USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -104:sc= 0.152 USER MOD Set 1.2: A 65 TYR OH : rot -159:sc= 1.48 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.53 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.543 K(o=1.1,f=0.3) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.727 USER MOD Set 3.2: A 50 SER OG : rot 85:sc= 0.817 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0434 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -160:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.84) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 1.23 (180deg=1.04) USER MOD Single : A 39 ASN : amide:sc= 0.836 K(o=0.84,f=-1.7) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0189 K(o=-0.019,f=-2.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.977 K(o=0.98,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.686 4.319 14.340 1.00 0.00 N ATOM 2 CA GLY A 1 13.130 4.078 14.361 1.00 0.00 C ATOM 3 C GLY A 1 13.752 4.807 13.195 1.00 0.00 C ATOM 4 O GLY A 1 13.403 5.958 12.959 1.00 0.00 O ATOM 0 H1 GLY A 1 11.344 4.463 15.312 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.484 5.167 13.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.203 3.499 13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.559 4.428 15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.337 3.010 14.295 1.00 0.00 H new ATOM 8 N MET A 2 14.639 4.147 12.451 1.00 0.00 N ATOM 9 CA MET A 2 15.230 4.674 11.221 1.00 0.00 C ATOM 10 C MET A 2 15.129 3.698 10.056 1.00 0.00 C ATOM 11 O MET A 2 15.632 3.985 8.972 1.00 0.00 O ATOM 12 CB MET A 2 16.673 5.139 11.480 1.00 0.00 C ATOM 13 CG MET A 2 17.623 3.989 11.839 1.00 0.00 C ATOM 14 SD MET A 2 19.311 4.520 12.228 1.00 0.00 S ATOM 15 CE MET A 2 20.047 2.899 12.563 1.00 0.00 C ATOM 0 H MET A 2 14.973 3.214 12.691 1.00 0.00 H new ATOM 0 HA MET A 2 14.648 5.544 10.917 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.049 5.648 10.593 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.673 5.868 12.290 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.217 3.450 12.695 1.00 0.00 H new ATOM 0 HG3 MET A 2 17.657 3.286 11.006 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.098 3.023 12.824 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.521 2.425 13.392 1.00 0.00 H new ATOM 0 HE3 MET A 2 19.965 2.272 11.675 1.00 0.00 H new ATOM 25 N VAL A 3 14.455 2.568 10.251 1.00 0.00 N ATOM 26 CA VAL A 3 14.078 1.663 9.177 1.00 0.00 C ATOM 27 C VAL A 3 13.004 2.379 8.357 1.00 0.00 C ATOM 28 O VAL A 3 11.935 2.715 8.865 1.00 0.00 O ATOM 29 CB VAL A 3 13.718 0.265 9.737 1.00 0.00 C ATOM 30 CG1 VAL A 3 12.480 0.241 10.643 1.00 0.00 C ATOM 31 CG2 VAL A 3 13.599 -0.776 8.614 1.00 0.00 C ATOM 0 H VAL A 3 14.153 2.254 11.173 1.00 0.00 H new ATOM 0 HA VAL A 3 14.896 1.436 8.494 1.00 0.00 H new ATOM 0 HB VAL A 3 14.555 -0.004 10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.302 -0.777 10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.644 0.893 11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.613 0.590 10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.345 -1.746 9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 3 12.818 -0.472 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.549 -0.850 8.085 1.00 0.00 H new ATOM 41 N LYS A 4 13.345 2.736 7.120 1.00 0.00 N ATOM 42 CA LYS A 4 12.482 3.444 6.172 1.00 0.00 C ATOM 43 C LYS A 4 12.431 2.637 4.874 1.00 0.00 C ATOM 44 O LYS A 4 12.384 3.205 3.781 1.00 0.00 O ATOM 45 CB LYS A 4 12.995 4.885 5.961 1.00 0.00 C ATOM 46 CG LYS A 4 12.968 5.747 7.240 1.00 0.00 C ATOM 47 CD LYS A 4 14.252 6.561 7.451 1.00 0.00 C ATOM 48 CE LYS A 4 14.311 7.763 6.509 1.00 0.00 C ATOM 49 NZ LYS A 4 15.489 8.621 6.771 1.00 0.00 N ATOM 0 H LYS A 4 14.267 2.532 6.734 1.00 0.00 H new ATOM 0 HA LYS A 4 11.467 3.533 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.016 4.846 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.389 5.368 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.118 6.428 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.811 5.100 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.302 6.904 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.120 5.923 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.341 7.413 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.402 8.354 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.488 9.423 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.449 8.977 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.359 8.066 6.641 1.00 0.00 H new ATOM 63 N GLU A 5 12.544 1.318 4.963 1.00 0.00 N ATOM 64 CA GLU A 5 12.554 0.411 3.836 1.00 0.00 C ATOM 65 C GLU A 5 11.802 -0.849 4.238 1.00 0.00 C ATOM 66 O GLU A 5 12.150 -1.534 5.197 1.00 0.00 O ATOM 67 CB GLU A 5 13.982 0.134 3.354 1.00 0.00 C ATOM 68 CG GLU A 5 15.004 -0.239 4.442 1.00 0.00 C ATOM 69 CD GLU A 5 16.070 -1.164 3.866 1.00 0.00 C ATOM 70 OE1 GLU A 5 16.931 -0.699 3.080 1.00 0.00 O ATOM 71 OE2 GLU A 5 15.999 -2.394 4.119 1.00 0.00 O ATOM 0 H GLU A 5 12.634 0.838 5.859 1.00 0.00 H new ATOM 0 HA GLU A 5 12.048 0.859 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.947 -0.675 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.345 1.019 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.470 0.663 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.498 -0.728 5.274 1.00 0.00 H new ATOM 78 N THR A 6 10.719 -1.107 3.524 1.00 0.00 N ATOM 79 CA THR A 6 9.866 -2.269 3.637 1.00 0.00 C ATOM 80 C THR A 6 9.108 -2.392 2.328 1.00 0.00 C ATOM 81 O THR A 6 8.958 -1.405 1.597 1.00 0.00 O ATOM 82 CB THR A 6 8.847 -2.134 4.786 1.00 0.00 C ATOM 83 OG1 THR A 6 8.907 -0.889 5.454 1.00 0.00 O ATOM 84 CG2 THR A 6 9.031 -3.285 5.772 1.00 0.00 C ATOM 0 H THR A 6 10.394 -0.464 2.802 1.00 0.00 H new ATOM 0 HA THR A 6 10.482 -3.143 3.848 1.00 0.00 H new ATOM 0 HB THR A 6 7.855 -2.181 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.489 -0.971 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.310 -3.188 6.583 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.873 -4.233 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.042 -3.257 6.179 1.00 0.00 H new ATOM 92 N THR A 7 8.571 -3.580 2.089 1.00 0.00 N ATOM 93 CA THR A 7 7.871 -3.905 0.865 1.00 0.00 C ATOM 94 C THR A 7 6.499 -3.219 0.832 1.00 0.00 C ATOM 95 O THR A 7 6.124 -2.460 1.740 1.00 0.00 O ATOM 96 CB THR A 7 7.803 -5.436 0.770 1.00 0.00 C ATOM 97 OG1 THR A 7 7.476 -5.841 -0.530 1.00 0.00 O ATOM 98 CG2 THR A 7 6.805 -6.039 1.761 1.00 0.00 C ATOM 0 H THR A 7 8.613 -4.353 2.753 1.00 0.00 H new ATOM 0 HA THR A 7 8.395 -3.530 -0.014 1.00 0.00 H new ATOM 0 HB THR A 7 8.795 -5.806 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.537 -6.121 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.795 -7.124 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.099 -5.778 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.809 -5.645 1.559 1.00 0.00 H new ATOM 106 N TYR A 8 5.721 -3.555 -0.196 1.00 0.00 N ATOM 107 CA TYR A 8 4.329 -3.158 -0.383 1.00 0.00 C ATOM 108 C TYR A 8 3.413 -3.870 0.615 1.00 0.00 C ATOM 109 O TYR A 8 2.504 -4.608 0.257 1.00 0.00 O ATOM 110 CB TYR A 8 3.898 -3.411 -1.830 1.00 0.00 C ATOM 111 CG TYR A 8 4.788 -2.790 -2.884 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.194 -1.447 -2.792 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.165 -3.561 -3.992 1.00 0.00 C ATOM 114 CE1 TYR A 8 5.932 -0.862 -3.834 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.932 -2.995 -5.021 1.00 0.00 C ATOM 116 CZ TYR A 8 6.328 -1.644 -4.943 1.00 0.00 C ATOM 117 OH TYR A 8 7.049 -1.054 -5.933 1.00 0.00 O ATOM 0 H TYR A 8 6.063 -4.141 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 8 4.242 -2.089 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.859 -4.487 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.885 -3.031 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.938 -0.865 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.863 -4.596 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.197 0.184 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.219 -3.594 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 8 7.250 -1.714 -6.629 1.00 0.00 H new ATOM 127 N TYR A 9 3.634 -3.605 1.894 1.00 0.00 N ATOM 128 CA TYR A 9 2.746 -3.923 2.990 1.00 0.00 C ATOM 129 C TYR A 9 2.929 -2.814 4.013 1.00 0.00 C ATOM 130 O TYR A 9 1.991 -2.062 4.260 1.00 0.00 O ATOM 131 CB TYR A 9 3.054 -5.319 3.538 1.00 0.00 C ATOM 132 CG TYR A 9 2.490 -6.457 2.699 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.095 -6.598 2.547 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.346 -7.419 2.130 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.561 -7.690 1.842 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.822 -8.501 1.406 1.00 0.00 C ATOM 137 CZ TYR A 9 1.427 -8.641 1.254 