USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 798 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 103 LYS NZ :NH3+ -150:sc= 1.87 (180deg=-0.232) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.17 K(o=2,f=-6.7) USER MOD Set 2.1: A 18 ASN : amide:sc=-0.00247 K(o=0.65,f=-8.5!) USER MOD Set 2.2: A 21 THR OG1 : rot 4:sc= 0.653 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.328 K(o=-0.33,f=-1) USER MOD Single : A 25 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=0.69) USER MOD Single : A 35 THR OG1 : rot 77:sc= 0.978 USER MOD Single : A 36 HIS : no HE2:sc= 0.723 K(o=0.72,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 104:sc= 1.14 USER MOD Single : A 46 ASN : amide:sc= -0.368 K(o=-0.37,f=-0.89) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc=-0.00508 (180deg=-0.111) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.675 (180deg=0.501) USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 60 SER OG : rot 10:sc= -0.932! USER MOD Single : A 67 SER OG : rot -128:sc= 0.00818 USER MOD Single : A 70 TYR OH : rot -132:sc= 1.25 USER MOD Single : A 72 GLN : amide:sc= -0.791 K(o=-0.79,f=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.801) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 94 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 139:sc= 1.01 (180deg=-0.81!) USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.0985 (180deg=-0.452) USER MOD Single : A 110 GLN : amide:sc= -0.0361 K(o=-0.036,f=-0.61) USER MOD Single : A 112 SER OG : rot 64:sc= 0.924 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 9.509 12.786 3.715 1.00 0.00 N ATOM 2 CA ASN A 18 10.834 12.318 3.300 1.00 0.00 C ATOM 3 C ASN A 18 10.748 11.786 1.885 1.00 0.00 C ATOM 4 O ASN A 18 9.661 11.727 1.316 1.00 0.00 O ATOM 5 CB ASN A 18 11.418 11.255 4.288 1.00 0.00 C ATOM 6 CG ASN A 18 10.546 10.011 4.473 1.00 0.00 C ATOM 7 OD1 ASN A 18 9.821 9.616 3.583 1.00 0.00 O ATOM 8 ND2 ASN A 18 10.641 9.378 5.614 1.00 0.00 N ATOM 0 HA ASN A 18 11.528 13.158 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.399 10.945 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.568 11.725 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.098 8.530 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.258 9.733 6.344 1.00 0.00 H new ATOM 17 N THR A 19 11.862 11.396 1.310 1.00 0.00 N ATOM 18 CA THR A 19 11.872 10.892 -0.054 1.00 0.00 C ATOM 19 C THR A 19 11.101 9.550 -0.173 1.00 0.00 C ATOM 20 O THR A 19 10.540 9.236 -1.217 1.00 0.00 O ATOM 21 CB THR A 19 13.324 10.762 -0.550 1.00 0.00 C ATOM 22 OG1 THR A 19 13.983 12.022 -0.318 1.00 0.00 O ATOM 23 CG2 THR A 19 13.382 10.440 -2.042 1.00 0.00 C ATOM 0 H THR A 19 12.776 11.416 1.761 1.00 0.00 H new ATOM 0 HA THR A 19 11.352 11.606 -0.693 1.00 0.00 H new ATOM 0 HB THR A 19 13.811 9.948 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.912 11.966 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.422 10.356 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.869 9.497 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.896 11.237 -2.605 1.00 0.00 H new ATOM 31 N ALA A 20 11.021 8.812 0.925 1.00 0.00 N ATOM 32 CA ALA A 20 10.317 7.540 0.941 1.00 0.00 C ATOM 33 C ALA A 20 8.813 7.749 0.767 1.00 0.00 C ATOM 34 O ALA A 20 8.163 7.029 0.013 1.00 0.00 O ATOM 35 CB ALA A 20 10.608 6.800 2.226 1.00 0.00 C ATOM 0 H ALA A 20 11.437 9.074 1.819 1.00 0.00 H new ATOM 0 HA ALA A 20 10.671 6.938 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.075 5.849 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.679 6.616 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.279 7.401 3.074 1.00 0.00 H new ATOM 41 N THR A 21 8.273 8.746 1.438 1.00 0.00 N ATOM 42 CA THR A 21 6.870 9.063 1.325 1.00 0.00 C ATOM 43 C THR A 21 6.567 9.720 -0.016 1.00 0.00 C ATOM 44 O THR A 21 5.469 9.600 -0.552 1.00 0.00 O ATOM 45 CB THR A 21 6.405 9.953 2.485 1.00 0.00 C ATOM 46 OG1 THR A 21 7.281 11.093 2.627 1.00 0.00 O ATOM 47 CG2 THR A 21 6.392 9.174 3.776 1.00 0.00 C ATOM 0 H THR A 21 8.793 9.353 2.072 1.00 0.00 H new ATOM 0 HA THR A 21 6.314 8.127 1.379 1.00 0.00 H new ATOM 0 HB THR A 21 5.395 10.298 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.946 11.086 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.060 9.821 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.711 8.328 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.396 8.809 3.991 1.00 0.00 H new ATOM 55 N GLN A 22 7.551 10.409 -0.548 1.00 0.00 N ATOM 56 CA GLN A 22 7.456 10.983 -1.868 1.00 0.00 C ATOM 57 C GLN A 22 7.408 9.883 -2.915 1.00 0.00 C ATOM 58 O GLN A 22 6.764 10.028 -3.955 1.00 0.00 O ATOM 59 CB GLN A 22 8.573 11.994 -2.123 1.00 0.00 C ATOM 60 CG GLN A 22 8.408 13.267 -1.300 1.00 0.00 C ATOM 61 CD GLN A 22 7.148 14.032 -1.686 1.00 0.00 C ATOM 62 OE1 GLN A 22 6.723 14.003 -2.841 1.00 0.00 O ATOM 63 NE2 GLN A 22 6.529 14.691 -0.746 1.00 0.00 N ATOM 0 H GLN A 22 8.438 10.586 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 22 6.524 11.544 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.534 11.536 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.592 12.250 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.368 13.012 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.279 13.907 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.903 14.698 0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.671 15.199 -0.960 1.00 0.00 H new ATOM 72 N ARG A 23 8.130 8.805 -2.658 1.00 0.00 N ATOM 73 CA ARG A 23 8.083 7.644 -3.508 1.00 0.00 C ATOM 74 C ARG A 23 6.747 6.907 -3.317 1.00 0.00 C ATOM 75 O ARG A 23 6.062 6.622 -4.289 1.00 0.00 O ATOM 76 CB ARG A 23 9.289 6.719 -3.239 1.00 0.00 C ATOM 77 CG ARG A 23 9.383 5.435 -4.096 1.00 0.00 C ATOM 78 CD ARG A 23 9.430 5.710 -5.610 1.00 0.00 C ATOM 79 NE ARG A 23 8.107 6.054 -6.160 1.00 0.00 N ATOM 80 CZ ARG A 23 7.863 6.900 -7.172 1.00 0.00 C ATOM 81 NH1 ARG A 23 8.856 7.606 -7.726 1.00 0.00 N ATOM 82 NH2 ARG A 23 6.608 7.058 -7.607 1.00 0.00 N ATOM 0 H ARG A 23 8.758 8.717 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 23 8.147 7.963 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.201 7.296 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.266 6.427 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.275 4.880 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.526 4.798 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.126 6.526 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.817 4.830 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 23 7.298 5.605 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.810 7.504 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.659 8.246 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.847 6.538 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.412 7.699 -8.376 1.00 0.00 H new ATOM 96 N PHE A 24 6.340 6.653 -2.081 1.00 0.00 N ATOM 97 CA PHE A 24 5.072 5.975 -1.861 1.00 0.00 C ATOM 98 C PHE A 24 3.953 6.972 -1.690 1.00 0.00 C ATOM 99 O PHE A 24 3.556 7.310 -0.571 1.00 0.00 O ATOM 100 CB PHE A 24 5.105 4.944 -0.707 1.00 0.00 C ATOM 101 CG PHE A 24 5.871 3.678 -1.022 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.668 3.025 -2.229 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.770 3.123 -0.114 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.339 1.862 -2.531 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.443 1.955 -0.423 1.00 0.00 C ATOM 106 CZ PHE A 24 7.227 1.328 -1.630 1.00 0.00 C ATOM 0 H PHE A 24 6.855 6.899 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 24 4.880 5.389 -2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.549 5.414 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.081 4.679 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.971 3.437 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.942 3.607 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.167 1.369 -3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.141 1.533 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.756 0.417 -1.868 1.00 0.00 H new ATOM 116 N HIS A 25 3.458 7.450 -2.809 1.00 0.00 N ATOM 117 CA HIS A 25 2.438 8.490 -2.806 1.00 0.00 C ATOM 118 C HIS A 25 1.227 8.093 -3.643 1.00 0.00 C ATOM 119 O HIS A 25 0.103 8.498 -3.360 1.00 0.00 O ATOM 120 CB HIS A 25 3.011 9.873 -3.232 1.00 0.00 C ATOM 121 CG HIS A 25 3.501 10.010 -4.660 1.00 0.00 C ATOM 122 ND1 HIS A 25 3.306 11.148 -5.399 1.00 0.00 N ATOM 123 CD2 HIS A 25 4.229 9.179 -5.452 1.00 0.00 C ATOM 124 CE1 HIS A 25 3.886 11.016 -6.577 1.00 0.00 C ATOM 125 NE2 HIS A 25 4.453 9.832 -6.636 1.00 0.00 N ATOM 0 H HIS A 25 3.742 7.139 -3.738 1.00 0.00 H new ATOM 0 HA HIS A 25 2.096 8.597 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.239 10.624 -3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.839 10.115 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.569 8.186 -5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.893 11.758 -7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.973 9.461 -7.431 1.00 0.00 H new ATOM 134 N GLU A 26 1.451 7.253 -4.632 1.00 0.00 N ATOM 135 CA GLU A 26 0.379 6.768 -5.479 1.00 0.00 C ATOM 136 C GLU A 26 -0.442 5.774 -4.693 1.00 0.00 C ATOM 137 O GLU A 26 -1.655 5.781 -4.722 1.00 0.00 O ATOM 138 CB GLU A 26 0.890 6.162 -6.826 1.00 0.00 C ATOM 139 CG GLU A 26 1.960 5.052 -6.735 1.00 0.00 C ATOM 140 CD GLU A 26 3.302 5.543 -6.229 1.00 0.00 C ATOM 141 OE1 GLU A 26 3.497 5.590 -5.001 1.00 0.00 O ATOM 142 OE2 GLU A 26 4.166 5.923 -7.053 1.00 0.00 O ATOM 0 H GLU A 26 2.373 6.889 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.243 7.615 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.031 5.761 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.295 6.974 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.598 4.264 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.094 4.606 -7.721 1.00 0.00 H new ATOM 149 N ILE A 27 0.246 4.973 -3.928 1.00 0.00 N ATOM 150 CA ILE A 27 -0.390 4.015 -3.068 1.00 0.00 C ATOM 151 C ILE A 27 -1.113 4.750 -1.912 1.00 0.00 C ATOM 152 O ILE A 27 -2.188 4.345 -1.471 1.00 0.00 O ATOM 153 CB ILE A 27 0.632 2.953 -2.545 1.00 0.00 C ATOM 154 CG1 ILE A 27 -0.050 1.912 -1.665 1.00 0.00 C ATOM 155 CG2 ILE A 27 1.805 3.596 -1.816 1.00 0.00 C ATOM 156 CD1 ILE A 27 -1.098 1.101 -2.377 1.00 0.00 C ATOM 0 H ILE A 27 1.265 4.966 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.138 3.466 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 27 1.034 2.445 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.707 1.237 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.510 2.415 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.488 2.820 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.331 4.267 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.436 4.161 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.536 0.383 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.877 1.764 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.641 0.568 -3.211 1.00 0.00 H new ATOM 168 N GLU A 28 -0.519 5.856 -1.477 1.00 0.00 N ATOM 169 CA GLU A 28 -1.060 6.672 -0.401 1.00 0.00 C ATOM 170 C GLU A 28 -2.414 7.255 -0.809 1.00 0.00 C ATOM 171 O GLU A 28 -3.408 7.134 -0.077 1.00 0.00 O ATOM 172 CB GLU A 28 -0.075 7.805 -0.088 1.00 0.00 C ATOM 173 CG GLU A 28 -0.465 8.695 1.073 1.00 0.00 C ATOM 174 CD GLU A 28 -0.426 7.973 2.388 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.647 7.953 3.030 1.00 0.00 O ATOM 176 OE2 GLU A 28 -1.457 7.434 2.826 1.00 0.00 O ATOM 0 H GLU A 28 0.355 6.212 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.203 6.054 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.902 7.368 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.037 8.424 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.208 9.552 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.469 9.086 0.906 1.00 0.00 H new ATOM 183 N LYS A 29 -2.467 7.828 -2.005 1.00 0.00 N ATOM 184 CA LYS A 29 -3.705 8.407 -2.489 1.00 0.00 C ATOM 185 C LYS A 29 -4.751 7.327 -2.681 1.00 0.00 C ATOM 186 O LYS A 29 -5.915 7.542 -2.382 1.00 0.00 O ATOM 187 CB LYS A 29 -3.529 9.246 -3.767 1.00 0.00 C ATOM 188 CG LYS A 29 -3.088 