM 1612 O PRO A 103 -5.282 12.674 -7.997 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.592 15.464 -6.734 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.105 16.869 -6.992 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.568 16.873 -8.407 1.00 0.00 C ATOM 0 HA PRO A 103 -3.106 13.862 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.662 15.379 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.430 15.178 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.916 17.589 -6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.329 17.150 -6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.351 17.080 -9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.796 17.630 -8.545 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.877 13.947 -9.844 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.832 13.253 -10.733 1.00 0.00 C ATOM 1625 C PHE A 104 -5.115 12.753 -12.002 1.00 0.00 C ATOM 1626 O PHE A 104 -4.631 13.549 -12.803 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.006 14.207 -11.124 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.615 14.955 -9.938 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.394 14.286 -9.001 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.396 16.322 -9.760 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.929 14.955 -7.915 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -7.929 16.991 -8.673 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.704 16.309 -7.756 1.00 0.00 C ATOM 0 H PHE A 104 -4.352 14.687 -10.309 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.240 12.396 -10.197 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.645 14.933 -11.852 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.787 13.625 -11.614 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.584 13.230 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.802 16.865 -10.481 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.523 14.418 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.739 18.046 -8.542 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.134 16.833 -6.915 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.093 11.414 -12.189 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.540 10.760 -13.402 1.00 0.00 C ATOM 1645 C CYS A 105 -5.378 11.164 -14.622 1.00 0.00 C ATOM 1646 O CYS A 105 -6.526 11.541 -14.434 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.532 9.213 -13.219 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.167 8.393 -13.294 1.00 0.00 S ATOM 0 H CYS A 105 -5.458 10.753 -11.503 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.512 11.086 -13.559 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.893 8.778 -13.988 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.075 8.982 -12.257 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.815 11.040 -15.851 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.404 11.596 -17.108 1.00 0.00 C ATOM 1655 C GLN A 106 -6.935 11.334 -17.246 1.00 0.00 C ATOM 1656 O GLN A 106 -7.689 12.218 -17.668 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.640 11.019 -18.332 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.142 11.536 -19.698 1.00 0.00 C ATOM 1659 CD GLN A 106 -4.509 10.859 -20.919 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.133 9.689 -20.874 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.420 11.584 -22.023 1.00 0.00 N ATOM 0 H GLN A 106 -3.934 10.549 -16.004 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.290 12.679 -17.066 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.582 11.261 -18.232 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.721 9.932 -18.316 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.223 11.401 -19.746 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.952 12.608 -19.756 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.742 12.552 -22.025 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.030 11.175 -22.872 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.358 10.124 -16.836 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.781 9.702 -16.814 1.00 0.00 C ATOM 1672 C GLU A 107 -9.634 10.651 -15.934 1.00 0.00 C ATOM 1673 O GLU A 107 -10.627 11.223 -16.388 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.870 8.260 -16.242 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.983 7.216 -16.959 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.820 5.927 -16.134 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.894 5.864 -15.294 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -8.642 4.999 -16.273 1.00 0.00 O ATOM 0 H GLU A 107 -6.719 9.400 -16.506 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.169 9.737 -17.832 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.594 8.286 -15.188 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.907 7.929 -16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.421 6.973 -17.927 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.001 7.648 -17.153 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.175 10.821 -14.678 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.864 11.617 -13.640 1.00 0.00 C ATOM 1687 C CYS A 108 -9.743 13.128 -13.906 1.00 0.00 C ATOM 1688 O CYS A 108 -10.644 13.885 -13.561 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.296 11.266 -12.248 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.483 9.518 -11.820 1.00 0.00 S ATOM 0 H CYS A 108 -8.304 10.404 -14.351 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.924 11.366 -13.671 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.239 11.529 -12.217 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.798 11.873 -11.495 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.611 13.536 -14.512 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.345 14.928 -14.916 1.00 0.00 C ATOM 1697 C ALA A 109 -9.333 15.370 -16.011 1.00 0.00 C ATOM 1698 O ALA A 109 -9.818 16.503 -16.004 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.885 15.067 -15.387 1.00 0.00 C ATOM 0 H ALA A 109 -7.847 12.899 -14.737 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.490 15.584 -14.057 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.695 16.098 -15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.213 14.794 -14.574 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.713 14.407 -16.237 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.634 14.441 -16.936 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.650 14.639 -17.989 1.00 0.00 C ATOM 1707 C ALA A 110 -12.075 14.562 -17.400 1.00 0.00 C ATOM 1708 O ALA A 110 -13.003 15.204 -17.905 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.463 13.590 -19.097 1.00 0.00 C ATOM 0 H ALA A 110 -9.179 13.529 -16.976 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.520 15.633 -18.418 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.215 13.741 -19.871 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.469 13.693 -19.532 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.572 12.591 -18.675 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.224 13.760 -16.325 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.510 13.548 -15.629 1.00 0.00 C ATOM 1717 C ALA A 111 -13.862 14.710 -14.672 1.00 0.00 C ATOM 1718 O ALA A 111 -14.958 14.719 -14.094 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.478 12.210 -14.868 1.00 0.00 C ATOM 0 H ALA A 111 -11.450 13.238 -15.913 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.293 13.517 -16.387 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.429 12.059 -14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.311 11.395 -15.572 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.671 12.227 -14.135 1.00 0.00 H new ATOM 1725 N LEU A 112 -12.931 15.674 -14.495 1.00 0.00 N ATOM 1726 CA LEU A 112 -13.185 16.895 -13.704 1.00 0.00 C ATOM 1727 C LEU A 112 -14.209 17.793 -14.444 1.00 0.00 C ATOM 1728 O LEU A 112 -15.331 17.998 -13.934 1.00 0.00 O ATOM 1729 CB LEU A 112 -11.875 17.692 -13.435 1.00 0.00 C ATOM 1730 CG LEU A 112 -10.754 16.956 -12.639 1.00 0.00 C ATOM 1731 CD1 LEU A 112 -9.552 17.892 -12.371 1.00 0.00 C ATOM 1732 CD2 LEU A 112 -11.291 16.334 -11.324 1.00 0.00 C ATOM 1733 OXT LEU A 112 -13.891 18.257 -15.559 1.00 0.00 O ATOM 0 H LEU A 112 -11.993 15.627 -14.892 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.590 16.591 -12.739 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.462 18.001 -14.395 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.136 18.601 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.403 16.133 -13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.787 17.351 -11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.138 18.233 -13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.883 18.752 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.478 15.831 -10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.699 17.121 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.074 15.612 -11.556 1.00 0.00 H new TER 1745 LEU A 112 HETATM 1746 ZN ZN A 113 -7.510 8.488 -11.396 1.00 0.00 ZN