USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.0021) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.253) USER MOD Single : A 15 GLN : amide:sc= -0.0968 K(o=-0.097,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 84:sc= 1.21 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 58:sc= 1.26 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0848 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -151:sc= 1.47 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -7.45! C(o=-7.5!,f=-9.3!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -113:sc= 0.0643 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.45! K(o=-1.5!,f=-0.28) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.5!) USER MOD Single : A 83 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.043) USER MOD Single : A 84 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 75:sc= 0.779 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 133:sc= -0.25 (180deg=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -4.615 -13.712 -9.372 1.00 0.00 N ATOM 41 CA ASN A 4 -4.378 -12.374 -8.844 1.00 0.00 C ATOM 42 C ASN A 4 -3.755 -12.442 -7.450 1.00 0.00 C ATOM 43 O ASN A 4 -4.201 -13.218 -6.604 1.00 0.00 O ATOM 44 CB ASN A 4 -5.689 -11.586 -8.791 1.00 0.00 C ATOM 45 CG ASN A 4 -5.473 -10.095 -8.950 1.00 0.00 C ATOM 46 OD1 ASN A 4 -5.339 -9.591 -10.066 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.439 -9.377 -7.834 1.00 0.00 N ATOM 0 HA ASN A 4 -3.681 -11.864 -9.510 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.355 -11.940 -9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.188 -11.779 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.298 -8.368 -7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.554 -9.834 -6.930 1.00 0.00 H new ATOM 54 N PRO A 5 -2.710 -11.633 -7.189 1.00 0.00 N ATOM 55 CA PRO A 5 -2.032 -11.613 -5.888 1.00 0.00 C ATOM 56 C PRO A 5 -2.932 -11.093 -4.772 1.00 0.00 C ATOM 57 O PRO A 5 -2.941 -11.632 -3.666 1.00 0.00 O ATOM 58 CB PRO A 5 -0.847 -10.657 -6.101 1.00 0.00 C ATOM 59 CG PRO A 5 -0.720 -10.506 -7.579 1.00 0.00 C ATOM 60 CD PRO A 5 -2.103 -10.681 -8.133 1.00 0.00 C ATOM 0 HA PRO A 5 -1.735 -12.615 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.028 -9.695 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.067 -11.062 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.317 -9.527 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.038 -11.250 -7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.649 -9.738 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.086 -11.074 -9.150 1.00 0.00 H new ATOM 68 N ALA A 6 -3.690 -10.041 -5.071 1.00 0.00 N ATOM 69 CA ALA A 6 -4.592 -9.443 -4.092 1.00 0.00 C ATOM 70 C ALA A 6 -5.758 -10.373 -3.770 1.00 0.00 C ATOM 71 O ALA A 6 -6.136 -10.528 -2.609 1.00 0.00 O ATOM 72 CB ALA A 6 -5.106 -8.106 -4.600 1.00 0.00 C ATOM 0 H ALA A 6 -3.697 -9.585 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.031 -9.281 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.778 -7.670 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.265 -7.433 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.644 -8.255 -5.536 1.00 0.00 H new ATOM 78 N GLU A 7 -6.326 -10.986 -4.804 1.00 0.00 N ATOM 79 CA GLU A 7 -7.452 -11.897 -4.629 1.00 0.00 C ATOM 80 C GLU A 7 -7.035 -13.145 -3.857 1.00 0.00 C ATOM 81 O GLU A 7 -7.721 -13.571 -2.928 1.00 0.00 O ATOM 82 CB GLU A 7 -8.030 -12.295 -5.988 1.00 0.00 C ATOM 83 CG GLU A 7 -9.387 -12.974 -5.898 1.00 0.00 C ATOM 84 CD GLU A 7 -9.843 -13.544 -7.226 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.215 -12.750 -8.116 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.829 -14.783 -7.377 1.00 0.00 O ATOM 0 H GLU A 7 -6.025 -10.868 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.217 -11.377 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.119 -11.404 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.331 -12.965 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.340 -13.775 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.126 -12.256 -5.542 1.00 0.00 H new ATOM 93 N ASN A 8 -5.904 -13.725 -4.247 1.00 0.00 N ATOM 94 CA ASN A 8 -5.396 -14.926 -3.594 1.00 0.00 C ATOM 95 C ASN A 8 -5.041 -14.647 -2.138 1.00 0.00 C ATOM 96 O ASN A 8 -5.183 -15.514 -1.275 1.00 0.00 O ATOM 97 CB ASN A 8 -4.168 -15.455 -4.338 1.00 0.00 C ATOM 98 CG ASN A 8 -3.984 -16.950 -4.162 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.630 -17.750 -4.839 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.101 -17.334 -3.248 1.00 0.00 N ATOM 0 H ASN A 8 -5.322 -13.383 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.181 -15.681 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.263 -15.226 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.278 -14.938 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.936 -18.327 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.588 -16.636 -2.710 1.00 0.00 H new ATOM 107 N PHE A 9 -4.580 -13.429 -1.871 1.00 0.00 N ATOM 108 CA PHE A 9 -4.203 -13.030 -0.520 1.00 0.00 C ATOM 109 C PHE A 9 -5.436 -12.890 0.370 1.00 0.00 C ATOM 110 O PHE A 9 -5.487 -13.445 1.468 1.00 0.00 O ATOM 111 CB PHE A 9 -3.423 -11.710 -0.560 1.00 0.00 C ATOM 112 CG PHE A 9 -3.537 -10.893 0.698 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.894 -11.291 1.859 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.285 -9.727 0.717 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.996 -10.541 3.015 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.390 -8.973 1.870 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.745 -9.381 3.021 1.00 0.00 C ATOM 0 H PHE A 9 -4.458 -12.700 -2.574 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.565 -13.806 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.371 -11.927 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.779 -11.115 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.307 -12.197 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.792 -9.404 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.490 -10.862 3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.976 -8.066 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.826 -8.794 3.924 1.00 0.00 H new ATOM 127 N ARG A 10 -6.426 -12.147 -0.113 1.00 0.00 N ATOM 128 CA ARG A 10 -7.658 -11.925 0.637 1.00 0.00 C ATOM 129 C ARG A 10 -8.364 -13.243 0.944 1.00 0.00 C ATOM 130 O ARG A 10 -8.929 -13.416 2.024 1.00 0.00 O ATOM 131 CB ARG A 10 -8.597 -11.003 -0.145 1.00 0.00 C ATOM 132 CG ARG A 10 -8.203 -9.538 -0.079 1.00 0.00 C ATOM 133 CD ARG A 10 -9.148 -8.670 -0.894 1.00 0.00 C ATOM 134 NE ARG A 10 -10.481 -8.604 -0.301 1.00 0.00 N ATOM 135 CZ ARG A 10 -11.423 -7.753 -0.694 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.181 -6.899 -1.680 1.00 0.00 N ATOM 137 NH2 ARG A 10 -12.610 -7.755 -0.102 1.00 0.00 N ATOM 0 H ARG A 10 -6.399 -11.687 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.392 -11.451 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.617 -11.319 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.610 -11.116 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.206 -9.206 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.185 -9.417 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.737 -7.664 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.221 -9.066 -1.907 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.702 -9.248 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.270 -6.894 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.906 -6.247 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.801 -8.410 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.332 -7.101 -0.405 1.00 0.00 H new ATOM 151 N VAL A 11 -8.329 -14.168 -0.009 1.00 0.00 N ATOM 152 CA VAL A 11 -8.971 -15.466 0.165 1.00 0.00 C ATOM 153 C VAL A 11 -8.204 -16.338 1.156 1.00 0.00 C ATOM 154 O VAL A 11 -8.798 -16.972 2.027 1.00 0.00 O ATOM 155 CB VAL A 11 -9.095 -16.217 -1.176 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.654 -17.616 -0.962 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.966 -15.433 -2.146 1.00 0.00 C ATOM 0 H VAL A 11 -7.864 -14.044 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.969 -15.271 0.558 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.099 -16.313 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.733 -18.127 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.989 -18.177 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.641 -17.547 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.043 -15.977 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.961 -15.304 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.519 -14.455 -2.328 1.00 0.00 H new ATOM 167 N LEU A 12 -6.883 -16.364 1.017 1.00 0.00 N ATOM 168 CA LEU A 12 -6.035 -17.162 1.896 1.00 0.00 C ATOM 169 C LEU A 12 -6.207 -16.753 3.357 1.00 0.00 C ATOM 170 O LEU A 12 -6.074 -17.580 4.259 1.00 0.00 O ATOM 171 CB LEU A 12 -4.568 -17.023 1.487 1.00 0.00 C ATOM 172 CG LEU A 12 -3.699 -18.251 1.767 1.00 0.00 C ATOM 173 CD1 LEU A 12 -3.202 -18.860 0.464 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.529 -17.882 2.666 1.00 0.00 C ATOM 0 H LEU A 12 -6.375 -15.841 0.303 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.340 -18.204 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.523 -16.800 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.140 -16.167 2.009 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.307 -18.994 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.586 -19.732 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.054 -19.161 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.610 -18.124 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.922 -18.767 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.920 -17.122 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.906 -17.492 3.612 1.00 0.00 H new ATOM 186 N VAL A 13 -6.501 -15.477 3.585 1.00 0.00 N ATOM 187 CA VAL A 13 -6.683 -14.969 4.942 1.00 0.00 C ATOM 188 C VAL A 13 -8.155 -14.971 5.351 1.00 0.00 C ATOM 189 O VAL A 13 -8.482 -14.745 6.515 1.00 0.00 O ATOM 190 CB VAL A 13 -6.122 -13.541 5.094 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.609 -13.541 4.942 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.768 -12.599 4.090 1.00 0.00 C ATOM 0 H VAL A 13 -6.618 -14.778 2.852 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.130 -15.641 5.598 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.363 -13.183 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.232 -12.524 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.166 -14.177 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.342 -13.922 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.358 -11.597 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.565 -12.951 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.845 -12.573 4.256 1.00 0.00 H new ATOM 202 N LYS A 14 -9.038 -15.228 4.389 1.00 0.00 N ATOM 203 CA LYS A 14 -10.473 -15.253 4.657 1.00 0.00 C ATOM 204 C LYS A 14 -10.942 -16.651 5.044 1.00 0.00 C ATOM 205 O LYS A 14 -11.519 -16.849 6.113 1.00 0.00 O ATOM 206 CB LYS A 14 -11.250 -14.766 3.432 1.00 0.00 C ATOM 207 CG LYS A 14 -11.704 -13.320 3.534 1.00 0.00 C ATOM 208 CD LYS A 14 -12.648 -12.953 2.400 1.00 0.00 C ATOM 209 CE LYS A 14 -12.786 -11.446 2.257 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.477 -11.069 0.993 1.00 0.00 N ATOM 0 H LYS A 14 -8.786 -15.421 3.420 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.665 -14.585 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.624 -14.880 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.123 -15.403 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.202 -13.160 4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.835 -12.662 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.278 -13.376 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.628 -13.394 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.342 -11.050 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.798 -10.987 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.822 -10.091 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.811 -11.144 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.281 -11.709 0.833 1.00 0.00 H new ATOM 224 N GLN A 15 -10.692 -17.619 4.166 1.00 0.00 N ATOM 225 CA GLN A 15 -11.095 -19.001 4.407 1.00 0.00 C ATOM 226 C GLN A 15 -10.541 -19.518 5.731 1.00 0.00 C ATOM 227 O GLN A 15 -11.134 -20.396 6.359 1.00 0.00 O ATOM 228 CB GLN A 15 -10.627 -19.897 3.260 1.00 0.00 C ATOM 229 CG GLN A 15 -9.114 -19.989 3.136 1.00 0.00 C ATOM 230 CD GLN A 15 -8.676 -20.746 1.897 1.00 0.00 C ATOM 231 OE1 GLN A 15 -8.191 -20.154 0.933 1.00 0.00 O ATOM 232 NE2 GLN A 15 -8.847 -22.062 1.916 1.00 0.00 N ATOM 0 H GLN A 15 -10.211 -17.471 3.279 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.183 -19.026 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.033 -20.898 3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.037 -19.518 2.324 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.693 -18.984 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.710 -20.482 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.253 -22.512 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.572 -22.624 1.110 1.00 0.00 H new ATOM 241 N LYS A 16 -9.406 -18.964 6.153 1.00 0.00 N ATOM 242 CA LYS A 16 -8.766 -19.366 7.394 1.00 0.00 C ATOM 243 C LYS A 16 -7.504 -18.546 7.595 1.00 0.00 C ATOM 244 O LYS A 16 -6.700 -18.396 6.674 1.00 0.00 O ATOM 245 CB LYS A 16 -8.448 -20.871 7.381 1.00 0.00 C ATOM 246 CG LYS A 16 -6.972 -21.202 7.209 1.00 0.00 C ATOM 247 CD LYS A 16 -6.723 -22.699 7.301 1.00 0.00 C ATOM 248 CE LYS A 16 -6.324 -23.282 5.954 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.892 -23.687 5.927 1.00 0.00 N ATOM 0 H LYS A 16 -8.911 -18.230 5.646 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.446 -19.182 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.800 -21.312 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.009 -21.341 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.625 -20.833 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.391 -20.688 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.937 -22.894 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.623 -23.197 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.950 -24.146 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.508 -22.546 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.660 -24.079 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.293 -22.857 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.721 -24.408 6.657 1.00 0.00 H new ATOM 263 N LYS A 17 -7.337 -18.002 8.788 1.00 0.00 N ATOM 264 CA LYS A 17 -6.174 -17.190 9.074 1.00 0.00 C ATOM 265 C LYS A 17 -4.912 -18.043 9.056 1.00 0.00 C ATOM 266 O LYS A 17 -4.520 -18.623 10.069 1.00 0.00 O ATOM 267 CB LYS A 17 -6.321 -16.484 10.424 1.00 0.00 C ATOM 268 CG LYS A 17 -6.888 -17.373 11.520 1.00 0.00 C ATOM 269 CD LYS A 17 -8.330 -17.016 11.836 1.00 0.00 C ATOM 270 CE LYS A 17 -8.676 -17.329 13.283 1.00 0.00 C ATOM 271 NZ LYS A 17 -10.145 -17.298 13.524 1.00 0.00 N ATOM 0 H LYS A 17 -7.988 -18.108 9.566 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.092 -16.429 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.346 -16.113 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.968 -15.616 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.830 -18.416 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.282 -17.274 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.495 -15.956 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.996 -17.568 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.286 -18.313 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.186 -16.608 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.338 -17.517 14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.514 -16.352 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.611 -18.004 12.919 1.00 0.00 H new ATOM 285 N ALA A 18 -4.283 -18.113 7.890 1.00 0.00 N ATOM 286 CA ALA A 18 -3.067 -18.897 7.717 1.00 0.00 C ATOM 287 C ALA A 18 -1.941 -18.374 8.600 1.00 0.00 C ATOM 288 O ALA A 18 -1.356 -19.123 9.384 1.00 0.00 O ATOM 289 CB ALA A 18 -2.640 -18.891 6.257 1.00 0.00 C ATOM 0 H ALA A 18 -4.597 -17.634 7.046 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.281 -19.922 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.730 -19.480 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.432 -19.322 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.451 -17.866 5.937 1.00 0.00 H new ATOM 295 N SER A 19 -1.643 -17.083 8.473 1.00 0.00 N ATOM 296 CA SER A 19 -0.581 -16.459 9.257 1.00 0.00 C ATOM 297 C SER A 19 -0.544 -14.950 9.027 1.00 0.00 C ATOM 298 O SER A 19 -0.145 -14.193 9.912 1.00 0.00 O ATOM 299 CB SER A 19 0.775 -17.071 8.897 1.00 0.00 C ATOM 300 OG SER A 19 1.710 -16.889 9.947 1.00 0.00 O ATOM 0 H SER A 19 -2.123 -16.449 7.834 1.00 0.00 H new ATOM 0 HA SER A 19 -0.790 -16.643 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.655 -18.135 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.154 -16.612 7.984 1.00 0.00 H new ATOM 0 HG SER A 19 2.568 -17.290 9.694 1.00 0.00 H new ATOM 306 N PHE A 20 -0.963 -14.529 7.831 1.00 0.00 N ATOM 307 CA PHE A 20 -0.987 -13.114 7.455 1.00 0.00 C ATOM 308 C PHE A 20 0.416 -12.602 7.138 1.00 0.00 C ATOM 309 O PHE A 20 0.659 -12.080 6.052 1.00 0.00 O ATOM 310 CB PHE A 20 -1.624 -12.260 8.556 1.00 0.00 C ATOM 311 CG PHE A 20 -1.914 -10.849 8.125 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.062 -10.550 7.409 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.037 -9.822 8.437 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.330 -9.253 7.011 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.299 -8.524 8.042 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.447 -8.239 7.328 1.00 0.00 C ATOM 0 H PHE A 20 -1.294 -15.157 7.099 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.596 -13.028 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.552 -12.731 8.880 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.959 -12.239 9.420 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.756 -11.339 7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.138 -10.039 8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.228 -9.033 6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.607 -7.733 8.291 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.654 -7.225 7.018 1.00 0.00 H new ATOM 326 N GLU A 21 1.330 -12.745 8.093 1.00 0.00 N ATOM 327 CA GLU A 21 2.709 -12.299 7.909 1.00 0.00 C ATOM 328 C GLU A 21 3.314 -12.878 6.633 1.00 0.00 C ATOM 329 O GLU A 21 3.948 -12.162 5.855 1.00 0.00 O ATOM 330 CB GLU A 21 3.560 -12.699 9.116 1.00 0.00 C ATOM 331 CG GLU A 21 4.720 -11.754 9.383 1.00 0.00 C ATOM 332 CD GLU A 21 5.442 -12.069 10.679 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.987 -11.595 11.741 1.00 0.00 O ATOM 334 OE2 GLU A 21 6.461 -12.788 10.630 1.00 0.00 O ATOM 0 H GLU A 21 1.142 -13.166 9.003 1.00 0.00 H new ATOM 0 HA GLU A 21 2.699 -11.213 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.924 -12.740 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.950 -13.704 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.427 -11.809 8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.349 -10.730 9.418 1.00 0.00 H new ATOM 341 N GLU A 22 3.123 -14.178 6.425 1.00 0.00 N ATOM 342 CA GLU A 22 3.650 -14.851 5.242 1.00 0.00 C ATOM 343 C GLU A 22 3.057 -14.262 3.967 1.00 0.00 C ATOM 344 O GLU A 22 3.780 -13.948 3.020 1.00 0.00 O ATOM 345 CB GLU A 22 3.356 -16.350 5.310 1.00 0.00 C ATOM 346 CG GLU A 22 4.447 -17.154 5.997 1.00 0.00 C ATOM 347 CD GLU A 22 4.438 -18.616 5.592 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.584 -19.368 6.105 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.285 -19.007 4.762 1.00 0.00 O ATOM 0 H GLU A 22 2.607 -14.786 7.061 1.00 0.00 H new ATOM 0 HA GLU A 22 4.729 -14.699 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.415 -16.504 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.218 -16.731 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.418 -16.721 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.322 -17.079 7.077 1.00 0.00 H new ATOM 356 N ALA A 23 1.735 -14.112 3.950 1.00 0.00 N ATOM 357 CA ALA A 23 1.043 -13.559 2.791 1.00 0.00 C ATOM 358 C ALA A 23 1.461 -12.114 2.553 1.00 0.00 C ATOM 359 O ALA A 23 1.535 -11.655 1.413 1.00 0.00 O ATOM 360 CB ALA A 23 -0.463 -13.654 2.982 1.00 0.00 C ATOM 0 H ALA A 23 1.123 -14.366 4.725 1.00 0.00 H new ATOM 0 HA ALA A 23 1.320 -14.142 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.967 -13.238 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.749 -14.699 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.753 -13.094 3.871 1.00 0.00 H new ATOM 366 N SER A 24 1.734 -11.402 3.642 1.00 0.00 N ATOM 367 CA SER A 24 2.156 -10.011 3.561 1.00 0.00 C ATOM 368 C SER A 24 3.516 -9.915 2.886 1.00 0.00 C ATOM 369 O SER A 24 3.689 -9.175 1.918 1.00 0.00 O ATOM 370 CB SER A 24 2.219 -9.390 4.958 1.00 0.00 C ATOM 371 OG SER A 24 0.959 -9.453 5.603 1.00 0.00 O ATOM 0 H SER A 24 1.670 -11.768 4.592 1.00 0.00 H new ATOM 0 HA SER A 24 1.426 -9.461 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.964 -9.912 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.541 -8.351 4.883 1.00 0.00 H new ATOM 0 HG SER A 24 0.851 -10.331 6.025 1.00 0.00 H new ATOM 377 N ASN A 25 4.479 -10.670 3.410 1.00 0.00 N ATOM 378 CA ASN A 25 5.827 -10.686 2.854 1.00 0.00 C ATOM 379 C ASN A 25 5.782 -10.956 1.354 1.00 0.00 C ATOM 380 O ASN A 25 6.494 -10.319 0.576 1.00 0.00 O ATOM 381 CB ASN A 25 6.678 -11.749 3.551 1.00 0.00 C ATOM 382 CG ASN A 25 7.627 -11.152 4.571 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.778 -10.846 4.260 1.00 0.00 O ATOM 384 ND2 ASN A 25 7.148 -10.983 5.798 1.00 0.00 N ATOM 0 H ASN A 25 4.349 -11.278 4.219 1.00 0.00 H new ATOM 0 HA ASN A 25 6.279 -9.708 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.024 -12.468 4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.251 -12.299 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.741 -10.585 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.187 -11.251 6.012 1.00 0.00 H new ATOM 391 N GLN A 26 4.936 -11.902 0.957 1.00 0.00 N ATOM 392 CA GLN A 26 4.789 -12.251 -0.450 1.00 0.00 C ATOM 393 C GLN A 26 4.199 -11.079 -1.227 1.00 0.00 C ATOM 394 O GLN A 26 4.659 -10.749 -2.319 1.00 0.00 O ATOM 395 CB GLN A 26 3.897 -13.485 -0.604 1.00 0.00 C ATOM 396 CG GLN A 26 4.438 -14.509 -1.587 1.00 0.00 C ATOM 397 CD GLN A 26 3.817 -15.880 -1.402 1.00 0.00 C ATOM 398 OE1 GLN A 26 4.075 -16.563 -0.411 1.00 0.00 O ATOM 399 NE2 GLN A 26 2.992 -16.289 -2.359 1.00 0.00 N ATOM 0 H GLN A 26 4.343 -12.439 1.590 1.00 0.00 H new ATOM 0 HA GLN A 26 5.775 -12.480 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.775 -13.958 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.907 -13.168 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.252 -14.164 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.519 -14.585 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.807 -15.690 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.543 -17.202 -2.290 1.00 0.00 H new ATOM 408 N LEU A 27 3.171 -10.462 -0.653 1.00 0.00 N ATOM 409 CA LEU A 27 2.517 -9.318 -1.276 1.00 0.00 C ATOM 410 C LEU A 27 3.524 -8.211 -1.565 1.00 0.00 C ATOM 411 O LEU A 27 3.512 -7.613 -2.643 1.00 0.00 O ATOM 412 CB LEU A 27 1.402 -8.787 -0.369 1.00 0.00 C ATOM 413 CG LEU A 27 0.050 -8.564 -1.055 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.172 -7.514 -2.150 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.483 -9.871 -1.623 1.00 0.00 C ATOM 0 H LEU A 27 2.773 -10.736 0.245 1.00 0.00 H new ATOM 0 HA LEU A 27 2.083 -9.646 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.262 -9.487 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.730 -7.843 0.067 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.657 -8.200 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.798 -7.370 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.507 -6.572 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.895 -7.847 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.444 -9.693 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.223 -10.265 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.611 -10.593 -0.816 1.00 0.00 H new ATOM 427 N ILE A 28 4.396 -7.941 -0.597 1.00 0.00 N ATOM 428 CA ILE A 28 5.412 -6.906 -0.754 1.00 0.00 C ATOM 429 C ILE A 28 6.410 -7.292 -1.841 1.00 0.00 C ATOM 430 O ILE A 28 6.796 -6.461 -2.665 1.00 0.00 O ATOM 431 CB ILE A 28 6.165 -6.649 0.569 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.297 -5.821 1.518 1.00 0.00 C ATOM 433 CG2 ILE A 28 7.490 -5.944 0.311 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.914 -6.557 2.782 1.00 0.00 C ATOM 0 H ILE A 28 4.419 -8.423 0.301 