8.461 -4.985 1.00 0.00 C ATOM 189 CD LYS A 29 -3.045 9.308 -6.237 1.00 0.00 C ATOM 190 CE LYS A 29 -2.045 10.447 -6.125 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.019 11.271 -7.344 1.00 0.00 N ATOM 0 H LYS A 29 -1.677 7.902 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.047 9.103 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.474 9.741 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.797 10.030 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.100 8.038 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.769 7.624 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.785 8.681 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.037 9.715 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.300 11.072 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.051 10.041 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.325 12.038 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.752 10.680 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.962 11.679 -7.508 1.00 0.00 H new ATOM 205 N PHE A 30 -4.317 6.143 -3.129 1.00 0.00 N ATOM 206 CA PHE A 30 -5.218 5.017 -3.295 1.00 0.00 C ATOM 207 C PHE A 30 -5.891 4.692 -2.005 1.00 0.00 C ATOM 208 O PHE A 30 -7.080 4.533 -1.977 1.00 0.00 O ATOM 209 CB PHE A 30 -4.498 3.778 -3.789 1.00 0.00 C ATOM 210 CG PHE A 30 -4.621 3.537 -5.260 1.00 0.00 C ATOM 211 CD1 PHE A 30 -3.743 4.113 -6.158 1.00 0.00 C ATOM 212 CD2 PHE A 30 -5.629 2.722 -5.745 1.00 0.00 C ATOM 213 CE1 PHE A 30 -3.865 3.881 -7.509 1.00 0.00 C ATOM 214 CE2 PHE A 30 -5.758 2.486 -7.092 1.00 0.00 C ATOM 215 CZ PHE A 30 -4.876 3.066 -7.976 1.00 0.00 C ATOM 0 H PHE A 30 -3.348 5.949 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.954 5.314 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.442 3.861 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.887 2.910 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.952 4.753 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.323 2.266 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.172 4.335 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.549 1.847 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.975 2.883 -9.036 1.00 0.00 H new ATOM 225 N LEU A 31 -5.125 4.681 -0.934 1.00 0.00 N ATOM 226 CA LEU A 31 -5.624 4.365 0.401 1.00 0.00 C ATOM 227 C LEU A 31 -6.754 5.338 0.762 1.00 0.00 C ATOM 228 O LEU A 31 -7.841 4.923 1.228 1.00 0.00 O ATOM 229 CB LEU A 31 -4.422 4.460 1.394 1.00 0.00 C ATOM 230 CG LEU A 31 -4.582 4.016 2.871 1.00 0.00 C ATOM 231 CD1 LEU A 31 -5.566 4.862 3.666 1.00 0.00 C ATOM 232 CD2 LEU A 31 -4.921 2.554 2.961 1.00 0.00 C ATOM 0 H LEU A 31 -4.127 4.892 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.038 3.358 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.607 3.874 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.095 5.500 1.405 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.611 4.180 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.623 4.489 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.230 5.899 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.551 4.805 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.028 2.269 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.857 2.365 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.124 1.967 2.504 1.00 0.00 H new ATOM 244 N LEU A 32 -6.515 6.604 0.503 1.00 0.00 N ATOM 245 CA LEU A 32 -7.480 7.655 0.805 1.00 0.00 C ATOM 246 C LEU A 32 -8.745 7.449 -0.024 1.00 0.00 C ATOM 247 O LEU A 32 -9.882 7.522 0.476 1.00 0.00 O ATOM 248 CB LEU A 32 -6.892 9.028 0.484 1.00 0.00 C ATOM 249 CG LEU A 32 -5.464 9.260 0.961 1.00 0.00 C ATOM 250 CD1 LEU A 32 -4.961 10.632 0.538 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.331 9.075 2.470 1.00 0.00 C ATOM 0 H LEU A 32 -5.651 6.941 0.078 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.721 7.607 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.924 9.174 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.533 9.790 0.927 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.840 8.505 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.939 10.770 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.982 10.708 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.601 11.403 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.297 9.250 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.981 9.784 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.619 8.059 2.739 1.00 0.00 H new ATOM 263 N HIS A 33 -8.533 7.163 -1.280 1.00 0.00 N ATOM 264 CA HIS A 33 -9.636 6.944 -2.225 1.00 0.00 C ATOM 265 C HIS A 33 -10.408 5.704 -1.928 1.00 0.00 C ATOM 266 O HIS A 33 -11.618 5.690 -2.054 1.00 0.00 O ATOM 267 CB HIS A 33 -9.179 6.982 -3.679 1.00 0.00 C ATOM 268 CG HIS A 33 -8.877 8.359 -4.095 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.735 9.123 -4.817 1.00 0.00 N ATOM 270 CD2 HIS A 33 -7.870 9.152 -3.756 1.00 0.00 C ATOM 271 CE1 HIS A 33 -9.267 10.329 -4.882 1.00 0.00 C ATOM 272 NE2 HIS A 33 -8.126 10.369 -4.232 1.00 0.00 N ATOM 0 H HIS A 33 -7.604 7.072 -1.692 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.316 7.784 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.294 6.357 -3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.956 6.566 -4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.995 8.862 -3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.736 11.161 -5.386 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.536 11.193 -4.112 1.00 0.00 H new ATOM 281 N ILE A 34 -9.715 4.692 -1.488 1.00 0.00 N ATOM 282 CA ILE A 34 -10.343 3.416 -1.128 1.00 0.00 C ATOM 283 C ILE A 34 -11.315 3.627 0.032 1.00 0.00 C ATOM 284 O ILE A 34 -12.462 3.209 -0.030 1.00 0.00 O ATOM 285 CB ILE A 34 -9.282 2.312 -0.766 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.476 1.909 -2.010 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.941 1.079 -0.142 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.289 1.018 -1.714 1.00 0.00 C ATOM 0 H ILE A 34 -8.703 4.710 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.890 3.057 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.604 2.740 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.137 1.395 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.124 2.811 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.177 0.339 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.462 1.368 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.654 0.652 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.773 0.779 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.604 1.535 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.634 0.097 -1.243 1.00 0.00 H new ATOM 300 N THR A 35 -10.869 4.356 1.034 1.00 0.00 N ATOM 301 CA THR A 35 -11.676 4.636 2.211 1.00 0.00 C ATOM 302 C THR A 35 -12.961 5.427 1.817 1.00 0.00 C ATOM 303 O THR A 35 -14.092 5.098 2.246 1.00 0.00 O ATOM 304 CB THR A 35 -10.869 5.482 3.195 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.552 4.904 3.404 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.577 5.567 4.521 1.00 0.00 C ATOM 0 H THR A 35 -9.938 4.772 1.059 1.00 0.00 H new ATOM 0 HA THR A 35 -11.959 3.688 2.668 1.00 0.00 H new ATOM 0 HB THR A 35 -10.766 6.481 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.981 5.102 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.988 6.173 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.557 6.024 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.699 4.565 4.933 1.00 0.00 H new ATOM 314 N HIS A 36 -12.778 6.446 0.980 1.00 0.00 N ATOM 315 CA HIS A 36 -13.888 7.281 0.521 1.00 0.00 C ATOM 316 C HIS A 36 -14.826 6.513 -0.375 1.00 0.00 C ATOM 317 O HIS A 36 -16.034 6.687 -0.298 1.00 0.00 O ATOM 318 CB HIS A 36 -13.397 8.544 -0.179 1.00 0.00 C ATOM 319 CG HIS A 36 -12.903 9.607 0.750 1.00 0.00 C ATOM 320 ND1 HIS A 36 -11.577 9.779 1.073 1.00 0.00 N ATOM 321 CD2 HIS A 36 -13.572 10.582 1.403 1.00 0.00 C ATOM 322 CE1 HIS A 36 -11.460 10.812 1.882 1.00 0.00 C ATOM 323 NE2 HIS A 36 -12.650 11.313 2.097 1.00 0.00 N ATOM 0 H HIS A 36 -11.869 6.715 0.604 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.440 7.584 1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.595 8.276 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.209 8.952 -0.781 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -10.807 9.199 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.638 10.752 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.536 11.184 2.299 1.00 0.00 H new ATOM 332 N GLU A 37 -14.263 5.638 -1.195 1.00 0.00 N ATOM 333 CA GLU A 37 -15.012 4.802 -2.084 1.00 0.00 C ATOM 334 C GLU A 37 -15.953 3.936 -1.269 1.00 0.00 C ATOM 335 O GLU A 37 -17.091 3.809 -1.614 1.00 0.00 O ATOM 336 CB GLU A 37 -14.064 3.927 -2.895 1.00 0.00 C ATOM 337 CG GLU A 37 -14.692 3.274 -4.104 1.00 0.00 C ATOM 338 CD GLU A 37 -14.939 4.258 -5.210 1.00 0.00 C ATOM 339 OE1 GLU A 37 -15.990 4.915 -5.232 1.00 0.00 O ATOM 340 OE2 GLU A 37 -14.061 4.422 -6.069 1.00 0.00 O ATOM 0 H GLU A 37 -13.254 5.497 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.589 5.419 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.221 4.535 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.663 3.149 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.041 2.478 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.634 2.808 -3.816 1.00 0.00 H new ATOM 347 N VAL A 38 -15.455 3.418 -0.133 1.00 0.00 N ATOM 348 CA VAL A 38 -16.209 2.600 0.785 1.00 0.00 C ATOM 349 C VAL A 38 -17.399 3.366 1.269 1.00 0.00 C ATOM 350 O VAL A 38 -18.521 2.903 1.171 1.00 0.00 O ATOM 351 CB VAL A 38 -15.356 2.178 2.036 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.216 1.460 3.070 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.219 1.264 1.648 1.00 0.00 C ATOM 0 H VAL A 38 -14.491 3.570 0.164 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.509 1.700 0.249 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.954 3.097 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.600 1.180 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.016 2.122 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.648 0.564 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.651 0.992 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.619 0.363 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.565 1.776 0.942 1.00 0.00 H new ATOM 363 N ASP A 39 -17.158 4.557 1.720 1.00 0.00 N ATOM 364 CA ASP A 39 -18.217 5.342 2.295 1.00 0.00 C ATOM 365 C ASP A 39 -19.275 5.690 1.238 1.00 0.00 C ATOM 366 O ASP A 39 -20.519 5.565 1.465 1.00 0.00 O ATOM 367 CB ASP A 39 -17.667 6.589 2.978 1.00 0.00 C ATOM 368 CG ASP A 39 -18.720 7.319 3.769 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.011 6.897 4.913 1.00 0.00 O ATOM 370 OD2 ASP A 39 -19.281 8.317 3.263 1.00 0.00 O ATOM 0 H ASP A 39 -16.244 5.010 1.704 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.707 4.743 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.849 6.307 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.251 7.259 2.226 1.00 0.00 H new ATOM 375 N ASP A 40 -18.788 6.015 0.059 1.00 0.00 N ATOM 376 CA ASP A 40 -19.616 6.372 -1.044 1.00 0.00 C ATOM 377 C ASP A 40 -20.410 5.190 -1.508 1.00 0.00 C ATOM 378 O ASP A 40 -21.601 5.298 -1.716 1.00 0.00 O ATOM 379 CB ASP A 40 -18.796 6.955 -2.192 1.00 0.00 C ATOM 380 CG ASP A 40 -19.645 7.201 -3.427 1.00 0.00 C ATOM 381 OD1 ASP A 40 -20.421 8.165 -3.452 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.555 6.410 -4.386 1.00 0.00 O ATOM 0 H ASP A 40 -17.790 6.035 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.307 7.145 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -18.340 7.892 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.983 6.273 -2.440 1.00 0.00 H new ATOM 387 N LEU A 41 -19.779 4.040 -1.589 1.00 0.00 N ATOM 388 CA LEU A 41 -20.447 2.870 -2.052 1.00 0.00 C ATOM 389 C LEU A 41 -21.491 2.419 -1.067 1.00 0.00 C ATOM 390 O LEU A 41 -22.542 1.962 -1.464 1.00 0.00 O ATOM 391 CB LEU A 41 -19.480 1.750 -2.515 1.00 0.00 C ATOM 392 CG LEU A 41 -18.426 1.245 -1.534 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.002 0.344 -0.484 