1.00 0.00 C ATOM 138 OH TYR A 9 0.943 -9.686 0.530 1.00 0.00 O ATOM 0 H TYR A 9 4.485 -3.137 2.206 1.00 0.00 H new ATOM 0 HA TYR A 9 1.700 -3.965 2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.135 -5.438 3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.655 -5.396 4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.432 -5.861 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.415 -7.324 2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.509 -7.803 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.488 -9.228 0.965 1.00 0.00 H new ATOM 0 HH TYR A 9 1.689 -10.232 0.205 1.00 0.00 H new ATOM 148 N ASP A 10 4.154 -2.605 4.513 1.00 0.00 N ATOM 149 CA ASP A 10 4.378 -1.511 5.461 1.00 0.00 C ATOM 150 C ASP A 10 4.283 -0.145 4.793 1.00 0.00 C ATOM 151 O ASP A 10 3.997 0.844 5.467 1.00 0.00 O ATOM 152 CB ASP A 10 5.720 -1.620 6.188 1.00 0.00 C ATOM 153 CG ASP A 10 5.476 -1.593 7.701 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.150 -2.646 8.299 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.426 -0.488 8.300 1.00 0.00 O ATOM 0 H ASP A 10 4.979 -3.160 4.286 1.00 0.00 H new ATOM 0 HA ASP A 10 3.580 -1.606 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.227 -2.543 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.373 -0.797 5.898 1.00 0.00 H new ATOM 160 N VAL A 11 4.462 -0.065 3.468 1.00 0.00 N ATOM 161 CA VAL A 11 4.145 1.157 2.735 1.00 0.00 C ATOM 162 C VAL A 11 2.666 1.526 2.925 1.00 0.00 C ATOM 163 O VAL A 11 2.308 2.708 2.984 1.00 0.00 O ATOM 164 CB VAL A 11 4.514 1.005 1.241 1.00 0.00 C ATOM 165 CG1 VAL A 11 4.047 2.209 0.423 1.00 0.00 C ATOM 166 CG2 VAL A 11 6.025 0.891 1.029 1.00 0.00 C ATOM 0 H VAL A 11 4.821 -0.826 2.891 1.00 0.00 H new ATOM 0 HA VAL A 11 4.742 1.976 3.136 1.00 0.00 H new ATOM 0 HB VAL A 11 4.016 0.093 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.323 2.068 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.964 2.305 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.520 3.114 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.236 0.786 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.514 1.788 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.402 0.018 1.562 1.00 0.00 H new ATOM 176 N LEU A 12 1.814 0.516 3.076 1.00 0.00 N ATOM 177 CA LEU A 12 0.376 0.620 3.224 1.00 0.00 C ATOM 178 C LEU A 12 -0.033 0.570 4.696 1.00 0.00 C ATOM 179 O LEU A 12 -1.225 0.452 4.981 1.00 0.00 O ATOM 180 CB LEU A 12 -0.276 -0.524 2.423 1.00 0.00 C ATOM 181 CG LEU A 12 -0.030 -0.438 0.904 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.142 -1.810 0.244 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.046 0.508 0.271 1.00 0.00 C ATOM 0 H LEU A 12 2.134 -0.452 3.099 1.00 0.00 H new ATOM 0 HA LEU A 12 0.034 1.580 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.107 -1.476 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.350 -0.519 2.609 1.00 0.00 H new ATOM 0 HG LEU A 12 0.981 -0.062 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.037 -1.714 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.598 -2.483 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.141 -2.213 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.869 0.566 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.054 0.134 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.942 1.500 0.710 1.00 0.00 H new ATOM 195 N GLY A 13 0.924 0.657 5.625 1.00 0.00 N ATOM 196 CA GLY A 13 0.650 0.678 7.049 1.00 0.00 C ATOM 197 C GLY A 13 -0.031 -0.600 7.533 1.00 0.00 C ATOM 198 O GLY A 13 -0.728 -0.554 8.550 1.00 0.00 O ATOM 0 H GLY A 13 1.917 0.715 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.584 0.816 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.016 1.534 7.281 1.00 0.00 H new ATOM 202 N VAL A 14 0.150 -1.730 6.842 1.00 0.00 N ATOM 203 CA VAL A 14 -0.411 -3.015 7.225 1.00 0.00 C ATOM 204 C VAL A 14 0.742 -4.017 7.296 1.00 0.00 C ATOM 205 O VAL A 14 1.660 -3.977 6.474 1.00 0.00 O ATOM 206 CB VAL A 14 -1.564 -3.372 6.256 1.00 0.00 C ATOM 207 CG1 VAL A 14 -1.112 -4.034 4.943 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.615 -4.240 6.958 1.00 0.00 C ATOM 0 H VAL A 14 0.702 -1.770 5.985 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.873 -3.013 8.212 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.004 -2.417 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.984 -4.250 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.445 -3.360 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.587 -4.963 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.416 -4.479 6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.151 -5.162 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.026 -3.697 7.809 1.00 0.00 H new ATOM 218 N LYS A 15 0.734 -4.910 8.288 1.00 0.00 N ATOM 219 CA LYS A 15 1.803 -5.901 8.410 1.00 0.00 C ATOM 220 C LYS A 15 1.797 -6.853 7.202 1.00 0.00 C ATOM 221 O LYS A 15 0.734 -7.118 6.641 1.00 0.00 O ATOM 222 CB LYS A 15 1.767 -6.588 9.789 1.00 0.00 C ATOM 223 CG LYS A 15 0.394 -6.965 10.370 1.00 0.00 C ATOM 224 CD LYS A 15 -0.341 -8.008 9.528 1.00 0.00 C ATOM 225 CE LYS A 15 -1.611 -8.539 10.204 1.00 0.00 C ATOM 226 NZ LYS A 15 -1.358 -9.402 11.382 1.00 0.00 N ATOM 0 H LYS A 15 0.012 -4.967 9.007 1.00 0.00 H new ATOM 0 HA LYS A 15 2.773 -5.405 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.364 -7.498 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.263 -5.931 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.526 -7.349 11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.221 -6.068 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.605 -7.569 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.331 -8.842 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.225 -7.693 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.190 -9.103 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.264 -9.719 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.799 -10.229 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.833 -8.864 12.100 1.00 0.00 H new ATOM 240 N PRO A 16 2.937 -7.433 6.789 1.00 0.00 N ATOM 241 CA PRO A 16 2.992 -8.273 5.593 1.00 0.00 C ATOM 242 C PRO A 16 2.190 -9.573 5.691 1.00 0.00 C ATOM 243 O PRO A 16 1.840 -10.162 4.669 1.00 0.00 O ATOM 244 CB PRO A 16 4.480 -8.499 5.300 1.00 0.00 C ATOM 245 CG PRO A 16 5.149 -8.262 6.651 1.00 0.00 C ATOM 246 CD PRO A 16 4.276 -7.185 7.290 1.00 0.00 C ATOM 0 HA PRO A 16 2.501 -7.765 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.668 -9.507 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.849 -7.808 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.173 -9.170 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.180 -7.928 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.307 -7.247 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.620 -6.187 7.018 1.00 0.00 H new ATOM 254 N ASN A 17 1.845 -10.014 6.901 1.00 0.00 N ATOM 255 CA ASN A 17 0.943 -11.143 7.130 1.00 0.00 C ATOM 256 C ASN A 17 -0.547 -10.759 6.982 1.00 0.00 C ATOM 257 O ASN A 17 -1.417 -11.555 7.343 1.00 0.00 O ATOM 258 CB ASN A 17 1.232 -11.745 8.510 1.00 0.00 C ATOM 259 CG ASN A 17 2.469 -12.602 8.555 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.587 -12.169 8.297 1.00 0.00 O ATOM 261 ND2 ASN A 17 2.318 -13.825 8.978 1.00 0.00 N ATOM 0 H ASN A 17 2.190 -9.590 7.763 1.00 0.00 H new ATOM 0 HA ASN A 17 1.132 -11.890 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.336 -10.937 9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.376 -12.344 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.132 -14.428 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.386 -14.180 9.191 1.00 0.00 H new ATOM 268 N ALA A 18 -0.868 -9.551 6.504 1.00 0.00 N ATOM 269 CA ALA A 18 -2.236 -9.131 6.209 1.00 0.00 C ATOM 270 C ALA A 18 -2.864 -10.008 5.125 1.00 0.00 C ATOM 271 O ALA A 18 -2.172 -10.618 4.299 1.00 0.00 O ATOM 272 CB ALA A 18 -2.235 -7.673 5.741 1.00 0.00 C ATOM 0 H ALA A 18 -0.173 -8.830 6.310 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.826 -9.233 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.256 -7.361 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.823 -7.039 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.626 -7.580 4.842 1.00 0.00 H new ATOM 278 N THR A 19 -4.192 -10.008 5.090 1.00 0.00 N ATOM 279 CA THR A 19 -4.998 -10.696 4.092 1.00 0.00 C ATOM 280 C THR A 19 -5.411 -9.744 2.955 1.00 0.00 C ATOM 281 O THR A 19 -5.196 -8.530 3.021 1.00 0.00 O ATOM 282 CB THR A 19 -6.180 -11.399 4.786 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.733 -10.633 5.825 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.779 -12.767 5.345 1.00 0.00 C ATOM 0 H THR A 19 -4.755 -9.511 5.780 1.00 0.00 H new ATOM 0 HA THR A 19 -4.408 -11.473 3.605 1.00 0.00 H new ATOM 0 HB THR A 19 -6.934 -11.528 