1.00 0.00 H new ATOM 0 HA ILE A 28 4.899 -5.989 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 28 6.378 -7.611 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.832 -4.910 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.390 -5.516 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.002 -5.774 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.113 -6.565 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.304 -4.988 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.299 -5.910 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.351 -7.454 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.815 -6.838 3.327 1.00 0.00 H new ATOM 446 N ASN A 29 6.826 -8.555 -1.835 1.00 0.00 N ATOM 447 CA ASN A 29 7.774 -9.052 -2.825 1.00 0.00 C ATOM 448 C ASN A 29 7.210 -8.888 -4.231 1.00 0.00 C ATOM 449 O ASN A 29 7.916 -8.474 -5.152 1.00 0.00 O ATOM 450 CB ASN A 29 8.099 -10.523 -2.560 1.00 0.00 C ATOM 451 CG ASN A 29 9.551 -10.855 -2.840 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.870 -11.514 -3.830 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.441 -10.400 -1.965 1.00 0.00 N ATOM 0 H ASN A 29 6.521 -9.252 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 29 8.692 -8.469 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.869 -10.762 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.460 -11.151 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.433 -10.593 -2.100 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.132 -9.858 -1.158 1.00 0.00 H new ATOM 460 N HIS A 30 5.930 -9.214 -4.386 1.00 0.00 N ATOM 461 CA HIS A 30 5.262 -9.095 -5.676 1.00 0.00 C ATOM 462 C HIS A 30 5.276 -7.646 -6.144 1.00 0.00 C ATOM 463 O HIS A 30 5.651 -7.353 -7.280 1.00 0.00 O ATOM 464 CB HIS A 30 3.822 -9.601 -5.580 1.00 0.00 C ATOM 465 CG HIS A 30 3.666 -11.039 -5.965 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.265 -12.072 -5.276 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.973 -11.616 -6.976 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.948 -13.222 -5.845 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.165 -12.971 -6.879 1.00 0.00 N ATOM 0 H HIS A 30 5.336 -9.562 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 30 5.799 -9.706 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.466 -9.466 -4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.187 -8.990 -6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.380 -11.105 -7.720 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.273 -14.199 -5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.767 -13.672 -7.504 1.00 0.00 H new ATOM 478 N ILE A 31 4.859 -6.744 -5.260 1.00 0.00 N ATOM 479 CA ILE A 31 4.835 -5.321 -5.579 1.00 0.00 C ATOM 480 C ILE A 31 6.221 -4.841 -5.991 1.00 0.00 C ATOM 481 O ILE A 31 6.381 -4.182 -7.020 1.00 0.00 O ATOM 482 CB ILE A 31 4.341 -4.479 -4.382 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.897 -4.846 -4.034 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.454 -2.993 -4.694 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.436 -4.293 -2.702 1.00 0.00 C ATOM 0 H ILE A 31 4.534 -6.973 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 31 4.140 -5.189 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 31 4.971 -4.698 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.238 -4.477 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.800 -5.932 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.102 -2.414 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.495 -2.742 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.846 -2.757 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.404 -4.593 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.072 -4.683 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.500 -3.205 -2.718 1.00 0.00 H new ATOM 497 N GLU A 32 7.221 -5.176 -5.180 1.00 0.00 N ATOM 498 CA GLU A 32 8.600 -4.788 -5.460 1.00 0.00 C ATOM 499 C GLU A 32 9.031 -5.281 -6.835 1.00 0.00 C ATOM 500 O GLU A 32 9.784 -4.610 -7.540 1.00 0.00 O ATOM 501 CB GLU A 32 9.537 -5.345 -4.387 1.00 0.00 C ATOM 502 CG GLU A 32 9.438 -4.618 -3.055 1.00 0.00 C ATOM 503 CD GLU A 32 10.560 -4.989 -2.105 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.630 -4.348 -2.171 1.00 0.00 O ATOM 505 OE2 GLU A 32 10.369 -5.919 -1.295 1.00 0.00 O ATOM 0 H GLU A 32 7.102 -5.716 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 32 8.656 -3.699 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.313 -6.400 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.564 -5.287 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.455 -3.542 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.480 -4.850 -2.589 1.00 0.00 H new ATOM 512 N GLN A 33 8.552 -6.464 -7.211 1.00 0.00 N ATOM 513 CA GLN A 33 8.880 -7.042 -8.506 1.00 0.00 C ATOM 514 C GLN A 33 8.258 -6.217 -9.626 1.00 0.00 C ATOM 515 O GLN A 33 8.919 -5.883 -10.610 1.00 0.00 O ATOM 516 CB GLN A 33 8.389 -8.488 -8.586 1.00 0.00 C ATOM 517 CG GLN A 33 9.405 -9.506 -8.093 1.00 0.00 C ATOM 518 CD GLN A 33 8.955 -10.935 -8.319 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.159 -11.500 -9.394 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.337 -11.529 -7.305 1.00 0.00 N ATOM 0 H GLN A 33 7.936 -7.039 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 33 9.964 -7.034 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.476 -8.585 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.130 -8.718 -9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.354 -9.343 -8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.584 -9.349 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.189 -11.024 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.011 -12.491 -7.400 1.00 0.00 H new ATOM 529 N PHE A 34 6.978 -5.893 -9.464 1.00 0.00 N ATOM 530 CA PHE A 34 6.257 -5.099 -10.453 1.00 0.00 C ATOM 531 C PHE A 34 6.921 -3.739 -10.644 1.00 0.00 C ATOM 532 O PHE A 34 6.774 -3.106 -11.690 1.00 0.00 O ATOM 533 CB PHE A 34 4.800 -4.913 -10.025 1.00 0.00 C ATOM 534 CG PHE A 34 3.903 -6.042 -10.448 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.504 -6.169 -11.769 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.459 -6.974 -9.524 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.678 -7.207 -12.160 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.633 -8.014 -9.910 1.00 0.00 C ATOM 539 CZ PHE A 34 2.243 -8.130 -11.229 1.00 0.00 C ATOM 0 H PHE A 34 6.419 -6.169 -8.657 1.00 0.00 H new ATOM 0 HA PHE A 34 6.283 -5.634 -11.402 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.758 -4.813 -8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.422 -3.981 -10.446 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.842 -5.450 -12.501 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.761 -6.887 -8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.373 -7.296 -13.192 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.294 -8.734 -9.180 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.598 -8.942 -11.533 1.00 0.00 H new ATOM 549 N LEU A 35 7.652 -3.296 -9.625 1.00 0.00 N ATOM 550 CA LEU A 35 8.344 -2.012 -9.683 1.00 0.00 C ATOM 551 C LEU A 35 9.376 -2.006 -10.805 1.00 0.00 C ATOM 552 O LEU A 35 9.414 -1.085 -11.622 1.00 0.00 O ATOM 553 CB LEU A 35 9.021 -1.709 -8.345 1.00 0.00 C ATOM 554 CG LEU A 35 8.410 -0.547 -7.559 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.808 -0.626 -6.094 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.838 0.785 -8.159 1.00 0.00 C ATOM 0 H LEU A 35 7.780 -3.806 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 35 7.605 -1.237 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.985 -2.605 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.073 -1.490 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 35 7.324 -0.620 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.364 0.208 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.452 -1.565 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.894 -0.578 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.394 1.601 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.924 0.867 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.502 0.842 -9.194 1.00 0.00 H new ATOM 568 N ASP A 36 10.217 -3.038 -10.834 1.00 0.00 N ATOM 569 CA ASP A 36 11.250 -3.166 -11.860 1.00 0.00 C ATOM 570 C