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.275 0.588 -2.255 1.00 0.00 C ATOM 0 H LEU A 41 -18.800 3.902 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.981 3.139 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.084 0.896 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.961 2.107 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.039 2.120 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.209 0.014 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.757 0.885 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.459 -0.524 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.542 0.239 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.644 -0.259 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.807 1.309 -2.926 1.00 0.00 H new ATOM 406 N GLU A 42 -21.222 2.600 0.227 1.00 0.00 N ATOM 407 CA GLU A 42 -22.174 2.220 1.253 1.00 0.00 C ATOM 408 C GLU A 42 -23.467 3.004 1.138 1.00 0.00 C ATOM 409 O GLU A 42 -24.543 2.457 1.330 1.00 0.00 O ATOM 410 CB GLU A 42 -21.613 2.346 2.658 1.00 0.00 C ATOM 411 CG GLU A 42 -20.456 1.421 2.962 1.00 0.00 C ATOM 412 CD GLU A 42 -19.990 1.560 4.380 1.00 0.00 C ATOM 413 OE1 GLU A 42 -19.858 2.698 4.873 1.00 0.00 O ATOM 414 OE2 GLU A 42 -19.732 0.543 5.040 1.00 0.00 O ATOM 0 H GLU A 42 -20.356 3.006 0.581 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.386 1.165 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -21.289 3.375 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.413 2.152 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.757 0.390 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.630 1.638 2.285 1.00 0.00 H new ATOM 421 N LYS A 43 -23.371 4.275 0.767 1.00 0.00 N ATOM 422 CA LYS A 43 -24.583 5.092 0.642 1.00 0.00 C ATOM 423 C LYS A 43 -25.208 4.940 -0.743 1.00 0.00 C ATOM 424 O LYS A 43 -26.333 5.366 -1.003 1.00 0.00 O ATOM 425 CB LYS A 43 -24.334 6.575 1.053 1.00 0.00 C ATOM 426 CG LYS A 43 -23.223 7.347 0.308 1.00 0.00 C ATOM 427 CD LYS A 43 -23.573 7.711 -1.134 1.00 0.00 C ATOM 428 CE LYS A 43 -24.774 8.639 -1.224 1.00 0.00 C ATOM 429 NZ LYS A 43 -25.073 9.001 -2.615 1.00 0.00 N ATOM 0 H LYS A 43 -22.497 4.756 0.552 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.318 4.716 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.268 7.121 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.100 6.594 2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.000 8.261 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.314 6.745 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.713 8.188 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.779 6.800 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.643 8.155 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.581 9.542 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -25.897 9.634 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -24.252 9.485 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.281 8.140 -3.161 1.00 0.00 H new ATOM 443 N THR A 44 -24.445 4.355 -1.603 1.00 0.00 N ATOM 444 CA THR A 44 -24.777 4.137 -2.979 1.00 0.00 C ATOM 445 C THR A 44 -25.475 2.772 -3.205 1.00 0.00 C ATOM 446 O THR A 44 -26.398 2.669 -4.003 1.00 0.00 O ATOM 447 CB THR A 44 -23.469 4.287 -3.769 1.00 0.00 C ATOM 448 OG1 THR A 44 -23.098 5.663 -3.873 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.427 3.618 -5.097 1.00 0.00 C ATOM 0 H THR A 44 -23.523 3.995 -1.356 1.00 0.00 H new ATOM 0 HA THR A 44 -25.509 4.866 -3.326 1.00 0.00 H new ATOM 0 HB THR A 44 -22.731 3.743 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.365 5.852 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.456 3.792 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.581 2.547 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.212 4.024 -5.734 1.00 0.00 H new ATOM 457 N GLY A 45 -25.046 1.761 -2.491 1.00 0.00 N ATOM 458 CA GLY A 45 -25.646 0.449 -2.609 1.00 0.00 C ATOM 459 C GLY A 45 -24.758 -0.605 -2.007 1.00 0.00 C ATOM 460 O GLY A 45 -25.220 -1.437 -1.255 1.00 0.00 O ATOM 0 H GLY A 45 -24.281 1.819 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.615 0.442 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.827 0.221 -3.659 1.00 0.00 H new ATOM 464 N ASN A 46 -23.483 -0.570 -2.413 1.00 0.00 N ATOM 465 CA ASN A 46 -22.365 -1.399 -1.887 1.00 0.00 C ATOM 466 C ASN A 46 -22.426 -2.831 -2.388 1.00 0.00 C ATOM 467 O ASN A 46 -21.635 -3.680 -1.970 1.00 0.00 O ATOM 468 CB ASN A 46 -22.226 -1.296 -0.315 1.00 0.00 C ATOM 469 CG ASN A 46 -22.810 -2.438 0.557 1.00 0.00 C ATOM 470 OD1 ASN A 46 -23.757 -3.129 0.206 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.257 -2.583 1.732 1.00 0.00 N ATOM 0 H ASN A 46 -23.177 0.063 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.445 -0.979 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.165 -1.210 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.698 -0.365 -0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.614 -3.285 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.469 -1.994 2.001 1.00 0.00 H new ATOM 478 N LYS A 47 -23.270 -3.042 -3.389 1.00 0.00 N ATOM 479 CA LYS A 47 -23.585 -4.377 -3.881 1.00 0.00 C ATOM 480 C LYS A 47 -22.364 -5.080 -4.465 1.00 0.00 C ATOM 481 O LYS A 47 -22.038 -6.203 -4.079 1.00 0.00 O ATOM 482 CB LYS A 47 -24.660 -4.285 -4.969 1.00 0.00 C ATOM 483 CG LYS A 47 -25.907 -3.506 -4.573 1.00 0.00 C ATOM 484 CD LYS A 47 -26.875 -3.367 -5.740 1.00 0.00 C ATOM 485 CE LYS A 47 -27.491 -4.701 -6.159 1.00 0.00 C ATOM 486 NZ LYS A 47 -28.350 -5.285 -5.104 1.00 0.00 N ATOM 0 H LYS A 47 -23.756 -2.293 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 47 -23.940 -4.958 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -24.223 -3.819 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.955 -5.295 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.405 -4.011 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.621 -2.516 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -27.671 -2.674 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.352 -2.930 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -28.080 -4.557 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.695 -5.404 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -28.875 -6.094 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -27.757 -5.605 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -29.022 -4.567 -4.766 1.00 0.00 H new ATOM 500 N ASP A 48 -21.672 -4.406 -5.341 1.00 0.00 N ATOM 501 CA ASP A 48 -20.508 -4.987 -6.004 1.00 0.00 C ATOM 502 C ASP A 48 -19.280 -4.121 -5.853 1.00 0.00 C ATOM 503 O ASP A 48 -18.161 -4.631 -5.804 1.00 0.00 O ATOM 504 CB ASP A 48 -20.790 -5.239 -7.498 1.00 0.00 C ATOM 505 CG ASP A 48 -19.571 -5.735 -8.262 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.263 -6.939 -8.208 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.905 -4.930 -8.933 1.00 0.00 O ATOM 0 H ASP A 48 -21.885 -3.449 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.311 -5.940 -5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.592 -5.971 -7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.146 -4.316 -7.955 1.00 0.00 H new ATOM 512 N GLU A 49 -19.494 -2.818 -5.681 1.00 0.00 N ATOM 513 CA GLU A 49 -18.386 -1.844 -5.642 1.00 0.00 C ATOM 514 C GLU A 49 -17.468 -2.164 -4.505 1.00 0.00 C ATOM 515 O GLU A 49 -16.284 -2.066 -4.637 1.00 0.00 O ATOM 516 CB GLU A 49 -18.891 -0.408 -5.420 1.00 0.00 C ATOM 517 CG GLU A 49 -20.111 0.024 -6.207 1.00 0.00 C ATOM 518 CD GLU A 49 -19.955 -0.087 -7.688 1.00 0.00 C ATOM 519 OE1 GLU A 49 -19.306 0.779 -8.303 1.00 0.00 O ATOM 520 OE2 GLU A 49 -20.528 -1.023 -8.266 1.00 0.00 O ATOM 0 H GLU A 49 -20.420 -2.405 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.876 -1.909 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.112 -0.288 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.077 0.277 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.963 -0.581 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.345 1.058 -5.954 1.00 0.00 H new ATOM 527 N LYS A 50 -18.033 -2.581 -3.413 1.00 0.00 N ATOM 528 CA LYS A 50 -17.279 -2.844 -2.218 1.00 0.00 C ATOM 529 C LYS A 50 -16.357 -4.026 -2.396 1.00 0.00 C ATOM 530 O LYS A 50 -15.167 -3.937 -2.126 1.00 0.00 O ATOM 531 CB LYS A 50 -18.244 -3.039 -1.093 1.00 0.00 C ATOM 532 CG LYS A 50 -17.637 -3.193 0.263 1.00 0.00 C ATOM 533 CD LYS A 50 -18.611 -2.664 1.275 1.00 0.00 C ATOM 534 CE LYS A 50 -18.322 -3.160 2.651 1.00 0.00 C ATOM 535 NZ LYS A 50 -18.439 -4.624 2.733 1.00 0.00 N ATOM 0 H LYS A 50 -19.035 -2.750 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.631 -1.998 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.925 -2.188 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.845 -3.923 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.413 -4.241 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.694 -2.649 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.581 -1.574 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.622 -2.956 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.317 -2.858 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.012 -2.699 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.315 -4.927 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.378 -4.917 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.706 -5.065 2.141 1.00 0.00 H new ATOM 549 N ALA A 51 -16.904 -5.099 -2.895 1.00 0.00 N ATOM 550 CA ALA A 51 -16.124 -6.292 -3.172 1.00 0.00 C ATOM 551 C ALA A 51 -15.076 -6.009 -4.256 1.00 0.00 C ATOM 552 O ALA A 51 -13.919 -6.448 -4.156 1.00 0.00 O ATOM 553 CB ALA A 51 -17.035 -7.440 -3.580 1.00 0.00 C ATOM 0 H ALA A 51 -17.895 -5.180 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.599 -6.584 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.434 -8.326 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.735 -7.654 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.590 -7.163 -4.477 1.00 0.00 H new ATOM 559 N ARG A 52 -15.464 -5.226 -5.250 1.00 0.00 N ATOM 560 CA ARG A 52 -14.584 -4.878 -6.352 1.00 0.00 C ATOM 561 C ARG A 52 -13.461 -3.954 -5.874 1.00 0.00 C ATOM 562 O ARG A 52 -12.304 -4.111 -6.268 1.00 0.00 O ATOM 563 CB ARG A 52 -15.377 -4.218 -7.472 1.00 0.00 C ATOM 564 CG ARG A 52 -14.569 -3.961 -8.724 1.00 0.00 C ATOM 565 CD ARG A 52 -15.411 -3.315 -9.797 1.00 0.00 C ATOM 566 NE ARG A 52 -16.574 -4.122 -10.156 1.00 0.00 N ATOM 567 CZ ARG A 52 -16.965 -4.402 -11.394 1.00 0.00 C ATOM 568 NH1 ARG A 52 -16.247 -4.006 -12.442 1.00 0.00 N ATOM 569 NH2 ARG A 52 -18.080 -5.075 -11.570 1.00 0.00 N ATOM 0 H ARG A 52 -16.395 -4.815 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.133 -5.793 -6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.228 -4.851 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.780 -3.272 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.722 -3.317 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.161 -4.901 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.744 -2.336 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.799 -3.150 -10.684 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.133 -4.502 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.384 -3.480 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.559 -4.228 -13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.629 -5.373 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.397 -5.300 -12.513 1.00 0.00 H new ATOM 583 N LEU A 53 -13.808 -3.007 -5.026 1.00 0.00 N ATOM 584 CA LEU A 53 -12.861 -2.114 -4.425 1.00 0.00 C ATOM 585 C LEU A 53 -11.876 -2.878 -3.531 1.00 0.00 C ATOM 586 O LEU A 53 -10.690 -2.565 -3.484 1.00 0.00 O ATOM 587 CB LEU A 53 -13.602 -1.076 -3.619 1.00 0.00 C ATOM 588 CG LEU A 53 -12.744 -0.255 -2.722 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.816 0.666 -3.509 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.562 0.482 -1.702 1.00 0.00 C ATOM 0 H LEU A 53 -14.772 -2.841 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.286 -1.626 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.128 -0.411 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.360 -1.577 