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.479 -11.122 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.640 -13.230 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.431 -13.405 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.979 -12.642 6.075 1.00 0.00 H new ATOM 292 N GLN A 20 -5.998 -10.297 1.887 1.00 0.00 N ATOM 293 CA GLN A 20 -6.319 -9.575 0.654 1.00 0.00 C ATOM 294 C GLN A 20 -7.335 -8.457 0.922 1.00 0.00 C ATOM 295 O GLN A 20 -7.346 -7.431 0.237 1.00 0.00 O ATOM 296 CB GLN A 20 -6.909 -10.516 -0.413 1.00 0.00 C ATOM 297 CG GLN A 20 -6.239 -11.884 -0.603 1.00 0.00 C ATOM 298 CD GLN A 20 -4.995 -11.889 -1.480 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.084 -11.897 -2.702 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.824 -11.971 -0.875 1.00 0.00 N ATOM 0 H GLN A 20 -6.268 -11.280 1.857 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.384 -9.150 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.957 -10.687 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.886 -9.995 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.972 -12.278 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.969 -12.570 -1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.775 -11.962 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.969 -12.043 -1.426 1.00 0.00 H new ATOM 309 N GLU A 21 -8.223 -8.671 1.893 1.00 0.00 N ATOM 310 CA GLU A 21 -9.274 -7.743 2.278 1.00 0.00 C ATOM 311 C GLU A 21 -8.768 -6.718 3.291 1.00 0.00 C ATOM 312 O GLU A 21 -9.162 -5.555 3.239 1.00 0.00 O ATOM 313 CB GLU A 21 -10.432 -8.546 2.884 1.00 0.00 C ATOM 314 CG GLU A 21 -11.464 -8.951 1.825 1.00 0.00 C ATOM 315 CD GLU A 21 -12.235 -7.741 1.284 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.054 -7.163 2.040 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.030 -7.348 0.116 1.00 0.00 O ATOM 0 H GLU A 21 -8.226 -9.526 2.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.607 -7.197 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.039 -9.440 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.920 -7.952 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.960 -9.457 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.166 -9.665 2.256 1.00 0.00 H new ATOM 324 N GLU A 22 -7.885 -7.118 4.205 1.00 0.00 N ATOM 325 CA GLU A 22 -7.281 -6.208 5.176 1.00 0.00 C ATOM 326 C GLU A 22 -6.456 -5.136 4.473 1.00 0.00 C ATOM 327 O GLU A 22 -6.457 -3.987 4.917 1.00 0.00 O ATOM 328 CB GLU A 22 -6.377 -6.981 6.130 1.00 0.00 C ATOM 329 CG GLU A 22 -7.194 -7.827 7.108 1.00 0.00 C ATOM 330 CD GLU A 22 -6.293 -8.654 8.019 1.00 0.00 C ATOM 331 OE1 GLU A 22 -5.189 -9.039 7.583 1.00 0.00 O ATOM 332 OE2 GLU A 22 -6.679 -8.920 9.176 1.00 0.00 O ATOM 0 H GLU A 22 -7.568 -8.084 4.293 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.087 -5.731 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.709 -7.625 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.750 -6.284 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.826 -7.177 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.857 -8.489 6.552 1.00 0.00 H new ATOM 339 N LEU A 23 -5.811 -5.499 3.358 1.00 0.00 N ATOM 340 CA LEU A 23 -5.196 -4.573 2.418 1.00 0.00 C ATOM 341 C LEU A 23 -6.213 -3.498 2.034 1.00 0.00 C ATOM 342 O LEU A 23 -5.983 -2.314 2.290 1.00 0.00 O ATOM 343 CB LEU A 23 -4.679 -5.343 1.183 1.00 0.00 C ATOM 344 CG LEU A 23 -3.205 -5.777 1.286 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.881 -6.766 0.158 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.276 -4.567 1.165 1.00 0.00 C ATOM 0 H LEU A 23 -5.703 -6.475 3.083 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.339 -4.082 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.298 -6.228 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.801 -4.716 0.300 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.052 -6.249 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.838 -7.073 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.524 -7.642 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.051 -6.287 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.239 -4.895 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.434 -4.082 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.492 -3.861 1.967 1.00 0.00 H new ATOM 358 N LYS A 24 -7.359 -3.886 1.465 1.00 0.00 N ATOM 359 CA LYS A 24 -8.398 -2.935 1.071 1.00 0.00 C ATOM 360 C LYS A 24 -8.843 -2.073 2.251 1.00 0.00 C ATOM 361 O LYS A 24 -8.905 -0.851 2.105 1.00 0.00 O ATOM 362 CB LYS A 24 -9.585 -3.675 0.438 1.00 0.00 C ATOM 363 CG LYS A 24 -10.580 -2.690 -0.205 1.00 0.00 C ATOM 364 CD LYS A 24 -12.023 -2.913 0.251 1.00 0.00 C ATOM 365 CE LYS A 24 -12.511 -4.280 -0.230 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.973 -4.320 -0.380 1.00 0.00 N ATOM 0 H LYS A 24 -7.589 -4.860 1.267 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.978 -2.261 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.221 -4.372 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.095 -4.266 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.282 -1.670 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.529 -2.787 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.084 -2.856 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.665 -2.127 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.042 -4.517 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.198 -5.047 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.263 -5.264 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.422 -4.119 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.270 -3.606 -1.075 1.00 0.00 H new ATOM 380 N LYS A 25 -9.148 -2.673 3.411 1.00 0.00 N ATOM 381 CA LYS A 25 -9.594 -1.908 4.577 1.00 0.00 C ATOM 382 C LYS A 25 -8.563 -0.842 4.943 1.00 0.00 C ATOM 383 O LYS A 25 -8.946 0.318 5.100 1.00 0.00 O ATOM 384 CB LYS A 25 -9.922 -2.795 5.791 1.00 0.00 C ATOM 385 CG LYS A 25 -11.209 -3.620 5.615 1.00 0.00 C ATOM 386 CD LYS A 25 -11.801 -4.020 6.977 1.00 0.00 C ATOM 387 CE LYS A 25 -13.009 -4.947 6.778 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.764 -5.184 8.029 1.00 0.00 N ATOM 0 H LYS A 25 -9.093 -3.680 3.563 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.527 -1.420 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.087 -3.472 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.021 -2.166 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.942 -3.041 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.994 -4.515 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.043 -4.522 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.104 -3.128 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.676 -4.512 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.666 -5.902 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.567 -5.816 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.139 -5.625 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.117 -4.278 8.398 1.00 0.00 H new ATOM 402 N ALA A 26 -7.280 -1.209 5.042 1.00 0.00 N ATOM 403 CA ALA A 26 -6.196 -0.283 5.359 1.00 0.00 C ATOM 404 C ALA A 26 -6.163 0.858 4.346 1.00 0.00 C ATOM 405 O ALA A 26 -6.169 2.022 4.741 1.00 0.00 O ATOM 406 CB ALA A 26 -4.843 -1.010 5.394 1.00 0.00 C ATOM 0 H ALA A 26 -6.966 -2.169 4.902 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.381 0.132 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.053 -0.298 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.869 -1.791 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.646 -1.458 4.420 1.00 0.00 H new ATOM 412 N TYR A 27 -6.181 0.531 3.049 1.00 0.00 N ATOM 413 CA TYR A 27 -6.105 1.508 1.970 1.00 0.00 C ATOM 414 C TYR A 27 -7.232 2.527 2.099 1.00 0.00 C ATOM 415 O TYR A 27 -6.974 3.729 2.141 1.00 0.00 O ATOM 416 CB TYR A 27 -6.158 0.826 0.597 1.00 0.00 C ATOM 417 CG TYR A 27 -6.020 1.838 -0.523 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.739 2.219 -0.951 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.154 2.483 -1.051 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.578 3.238 -1.908 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.005 3.495 -2.016 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.716 3.867 -2.460 1.00 0.00 C ATOM 423 OH TYR A 27 -5.598 4.836 -3.406 1.00 0.00 O ATOM 0 H TYR A 27 -6.250 -0.432 2.721 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.149 2.025 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.360 0.087 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.100 0.288 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.869 1.726 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.140 2.200 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.588 3.538 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.877 3.989 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.489 