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.098 -0.938 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.207 1.247 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.167 0.068 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.410 1.341 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.903 1.071 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.264 1.144 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.113 -0.233 -1.092 1.00 0.00 H new ATOM 602 N LEU A 54 -12.362 -3.875 -2.829 1.00 0.00 N ATOM 603 CA LEU A 54 -11.491 -4.695 -2.012 1.00 0.00 C ATOM 604 C LEU A 54 -10.503 -5.455 -2.886 1.00 0.00 C ATOM 605 O LEU A 54 -9.346 -5.673 -2.505 1.00 0.00 O ATOM 606 CB LEU A 54 -12.263 -5.604 -1.054 1.00 0.00 C ATOM 607 CG LEU A 54 -13.133 -4.867 -0.019 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.761 -5.834 0.960 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.340 -3.787 0.712 1.00 0.00 C ATOM 0 H LEU A 54 -13.347 -4.138 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.915 -4.031 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.902 -6.265 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.551 -6.237 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.937 -4.374 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.369 -5.282 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.390 -6.542 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.977 -6.376 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.986 -3.288 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.498 -4.243 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.969 -3.058 -0.008 1.00 0.00 H new ATOM 621 N ARG A 55 -10.945 -5.823 -4.076 1.00 0.00 N ATOM 622 CA ARG A 55 -10.064 -6.466 -5.043 1.00 0.00 C ATOM 623 C ARG A 55 -9.018 -5.446 -5.514 1.00 0.00 C ATOM 624 O ARG A 55 -7.851 -5.792 -5.766 1.00 0.00 O ATOM 625 CB ARG A 55 -10.843 -7.032 -6.244 1.00 0.00 C ATOM 626 CG ARG A 55 -9.934 -7.641 -7.302 1.00 0.00 C ATOM 627 CD ARG A 55 -10.687 -8.137 -8.517 1.00 0.00 C ATOM 628 NE ARG A 55 -11.555 -9.286 -8.227 1.00 0.00 N ATOM 629 CZ ARG A 55 -11.751 -10.319 -9.058 1.00 0.00 C ATOM 630 NH1 ARG A 55 -11.084 -10.390 -10.205 1.00 0.00 N ATOM 631 NH2 ARG A 55 -12.605 -11.274 -8.734 1.00 0.00 N ATOM 0 H ARG A 55 -11.904 -5.690 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.573 -7.310 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.543 -7.790 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.435 -6.236 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.201 -6.897 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.379 -8.470 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.292 -7.324 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.972 -8.415 -9.291 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.042 -9.299 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.420 -9.657 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.236 -11.178 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.115 -11.225 -7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.755 -12.060 -9.366 1.00 0.00 H new ATOM 645 N GLU A 56 -9.435 -4.191 -5.587 1.00 0.00 N ATOM 646 CA GLU A 56 -8.563 -3.101 -5.937 1.00 0.00 C ATOM 647 C GLU A 56 -7.496 -2.871 -4.860 1.00 0.00 C ATOM 648 O GLU A 56 -6.338 -2.630 -5.180 1.00 0.00 O ATOM 649 CB GLU A 56 -9.359 -1.823 -6.243 1.00 0.00 C ATOM 650 CG GLU A 56 -8.498 -0.593 -6.453 1.00 0.00 C ATOM 651 CD GLU A 56 -9.259 0.560 -7.032 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.919 1.303 -6.288 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.222 0.746 -8.258 1.00 0.00 O ATOM 0 H GLU A 56 -10.397 -3.907 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.038 -3.376 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.962 -1.988 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.051 -1.633 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.064 -0.293 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.670 -0.844 -7.116 1.00 0.00 H new ATOM 660 N LEU A 57 -7.856 -2.998 -3.585 1.00 0.00 N ATOM 661 CA LEU A 57 -6.845 -2.854 -2.556 1.00 0.00 C ATOM 662 C LEU A 57 -5.882 -4.019 -2.631 1.00 0.00 C ATOM 663 O LEU A 57 -4.684 -3.875 -2.379 1.00 0.00 O ATOM 664 CB LEU A 57 -7.409 -2.576 -1.123 1.00 0.00 C ATOM 665 CG LEU A 57 -8.169 -3.668 -0.341 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.239 -4.747 0.207 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.934 -3.025 0.792 1.00 0.00 C ATOM 0 H LEU A 57 -8.801 -3.192 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.288 -1.940 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.567 -2.267 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.077 -1.718 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.854 -4.158 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.824 -5.491 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.714 -5.229 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.514 -4.293 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.473 -3.792 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.238 -2.515 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.644 -2.303 0.388 1.00 0.00 H new ATOM 679 N THR A 58 -6.410 -5.148 -3.053 1.00 0.00 N ATOM 680 CA THR A 58 -5.633 -6.335 -3.231 1.00 0.00 C ATOM 681 C THR A 58 -4.571 -6.126 -4.356 1.00 0.00 C ATOM 682 O THR A 58 -3.416 -6.560 -4.239 1.00 0.00 O ATOM 683 CB THR A 58 -6.553 -7.550 -3.519 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.547 -7.656 -2.460 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.754 -8.846 -3.579 1.00 0.00 C ATOM 0 H THR A 58 -7.398 -5.259 -3.281 1.00 0.00 H new ATOM 0 HA THR A 58 -5.094 -6.548 -2.308 1.00 0.00 H new ATOM 0 HB THR A 58 -7.034 -7.395 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.279 -7.027 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.427 -9.679 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.010 -8.778 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.253 -9.009 -2.625 1.00 0.00 H new ATOM 693 N VAL A 59 -4.948 -5.414 -5.409 1.00 0.00 N ATOM 694 CA VAL A 59 -3.994 -5.121 -6.467 1.00 0.00 C ATOM 695 C VAL A 59 -2.999 -4.051 -5.994 1.00 0.00 C ATOM 696 O VAL A 59 -1.807 -4.126 -6.296 1.00 0.00 O ATOM 697 CB VAL A 59 -4.635 -4.765 -7.868 1.00 0.00 C ATOM 698 CG1 VAL A 59 -5.328 -3.419 -7.898 1.00 0.00 C ATOM 699 CG2 VAL A 59 -3.603 -4.861 -8.984 1.00 0.00 C ATOM 0 H VAL A 59 -5.885 -5.037 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.460 -6.051 -6.660 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.412 -5.511 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.742 -3.245 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.132 -3.407 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.609 -2.634 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.072 -4.611 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.788 -4.164 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.209 -5.876 -9.029 1.00 0.00 H new ATOM 709 N SER A 60 -3.485 -3.068 -5.224 1.00 0.00 N ATOM 710 CA SER A 60 -2.620 -2.032 -4.708 1.00 0.00 C ATOM 711 C SER A 60 -1.535 -2.590 -3.786 1.00 0.00 C ATOM 712 O SER A 60 -0.352 -2.213 -3.880 1.00 0.00 O ATOM 713 CB SER A 60 -3.410 -0.860 -4.089 1.00 0.00 C ATOM 714 OG SER A 60 -4.343 -1.279 -3.116 1.00 0.00 O ATOM 0 H SER A 60 -4.465 -2.980 -4.954 1.00 0.00 H new ATOM 0 HA SER A 60 -2.091 -1.607 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.711 -0.157 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.934 -0.324 -4.880 1.00 0.00 H new ATOM 0 HG SER A 60 -4.197 -2.226 -2.909 1.00 0.00 H new ATOM 720 N GLU A 61 -1.914 -3.528 -2.955 1.00 0.00 N ATOM 721 CA GLU A 61 -0.960 -4.176 -2.083 1.00 0.00 C ATOM 722 C GLU A 61 -0.020 -5.046 -2.916 1.00 0.00 C ATOM 723 O GLU A 61 1.143 -5.198 -2.587 1.00 0.00 O ATOM 724 CB GLU A 61 -1.635 -4.980 -0.946 1.00 0.00 C ATOM 725 CG GLU A 61 -2.458 -6.164 -1.396 1.00 0.00 C ATOM 726 CD GLU A 61 -3.175 -6.845 -0.267 1.00 0.00 C ATOM 727 OE1 GLU A 61 -2.575 -7.680 0.425 1.00 0.00 O ATOM 728 OE2 GLU A 61 -4.360 -6.550 -0.025 1.00 0.00 O ATOM 0 H GLU A 61 -2.874 -3.861 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.379 -3.401 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.862 -5.334 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.277 -4.307 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.188 -5.832 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.807 -6.884 -1.892 1.00 0.00 H new ATOM 735 N ALA A 62 -0.527 -5.569 -4.029 1.00 0.00 N ATOM 736 CA ALA A 62 0.270 -6.399 -4.911 1.00 0.00 C ATOM 737 C ALA A 62 1.464 -5.655 -5.485 1.00 0.00 C ATOM 738 O ALA A 62 2.579 -6.192 -5.500 1.00 0.00 O ATOM 739 CB ALA A 62 -0.569 -7.028 -6.010 1.00 0.00 C ATOM 0 H ALA A 62 -1.489 -5.429 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 62 0.665 -7.208 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.067 -7.641 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.344 -7.651 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.033 -6.243 -6.608 1.00 0.00 H new ATOM 745 N PHE A 63 1.274 -4.427 -5.950 1.00 0.00 N ATOM 746 CA PHE A 63 2.431 -3.706 -6.473 1.00 0.00 C ATOM 747 C PHE A 63 3.317 -3.183 -5.363 1.00 0.00 C ATOM 748 O PHE A 63 4.538 -3.119 -5.517 1.00 0.00 O ATOM 749 CB PHE A 63 2.116 -2.647 -7.553 1.00 0.00 C ATOM 750 CG PHE A 63 1.032 -1.704 -7.217 1.00 0.00 C ATOM 751 CD1 PHE A 63 1.236 -0.670 -6.323 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.206 -1.864 -7.784 1.00 0.00 C ATOM 753 CE1 PHE A 63 0.210 0.170 -5.997 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.227 -1.025 -7.476 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.020 -0.013 -6.578 1.00 0.00 C ATOM 0 H PHE A 63 0.384 -3.930 -5.978 1.00 0.00 H new ATOM 0 HA PHE A 63 3.004 -4.455 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.023 -2.076 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.853 -3.162 -8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.211 -0.526 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.371 -2.669 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.365 0.971 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.196 -1.155 -7.936 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.834 0.649 -6.324 1.00 0.00 H new ATOM 765 N ILE A 64 2.712 -2.839 -4.226 1.00 0.00 N ATOM 766 CA ILE A 64 3.481 -2.345 -3.108 1.00 0.00 C ATOM 767 C ILE A 64 4.385 -3.489 -2.565 1.00 0.00 C ATOM 768 O ILE A 64 5.544 -3.265 -2.244 1.00 0.00 O ATOM 769 CB ILE A 64 2.558 -1.671 -2.001 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.242 -0.447 -1.340 1.00 0.00 C ATOM 771 CG2 ILE A 64 2.109 -2.654 -0.925 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.476 -0.747 -0.520 1.00 0.00 C ATOM 0 H ILE A 64 1.706 -2.896 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 64 4.136 -1.540 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 64 1.670 -1.331 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.512 0.261 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.514 0.050 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.483 -2.137 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.540 -3.462 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.983 -3.067 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.872 0.180 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.217 -1.426 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.231 -1.211 -1.155 1.00 0.00 H new ATOM 784 N GLU A 65 3.868 -4.720 -2.564 1.00 0.00 N ATOM 785 CA GLU A 65 4.646 -5.890 -2.152 1.00 0.00 C ATOM 786 C GLU A 65 5.758 -6.187 -3.131 1.00 0.00 C ATOM 787 O GLU A 65 6.854 -6.573 -2.732 1.00 0.00 O ATOM 788 CB GLU A 65 3.754 -7.108 -1.958 1.00 0.00 C ATOM 789 CG GLU A 65 3.011 -7.110 -0.640 1.00 0.00 C ATOM 790 CD GLU A 65 3.923 -7.398 0.532 1.00 0.00 C ATOM 791 OE1 GLU A 65 4.764 -6.556 0.896 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.832 -8.511 1.106 1.00 0.00 O ATOM 0 H GLU A 65 2.911 -4.932 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 65 5.103 -5.653 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.032 -7.153 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.364 -8.009 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.531 -6.142 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.218 -7.858 -0.673 1.00 0.00 H new ATOM 799 N GLY A 66 5.485 -5.981 -4.407 1.00 0.00 N ATOM 800 CA GLY A 66 6.506 -6.160 -5.419 1.00 0.00 C ATOM 801 C GLY A 66 7.611 -5.139 -5.255 1.00 0.00 C ATOM 802 O GLY A 66 8.795 -5.444 -5.402 1.00 0.00 O ATOM 0 H GLY A 66 4.574 -5.692 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.921 -7.166 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.062 -6.066 -6.410 1.00 0.00 H new ATOM 806 N SER A 67 7.221 -3.939 -4.875 1.00 0.00 N ATOM 807 CA SER A 67 8.142 -2.874 -4.674 1.00 0.00 C ATOM 808 C SER A 67 8.955 -3.162 -3.414 1.00 0.00 C ATOM 809 O SER A 67 10.143 -2.868 -3.354 1.00 0.00 O ATOM 810 CB SER A 67 7.387 -1.543 -4.557 1.00 0.00 C ATOM 811 OG SER A 67 8.265 -0.425 -4.664 1.00 0.00 O ATOM 0 H SER A 67 6.248 -3.689 -4.700 1.00 0.00 H new ATOM 0 HA SER A 67 8.820 -2.796 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.629 -1.486 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.864 -1.504 -3.601 1.00 0.00 H new ATOM 0 HG SER A 67 8.121 0.178 -3.905 1.00 0.00 H new ATOM 817 N ARG A 68 8.319 -3.767 -2.424 1.00 0.00 N ATOM 818 CA ARG A 68 9.017 -4.139 -1.207 1.00 0.00 C ATOM 819 C ARG A 68 9.987 -5.262 -1.470 1.00 0.00 C ATOM 820 O ARG A 68 11.092 -5.270 -0.935 1.00 0.00 O ATOM 821 CB ARG A 68 8.079 -4.449 -0.039 1.00 0.00 C ATOM 822 CG ARG A 68 7.204 -3.281 0.381 1.00 0.00 C ATOM 823 CD ARG A 68 6.251 -3.665 1.502 1.00 0.00 C ATOM 824 NE ARG A 68 6.948 -3.971 2.764 1.00 0.00 N ATOM 825 CZ ARG A 68 6.567 -4.918 3.638 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.641 -5.821 3.300 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.168 -5.000 4.816 1.00 0.00 N ATOM 0 H ARG A 68 7.328 -4.009 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 68 9.586 -3.265 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.439 -5.288 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.674 -4.769 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.834 -2.453 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.632 -2.928 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.547 -2.850 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.667 -4.533 1.195 1.00 0.00 H new ATOM 0 HE ARG A 68 7.779 -3.425 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.218 -5.795 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.358 -6.536 3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.914 -4.347 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.884 -5.716 5.485 1.00 0.00 H new ATOM 841 N GLY A 69 9.583 -6.183 -2.326 1.00 0.00 N ATOM 842 CA GLY A 69 10.462 -7.242 -2.752 1.00 0.00 C ATOM 843 C GLY A 69 11.637 -6.672 -3.514 1.00 0.00 C ATOM 844 O GLY A 69 12.738 -7.238 -3.508 1.00 0.00 O ATOM 0 H GLY A 69 8.650 -6.214 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.817 -7.800 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.917 -7.945 -3.382 1.00 0.00 H new ATOM 848 N TYR A 70 11.419 -5.505 -4.128 1.00 0.00 N ATOM 849 CA TYR A 70 12.467 -4.833 -4.863 1.00 0.00 C ATOM 850 C TYR A 70 13.475 -4.315 -3.884 1.00 0.00 C ATOM 851 O TYR A 70 14.666 -4.527 -4.032 1.00 0.00 O ATOM 852 CB TYR A 70 11.933 -3.681 -5.743 1.00 0.00 C ATOM 853 CG TYR A 70 13.040 -2.918 -6.446 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.554 -3.372 -7.641 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.593 -1.766 -5.888 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.583 -2.716 -8.267 1.00 0.00 C ATOM 857 CE2 TYR A 70 14.619 -1.100 -6.514 1.00 0.00 C ATOM 858 CZ TYR A 70 15.111 -1.583 -7.706 1.00 0.00 C ATOM 859 OH TYR A 70 16.157 -0.939 -8.328 1.00 0.00 O ATOM 0 H TYR A 70 10.524 -5.016 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 70 12.923 -5.552 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.247 -4.086 -6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.360 -2.992 -5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.139 -4.261 -8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.209 -1.392 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.976 -3.092 -9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.036 -0.206 -6.075 1.00 0.00 H new ATOM 0 HH TYR A 70 16.858 -0.744 -7.672 1.00 0.00 H new ATOM 869 N PHE A 71 12.978 -3.660 -2.868 1.00 0.00 N ATOM 870 CA PHE A 71 13.804 -3.126 -1.824 1.00 0.00 C ATOM 871 C PHE A 71 14.630 -4.202 -1.148 1.00 0.00 C ATOM 872 O PHE A 71 15.785 -3.983 -0.834 1.00 0.00 O ATOM 873 CB PHE A 71 13.022 -2.259 -0.838 1.00 0.00 C ATOM 874 CG PHE A 71 12.539 -0.976 -1.461 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.447 -0.079 -2.004 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.195 -0.666 -1.513 1.00 0.00 C ATOM 877 CE1 PHE A 71 13.022 1.096 -2.587 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.763 0.510 -2.095 1.00 0.00 C ATOM 879 CZ PHE A 71 11.680 1.390 -2.633 1.00 0.00 C ATOM 0 H PHE A 71 11.981 -3.482 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 71 14.515 -2.451 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.167 -2.822 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.654 -2.028 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.503 -0.304 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.473 -1.351 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.742 1.784 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.708 0.741 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.343 2.309 -3.090 1.00 0.00 H new ATOM 889 N GLN A 72 14.041 -5.372 -0.956 1.00 0.00 N ATOM 890 CA GLN A 72 14.742 -6.468 -0.321 1.00 0.00 C ATOM 891 C GLN A 72 15.915 -6.939 -1.162 1.00 0.00 C ATOM 892 O GLN A 72 17.001 -7.130 -0.648 1.00 0.00 O ATOM 893 CB GLN A 72 13.807 -7.639 -0.011 1.00 0.00 C ATOM 894 CG GLN A 72 12.744 -7.316 1.023 1.00 0.00 C ATOM 895 CD GLN A 72 13.321 -6.884 2.370 1.00 0.00 C ATOM 896 OE1 GLN A 72 12.716 -6.095 3.088 1.00 0.00 O ATOM 897 NE2 GLN A 72 14.455 -7.422 2.748 1.00 0.00 N ATOM 0 H GLN A 72 13.082 -5.583 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 72 15.128 -6.087 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.320 -7.957 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.400 -8.482 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.103 -6.522 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.113 -8.192 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.939 -8.076 2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.853 -7.187 3.657 1.00 0.00 H new ATOM 906 N ARG A 73 15.694 -7.101 -2.458 1.00 0.00 N ATOM 907 CA ARG A 73 16.752 -7.563 -3.356 1.00 0.00 C ATOM 908 C ARG A 73 17.815 -6.474 -3.543 1.00 0.00 C ATOM 909 O ARG A 73 19.001 -6.756 -3.681 1.00 0.00 O ATOM 910 CB ARG A 73 16.167 -8.053 -4.691 1.00 0.00 C ATOM 911 CG ARG A 73 15.572 -6.976 -5.575 1.00 0.00 C ATOM 912 CD ARG A 73 14.350 -7.485 -6.302 1.00 0.00 C ATOM 913 NE ARG A 73 14.624 -8.703 -7.070 1.00 0.00 N ATOM 914 CZ ARG A 73 13.770 -9.306 -7.904 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.595 -8.752 -8.204 1.00 0.00 N ATOM 916 NH2 ARG A 73 14.117 -10.453 -8.462 1.00 0.00 N ATOM 0 H ARG A 73 14.799 -6.922 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 73 17.249 -8.420 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.954 -8.562 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 15.395 -8.793 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.305 -6.110 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.316 -6.642 -6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.558 -7.684 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.981 -6.710 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 73 15.545 -9.127 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.335 -7.854 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.956 -9.226 -8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.026 -10.867 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.476 -10.924 -9.100 1.00 0.00 H new ATOM 930 N GLU A 74 17.368 -5.233 -3.509 1.00 0.00 N ATOM 931 CA GLU A 74 18.211 -4.062 -3.627 1.00 0.00 C ATOM 932 C GLU A 74 19.065 -3.922 -2.360 1.00 0.00 C ATOM 933 O GLU A 74 20.178 -3.430 -2.384 1.00 0.00 O ATOM 934 CB GLU A 74 17.320 -2.838 -3.850 1.00 0.00 C ATOM 935 CG GLU A 74 18.037 -1.559 -4.188 1.00 0.00 C ATOM 936 CD GLU A 74 18.686 -1.562 -5.547 1.00 0.00 C ATOM 937 OE1 GLU A 74 19.825 -2.035 -5.684 1.00 0.00 O ATOM 938 OE2 GLU A 74 18.066 -1.071 -6.517 1.00 0.00 O ATOM 0 H GLU A 74 16.380 -5.007 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 74 18.889 -4.154 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.620 -3.063 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.728 -2.674 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.328 -0.733 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.800 -1.372 -3.433 1.00 0.00 H new ATOM 945 N LEU A 75 18.535 -4.391 -1.261 1.00 0.00 N ATOM 946 CA LEU A 75 19.238 -4.398 0.009 1.00 0.00 C ATOM 947 C LEU A 75 20.371 -5.460 -0.014 1.00 0.00 C ATOM 948 O LEU A 75 21.269 -5.465 0.836 1.00 0.00 O ATOM 949 CB LEU A 75 18.239 -4.677 1.149 1.00 0.00 C ATOM 950 CG LEU A 75 18.756 -4.510 2.577 1.00 0.00 C ATOM 951 CD1 LEU A 75 19.190 -3.076 2.818 1.00 0.00 C ATOM 952 CD2 LEU A 75 17.694 -4.908 3.582 1.00 0.00 C ATOM 0 H LEU A 75 17.595 -4.784 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 75 19.695 -3.423 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.382 -4.016 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 75 17.874 -5.698 1.038 1.00 0.00 H new ATOM 0 HG LEU A 75 19.617 -5.165 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 75 19.556 -2.973 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 75 19.985 -2.814 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 75 18.341 -2.409 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.083 -4.781 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.814 -4.278 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 75 17.419 -5.951 3.427 1.00 0.00 H new ATOM 964 N LYS A 76 20.300 -6.348 -0.997 1.00 0.00 N ATOM 965 CA LYS A 76 21.242 -7.454 -1.177 1.00 0.00 C ATOM 966 C LYS A 76 22.224 -7.139 -2.311 1.00 0.00 C ATOM 967 O LYS A 76 23.152 -7.906 -2.597 1.00 0.00 O ATOM 968 CB LYS A 76 20.470 -8.727 -1.509 1.00 0.00 C ATOM 969 CG LYS A 76 19.439 -9.092 -0.467 1.00 0.00 C ATOM 970 CD LYS A 76 18.641 -10.303 -0.880 1.00 0.00 C ATOM 971 CE LYS A 76 17.595 -10.654 0.153 1.00 0.00 C ATOM 972 NZ LYS A 76 16.834 -11.855 -0.221 1.00 0.00 N ATOM 0 H LYS A 76 19.571 -6.322 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 76 21.805 -7.594 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.974 -8.602 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.174 -9.552 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.935 -9.288 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.767 -8.249 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.158 -10.113 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.311 -11.150 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.077 -10.816 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.911 -9.815 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.127 -12.061 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.353 -11.692 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.483 -12.662 -0.313 1.00 0.00 H new ATOM 986 N ARG A 77 21.969 -6.019 -2.961 1.00 0.00 N ATOM 987 CA ARG A 77 22.680 -5.539 -4.156 1.00 0.00 C ATOM 988 C ARG A 77 24.208 -5.492 -4.009 1.00 0.00 C ATOM 989 O ARG A 77 24.922 -5.580 -5.017 1.00 0.00 O ATOM 990 CB ARG A 77 22.146 -4.133 -4.497 1.00 0.00 C ATOM 991 CG ARG A 77 22.761 -3.431 -5.696 1.00 0.00 C ATOM 992 CD ARG A 77 22.621 -4.253 -6.941 1.00 0.00 C ATOM 993 NE ARG A 77 23.050 -3.533 -8.146 1.00 0.00 N ATOM 994 CZ ARG A 77 22.964 -4.006 -9.400 1.00 0.00 C ATOM 995 NH1 ARG A 77 22.488 -5.230 -9.634 1.00 0.00 N ATOM 996 NH2 ARG A 77 23.377 -3.256 -10.413 1.00 0.00 N ATOM 0 H ARG A 77 21.229 -5.382 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 