5.150 -3.666 1.00 0.00 H new ATOM 433 N ARG A 28 -8.480 2.057 2.202 1.00 0.00 N ATOM 434 CA ARG A 28 -9.655 2.920 2.320 1.00 0.00 C ATOM 435 C ARG A 28 -9.531 3.905 3.477 1.00 0.00 C ATOM 436 O ARG A 28 -10.039 5.014 3.379 1.00 0.00 O ATOM 437 CB ARG A 28 -10.910 2.053 2.478 1.00 0.00 C ATOM 438 CG ARG A 28 -11.503 1.645 1.126 1.00 0.00 C ATOM 439 CD ARG A 28 -12.371 2.757 0.517 1.00 0.00 C ATOM 440 NE ARG A 28 -13.175 2.234 -0.598 1.00 0.00 N ATOM 441 CZ ARG A 28 -13.062 2.515 -1.901 1.00 0.00 C ATOM 442 NH1 ARG A 28 -12.220 3.441 -2.358 1.00 0.00 N ATOM 443 NH2 ARG A 28 -13.795 1.817 -2.758 1.00 0.00 N ATOM 0 H ARG A 28 -8.702 1.061 2.206 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.732 3.514 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.662 1.158 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.658 2.600 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.696 1.397 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.104 0.744 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.027 3.174 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.736 3.570 0.165 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.911 1.574 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.634 3.963 -1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.162 3.628 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.423 1.089 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.731 2.008 -3.758 1.00 0.00 H new ATOM 457 N LYS A 29 -8.860 3.533 4.565 1.00 0.00 N ATOM 458 CA LYS A 29 -8.717 4.394 5.737 1.00 0.00 C ATOM 459 C LYS A 29 -7.597 5.383 5.480 1.00 0.00 C ATOM 460 O LYS A 29 -7.764 6.595 5.622 1.00 0.00 O ATOM 461 CB LYS A 29 -8.447 3.520 6.975 1.00 0.00 C ATOM 462 CG LYS A 29 -9.672 2.633 7.221 1.00 0.00 C ATOM 463 CD LYS A 29 -9.422 1.370 8.038 1.00 0.00 C ATOM 464 CE LYS A 29 -9.442 1.661 9.537 1.00 0.00 C ATOM 465 NZ LYS A 29 -9.362 0.410 10.310 1.00 0.00 N ATOM 0 H LYS A 29 -8.401 2.627 4.659 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.630 4.959 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.560 2.906 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.252 4.146 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.432 3.227 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.087 2.343 6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.182 0.625 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.458 0.942 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.606 2.310 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.355 2.197 9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.377 0.629 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.173 -0.196 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.479 -0.087 10.076 1.00 0.00 H new ATOM 479 N LEU A 30 -6.438 4.866 5.085 1.00 0.00 N ATOM 480 CA LEU A 30 -5.242 5.689 4.936 1.00 0.00 C ATOM 481 C LEU A 30 -5.343 6.669 3.770 1.00 0.00 C ATOM 482 O LEU A 30 -4.782 7.757 3.870 1.00 0.00 O ATOM 483 CB LEU A 30 -3.977 4.840 4.826 1.00 0.00 C ATOM 484 CG LEU A 30 -3.568 4.137 6.135 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.290 3.345 5.851 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.354 5.111 7.311 1.00 0.00 C ATOM 0 H LEU A 30 -6.301 3.880 4.862 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.171 6.282 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.126 4.085 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.155 5.475 4.496 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.382 3.482 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.970 2.833 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.483 2.611 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.505 4.026 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.068 4.550 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.564 5.818 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.279 5.654 7.506 1.00 0.00 H new ATOM 498 N ALA A 31 -6.076 6.348 2.702 1.00 0.00 N ATOM 499 CA ALA A 31 -6.316 7.278 1.601 1.00 0.00 C ATOM 500 C ALA A 31 -6.917 8.578 2.133 1.00 0.00 C ATOM 501 O ALA A 31 -6.452 9.662 1.807 1.00 0.00 O ATOM 502 CB ALA A 31 -7.223 6.612 0.559 1.00 0.00 C ATOM 0 H ALA A 31 -6.518 5.437 2.578 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.373 7.531 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.403 7.305 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.739 5.713 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.173 6.344 1.022 1.00 0.00 H new ATOM 508 N LEU A 32 -7.941 8.469 2.976 1.00 0.00 N ATOM 509 CA LEU A 32 -8.601 9.576 3.632 1.00 0.00 C ATOM 510 C LEU A 32 -7.711 10.250 4.680 1.00 0.00 C ATOM 511 O LEU A 32 -7.830 11.457 4.878 1.00 0.00 O ATOM 512 CB LEU A 32 -9.877 9.037 4.282 1.00 0.00 C ATOM 513 CG LEU A 32 -11.023 8.821 3.283 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.734 8.006 2.013 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.217 8.221 4.039 1.00 0.00 C ATOM 0 H LEU A 32 -8.344 7.566 3.226 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.831 10.342 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.653 8.092 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.204 9.732 5.055 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.222 9.814 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.639 7.941 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.948 8.495 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.410 7.003 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.043 8.060 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.925 7.269 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.532 8.907 4.825 1.00 0.00 H new ATOM 527 N LYS A 33 -6.829 9.512 5.365 1.00 0.00 N ATOM 528 CA LYS A 33 -5.902 10.087 6.332 1.00 0.00 C ATOM 529 C LYS A 33 -4.960 11.064 5.631 1.00 0.00 C ATOM 530 O LYS A 33 -4.771 12.194 6.091 1.00 0.00 O ATOM 531 CB LYS A 33 -5.130 8.961 7.044 1.00 0.00 C ATOM 532 CG LYS A 33 -4.159 9.563 8.057 1.00 0.00 C ATOM 533 CD LYS A 33 -3.516 8.533 8.989 1.00 0.00 C ATOM 534 CE LYS A 33 -2.934 9.335 10.153 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.579 8.513 11.323 1.00 0.00 N ATOM 0 H LYS A 33 -6.742 8.501 5.261 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.455 10.644 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.827 8.291 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.585 8.363 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.372 10.094 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.689 10.302 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.252 7.810 9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.738 7.970 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.045 9.864 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.657 10.092 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.192 9.123 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.428 8.028 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.866 7.807 11.048 1.00 0.00 H new ATOM 549 N TYR A 34 -4.365 10.607 4.534 1.00 0.00 N ATOM 550 CA TYR A 34 -3.372 11.326 3.755 1.00 0.00 C ATOM 551 C TYR A 34 -4.020 12.090 2.595 1.00 0.00 C ATOM 552 O TYR A 34 -3.313 12.488 1.671 1.00 0.00 O ATOM 553 CB TYR A 34 -2.320 10.312 3.277 1.00 0.00 C ATOM 554 CG TYR A 34 -1.580 9.611 4.409 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.770 10.347 5.296 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.687 8.219 4.580 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.080 9.698 6.339 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.975 7.560 5.593 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.177 8.299 6.492 1.00 0.00 C ATOM 560 OH TYR A 34 0.496 7.667 7.493 1.00 0.00 O ATOM 0 H TYR A 34 -4.573 9.685 4.150 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.885 12.084 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.809 9.561 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.595 10.826 2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.677 11.416 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.327 7.649 3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.525 10.274 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.038 6.486 5.685 1.00 0.00 H new ATOM 0 HH TYR A 34 0.315 6.705 7.452 1.00 0.00 H new ATOM 570 N HIS A 35 -5.347 12.284 2.598 1.00 0.00 N ATOM 571 CA HIS A 35 -5.996 12.955 1.480 1.00 0.00 C ATOM 572 C HIS A 35 -5.485 14.395 1.468 1.00 0.00 C ATOM 573 O HIS A 35 -5.473 15.016 2.533 1.00 0.00 O ATOM 574 CB HIS A 35 -7.522 12.944 1.685 1.00 0.00 C ATOM 575 CG HIS A 35 -8.329 12.725 0.433 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.931 13.682 -0.353 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.642 11.503 -0.095 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.572 