77 22.488 -6.255 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.072 -4.211 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.287 -3.497 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.279 -2.464 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 77 23.816 -3.236 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.210 -5.164 -6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.581 -4.557 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 77 23.444 -2.601 -8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.185 -5.817 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.427 -5.579 -10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 77 23.757 -2.326 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.314 -3.609 -11.368 1.00 0.00 H new ATOM 1010 N THR A 78 24.705 -5.323 -2.781 1.00 0.00 N ATOM 1011 CA THR A 78 26.140 -5.125 -2.490 1.00 0.00 C ATOM 1012 C THR A 78 26.598 -3.703 -2.932 1.00 0.00 C ATOM 1013 O THR A 78 27.371 -3.029 -2.241 1.00 0.00 O ATOM 1014 CB THR A 78 27.008 -6.239 -3.125 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.511 -7.523 -2.684 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.471 -6.104 -2.726 1.00 0.00 C ATOM 0 H THR A 78 24.120 -5.319 -1.945 1.00 0.00 H new ATOM 0 HA THR A 78 26.281 -5.197 -1.412 1.00 0.00 H new ATOM 0 HB THR A 78 26.945 -6.150 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.052 -8.237 -3.081 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.050 -6.903 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.852 -5.139 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.560 -6.174 -1.642 1.00 0.00 H new ATOM 1024 N ASP A 79 26.076 -3.254 -4.052 1.00 0.00 N ATOM 1025 CA ASP A 79 26.294 -1.920 -4.556 1.00 0.00 C ATOM 1026 C ASP A 79 25.239 -0.981 -3.957 1.00 0.00 C ATOM 1027 O ASP A 79 24.256 -0.604 -4.595 1.00 0.00 O ATOM 1028 CB ASP A 79 26.271 -1.913 -6.093 1.00 0.00 C ATOM 1029 CG ASP A 79 26.477 -0.547 -6.701 1.00 0.00 C ATOM 1030 OD1 ASP A 79 27.589 0.009 -6.582 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.556 -0.046 -7.372 1.00 0.00 O ATOM 0 H ASP A 79 25.475 -3.821 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 79 27.280 -1.564 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 79 27.046 -2.585 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 79 25.316 -2.312 -6.434 1.00 0.00 H new ATOM 1036 N LEU A 80 25.389 -0.784 -2.677 1.00 0.00 N ATOM 1037 CA LEU A 80 24.574 0.084 -1.853 1.00 0.00 C ATOM 1038 C LEU A 80 25.353 0.327 -0.593 1.00 0.00 C ATOM 1039 O LEU A 80 26.208 -0.484 -0.206 1.00 0.00 O ATOM 1040 CB LEU A 80 23.224 -0.591 -1.465 1.00 0.00 C ATOM 1041 CG LEU A 80 23.260 -1.654 -0.335 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.874 -1.942 0.163 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.881 -2.944 -0.802 1.00 0.00 C ATOM 0 H LEU A 80 26.124 -1.249 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 80 24.347 1.000 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.527 0.193 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.813 -1.062 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 80 23.868 -1.240 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.920 -2.690 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.430 -1.026 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.264 -2.320 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.888 -3.662 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.302 -3.347 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.904 -2.758 -1.130 1.00 0.00 H new ATOM 1055 N ASP A 81 25.086 1.412 0.021 1.00 0.00 N ATOM 1056 CA ASP A 81 25.681 1.752 1.272 1.00 0.00 C ATOM 1057 C ASP A 81 24.592 1.924 2.260 1.00 0.00 C ATOM 1058 O ASP A 81 23.419 1.671 1.941 1.00 0.00 O ATOM 1059 CB ASP A 81 26.499 3.044 1.185 1.00 0.00 C ATOM 1060 CG ASP A 81 27.779 2.888 0.421 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.789 3.092 -0.808 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.807 2.573 1.040 1.00 0.00 O ATOM 0 H ASP A 81 24.434 2.112 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 81 26.364 0.955 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 81 25.894 3.817 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 81 26.726 3.390 2.193 1.00 0.00 H new ATOM 1067 N LEU A 82 24.938 2.366 3.442 1.00 0.00 N ATOM 1068 CA LEU A 82 23.965 2.643 4.474 1.00 0.00 C ATOM 1069 C LEU A 82 22.934 3.666 4.015 1.00 0.00 C ATOM 1070 O LEU A 82 21.816 3.641 4.455 1.00 0.00 O ATOM 1071 CB LEU A 82 24.621 2.955 5.838 1.00 0.00 C ATOM 1072 CG LEU A 82 25.633 4.107 5.903 1.00 0.00 C ATOM 1073 CD1 LEU A 82 24.956 5.469 5.923 1.00 0.00 C ATOM 1074 CD2 LEU A 82 26.549 3.941 7.092 1.00 0.00 C ATOM 0 H LEU A 82 25.903 2.545 3.719 1.00 0.00 H new ATOM 0 HA LEU A 82 23.400 1.728 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.825 3.169 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.122 2.050 6.183 1.00 0.00 H new ATOM 0 HG LEU A 82 26.231 4.065 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.714 6.251 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.361 5.593 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.307 5.540 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 82 27.260 4.767 7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.959 3.937 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.091 2.999 7.005 1.00 0.00 H new ATOM 1086 N LEU A 83 23.353 4.553 3.121 1.00 0.00 N ATOM 1087 CA LEU A 83 22.469 5.554 2.498 1.00 0.00 C ATOM 1088 C LEU A 83 21.307 4.878 1.833 1.00 0.00 C ATOM 1089 O LEU A 83 20.151 5.214 2.055 1.00 0.00 O ATOM 1090 CB LEU A 83 23.220 6.328 1.389 1.00 0.00 C ATOM 1091 CG LEU A 83 24.359 7.286 1.793 1.00 0.00 C ATOM 1092 CD1 LEU A 83 23.909 8.276 2.848 1.00 0.00 C ATOM 1093 CD2 LEU A 83 25.598 6.544 2.233 1.00 0.00 C ATOM 0 H LEU A 83 24.320 4.606 2.800 1.00 0.00 H new ATOM 0 HA LEU A 83 22.137 6.228 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.635 5.595 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.483 6.908 0.834 1.00 0.00 H new ATOM 0 HG LEU A 83 24.624 7.851 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.739 8.934 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.082 8.870 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.582 7.737 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.373 7.260 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.361 5.918 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 83 25.956 5.918 1.416 1.00 0.00 H new ATOM 1105 N GLU A 84 21.637 3.883 1.078 1.00 0.00 N ATOM 1106 CA GLU A 84 20.687 3.148 0.324 1.00 0.00 C ATOM 1107 C GLU A 84 19.836 2.333 1.243 1.00 0.00 C ATOM 1108 O GLU A 84 18.623 2.347 1.144 1.00 0.00 O ATOM 1109 CB GLU A 84 21.420 2.287 -0.662 1.00 0.00 C ATOM 1110 CG GLU A 84 22.161 3.081 -1.709 1.00 0.00 C ATOM 1111 CD GLU A 84 21.234 3.931 -2.533 1.00 0.00 C ATOM 1112 OE1 GLU A 84 20.891 5.056 -2.101 1.00 0.00 O ATOM 1113 OE2 GLU A 84 20.848 3.503 -3.625 1.00 0.00 O ATOM 0 H GLU A 84 22.596 3.554 0.968 1.00 0.00 H new ATOM 0 HA GLU A 84 20.028 3.821 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.128 1.655 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.709 1.624 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 84 22.902 3.717 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.705 2.400 -2.363 1.00 0.00 H new ATOM 1120 N LYS A 85 20.489 1.686 2.185 1.00 0.00 N ATOM 1121 CA LYS A 85 19.834 0.879 3.197 1.00 0.00 C ATOM 1122 C LYS A 85 18.836 1.718 3.922 1.00 0.00 C ATOM 1123 O LYS A 85 17.729 1.288 4.154 1.00 0.00 O ATOM 1124 CB LYS A 85 20.845 0.337 4.211 1.00 0.00 C ATOM 1125 CG LYS A 85 21.846 -0.649 3.648 1.00 0.00 C ATOM 1126 CD LYS A 85 22.930 -1.011 4.662 1.00 0.00 C ATOM 1127 CE LYS A 85 22.398 -1.685 5.930 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.777 -2.998 5.666 1.00 0.00 N ATOM 0 H LYS A 85 21.505 1.705 2.272 1.00 0.00 H new ATOM 0 HA LYS A 85 19.347 0.039 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.388 1.177 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.300 -0.144 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.326 -1.554 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.310 -0.225 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.651 -1.675 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.467 -0.105 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.217 -1.812 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.665 -1.031 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.782 -2.978 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.826 -3.207 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.285 -3.735 6.196 1.00 0.00 H new ATOM 1142 N PHE A 86 19.222 2.949 4.212 1.00 0.00 N ATOM 1143 CA PHE A 86 18.370 3.857 4.932 1.00 0.00 C ATOM 1144 C PHE A 86 17.124 4.224 4.120 1.00 0.00 C ATOM 1145 O PHE A 86 16.054 4.378 4.660 1.00 0.00 O ATOM 1146 CB PHE A 86 19.143 5.110 5.390 1.00 0.00 C ATOM 1147 CG PHE A 86 18.302 6.157 6.079 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.876 5.976 7.383 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.934 7.320 5.413 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.101 6.930 8.014 1.00 0.00 C ATOM 1151 CE2 PHE A 86 17.160 8.277 6.036 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.742 8.083 7.338 1.00 0.00 C ATOM 0 H PHE A 86 20.129 3.337 3.954 1.00 0.00 H new ATOM 0 HA PHE A 86 18.027 3.342 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.939 4.801 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.621 5.562 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.153 5.077 7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 86 18.258 7.477 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.776 6.776 9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.881 9.176 5.507 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.136 8.830 7.828 1.00 0.00 H new ATOM 1162 N ASN A 87 17.287 4.306 2.837 1.00 0.00 N ATOM 1163 CA ASN A 87 16.243 4.684 1.912 1.00 0.00 C ATOM 1164 C ASN A 87 15.264 3.548 1.750 1.00 0.00 C ATOM 1165 O ASN A 87 14.053 3.751 1.756 1.00 0.00 O ATOM 1166 CB ASN A 87 16.852 5.069 0.553 1.00 0.00 C ATOM 1167 CG ASN A 87 15.813 5.441 -0.491 1.00 0.00 C ATOM 1168 OD1 ASN A 87 15.327 4.590 -1.231 1.00 0.00 O ATOM 1169 ND2 ASN A 87 15.478 6.706 -0.571 1.00 0.00 N ATOM 0 H ASN A 87 18.177 4.107 2.381 1.00 0.00 H new ATOM 0 HA ASN A 87 15.712 5.549 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.532 5.909 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.448 4.235 0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.794 7.010 -1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.902 7.387 0.060 1.00 0.00 H new ATOM 1176 N PHE A 88 15.792 2.336 1.676 1.00 0.00 N ATOM 1177 CA PHE A 88 14.960 1.162 1.479 1.00 0.00 C ATOM 1178 C PHE A 88 14.263 0.886 2.748 1.00 0.00 C ATOM 1179 O PHE A 88 13.110 0.573 2.748 1.00 0.00 O ATOM 1180 CB PHE A 88 15.757 -0.086 1.075 1.00 0.00 C ATOM 1181 CG PHE A 88 16.782 0.147 0.026 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.585 1.074 -0.992 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.974 -0.528 0.088 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.571 1.321 -1.902 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.947 -0.296 -0.828 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.752 0.630 -1.814 1.00 0.00 C ATOM 0 H PHE A 88 16.791 2.141 1.749 1.00 0.00 H new ATOM 0 HA PHE A 88 14.270 1.376 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.248 -0.490 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.061 -0.847 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.645 1.602 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.140 -1.251 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.423 2.052 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.877 -0.843 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.537 0.820 -2.532 1.00 0.00 H new ATOM 1196 N GLU A 89 14.973 1.068 3.846 1.00 0.00 N ATOM 1197 CA GLU A 89 14.425 0.885 5.154 1.00 0.00 C ATOM 1198 C GLU A 89 13.361 1.935 5.363 1.00 0.00 C ATOM 1199 O GLU A 89 12.322 1.680 5.993 1.00 0.00 O ATOM 1200 CB GLU A 89 15.523 1.049 6.198 1.00 0.00 C ATOM 1201 CG GLU A 89 15.071 0.863 7.618 1.00 0.00 C ATOM 1202 CD GLU A 89 14.682 -0.552 7.940 1.00 0.00 C ATOM 1203 OE1 GLU A 89 13.540 -0.940 7.686 1.00 0.00 O ATOM 1204 OE2 GLU A 89 15.515 -1.296 8.497 1.00 0.00 O ATOM 0 H GLU A 89 15.953 1.349 3.842 1.00 0.00 H new ATOM 0 HA GLU A 89 13.998 -0.113 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.317 0.332 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.957 2.044 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.871 1.174 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.221 1.518 7.810 1.00 0.00 H new ATOM 1211 N ALA A 90 13.596 3.116 4.799 1.00 0.00 N ATOM 1212 CA ALA A 90 12.622 4.184 4.955 1.00 0.00 C ATOM 1213 C ALA A 90 11.361 3.857 4.169 1.00 0.00 C ATOM 1214 O ALA A 90 10.236 3.974 4.673 1.00 0.00 O ATOM 1215 CB ALA A 90 13.188 5.535 4.539 1.00 0.00 C ATOM 0 H ALA A 90 14.422 3.351 4.249 1.00 0.00 H new ATOM 0 HA ALA A 90 12.371 4.257 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.427 6.304 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.055 5.772 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.487 5.497 3.492 1.00 0.00 H new ATOM 1221 N ALA A 91 11.558 3.394 2.962 1.00 0.00 N ATOM 1222 CA ALA A 91 10.475 3.042 2.072 1.00 0.00 C ATOM 1223 C ALA A 91 9.734 1.808 2.565 1.00 0.00 C ATOM 1224 O ALA A 91 8.512 1.747 2.484 1.00 0.00 O ATOM 1225 CB ALA A 91 11.006 2.851 0.668 1.00 0.00 C ATOM 0 H ALA A 91 12.485 3.248 2.562 1.00 0.00 H new ATOM 0 HA ALA A 91 9.753 3.859 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.185 2.586 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.468 3.777 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.748 2.053 0.665 1.00 0.00 H new ATOM 1231 N LEU A 92 10.466 0.852 3.112 1.00 0.00 N ATOM 1232 CA LEU A 92 9.880 -0.358 3.663 1.00 0.00 C ATOM 1233 C LEU A 92 8.930 -0.030 4.772 1.00 0.00 C ATOM 1234 O LEU A 92 7.848 -0.581 4.824 1.00 0.00 O ATOM 1235 CB LEU A 92 10.937 -1.352 4.162 1.00 0.00 C ATOM 1236 CG LEU A 92 11.775 -2.070 3.099 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.861 -2.898 3.761 1.00 0.00 C ATOM 1238 CD2 LEU A 92 10.894 -2.956 2.229 1.00 0.00 C ATOM 0 H LEU A 92 11.482 0.893 3.187 1.00 0.00 H new ATOM 0 HA LEU A 92 9.337 -0.837 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.617 -0.818 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.433 -2.108 4.764 1.00 0.00 H new ATOM 0 HG LEU A 92 12.242 -1.319 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.450 -3.404 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.509 -2.246 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.404 -3.640 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.508 -3.457 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.400 -3.702 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.142 -2.344 1.731 1.00 0.00 H new ATOM 1250 N ALA A 93 9.310 0.909 5.621 1.00 0.00 N ATOM 1251 CA ALA A 93 8.467 1.296 6.728 1.00 0.00 C ATOM 1252 C ALA A 93 7.257 2.031 6.238 1.00 0.00 C ATOM 1253 O ALA A 93 6.156 1.843 6.764 1.00 0.00 O ATOM 1254 CB ALA A 93 9.222 2.119 7.746 1.00 0.00 C ATOM 0 H ALA A 93 10.195 1.413 5.562 1.00 0.00 H new ATOM 0 HA ALA A 93 8.139 0.384 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.553 2.390 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.056 1.537 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.602 3.024 7.272 1.00 0.00 H new ATOM 1260 N THR A 94 7.453 2.815 5.196 1.00 0.00 N ATOM 1261 CA THR A 94 6.399 3.584 4.618 1.00 0.00 C ATOM 1262 C THR A 94 5.353 2.634 4.015 1.00 0.00 C ATOM 1263 O THR A 94 4.140 2.691 4.339 1.00 0.00 O ATOM 1264 CB THR A 94 6.960 4.539 3.534 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.999 5.361 4.109 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.868 5.437 2.971 1.00 0.00 C ATOM 0 H THR A 94 8.355 2.928 4.734 1.00 0.00 H new ATOM 0 HA THR A 94 5.927 4.192 5.390 1.00 0.00 H new ATOM 0 HB THR A 94 7.362 3.933 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.839 4.857 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.293 6.095 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.087 4.823 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.440 6.037 3.774 1.00 0.00 H new ATOM 1274 N GLY A 95 5.855 1.703 3.225 1.00 0.00 N ATOM 1275 CA GLY A 95 5.029 0.741 2.580 1.00 0.00 C ATOM 1276 C GLY A 95 4.352 -0.160 3.562 1.00 0.00 C ATOM 1277 O GLY A 95 3.174 -0.405 3.448 1.00 0.00 O ATOM 0 H GLY A 95 6.850 1.606 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.278 1.253 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.633 0.144 1.896 1.00 0.00 H new ATOM 1281 N ASP A 96 5.099 -0.611 4.557 1.00 0.00 N ATOM 1282 CA ASP A 96 4.582 -1.520 5.579 1.00 0.00 C ATOM 1283 C ASP A 96 3.430 -0.897 6.339 1.00 0.00 C ATOM 1284 O ASP A 96 2.394 -1.523 6.518 1.00 0.00 O ATOM 1285 CB ASP A 96 5.679 -1.929 6.573 1.00 0.00 C ATOM 1286 CG ASP A 96 5.211 -2.961 7.587 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.556 -2.603 8.580 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.481 -4.164 7.392 1.00 0.00 O ATOM 0 H ASP A 96 6.080 -0.360 4.683 1.00 0.00 H new ATOM 0 HA ASP A 96 4.226 -2.408 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.529 -2.330 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.031 -1.043 7.101 1.00 0.00 H new ATOM 1293 N LEU A 97 3.583 0.361 6.727 1.00 0.00 N ATOM 1294 CA LEU A 97 2.577 1.009 7.555 1.00 0.00 C ATOM 1295 C LEU A 97 1.254 1.122 6.827 1.00 0.00 C ATOM 1296 O LEU A 97 0.210 0.760 7.372 1.00 0.00 O ATOM 1297 CB LEU A 97 3.046 2.376 8.103 1.00 0.00 C ATOM 1298 CG LEU A 97 3.064 3.560 7.132 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.806 4.409 7.248 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.282 4.380 7.326 1.00 0.00 C ATOM 0 H LEU A 97 4.383 0.946 6.486 1.00 0.00 H new ATOM 0 HA LEU A 97 2.426 0.367 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.403 2.640 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.054 2.251 8.500 1.00 0.00 H new ATOM 0 HG LEU A 97 3.083 3.153 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.860 5.238 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.932 3.797 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.724 4.801 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.274 5.215 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.305 4.762 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.166 3.767 7.149 1.00 0.00 H new ATOM 1312 N LEU A 98 1.297 1.597 5.595 1.00 0.00 N ATOM 1313 CA LEU A 98 0.088 1.732 4.814 1.00 0.00 C ATOM 1314 C LEU A 98 -0.432 0.372 4.408 1.00 0.00 C ATOM 1315 O LEU A 98 -1.613 0.202 4.213 1.00 0.00 O ATOM 1316 CB LEU A 98 0.306 2.649 3.609 1.00 0.00 C ATOM 1317 CG LEU A 98 1.358 2.183 2.617 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.793 1.217 1.577 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.102 3.343 1.983 1.00 0.00 C ATOM 0 H LEU A 98 2.150 1.893 5.120 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.674 2.205 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.642 2.760 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.586 3.638 3.972 1.00 0.00 H new ATOM 0 HG LEU A 98 2.093 1.618 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.586 0.915 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.391 0.337 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.002 1.710 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.843 2.960 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.396 3.982 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.602 3.922 2.759 1.00 0.00 H new ATOM 1331 N LEU A 99 0.473 -0.598 4.289 1.00 0.00 N ATOM 1332 CA LEU A 99 0.105 -1.925 3.871 1.00 0.00 C ATOM 1333 C LEU A 99 -0.710 -2.557 4.973 1.00 0.00 C ATOM 1334 O LEU A 99 -1.731 -3.221 4.740 1.00 0.00 O ATOM 1335 CB LEU A 99 1.357 -2.765 3.508 1.00 0.00 C ATOM 1336 CG LEU A 99 1.162 -4.141 2.831 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.485 -4.607 2.282 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.654 -5.190 3.807 1.00 0.00 C ATOM 0 H LEU A 99 1.468 -0.476 4.480 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.498 -1.881 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.981 -2.160 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.923 -2.926 4.425 1.00 0.00 H new ATOM 0 HG LEU A 99 0.421 -4.020 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.358 -5.577 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.850 -3.886 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.205 -4.696 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.532 -6.141 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.371 -5.309 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.306 -4.873 4.215 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.267 -2.321 6.170 1.00 0.00 N ATOM 1351 CA LYS A 100 -0.944 -2.763 7.330 1.00 0.00 C ATOM 1352 C LYS A 100 -2.227 -1.990 7.491 1.00 0.00 C ATOM 1353 O LYS A 100 -3.219 -2.526 7.993 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.044 -2.735 8.578 1.00 0.00 C ATOM 1355 CG LYS A 100 0.827 -3.997 8.771 1.00 0.00 C ATOM 1356 CD LYS A 100 1.646 -4.361 7.531 1.00 0.00 C ATOM 1357 CE LYS A 100 2.474 -5.619 7.737 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.557 -5.425 8.712 1.00 0.00 N ATOM 0 H LYS A 100 0.592 -1.805 6.361 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.208 -3.814 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.609 -1.864 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.672 -2.604 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.503 -3.839 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.184 -4.837 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.975 -4.505 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.306 -3.531 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.825 -6.426 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.899 -5.931 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.629 -6.264 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.456 -5.285 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.353 -4.589 9.296 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.229 -0.731 7.043 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.457 0.053 7.118 1.00 0.00 C ATOM 1374 C ASP A 101 -4.476 -0.474 6.085 1.00 0.00 C ATOM 1375 O ASP A 101 -5.674 -0.518 6.350 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.198 1.552 6.953 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.428 2.401 7.240 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.767 2.610 8.431 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -5.034 2.931 6.304 1.00 0.00 O ATOM 0 H ASP A 101 -1.425 -0.250 6.640 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.880 -0.068 8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.392 1.852 7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.857 1.747 5.936 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.964 -0.924 4.918 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.775 -1.582 3.869 1.00 0.00 C ATOM 1386 C LEU A 102 -5.499 -2.780 4.460 1.00 0.00 C ATOM 1387 O LEU A 102 -6.704 -2.917 4.317 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.896 -2.078 2.689 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.250 -1.029 1.765 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.251 -1.704 0.841 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.307 -0.350 0.912 1.00 0.00 C ATOM 0 H LEU A 102 -2.976 -0.841 4.677 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.484 -0.844 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.096 -2.691 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.510 -2.732 2.070 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.750 -0.288 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.797 -0.958 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.475 -2.188 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.763 -2.451 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.833 0.388 