13.046 -1.344 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.481 11.709 -1.198 1.00 0.00 N ATOM 0 H HIS A 35 -5.974 11.991 3.347 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.773 12.454 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.772 12.162 2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.821 13.893 2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.302 10.547 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.092 13.539 -2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.930 10.995 -1.772 1.00 0.00 H new ATOM 587 N PRO A 36 -5.252 15.009 0.301 1.00 0.00 N ATOM 588 CA PRO A 36 -4.637 16.331 0.245 1.00 0.00 C ATOM 589 C PRO A 36 -5.603 17.396 0.775 1.00 0.00 C ATOM 590 O PRO A 36 -5.193 18.389 1.371 1.00 0.00 O ATOM 591 CB PRO A 36 -4.253 16.523 -1.225 1.00 0.00 C ATOM 592 CG PRO A 36 -5.222 15.618 -1.987 1.00 0.00 C ATOM 593 CD PRO A 36 -5.459 14.459 -1.026 1.00 0.00 C ATOM 0 HA PRO A 36 -3.755 16.425 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.356 17.564 -1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.216 16.239 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.150 16.136 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.795 15.276 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.468 14.060 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.769 13.638 -1.223 1.00 0.00 H new ATOM 601 N ASP A 37 -6.900 17.131 0.625 1.00 0.00 N ATOM 602 CA ASP A 37 -8.023 17.928 1.096 1.00 0.00 C ATOM 603 C ASP A 37 -7.964 18.191 2.609 1.00 0.00 C ATOM 604 O ASP A 37 -8.259 19.299 3.054 1.00 0.00 O ATOM 605 CB ASP A 37 -9.286 17.158 0.694 1.00 0.00 C ATOM 606 CG ASP A 37 -10.589 17.914 0.934 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.887 18.844 0.156 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.396 17.458 1.777 1.00 0.00 O ATOM 0 H ASP A 37 -7.212 16.292 0.135 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.007 18.921 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.219 16.901 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.317 16.220 1.249 1.00 0.00 H new ATOM 613 N LYS A 38 -7.552 17.202 3.417 1.00 0.00 N ATOM 614 CA LYS A 38 -7.375 17.315 4.865 1.00 0.00 C ATOM 615 C LYS A 38 -5.905 17.251 5.286 1.00 0.00 C ATOM 616 O LYS A 38 -5.639 17.063 6.476 1.00 0.00 O ATOM 617 CB LYS A 38 -8.137 16.178 5.558 1.00 0.00 C ATOM 618 CG LYS A 38 -9.642 16.205 5.311 1.00 0.00 C ATOM 619 CD LYS A 38 -10.146 15.232 4.243 1.00 0.00 C ATOM 620 CE LYS A 38 -11.668 15.106 4.372 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.341 16.401 4.143 1.00 0.00 N ATOM 0 H LYS A 38 -7.326 16.272 3.064 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.763 18.289 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.739 15.224 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.953 16.231 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.152 15.985 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.928 17.216 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.879 15.591 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.674 14.257 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.035 14.372 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.920 14.735 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.325 16.234 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.329 16.958 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.843 16.924 3.394 1.00 0.00 H new ATOM 635 N ASN A 39 -4.968 17.256 4.337 1.00 0.00 N ATOM 636 CA ASN A 39 -3.571 16.953 4.609 1.00 0.00 C ATOM 637 C ASN A 39 -2.676 17.424 3.455 1.00 0.00 C ATOM 638 O ASN A 39 -2.005 16.606 2.820 1.00 0.00 O ATOM 639 CB ASN A 39 -3.426 15.444 4.868 1.00 0.00 C ATOM 640 CG ASN A 39 -2.194 15.119 5.688 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.206 15.851 5.719 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.255 14.015 6.416 1.00 0.00 N ATOM 0 H ASN A 39 -5.161 17.471 3.359 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.245 17.491 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.312 15.080 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.376 14.917 3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.473 13.757 7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.084 13.422 6.375 1.00 0.00 H new ATOM 649 N PRO A 40 -2.621 18.735 3.158 1.00 0.00 N ATOM 650 CA PRO A 40 -1.793 19.261 2.084 1.00 0.00 C ATOM 651 C PRO A 40 -0.309 19.006 2.328 1.00 0.00 C ATOM 652 O PRO A 40 0.473 19.092 1.382 1.00 0.00 O ATOM 653 CB PRO A 40 -2.064 20.764 2.023 1.00 0.00 C ATOM 654 CG PRO A 40 -2.646 21.109 3.385 1.00 0.00 C ATOM 655 CD PRO A 40 -3.274 19.809 3.875 1.00 0.00 C ATOM 0 HA PRO A 40 -2.040 18.764 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.149 21.324 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.761 21.008 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.873 21.459 4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.388 21.904 3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.138 19.695 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.348 19.803 3.687 1.00 0.00 H new ATOM 663 N ASN A 41 0.104 18.707 3.565 1.00 0.00 N ATOM 664 CA ASN A 41 1.502 18.421 3.833 1.00 0.00 C ATOM 665 C ASN A 41 1.904 17.049 3.296 1.00 0.00 C ATOM 666 O ASN A 41 3.042 16.879 2.858 1.00 0.00 O ATOM 667 CB ASN A 41 1.819 18.540 5.328 1.00 0.00 C ATOM 668 CG ASN A 41 3.153 19.244 5.472 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.211 18.654 5.274 1.00 0.00 O ATOM 670 ND2 ASN A 41 3.118 20.531 5.764 1.00 0.00 N ATOM 0 H ASN A 41 -0.507 18.659 4.381 1.00 0.00 H new ATOM 0 HA ASN A 41 2.094 19.170 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.036 19.100 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.858 17.553 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.986 21.063 5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.223 20.994 5.923 1.00 0.00 H new ATOM 677 N GLU A 42 0.993 16.071 3.310 1.00 0.00 N ATOM 678 CA GLU A 42 1.268 14.664 3.014 1.00 0.00 C ATOM 679 C GLU A 42 0.635 14.214 1.692 1.00 0.00 C ATOM 680 O GLU A 42 0.637 13.020 1.402 1.00 0.00 O ATOM 681 CB GLU A 42 0.874 13.769 4.209 1.00 0.00 C ATOM 682 CG GLU A 42 1.682 14.114 5.479 1.00 0.00 C ATOM 683 CD GLU A 42 1.380 13.222 6.694 1.00 0.00 C ATOM 684 OE1 GLU A 42 0.202 12.941 6.999 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.346 12.758 7.345 1.00 0.00 O ATOM 0 H GLU A 42 0.013 16.244 3.535 1.00 0.00 H new ATOM 0 HA GLU A 42 2.343 14.553 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.190 13.885 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.037 12.723 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.745 14.042 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.484 15.151 5.749 1.00 0.00 H new ATOM 692 N GLY A 43 0.145 15.142 0.863 1.00 0.00 N ATOM 693 CA GLY A 43 -0.499 14.820 -0.404 1.00 0.00 C ATOM 694 C GLY A 43 0.378 13.973 -1.332 1.00 0.00 C ATOM 695 O GLY A 43 -0.139 13.066 -1.981 1.00 0.00 O ATOM 0 H GLY A 43 0.187 16.142 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.428 14.286 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.766 15.746 -0.913 1.00 0.00 H new ATOM 699 N GLU A 44 1.699 14.195 -1.388 1.00 0.00 N ATOM 700 CA GLU A 44 2.571 13.338 -2.203 1.00 0.00 C ATOM 701 C GLU A 44 2.733 11.946 -1.585 1.00 0.00 C ATOM 702 O GLU A 44 2.907 10.970 -2.313 1.00 0.00 O ATOM 703 CB GLU A 44 3.954 13.972 -2.430 1.00 0.00 C ATOM 704 CG GLU A 44 4.046 14.709 -3.773 1.00 0.00 C ATOM 705 CD GLU A 44 5.505 14.858 -4.215 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.202 15.752 -3.686 1.00 0.00 O ATOM 707 OE2 GLU A 44 5.961 14.068 -5.084 1.00 0.00 O ATOM 0 H GLU A 44 2.179 14.944 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 44 2.080 13.235 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.168 14.670 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.718 13.195 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.486 14.162 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.586 15.693 -3.685 1.00 0.00 H new ATOM 714 N LYS A 45 2.623 11.812 -0.258 1.00 0.00 N ATOM 715 CA LYS A 45 2.738 10.526 0.429 1.00 0.00 C ATOM 716 C LYS A 45 1.656 9.562 -0.058 1.00 0.00 C ATOM 717 O LYS A 45 1.889 8.355 -0.076 1.00 0.00 O ATOM 718 CB LYS A 45 2.626 10.738 1.946 1.00 0.00 C ATOM 719 CG LYS A 45 3.260 9.597 2.757 1.00 0.00 C ATOM 720 CD LYS A 45 2.755 9.605 4.207 1.00 0.00 C ATOM 721 CE LYS A 45 3.119 10.861 5.010 1.00 0.00 C ATOM 722 NZ LYS A 45 4.558 10.967 5.314 1.00 0.00 N ATOM 0 H LYS A 45 2.451 12.598 0.370 1.00 0.00 H new ATOM 0 HA LYS A 45 3.710 10.088 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.108 11.678 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.575 10.830 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.024 8.640 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.345 9.698 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.670 9.498 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.158 8.733 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.808 11.743 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.557 10.861 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.735 11.836 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.856 10.142 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.099 10.997 4.426 1.00 0.00 H new ATOM 736 N PHE A 46 0.504 10.083 -0.492 1.00 0.00 N ATOM 737 CA PHE A 46 -0.565 9.321 -1.130 1.00 0.00 C ATOM 738 C PHE A 46 -0.001 8.431 -2.238 1.00 0.00 C ATOM 739 O PHE A 46 -0.373 7.259 -2.335 1.00 0.00 O ATOM 740 CB PHE A 46 -1.624 10.280 -1.693 1.00 0.00 C ATOM 741 CG PHE A 46 -3.073 9.815 -1.666 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.457 8.512 -2.052 1.00 0.00 C ATOM 743 CD2 PHE A 46 -4.072 10.746 -1.333 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.816 8.155 -2.105 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.430 10.401 -1.417 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.805 9.103 -1.798 1.00 0.00 C ATOM 0 H PHE A 46 0.287 11.076 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.034 8.678 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.560 11.216 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.361 10.503 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.701 7.784 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.792 11.737 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.099 7.150 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.188 11.136 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.850 8.835 -1.855 1.00 0.00 H new ATOM 756 N LYS A 47 0.926 8.955 -3.048 1.00 0.00 N ATOM 757 CA LYS A 47 1.524 8.210 -4.141 1.00 0.00 C ATOM 758 C LYS A 47 2.168 6.915 -3.673 1.00 0.00 C ATOM 759 O LYS A 47 1.976 5.897 -4.333 1.00 0.00 O ATOM 760 CB LYS A 47 2.540 9.090 -4.887 1.00 0.00 C ATOM 761 CG LYS A 47 2.625 8.647 -6.352 1.00 0.00 C ATOM 762 CD LYS A 47 3.696 9.373 -7.183 1.00 0.00 C ATOM 763 CE LYS A 47 5.121 9.052 -6.718 1.00 0.00 C ATOM 764 NZ LYS A 47 6.116 9.971 -7.300 1.00 0.00 N ATOM 0 H LYS A 47 1.277 9.908 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 47 0.723 7.932 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.241 10.137 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.520 9.012 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.826 7.576 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.654 8.803 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.588 9.094 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.531 10.449 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.168 9.109 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.370 8.027 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.065 9.717 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.091 9.899 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.895 10.947 -7.016 1.00 0.00 H new ATOM 778 N GLN A 48 2.892 6.906 -2.546 1.00 0.00 N ATOM 779 CA GLN A 48 3.491 5.677 -2.033 1.00 0.00 C ATOM 780 C GLN A 48 2.399 4.633 -1.778 1.00 0.00 C ATOM 781 O GLN A 48 2.619 3.455 -2.067 1.00 0.00 O ATOM 782 CB GLN A 48 4.298 5.966 -0.748 1.00 0.00 C ATOM 783 CG GLN A 48 5.746 6.438 -0.967 1.00 0.00 C ATOM 784 CD GLN A 48 6.714 5.289 -1.262 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.480 4.459 -2.133 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.858 5.215 -0.608 1.00 0.00 N ATOM 0 H GLN A 48 3.074 7.734 -1.978 1.00 0.00 H new ATOM 0 HA GLN A 48 4.181 5.278 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.770 6.726 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.317 5.061 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.770 7.147 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.086 6.973 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.074 5.895 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.526 4.478 -0.831 1.00 0.00 H new ATOM 795 N ILE A 49 1.230 5.064 -1.293 1.00 0.00 N ATOM 796 CA ILE A 49 0.095 4.200 -0.991 1.00 0.00 C ATOM 797 C ILE A 49 -0.435 3.618 -2.305 1.00 0.00 C ATOM 798 O ILE A 49 -0.538 2.401 -2.438 1.00 0.00 O ATOM 799 CB ILE A 49 -1.038 4.950 -0.235 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.558 5.959 0.824 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.993 3.952 0.436 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.725 6.768 1.397 1.00 0.00 C ATOM 0 H ILE A 49 1.047 6.048 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 49 0.434 3.404 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.545 5.527 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.051 5.429 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.172 6.636 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.779 4.496 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.440 3.310 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.439 3.340 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.350 7.470 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.215 7.318 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.441 6.092 1.864 1.00 0.00 H new ATOM 814 N SER A 50 -0.835 4.471 -3.251 1.00 0.00 N ATOM 815 CA SER A 50 -1.615 4.016 -4.398 1.00 0.00 C ATOM 816 C SER A 50 -0.740 3.233 -5.390 1.00 0.00 C ATOM 817 O SER A 50 -1.232 2.318 -6.050 1.00 0.00 O ATOM 818 CB SER A 50 -2.352 5.189 -5.022 1.00 0.00 C ATOM 819 OG SER A 50 -3.624 4.789 -5.499 1.00 0.00 O ATOM 0 H SER A 50 -0.633 5.471 -3.244 1.00 0.00 H new ATOM 0 HA SER A 50 -2.376 3.310 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.469 5.984 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.763 5.599 -5.843 1.00 0.00 H new ATOM 0 HG SER A 50 -4.275 4.829 -4.768 1.00 0.00 H new ATOM 825 N GLN A 51 0.561 3.534 -5.433 1.00 0.00 N ATOM 826 CA GLN A 51 1.593 2.740 -6.083 1.00 0.00 C ATOM 827 C GLN A 51 1.614 1.347 -5.453 1.00 0.00 C ATOM 828 O GLN A 51 1.384 0.366 -6.148 1.00 0.00 O ATOM 829 CB GLN A 51 2.915 3.501 -5.930 1.00 0.00 C ATOM 830 CG GLN A 51 4.077 3.041 -6.801 1.00 0.00 C ATOM 831 CD GLN A 51 4.479 1.593 -6.704 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.019 0.747 -7.463 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.416 1.306 -5.843 1.00 0.00 N ATOM 0 H GLN A 51 0.934 4.376 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 51 1.408 2.595 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.728 4.554 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.226 3.436 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.825 3.253 -7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.946 3.650 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.779 2.031 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.785 0.357 -5.789 1.00 0.00 H new ATOM 842 N ALA A 52 1.849 1.242 -4.142 1.00 0.00 N ATOM 843 CA ALA A 52 1.945 -0.054 -3.483 1.00 0.00 C ATOM 844 C ALA A 52 0.674 -0.887 -3.681 1.00 0.00 C ATOM 845 O ALA A 52 0.755 -2.088 -3.937 1.00 0.00 O ATOM 846 CB ALA A 52 2.246 0.159 -1.998 1.00 0.00 C ATOM 0 H ALA A 52 1.975 2.041 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 52 2.759 -0.619 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.319 -0.807 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.189 0.695 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.444 0.742 -1.544 1.00 0.00 H new ATOM 852 N TYR A 53 -0.497 -0.255 -3.586 1.00 0.00 N ATOM 853 CA TYR A 53 -1.774 -0.932 -3.751 1.00 0.00 C ATOM 854 C TYR A 53 -1.952 -1.479 -5.180 1.00 0.00 C ATOM 855 O TYR A 53 -2.656 -2.473 -5.344 1.00 0.00 O ATOM 856 CB TYR A 53 -2.910 0.033 -3.377 1.00 0.00 C ATOM 857 CG TYR A 53 -4.240 -0.652 -3.124 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.472 -1.293 -1.890 1.00 0.00 C ATOM 859 CD2 TYR A 53 -5.230 -0.682 -4.127 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.692 -1.948 -1.650 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.449 -1.347 -3.895 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.689 -1.974 -2.652 1.00 0.00 C ATOM 863 OH TYR A 53 -7.864 -2.627 -2.436 1.00 0.00 O ATOM 0 H TYR A 53 -0.581 0.743 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.801 -1.794 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.623 0.588 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.034 0.761 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.709 -1.281 -1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.053 -0.194 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.868 -2.431 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.202 -1.378 -4.669 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.435 -2.543 -3.228 1.00 0.00 H new ATOM 873 N GLU A 54 -1.323 -0.874 -6.195 