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.815 -1.096 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.032 0.145 1.557 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.745 -3.635 5.153 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.313 -4.825 5.793 1.00 0.00 C ATOM 1405 C LYS A 103 -6.319 -4.461 6.862 1.00 0.00 C ATOM 1406 O LYS A 103 -7.362 -5.100 6.980 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.230 -5.739 6.401 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.620 -6.836 5.494 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.840 -6.325 4.280 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.724 -5.930 3.099 1.00 0.00 C ATOM 1411 NZ LYS A 103 -4.517 -7.070 2.572 1.00 0.00 N ATOM 0 H LYS A 103 -3.740 -3.526 5.286 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.820 -5.374 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.416 -5.105 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.657 -6.227 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.956 -7.455 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.425 -7.482 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.244 -5.463 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.142 -7.098 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.401 -5.133 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.100 -5.527 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.682 -6.937 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.995 -7.956 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.430 -7.116 3.067 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.028 -3.415 7.606 1.00 0.00 N ATOM 1426 CA ALA A 104 -6.877 -3.006 8.691 1.00 0.00 C ATOM 1427 C ALA A 104 -8.172 -2.464 8.163 1.00 0.00 C ATOM 1428 O ALA A 104 -9.245 -2.818 8.653 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.177 -1.988 9.580 1.00 0.00 C ATOM 0 H ALA A 104 -5.202 -2.832 7.473 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.097 -3.880 9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.842 -1.696 10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.270 -2.429 9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.916 -1.109 8.991 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.090 -1.662 7.115 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.266 -1.064 6.569 1.00 0.00 C ATOM 1437 C LEU A 105 -10.075 -2.134 5.903 1.00 0.00 C ATOM 1438 O LEU A 105 -11.259 -2.114 5.979 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.955 0.104 5.598 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.748 -0.240 4.113 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -10.057 -0.162 3.332 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.699 0.630 3.491 1.00 0.00 C ATOM 0 H LEU A 105 -7.222 -1.420 6.638 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.837 -0.616 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.771 0.823 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.056 0.607 5.955 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.396 -1.271 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.873 -0.411 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.774 -0.867 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.461 0.848 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.578 0.360 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.002 1.674 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.753 0.489 4.013 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.391 -3.090 5.280 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.021 -4.200 4.592 1.00 0.00 C ATOM 1456 C GLN A 106 -10.865 -4.990 5.528 1.00 0.00 C ATOM 1457 O GLN A 106 -11.991 -5.283 5.221 1.00 0.00 O ATOM 1458 CB GLN A 106 -8.970 -5.086 3.916 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.519 -6.342 3.267 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.439 -7.187 2.619 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -7.273 -7.198 3.056 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -8.800 -7.922 1.603 1.00 0.00 N ATOM 0 H GLN A 106 -8.372 -3.111 5.242 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.670 -3.796 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.453 -4.498 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.226 -5.373 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.038 -6.937 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.257 -6.064 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.763 -7.891 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.119 -8.527 1.144 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.339 -5.284 6.677 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.064 -6.042 7.657 1.00 0.00 C ATOM 1473 C LYS A 107 -12.236 -5.243 8.204 1.00 0.00 C ATOM 1474 O LYS A 107 -13.270 -5.798 8.520 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.114 -6.566 8.717 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.101 -7.504 8.086 1.00 0.00 C ATOM 1477 CD LYS A 107 -8.039 -7.991 9.035 1.00 0.00 C ATOM 1478 CE LYS A 107 -7.066 -8.907 8.299 1.00 0.00 C ATOM 1479 NZ LYS A 107 -7.745 -10.086 7.698 1.00 0.00 N ATOM 0 H LYS A 107 -9.400 -5.008 6.964 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.511 -6.920 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.601 -5.735 9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.674 -7.089 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.627 -8.365 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.621 -6.994 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.503 -7.143 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.499 -8.527 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.561 -8.342 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.297 -9.248 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.038 -10.813 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.431 -10.474 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.241 -9.796 6.831 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.061 -3.942 8.274 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.105 -3.019 8.686 1.00 0.00 C ATOM 1495 C ARG A 108 -14.189 -2.957 7.637 1.00 0.00 C ATOM 1496 O ARG A 108 -15.363 -2.990 7.945 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.542 -1.626 8.947 1.00 0.00 C ATOM 1498 CG ARG A 108 -11.636 -1.529 10.158 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.020 -0.143 10.265 1.00 0.00 C ATOM 1500 NE ARG A 108 -12.037 0.907 10.364 1.00 0.00 N ATOM 1501 CZ ARG A 108 -11.850 2.196 10.068 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.684 2.621 9.595 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -12.842 3.051 10.238 1.00 0.00 N ATOM 0 H ARG A 108 -11.179 -3.485 8.044 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.532 -3.388 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.986 -1.302 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.372 -0.931 9.074 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.205 -1.749 11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.847 -2.278 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.371 -0.102 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.392 0.042 9.393 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.965 0.631 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.920 1.961 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.553 3.608 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.741 2.725 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.709 4.037 10.015 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.781 -2.877 6.390 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.703 -2.821 5.284 1.00 0.00 C ATOM 1519 C VAL A 109 -15.426 -4.160 5.140 1.00 0.00 C ATOM 1520 O VAL A 109 -16.637 -4.215 4.886 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.997 -2.397 3.966 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.958 -2.368 2.799 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.390 -1.032 4.137 1.00 0.00 C ATOM 0 H VAL A 109 -12.799 -2.849 6.117 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.447 -2.052 5.493 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.223 -3.134 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.426 -2.067 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.385 -3.360 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.757 -1.656 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.895 -0.735 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.173 -0.313 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.661 -1.057 4.947 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.680 -5.221 5.332 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.197 -6.568 5.326 1.00 0.00 C ATOM 1535 C GLN A 110 -16.270 -6.665 6.397 1.00 0.00 C ATOM 1536 O GLN A 110 -17.383 -7.153 6.150 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.051 -7.528 5.653 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.431 -8.977 5.661 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.874 -9.465 4.297 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -14.398 -8.982 3.260 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -15.791 -10.384 4.275 1.00 0.00 N ATOM 0 H GLN A 110 -13.675 -5.171 5.500 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.619 -6.823 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.252 -7.380 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.645 -7.268 6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.581 -9.571 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.235 -9.135 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.159 -10.758 5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.143 -10.732 3.383 1.00 0.00 H new ATOM 1550 N ASP A 111 -15.926 -6.118 7.554 1.00 0.00 N ATOM 1551 CA ASP A 111 -16.772 -6.079 8.732 1.00 0.00 C ATOM 1552 C ASP A 111 -18.055 -5.289 8.508 1.00 0.00 C ATOM 1553 O ASP A 111 -19.126 -5.703 8.942 1.00 0.00 O ATOM 1554 CB ASP A 111 -15.994 -5.505 9.925 1.00 0.00 C ATOM 1555 CG ASP A 111 -16.838 -5.264 11.153 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.123 -6.231 11.894 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -17.202 -4.089 11.414 1.00 0.00 O ATOM 0 H ASP A 111 -15.019 -5.675 7.701 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.066 -7.106 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.186 -6.190 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.532 -4.565 9.625 1.00 0.00 H new ATOM 1562 N SER A 112 -17.940 -4.158 7.817 1.00 0.00 N ATOM 1563 CA SER A 112 -19.071 -3.290 7.530 1.00 0.00 C ATOM 1564 C SER A 112 -20.181 -4.022 6.774 1.00 0.00 C ATOM 1565 O SER A 112 -21.340 -3.758 7.010 1.00 0.00 O ATOM 1566 CB SER A 112 -18.606 -2.074 6.733 1.00 0.00 C ATOM 1567 OG SER A 112 -17.620 -1.342 7.446 1.00 0.00 O ATOM 0 H SER A 112 -17.055 -3.819 7.440 1.00 0.00 H new ATOM 0 HA SER A 112 -19.486 -2.965 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.201 -2.397 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.458 -1.429 6.518 1.00 0.00 H new ATOM 0 HG SER A 112 -16.820 -1.896 7.560 1.00 0.00 H new ATOM 1573 N GLU A 113 -19.791 -4.987 5.926 1.00 0.00 N ATOM 1574 CA GLU A 113 -20.720 -5.761 5.090 1.00 0.00 C ATOM 1575 C GLU A 113 -21.462 -4.898 4.081 1.00 0.00 C ATOM 1576 O GLU A 113 -21.048 -4.892 2.921 1.00 0.00 O ATOM 1577 CB GLU A 113 -21.675 -6.622 5.907 1.00 0.00 C ATOM 1578 CG GLU A 113 -20.978 -7.687 6.720 1.00 0.00 C ATOM 1579 CD GLU A 113 -21.939 -8.512 7.502 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -22.415 -8.044 8.560 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -22.232 -9.651 7.096 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.415 -4.209 4.426 1.00 0.00 O ATOM 0 H GLU A 113 -18.814 -5.253 5.801 1.00 0.00 H new ATOM 0 HA GLU A 113 -20.094 -6.446 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -22.247 -5.981 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -22.389 -7.098 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -20.404 -8.332 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -20.267 -7.217 7.400 1.00 0.00 H new TER 1589 GLU A 113