1.00 0.00 N ATOM 874 CA GLU A 54 -1.407 -1.279 -7.602 1.00 0.00 C ATOM 875 C GLU A 54 -0.726 -2.631 -7.819 1.00 0.00 C ATOM 876 O GLU A 54 -1.168 -3.453 -8.621 1.00 0.00 O ATOM 877 CB GLU A 54 -0.703 -0.212 -8.457 1.00 0.00 C ATOM 878 CG GLU A 54 -0.777 -0.411 -9.972 1.00 0.00 C ATOM 879 CD GLU A 54 -2.184 -0.336 -10.568 1.00 0.00 C ATOM 880 OE1 GLU A 54 -3.101 0.279 -9.974 1.00 0.00 O ATOM 881 OE2 GLU A 54 -2.341 -0.754 -11.740 1.00 0.00 O ATOM 0 H GLU A 54 -0.722 -0.062 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.455 -1.373 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.134 0.760 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.347 -0.176 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.155 0.344 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.347 -1.382 -10.217 1.00 0.00 H new ATOM 888 N VAL A 55 0.367 -2.885 -7.101 1.00 0.00 N ATOM 889 CA VAL A 55 1.116 -4.132 -7.224 1.00 0.00 C ATOM 890 C VAL A 55 0.319 -5.298 -6.622 1.00 0.00 C ATOM 891 O VAL A 55 0.537 -6.460 -6.952 1.00 0.00 O ATOM 892 CB VAL A 55 2.511 -3.940 -6.601 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.407 -5.159 -6.863 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.177 -2.683 -7.200 1.00 0.00 C ATOM 0 H VAL A 55 0.756 -2.233 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 55 1.266 -4.393 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 55 2.389 -3.823 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.386 -4.995 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.950 -6.047 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.522 -5.302 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.164 -2.549 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.276 -2.803 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.562 -1.809 -6.987 1.00 0.00 H new ATOM 904 N LEU A 56 -0.643 -4.981 -5.762 1.00 0.00 N ATOM 905 CA LEU A 56 -1.480 -5.937 -5.046 1.00 0.00 C ATOM 906 C LEU A 56 -2.921 -5.958 -5.572 1.00 0.00 C ATOM 907 O LEU A 56 -3.737 -6.725 -5.060 1.00 0.00 O ATOM 908 CB LEU A 56 -1.456 -5.610 -3.541 1.00 0.00 C ATOM 909 CG LEU A 56 -0.050 -5.353 -2.961 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.161 -4.782 -1.552 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.842 -6.595 -2.957 1.00 0.00 C ATOM 0 H LEU A 56 -0.870 -4.013 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.072 -6.934 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.074 -4.730 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.914 -6.435 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 56 0.430 -4.630 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.837 -4.604 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.712 -3.842 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.687 -5.491 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.815 -6.343 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.377 -7.375 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.970 -6.954 -3.978 1.00 0.00 H new ATOM 923 N SER A 57 -3.294 -5.115 -6.538 1.00 0.00 N ATOM 924 CA SER A 57 -4.654 -5.120 -7.057 1.00 0.00 C ATOM 925 C SER A 57 -4.784 -6.227 -8.099 1.00 0.00 C ATOM 926 O SER A 57 -5.619 -7.128 -7.965 1.00 0.00 O ATOM 927 CB SER A 57 -5.039 -3.733 -7.579 1.00 0.00 C ATOM 928 OG SER A 57 -4.128 -3.228 -8.528 1.00 0.00 O ATOM 0 H SER A 57 -2.676 -4.428 -6.970 1.00 0.00 H new ATOM 0 HA SER A 57 -5.366 -5.339 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.031 -3.782 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.102 -3.040 -6.740 1.00 0.00 H new ATOM 0 HG SER A 57 -4.424 -2.343 -8.827 1.00 0.00 H new ATOM 934 N ASP A 58 -3.926 -6.177 -9.115 1.00 0.00 N ATOM 935 CA ASP A 58 -3.789 -7.218 -10.120 1.00 0.00 C ATOM 936 C ASP A 58 -3.240 -8.444 -9.404 1.00 0.00 C ATOM 937 O ASP A 58 -2.125 -8.410 -8.873 1.00 0.00 O ATOM 938 CB ASP A 58 -2.820 -6.774 -11.226 1.00 0.00 C ATOM 939 CG ASP A 58 -3.127 -7.276 -12.640 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.301 -7.490 -13.012 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.158 -7.396 -13.425 1.00 0.00 O ATOM 0 H ASP A 58 -3.293 -5.391 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.748 -7.432 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.801 -5.684 -11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.817 -7.105 -10.956 1.00 0.00 H new ATOM 946 N ALA A 59 -3.996 -9.534 -9.396 1.00 0.00 N ATOM 947 CA ALA A 59 -3.523 -10.810 -8.896 1.00 0.00 C ATOM 948 C ALA A 59 -2.227 -11.212 -9.602 1.00 0.00 C ATOM 949 O ALA A 59 -1.342 -11.784 -8.972 1.00 0.00 O ATOM 950 CB ALA A 59 -4.604 -11.860 -9.123 1.00 0.00 C ATOM 0 H ALA A 59 -4.957 -9.554 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.313 -10.730 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.259 -12.824 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.511 -11.569 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.817 -11.938 -10.189 1.00 0.00 H new ATOM 956 N LYS A 60 -2.103 -10.886 -10.891 1.00 0.00 N ATOM 957 CA LYS A 60 -0.959 -11.175 -11.743 1.00 0.00 C ATOM 958 C LYS A 60 0.230 -10.248 -11.468 1.00 0.00 C ATOM 959 O LYS A 60 1.362 -10.692 -11.626 1.00 0.00 O ATOM 960 CB LYS A 60 -1.466 -11.110 -13.191 1.00 0.00 C ATOM 961 CG LYS A 60 -0.519 -11.653 -14.267 1.00 0.00 C ATOM 962 CD LYS A 60 0.575 -10.673 -14.725 1.00 0.00 C ATOM 963 CE LYS A 60 0.681 -10.722 -16.256 1.00 0.00 C ATOM 964 NZ LYS A 60 1.432 -9.584 -16.817 1.00 0.00 N ATOM 0 H LYS A 60 -2.840 -10.387 -11.390 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.560 -12.167 -11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.404 -11.662 -13.250 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.693 -10.070 -13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.041 -12.556 -13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.110 -11.946 -15.135 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.336 -9.662 -14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.531 -10.938 -14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.166 -11.652 -16.552 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.321 -10.735 -16.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.471 -9.670 -17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.957 -8.695 -16.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.399 -9.583 -16.433 1.00 0.00 H new ATOM 978 N LYS A 61 0.035 -8.994 -11.027 1.00 0.00 N ATOM 979 CA LYS A 61 1.132 -8.212 -10.443 1.00 0.00 C ATOM 980 C LYS A 61 1.628 -8.950 -9.206 1.00 0.00 C ATOM 981 O LYS A 61 2.816 -9.278 -9.125 1.00 0.00 O ATOM 982 CB LYS A 61 0.701 -6.792 -10.055 1.00 0.00 C ATOM 983 CG LYS A 61 0.491 -5.847 -11.233 1.00 0.00 C ATOM 984 CD LYS A 61 1.640 -4.839 -11.330 1.00 0.00 C ATOM 985 CE LYS A 61 1.273 -3.682 -12.241 1.00 0.00 C ATOM 986 NZ LYS A 61 1.245 -4.062 -13.666 1.00 0.00 N ATOM 0 H LYS A 61 -0.861 -8.507 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 61 1.919 -8.110 -11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.226 -6.851 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.456 -6.365 -9.394 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.424 -6.420 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.455 -5.318 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.882 -4.462 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.533 -5.336 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.295 -3.296 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.990 -2.873 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.989 -3.234 -14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.184 -4.405 -13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.542 -4.815 -13.811 1.00 0.00 H new ATOM 1000 N ARG A 62 0.710 -9.227 -8.270 1.00 0.00 N ATOM 1001 CA ARG A 62 1.103 -9.856 -7.006 1.00 0.00 C ATOM 1002 C ARG A 62 1.808 -11.196 -7.246 1.00 0.00 C ATOM 1003 O ARG A 62 2.741 -11.523 -6.521 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.081 -10.019 -6.042 1.00 0.00 C ATOM 1005 CG ARG A 62 0.422 -10.262 -4.602 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.591 -10.888 -3.647 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.705 -9.992 -3.332 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.876 -9.938 -3.981 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -3.103 -10.670 -5.065 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -3.846 -9.146 -3.556 1.00 0.00 N ATOM 0 H ARG A 62 -0.287 -9.030 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 62 1.812 -9.181 -6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.705 -9.126 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.705 -10.854 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.299 -10.907 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.748 -9.309 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.982 -11.804 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.086 -11.170 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.578 -9.351 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.377 -11.292 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.003 -10.611 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.707 -8.569 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.734 -9.112 -4.057 1.00 0.00 H new ATOM 1024 N GLU A 63 1.392 -11.961 -8.255 1.00 0.00 N ATOM 1025 CA GLU A 63 1.924 -13.286 -8.563 1.00 0.00 C ATOM 1026 C GLU A 63 3.444 -13.277 -8.753 1.00 0.00 C ATOM 1027 O GLU A 63 4.097 -14.250 -8.385 1.00 0.00 O ATOM 1028 CB GLU A 63 1.175 -13.838 -9.790 1.00 0.00 C ATOM 1029 CG GLU A 63 1.575 -15.265 -10.186 1.00 0.00 C ATOM 1030 CD GLU A 63 0.496 -15.959 -11.026 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -0.608 -16.211 -10.478 1.00 0.00 O ATOM 1032 OE2 GLU A 63 0.719 -16.277 -12.222 1.00 0.00 O ATOM 0 H GLU A 63 0.656 -11.667 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 63 1.755 -13.949 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.104 -13.817 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.352 -13.175 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.508 -15.236 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.764 -15.850 -9.286 1.00 0.00 H new ATOM 1039 N LEU A 64 4.020 -12.193 -9.286 1.00 0.00 N ATOM 1040 CA LEU A 64 5.469 -12.108 -9.485 1.00 0.00 C ATOM 1041 C LEU A 64 6.129 -11.524 -8.242 1.00 0.00 C ATOM 1042 O LEU A 64 7.147 -12.041 -7.800 1.00 0.00 O ATOM 1043 CB LEU A 64 5.819 -11.277 -10.735 1.00 0.00 C ATOM 1044 CG LEU A 64 5.737 -12.038 -12.074 1.00 0.00 C ATOM 1045 CD1 LEU A 64 6.826 -13.112 -12.204 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.363 -12.655 -12.321 1.00 0.00 C ATOM 0 H LEU A 64 3.505 -11.365 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 64 5.852 -13.115 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.148 -10.420 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.829 -10.885 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 64 5.907 -11.284 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.725 -13.619 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.808 -12.643 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.719 -13.838 -11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.365 -13.177 -13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.132 -13.361 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.609 -11.868 -12.339 1.00 0.00 H new ATOM 1058 N TYR A 65 5.568 -10.459 -7.674 1.00 0.00 N ATOM 1059 CA TYR A 65 5.921 -9.861 -6.384 1.00 0.00 C ATOM 1060 C TYR A 65 6.105 -10.919 -5.290 1.00 0.00 C ATOM 1061 O TYR A 65 7.041 -10.821 -4.496 1.00 0.00 O ATOM 1062 CB TYR A 65 4.820 -8.855 -6.035 1.00 0.00 C ATOM 1063 CG TYR A 65 4.754 -8.387 -4.600 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.622 -7.376 -4.162 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.792 -8.924 -3.721 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.496 -6.869 -2.861 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.644 -8.407 -2.422 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.497 -7.361 -1.991 1.00 0.00 C ATOM 1069 OH TYR A 65 4.369 -6.811 -0.752 1.00 0.00 O ATOM 0 H TYR A 65 4.806 -9.957 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 65 6.884 -9.355 -6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.945 -7.980 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.859 -9.301 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.383 -6.990 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.164 -9.739 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.168 -6.095 -2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.888 -8.803 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 65 3.900 -7.438 -0.163 1.00 0.00 H new ATOM 1079 N ASP A 66 5.269 -11.959 -5.304 1.00 0.00 N ATOM 1080 CA ASP A 66 5.274 -13.086 -4.381 1.00 0.00 C ATOM 1081 C ASP A 66 6.651 -13.734 -4.230 1.00 0.00 C ATOM 1082 O ASP A 66 7.090 -13.981 -3.103 1.00 0.00 O ATOM 1083 CB ASP A 66 4.285 -14.130 -4.897 1.00 0.00 C ATOM 1084 CG ASP A 66 4.171 -15.312 -3.943 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.363 -15.216 -2.991 1.00 0.00 O ATOM 1086 OD2 ASP A 66 4.774 -16.376 -4.205 1.00 0.00 O ATOM 0 H ASP A 66 4.529 -12.038 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 66 4.993 -12.710 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.305 -13.671 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.605 -14.482 -5.878 1.00 0.00 H new ATOM 1091 N LYS A 67 7.326 -14.003 -5.349 1.00 0.00 N ATOM 1092 CA LYS A 67 8.492 -14.892 -5.392 1.00 0.00 C ATOM 1093 C LYS A 67 9.675 -14.342 -6.190 1.00 0.00 C ATOM 1094 O LYS A 67 10.759 -14.916 -6.117 1.00 0.00 O ATOM 1095 CB LYS A 67 8.058 -16.259 -5.952 1.00 0.00 C ATOM 1096 CG LYS A 67 7.636 -16.187 -7.432 1.00 0.00 C ATOM 1097 CD LYS A 67 7.432 -17.575 -8.041 1.00 0.00 C ATOM 1098 CE LYS A 67 7.353 -17.428 -9.564 1.00 0.00 C ATOM 1099 NZ LYS A 67 7.223 -18.722 -10.256 1.00 0.00 N ATOM 0 H LYS A 67 7.079 -13.609 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 67 8.855 -14.985 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.879 -16.968 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.227 -16.643 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.712 -15.615 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.397 -15.651 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.255 -18.235 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.518 -18.028 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.502 -16.797 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.247 -16.918 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.174 -18.563 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.047 -19.317 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.356 -19.200 -9.938 1.00 0.00 H new ATOM 1113 N GLY A 68 9.475 -13.296 -6.987 1.00 0.00 N ATOM 1114 CA GLY A 68 10.413 -12.840 -8.000 1.00 0.00 C ATOM 1115 C GLY A 68 10.606 -11.332 -7.965 1.00 0.00 C ATOM 1116 O GLY A 68 11.742 -10.886 -8.104 1.00 0.00 O ATOM 0 H GLY A 68 8.629 -12.727 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.374 -13.331 -7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.054 -13.136 -8.986 1.00 0.00 H new ATOM 1120 N GLY A 69 9.539 -10.527 -7.829 1.00 0.00 N ATOM 1121 CA GLY A 69 9.608 -9.107 -7.477 1.00 0.00 C ATOM 1122 C GLY A 69 10.198 -8.194 -8.551 1.00 0.00 C ATOM 1123 O GLY A 69 10.052 -6.975 -8.464 1.00 0.00 O ATOM 0 H GLY A 69 8.584 -10.858 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.602 -8.759 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.202 -9.003 -6.569 1.00 0.00 H new ATOM 1127 N GLU A 70 10.834 -8.744 -9.579 1.00 0.00 N ATOM 1128 CA GLU A 70 11.632 -8.024 -10.545 1.00 0.00 C ATOM 1129 C GLU A 70 11.921 -8.953 -11.725 1.00 0.00 C ATOM 1130 O GLU A 70 13.003 -8.918 -12.304 1.00 0.00 O ATOM 1131 CB GLU A 70 12.912 -7.484 -9.879 1.00 0.00 C ATOM 1132 CG GLU A 70 13.260 -6.094 -10.435 1.00 0.00 C ATOM 1133 CD GLU A 70 13.406 -6.045 -11.960 1.00 0.00 C ATOM 1134 OE1 GLU A 70 12.387 -5.868 -12.669 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.540 -6.179 -12.481 1.00 0.00 O ATOM 0 H GLU A 70 10.802 -9.747 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 70 11.094 -7.155 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.771 -7.426 -8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.739 -8.171 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.485 -5.390 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.192 -5.756 -9.981 1.00 0.00 H new ATOM 1142 N GLN A 71 10.937 -9.780 -12.101 1.00 0.00 N ATOM 1143 CA GLN A 71 10.986 -10.607 -13.311 1.00 0.00 C ATOM 1144 C GLN A 71 12.046 -11.674 -13.124 1.00 0.00 C ATOM 1145 O GLN A 71 12.637 -12.131 -14.125 1.00 0.00 O ATOM 1146 CB GLN A 71 11.198 -9.729 -14.572 1.00 0.00 C ATOM 1147 CG GLN A 71 10.335 -8.453 -14.600 1.00 0.00 C ATOM 1148 CD GLN A 71 10.814 -7.464 -15.646 1.00 0.00 C ATOM 1149 OE1 GLN A 71 10.314 -7.470 -16.769 1.00 0.00 O ATOM 1150 NE2 GLN A 71 11.740 -6.592 -15.282 1.00 0.00 N ATOM 0 H GLN A 71 10.076 -9.894 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 71 10.034 -11.112 -13.472 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.249 -9.446 -14.632 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.977 -10.324 -15.458 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.298 -8.721 -14.803 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.355 -7.980 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.128 -6.624 -14.339 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.066 -5.888 -15.944 1.00 0.00 H new TER 1159 GLN A 71