ASP A 36 10.658 -3.024 -13.260 1.00 0.00 C ATOM 571 O ASP A 36 11.378 -2.762 -14.225 1.00 0.00 O ATOM 572 CB ASP A 36 11.961 -4.515 -11.729 1.00 0.00 C ATOM 573 CG ASP A 36 13.167 -4.624 -12.641 1.00 0.00 C ATOM 574 OD1 ASP A 36 12.995 -5.041 -13.805 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.283 -4.291 -12.191 1.00 0.00 O ATOM 0 H ASP A 36 10.203 -3.800 -10.156 1.00 0.00 H new ATOM 0 HA ASP A 36 11.972 -2.363 -11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.277 -4.657 -10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.260 -5.316 -11.961 1.00 0.00 H new ATOM 580 N THR A 37 9.344 -3.198 -13.363 1.00 0.00 N ATOM 581 CA THR A 37 8.654 -3.084 -14.638 1.00 0.00 C ATOM 582 C THR A 37 8.061 -1.692 -14.800 1.00 0.00 C ATOM 583 O THR A 37 7.004 -1.385 -14.248 1.00 0.00 O ATOM 584 CB THR A 37 7.531 -4.130 -14.771 1.00 0.00 C ATOM 585 OG1 THR A 37 7.473 -4.942 -13.593 1.00 0.00 O ATOM 586 CG2 THR A 37 7.756 -5.013 -15.990 1.00 0.00 C ATOM 0 H THR A 37 8.736 -3.419 -12.574 1.00 0.00 H new ATOM 0 HA THR A 37 9.391 -3.264 -15.421 1.00 0.00 H new ATOM 0 HB THR A 37 6.586 -3.601 -14.893 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.755 -5.603 -13.686 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.951 -5.744 -16.063 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.769 -4.396 -16.889 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.709 -5.532 -15.892 1.00 0.00 H new ATOM 594 N ASN A 38 8.759 -0.851 -15.551 1.00 0.00 N ATOM 595 CA ASN A 38 8.318 0.520 -15.789 1.00 0.00 C ATOM 596 C ASN A 38 7.194 0.574 -16.823 1.00 0.00 C ATOM 597 O ASN A 38 7.220 1.400 -17.737 1.00 0.00 O ATOM 598 CB ASN A 38 9.495 1.379 -16.255 1.00 0.00 C ATOM 599 CG ASN A 38 10.461 1.696 -15.130 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.206 0.829 -14.673 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.453 2.945 -14.678 1.00 0.00 N ATOM 0 H ASN A 38 9.638 -1.094 -16.009 1.00 0.00 H new ATOM 0 HA ASN A 38 7.932 0.913 -14.849 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.027 0.859 -17.052 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.117 2.309 -16.678 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.081 3.218 -13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.818 3.631 -15.087 1.00 0.00 H new ATOM 608 N GLU A 39 6.210 -0.308 -16.676 1.00 0.00 N ATOM 609 CA GLU A 39 5.078 -0.350 -17.594 1.00 0.00 C ATOM 610 C GLU A 39 3.848 0.296 -16.966 1.00 0.00 C ATOM 611 O GLU A 39 3.640 0.212 -15.755 1.00 0.00 O ATOM 612 CB GLU A 39 4.769 -1.795 -17.991 1.00 0.00 C ATOM 613 CG GLU A 39 5.730 -2.361 -19.022 1.00 0.00 C ATOM 614 CD GLU A 39 5.622 -1.665 -20.365 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.801 -2.104 -21.197 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.358 -0.680 -20.584 1.00 0.00 O ATOM 0 H GLU A 39 6.174 -1.003 -15.930 1.00 0.00 H new ATOM 0 HA GLU A 39 5.344 0.213 -18.489 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.795 -2.422 -17.099 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.754 -1.845 -18.386 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.751 -2.269 -18.651 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.532 -3.425 -19.152 1.00 0.00 H new ATOM 623 N THR A 40 3.035 0.939 -17.798 1.00 0.00 N ATOM 624 CA THR A 40 1.826 1.607 -17.329 1.00 0.00 C ATOM 625 C THR A 40 0.827 0.624 -16.712 1.00 0.00 C ATOM 626 O THR A 40 0.342 0.851 -15.603 1.00 0.00 O ATOM 627 CB THR A 40 1.136 2.385 -18.466 1.00 0.00 C ATOM 628 OG1 THR A 40 2.115 3.073 -19.255 1.00 0.00 O ATOM 629 CG2 THR A 40 0.134 3.385 -17.908 1.00 0.00 C ATOM 0 H THR A 40 3.192 1.012 -18.803 1.00 0.00 H new ATOM 0 HA THR A 40 2.145 2.307 -16.557 1.00 0.00 H new ATOM 0 HB THR A 40 0.602 1.670 -19.092 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.668 3.563 -19.976 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.340 3.922 -18.730 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.626 2.856 -17.333 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.650 4.094 -17.261 1.00 0.00 H new ATOM 637 N PRO A 41 0.498 -0.484 -17.412 1.00 0.00 N ATOM 638 CA PRO A 41 -0.458 -1.475 -16.901 1.00 0.00 C ATOM 639 C PRO A 41 0.106 -2.298 -15.748 1.00 0.00 C ATOM 640 O PRO A 41 -0.644 -2.915 -14.991 1.00 0.00 O ATOM 641 CB PRO A 41 -0.724 -2.367 -18.114 1.00 0.00 C ATOM 642 CG PRO A 41 0.512 -2.263 -18.937 1.00 0.00 C ATOM 643 CD PRO A 41 1.023 -0.862 -18.741 1.00 0.00 C ATOM 0 HA PRO A 41 -1.352 -1.002 -16.495 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.914 -3.397 -17.814 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.599 -2.030 -18.669 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.254 -2.997 -18.622 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.299 -2.457 -19.988 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.112 -0.825 -18.767 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.662 -0.191 -19.520 1.00 0.00 H new ATOM 651 N TYR A 42 1.428 -2.306 -15.618 1.00 0.00 N ATOM 652 CA TYR A 42 2.086 -3.061 -14.555 1.00 0.00 C ATOM 653 C TYR A 42 2.016 -2.314 -13.226 1.00 0.00 C ATOM 654 O TYR A 42 1.785 -2.918 -12.179 1.00 0.00 O ATOM 655 CB TYR A 42 3.543 -3.338 -14.925 1.00 0.00 C ATOM 656 CG TYR A 42 3.738 -4.624 -15.699 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.253 -4.758 -16.994 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.406 -5.702 -15.133 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.428 -5.931 -17.703 1.00 0.00 C ATOM 660 CE2 TYR A 42 4.585 -6.878 -15.836 1.00 0.00 C ATOM 661 CZ TYR A 42 4.094 -6.988 -17.120 1.00 0.00 C ATOM 662 OH TYR A 42 4.270 -8.158 -17.822 1.00 0.00 O ATOM 0 H TYR A 42 2.065 -1.800 -16.233 1.00 0.00 H new ATOM 0 HA TYR A 42 1.561 -4.009 -14.441 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.923 -2.506 -15.518 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.139 -3.379 -14.013 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.731 -3.932 -17.454 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.792 -5.620 -14.128 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.045 -6.019 -18.709 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.107 -7.707 -15.382 1.00 0.00 H new ATOM 0 HH TYR A 42 4.760 -8.801 -17.268 1.00 0.00 H new ATOM 672 N PHE A 43 2.217 -1.001 -13.274 1.00 0.00 N ATOM 673 CA PHE A 43 2.175 -0.178 -12.070 1.00 0.00 C ATOM 674 C PHE A 43 0.773 -0.163 -11.472 1.00 0.00 C ATOM 675 O PHE A 43 0.585 0.193 -10.308 1.00 0.00 O ATOM 676 CB PHE A 43 2.632 1.249 -12.377 1.00 0.00 C ATOM 677 CG PHE A 43 4.108 1.456 -12.185 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.676 1.357 -10.924 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.926 1.748 -13.264 1.00 0.00 C ATOM 680 CE1 PHE A 43 6.033 1.545 -10.745 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.284 1.938 -13.090 1.00 0.00 C ATOM 682 CZ PHE A 43 6.838 1.835 -11.829 1.00 0.00 C ATOM 0 H PHE A 43 2.410 -0.485 -14.132 1.00 0.00 H new ATOM 0 HA PHE A 43 2.857 -0.614 -11.340 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.369 1.494 -13.406 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.089 1.943 -11.736 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.051 1.131 -10.073 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.498 1.828 -14.252 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.464 1.465 -9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.911 2.167 -13.939 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.899 1.981 -11.691 1.00 0.00 H new ATOM 692 N MET A 44 -0.210 -0.550 -12.277 1.00 0.00 N ATOM 693 CA MET A 44 -1.595 -0.587 -11.826 1.00 0.00 C ATOM 694 C MET A 44 -1.819 -1.778 -10.901 1.00 0.00 C ATOM 695 O MET A 44 -2.699 -1.754 -10.039 1.00 0.00 O ATOM 696 CB MET A 44 -2.545 -0.666 -13.023 1.00 0.00 C ATOM 697 CG MET A 44 -2.652 0.635 -13.800 1.00 0.00 C ATOM 698 SD MET A 44 -3.597 0.459 -15.325 1.00 0.00 S ATOM 699 CE MET A 44 -3.707 2.167 -15.852 1.00 0.00 C ATOM 0 H MET A 44 -0.073 -0.842 -13.245 1.00 0.00 H new ATOM 0 HA MET A 44 -1.803 0.330 -11.275 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.205 -1.454 -13.695 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.536 -0.952 -12.672 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.122 1.391 -13.171 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.651 0.995 -14.037 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.266 2.224 -16.786 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.218 2.752 -15.087 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.704 2.566 -16.004 1.00 0.00 H new ATOM 709 N LYS A 45 -1.013 -2.819 -11.087 1.00 0.00 N ATOM 710 CA LYS A 45 -1.111 -4.022 -10.271 1.00 0.00 C ATOM 711 C LYS A 45 -0.571 -3.772 -8.868 1.00 0.00 C ATOM 712 O LYS A 45 -1.070 -4.334 -7.890 1.00 0.00 O ATOM 713 CB LYS A 45 -0.346 -5.175 -10.926 1.00 0.00 C ATOM 714 CG LYS A 45 -0.797 -6.548 -10.454 1.00 0.00 C ATOM 715 CD LYS A 45 -1.308 -7.393 -11.609 1.00 0.00 C ATOM 716 CE LYS A 45 -2.109 -8.586 -11.113 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.181 -9.670 -12.132 1.00 0.00 N ATOM 0 H LYS A 45 -0.283 -2.852 -11.798 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.164 -4.292 -10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.468 -5.113 -12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.718 -5.059 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.035 -7.058 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.583 -6.437 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.931 -6.781 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.466 -7.742 -12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.655 -8.974 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.118 -8.264 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.736 -10.465 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.638 -9.307 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.220 -9.996 -12.361 1.00 0.00 H new ATOM 731 N SER A 46 0.448 -2.921 -8.769 1.00 0.00 N ATOM 732 CA SER A 46 1.045 -2.599 -7.480 1.00 0.00 C ATOM 733 C SER A 46 0.049 -1.834 -6.620 1.00 0.00 C ATOM 734 O SER A 46 -0.187 -2.185 -5.464 1.00 0.00 O ATOM 735 CB SER A 46 2.320 -1.777 -7.669 1.00 0.00 C ATOM 736 OG SER A 46 2.412 -1.270 -8.989 1.00 0.00 O ATOM 0 H SER A 46 0.874 -2.445 -9.564 1.00 0.00 H new ATOM 0 HA SER A 46 1.306 -3.530 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.332 -0.951 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.191 -2.396 -7.453 1.00 0.00 H new ATOM 0 HG SER A 46 1.624 -0.721 -9.184 1.00 0.00 H new ATOM 742 N ILE A 47 -0.525 -0.778 -7.190 1.00 0.00 N ATOM 743 CA ILE A 47 -1.513 0.025 -6.483 1.00 0.00 C ATOM 744 C ILE A 47 -2.697 -0.840 -6.076 1.00 0.00 C ATOM 745 O ILE A 47 -3.218 -0.717 -4.968 1.00 0.00 O ATOM 746 CB ILE A 47 -2.018 1.197 -7.344 1.00 0.00 C ATOM 747 CG1 ILE A 47 -0.839 1.946 -7.965 1.00 0.00 C ATOM 748 CG2 ILE A 47 -2.872 2.139 -6.509 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.209 2.732 -9.202 1.00 0.00 C ATOM 0 H ILE A 47 -0.322 -0.460 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.026 0.433 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.635 0.798 -8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.420 2.626 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.057 1.230 -8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.221 2.962 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.729 1.596 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.278 2.534 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.325 3.238 -9.590 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.601 2.054 -9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.969 3.472 -8.949 1.00 0.00 H new ATOM 761 N ASP A 48 -3.122 -1.714 -6.985 1.00 0.00 N ATOM 762 CA ASP A 48 -4.234 -2.613 -6.710 1.00 0.00 C ATOM 763 C ASP A 48 -3.894 -3.514 -5.530 1.00 0.00 C ATOM 764 O ASP A 48 -4.778 -3.984 -4.813 1.00 0.00 O ATOM 765 CB ASP A 48 -4.556 -3.459 -7.943 1.00 0.00 C ATOM 766 CG ASP A 48 -6.047 -3.651 -8.139 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.687 -2.759 -8.735 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.576 -4.693 -7.696 1.00 0.00 O ATOM 0 H ASP A 48 -2.714 -1.817 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.112 -2.017 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.134 -2.982 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.076 -4.433 -7.847 1.00 0.00 H new ATOM 773 N CYS A 49 -2.598 -3.743 -5.335 1.00 0.00 N ATOM 774 CA CYS A 49 -2.123 -4.577 -4.242 1.00 0.00 C ATOM 775 C CYS A 49 -2.074 -3.779 -2.944 1.00 0.00 C ATOM 776 O CYS A 49 -2.492 -4.265 -1.891 1.00 0.00 O ATOM 777 CB CYS A 49 -0.738 -5.140 -4.564 1.00 0.00 C ATOM 778 SG CYS A 49 -0.770 -6.725 -5.434 1.00 0.00 S ATOM 0 H CYS A 49 -1.858 -3.360 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.819 -5.407 -4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.195 -4.415 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.181 -5.259 -3.635 1.00 0.00 H new ATOM 0 HG CYS A 49 0.448 -7.118 -5.664 1.00 0.00 H new ATOM 784 N ILE A 50 -1.556 -2.554 -3.020 1.00 0.00 N ATOM 785 CA ILE A 50 -1.462 -1.690 -1.848 1.00 0.00 C ATOM 786 C ILE A 50 -2.850 -1.301 -1.350 1.00 0.00 C ATOM 787 O ILE A 50 -3.042 -1.040 -0.164 1.00 0.00 O ATOM 788 CB ILE A 50 -0.644 -0.411 -2.155 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.064 0.180 -0.867 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.496 0.623 -2.878 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.989 1.239 -1.111 1.00 0.00 C ATOM 0 H ILE A 50 -1.196 -2.140 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.947 -2.253 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 50 0.180 -0.689 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.873 0.612 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.370 -0.623 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.897 1.511 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.856 0.205 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.347 0.895 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.356 1.614 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.817 0.806 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.554 2.061 -1.680 1.00 0.00 H new ATOM 803 N ARG A 51 -3.815 -1.274 -2.266 1.00 0.00 N ATOM 804 CA ARG A 51 -5.187 -0.918 -1.923 1.00 0.00 C ATOM 805 C ARG A 51 -5.906 -2.096 -1.277 1.00 0.00 C ATOM 806 O ARG A 51 -6.783 -1.916 -0.431 1.00 0.00 O ATOM 807 CB ARG A 51 -5.946 -0.466 -3.172 1.00 0.00 C ATOM 808 CG ARG A 51 -5.570 0.930 -3.642 1.00 0.00 C ATOM 809 CD ARG A 51 -6.792 1.828 -3.758 1.00 0.00 C ATOM 810 NE ARG A 51 -7.868 1.193 -4.513 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.998 1.810 -4.847 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.196 3.075 -4.497 1.00 0.00 N ATOM 813 NH2 ARG A 51 -9.929 1.163 -5.534 1.00 0.00 N ATOM 0 H ARG A 51 -3.671 -1.495 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.156 -0.096 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.757 -1.175 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.016 -0.495 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.859 1.371 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.070 0.867 -4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.150 2.083 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.511 2.762 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.746 0.222 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.481 3.576 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.064 3.546 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.779 0.192 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.795 1.637 -5.790 1.00 0.00 H new ATOM 827 N ALA A 52 -5.521 -3.303 -1.678 1.00 0.00 N ATOM 828 CA ALA A 52 -6.122 -4.515 -1.138 1.00 0.00 C ATOM 829 C ALA A 52 -5.552 -4.822 0.239 1.00 0.00 C ATOM 830 O ALA A 52 -6.266 -5.275 1.135 1.00 0.00 O ATOM 831 CB ALA A 52 -5.897 -5.685 -2.082 1.00 0.00 C ATOM 0 H ALA A 52 -4.795 -3.467 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.196 -4.355 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.352 -6.583 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.350 -5.465 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.827 -5.847 -2.212 1.00 0.00 H new ATOM 837 N PHE A 53 -4.257 -4.569 0.400 1.00 0.00 N ATOM 838 CA PHE A 53 -3.582 -4.808 1.669 1.00 0.00 C ATOM 839 C PHE A 53 -3.937 -3.723 2.679 1.00 0.00 C ATOM 840 O PHE A 53 -4.282 -4.015 3.824 1.00 0.00 O ATOM 841 CB PHE A 53 -2.066 -4.857 1.465 1.00 0.00 C ATOM 842 CG PHE A 53 -1.322 -5.425 2.640 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.153 -6.794 2.772 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.792 -4.590 3.611 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.469 -7.320 3.852 1.00 0.00 C ATOM 846 CE2 PHE A 53 -0.107 -5.111 4.692 1.00 0.00 C ATOM 847 CZ PHE A 53 0.054 -6.477 4.814 1.00 0.00 C ATOM 0 H PHE A 53 -3.654 -4.198 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.917 -5.769 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.845 -5.456 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.701 -3.849 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.560 -7.457 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.916 -3.521 3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.343 -8.389 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.302 -4.450 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.588 -6.886 5.659 1.00 0.00 H new ATOM 857 N ARG A 54 -3.839 -2.469 2.245 1.00 0.00 N ATOM 858 CA ARG A 54 -4.155 -1.330 3.101 1.00 0.00 C ATOM 859 C ARG A 54 -5.500 -1.514 3.793 1.00 0.00 C ATOM 860 O ARG A 54 -5.623 -1.295 4.996 1.00 0.00 O ATOM 861 CB ARG A 54 -4.170 -0.041 2.276 1.00 0.00 C ATOM 862 CG ARG A 54 -4.305 1.224 3.108 1.00 0.00 C ATOM 863 CD ARG A 54 -5.755 1.667 3.219 1.00 0.00 C ATOM 864 NE ARG A 54 -6.063 2.765 2.306 1.00 0.00 N ATOM 865 CZ ARG A 54 -6.933 3.732 2.582 1.00 0.00 C ATOM 866 NH1 ARG A 54 -7.579 3.738 3.740 1.00 0.00 N ATOM 867 NH2 ARG A 54 -7.157 4.696 1.699 1.00 0.00 N ATOM 0 H ARG A 54 -3.542 -2.216 1.302 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.383 -1.263 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.251 0.016 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.995 -0.086 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.900 1.050 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.713 2.021 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.410 0.822 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.962 1.978 4.243 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.584 2.791 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.409 2.999 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.246 4.481 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.662 4.696 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.825 5.437 1.912 1.00 0.00 H new ATOM 881 N GLU A 55 -6.505 -1.923 3.026 1.00 0.00 N ATOM 882 CA GLU A 55 -7.848 -2.123 3.564 1.00 0.00 C ATOM 883 C GLU A 55 -7.892 -3.287 4.552 1.00 0.00 C ATOM 884 O GLU A 55 -8.450 -3.165 5.645 1.00 0.00 O ATOM 885 CB GLU A 55 -8.840 -2.371 2.427 1.00 0.00 C ATOM 886 CG GLU A 55 -9.446 -1.097 1.861 1.00 0.00 C ATOM 887 CD GLU A 55 -10.379 -1.362 0.695 1.00 0.00 C ATOM 888 OE1 GLU A 55 -9.882 -1.491 -0.444 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.604 -1.440 0.921 1.00 0.00 O ATOM 0 H GLU A 55 -6.416 -2.123 2.030 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.127 -1.216 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.335 -2.910 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.641 -3.015 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.993 -0.578 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.646 -0.431 1.537 1.00 0.00 H new ATOM 896 N GLU A 56 -7.302 -4.413 4.165 1.00 0.00 N ATOM 897 CA GLU A 56 -7.288 -5.602 5.013 1.00 0.00 C ATOM 898 C GLU A 56 -6.570 -5.343 6.334 1.00 0.00 C ATOM 899 O GLU A 56 -6.917 -5.926 7.363 1.00 0.00 O ATOM 900 CB GLU A 56 -6.617 -6.765 4.280 1.00 0.00 C ATOM 901 CG GLU A 56 -7.512 -7.430 3.246 1.00 0.00 C ATOM 902 CD GLU A 56 -7.912 -8.839 3.641 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.123 -9.507 4.341 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.014 -9.275 3.246 1.00 0.00 O ATOM 0 H GLU A 56 -6.827 -4.528 3.270 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.323 -5.859 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.715 -6.401 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.303 -7.511 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.409 -6.827 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.994 -7.458 2.287 1.00 0.00 H new ATOM 911 N ALA A 57 -5.576 -4.460 6.306 1.00 0.00 N ATOM 912 CA ALA A 57 -4.805 -4.142 7.500 1.00 0.00 C ATOM 913 C ALA A 57 -5.510 -3.100 8.361 1.00 0.00 C ATOM 914 O ALA A 57 -5.739 -3.318 9.553 1.00 0.00 O ATOM 915 CB ALA A 57 -3.416 -3.656 7.115 1.00 0.00 C ATOM 0 H ALA A 57 -5.287 -3.953 5.469 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.714 -5.054 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.850 -3.422 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.900 -4.436 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.502 -2.762 6.498 1.00 0.00 H new ATOM 921 N ILE A 58 -5.855 -1.968 7.752 1.00 0.00 N ATOM 922 CA ILE A 58 -6.525 -0.895 8.476 1.00 0.00 C ATOM 923 C ILE A 58 -7.821 -1.388 9.105 1.00 0.00 C ATOM 924 O ILE A 58 -8.120 -1.068 10.255 1.00 0.00 O ATOM 925 CB ILE A 58 -6.823 0.317 7.570 1.00 0.00 C ATOM 926 CG1 ILE A 58 -7.811 -0.058 6.461 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.533 0.856 6.974 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.197 0.516 6.667 1.00 0.00 C ATOM 0 H ILE A 58 -5.683 -1.772 6.766 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.841 -0.574 9.261 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.281 1.096 8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.421 0.290 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.882 -1.144 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.756 1.711 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.863 1.166 7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.053 0.077 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.843 0.210 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.607 0.148 7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.139 1.604 6.698 1.00 0.00 H new ATOM 940 N LYS A 59 -8.589 -2.164 8.343 1.00 0.00 N ATOM 941 CA LYS A 59 -9.846 -2.706 8.839 1.00 0.00 C ATOM 942 C LYS A 59 -9.646 -3.359 10.201 1.00 0.00 C ATOM 943 O LYS A 59 -10.363 -3.049 11.152 1.00 0.00 O ATOM 944 CB LYS A 59 -10.424 -3.713 7.843 1.00 0.00 C ATOM 945 CG LYS A 59 -11.264 -3.071 6.751 1.00 0.00 C ATOM 946 CD LYS A 59 -11.907 -4.115 5.856 1.00 0.00 C ATOM 947 CE LYS A 59 -13.202 -3.604 5.247 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.915 -4.664 4.483 1.00 0.00 N ATOM 0 H LYS A 59 -8.362 -2.429 7.385 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.554 -1.885 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.606 -4.267 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.035 -4.436 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.038 -2.452 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.638 -2.411 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.214 -4.391 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.106 -5.018 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.851 -3.228 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.986 -2.764 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.793 -4.274 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.306 -5.005 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.145 -5.455 5.118 1.00 0.00 H new ATOM 962 N PHE A 60 -8.671 -4.265 10.294 1.00 0.00 N ATOM 963 CA PHE A 60 -8.377 -4.937 11.557 1.00 0.00 C ATOM 964 C PHE A 60 -7.168 -5.859 11.426 1.00 0.00 C ATOM 965 O PHE A 60 -7.301 -7.042 11.120 1.00 0.00 O ATOM 966 CB PHE A 60 -9.599 -5.722 12.070 1.00 0.00 C ATOM 967 CG PHE A 60 -10.158 -6.730 11.100 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.931 -6.326 10.024 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.915 -8.085 11.271 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.450 -7.250 9.137 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.430 -9.014 10.387 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.198 -8.596 9.318 1.00 0.00 C ATOM 0 H PHE A 60 -8.076 -4.548 9.515 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.138 -4.164 12.287 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.321 -6.239 12.989 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.386 -5.013 12.328 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.131 -5.275 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.316 -8.418 12.105 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.052 -6.920 8.303 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.232 -10.066 10.532 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.601 -9.320 8.625 1.00 0.00 H new ATOM 982 N SER A 61 -5.978 -5.307 11.657 1.00 0.00 N ATOM 983 CA SER A 61 -4.753 -6.091 11.569 1.00 0.00 C ATOM 984 C SER A 61 -3.538 -5.293 12.025 1.00 0.00 C ATOM 985 O SER A 61 -3.256 -5.204 13.220 1.00 0.00 O ATOM 986 CB SER A 61 -4.545 -6.605 10.143 1.00 0.00 C ATOM 987 OG SER A 61 -3.706 -7.747 10.130 1.00 0.00 O ATOM 0 H SER A 61 -5.839 -4.327 11.904 1.00 0.00 H new ATOM 0 HA SER A 61 -4.862 -6.943 12.240 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.509 -6.853 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.104 -5.819 9.530 1.00 0.00 H new ATOM 0 HG SER A 61 -3.221 -7.787 9.280 1.00 0.00 H new ATOM 993 N GLU A 62 -2.820 -4.713 11.071 1.00 0.00 N ATOM 994 CA GLU A 62 -1.627 -3.940 11.386 1.00 0.00 C ATOM 995 C GLU A 62 -1.594 -2.637 10.602 1.00 0.00 C ATOM 996 O GLU A 62 -0.734 -2.439 9.745 1.00 0.00 O ATOM 997 CB GLU A 62 -0.372 -4.762 11.088 1.00 0.00 C ATOM 998 CG GLU A 62 -0.064 -5.808 12.146 1.00 0.00 C ATOM 999 CD GLU A 62 1.187 -6.604 11.832 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.297 -6.050 11.982 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.059 -7.781 11.436 1.00 0.00 O ATOM 0 H GLU A 62 -3.043 -4.763 10.077 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.653 -3.697 12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.492 -5.257 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.480 -4.088 10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.055 -5.318 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.910 -6.489 12.236 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.549 -1.761 10.879 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.612 -0.464 10.208 1.00 0.00 C ATOM 1010 C GLU A 63 -1.284 0.288 10.326 1.00 0.00 C ATOM 1011 O GLU A 63 -0.882 1.007 9.410 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.744 0.382 10.793 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.674 0.531 12.303 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.904 1.205 12.879 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -6.022 0.886 12.423 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.750 2.051 13.784 1.00 0.00 O ATOM 0 H GLU A 63 -3.290 -1.921 11.561 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.808 -0.645 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.720 1.372 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.699 -0.069 10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.557 -0.453 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.789 1.111 12.567 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.603 0.111 11.458 1.00 0.00 N ATOM 1024 CA GLN A 64 0.679 0.776 11.699 1.00 0.00 C ATOM 1025 C GLN A 64 1.756 0.243 10.761 1.00 0.00 C ATOM 1026 O GLN A 64 2.796 0.877 10.564 1.00 0.00 O ATOM 1027 CB GLN A 64 1.109 0.581 13.152 1.00 0.00 C ATOM 1028 CG GLN A 64 0.118 1.139 14.160 1.00 0.00 C ATOM 1029 CD GLN A 64 0.541 0.893 15.595 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.383 1.607 16.138 1.00 0.00 O ATOM 1031 NE2 GLN A 64 -0.044 -0.125 16.217 1.00 0.00 N ATOM 0 H GLN A 64 -0.917 -0.487 12.223 1.00 0.00 H new ATOM 0 HA GLN A 64 0.551 1.841 11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.247 -0.484 13.342 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.077 1.060 13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.006 2.211 13.997 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.859 0.687 13.991 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.737 -0.691 15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.200 -0.340 17.184 1.00 0.00 H new ATOM 1040 N ARG A 65 1.497 -0.924 10.184 1.00 0.00 N ATOM 1041 CA ARG A 65 2.433 -1.544 9.256 1.00 0.00 C ATOM 1042 C ARG A 65 2.384 -0.815 7.919 1.00 0.00 C ATOM 1043 O ARG A 65 3.302 -0.913 7.101 1.00 0.00 O ATOM 1044 CB ARG A 65 2.098 -3.027 9.070 1.00 0.00 C ATOM 1045 CG ARG A 65 2.889 -3.700 7.961 1.00 0.00 C ATOM 1046 CD ARG A 65 2.448 -5.140 7.758 1.00 0.00 C ATOM 1047 NE ARG A 65 3.561 -6.005 7.377 1.00 0.00 N ATOM 1048 CZ ARG A 65 3.818 -7.175 7.955 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.044 -7.618 8.938 1.00 0.00 N ATOM 1050 NH2 ARG A 65 4.848 -7.904 7.550 1.00 0.00 N ATOM 0 H ARG A 65 0.644 -1.461 10.343 1.00 0.00 H new ATOM 0 HA ARG A 65 3.441 -1.472 9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.284 -3.552 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.034 -3.125 8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.760 -3.144 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.951 -3.674 8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.997 -5.514 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.679 -5.178 6.987 1.00 0.00 H new ATOM 0 HE ARG A 65 4.176 -5.694 6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.250 -7.061 9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.244 -8.516 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.445 -7.568 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.044 -8.801 7.994 1.00 0.00 H new ATOM 1064 N PHE A 66 1.309 -0.056 7.723 1.00 0.00 N ATOM 1065 CA PHE A 66 1.123 0.704 6.497 1.00 0.00 C ATOM 1066 C PHE A 66 1.806 2.058 6.626 1.00 0.00 C ATOM 1067 O PHE A 66 2.557 2.468 5.743 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.363 0.886 6.187 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.629 1.184 4.739 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.575 0.178 3.790 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.923 2.473 4.328 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.813 0.451 2.457 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.160 2.753 2.996 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.104 1.740 2.059 1.00 0.00 C ATOM 0 H PHE A 66 0.554 0.047 8.401 1.00 0.00 H new ATOM 0 HA PHE A 66 1.573 0.151 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.901 -0.019 6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.759 1.697 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.344 -0.832 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.968 3.269 5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.771 -0.344 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.389 3.763 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.288 1.956 1.017 1.00 0.00 H new ATOM 1084 N ASN A 67 1.544 2.747 7.737 1.00 0.00 N ATOM 1085 CA ASN A 67 2.166 4.040 7.986 1.00 0.00 C ATOM 1086 C ASN A 67 3.660 3.835 8.181 1.00 0.00 C ATOM 1087 O ASN A 67 4.462 4.765 8.061 1.00 0.00 O ATOM 1088 CB ASN A 67 1.555 4.727 9.213 1.00 0.00 C ATOM 1089 CG ASN A 67 1.046 3.754 10.246 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.781 3.362 11.152 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.218 3.371 10.125 1.00 0.00 N ATOM 0 H ASN A 67 0.910 2.432 8.471 1.00 0.00 H new ATOM 0 HA ASN A 67 1.989 4.690 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.304 5.373 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.734 5.368 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.621 2.723 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.787 3.725 9.356 1.00 0.00 H new ATOM 1098 N ASN A 68 4.016 2.588 8.479 1.00 0.00 N ATOM 1099 CA ASN A 68 5.412 2.220 8.670 1.00 0.00 C ATOM 1100 C ASN A 68 6.117 2.221 7.321 1.00 0.00 C ATOM 1101 O ASN A 68 7.103 2.934 7.114 1.00 0.00 O ATOM 1102 CB ASN A 68 5.524 0.842 9.325 1.00 0.00 C ATOM 1103 CG ASN A 68 6.965 0.407 9.513 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.645 0.855 10.435 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.436 -0.471 8.636 1.00 0.00 N ATOM 0 H ASN A 68 3.357 1.818 8.593 1.00 0.00 H new ATOM 0 HA ASN A 68 5.886 2.946 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.024 0.861 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.003 0.107 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.398 -0.801 8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.836 -0.816 7.887 1.00 0.00 H new ATOM 1112 N PHE A 69 5.596 1.411 6.404 1.00 0.00 N ATOM 1113 CA PHE A 69 6.144 1.326 5.056 1.00 0.00 C ATOM 1114 C PHE A 69 5.891 2.618 4.283 1.00 0.00 C ATOM 1115 O PHE A 69 6.606 2.933 3.333 1.00 0.00 O ATOM 1116 CB PHE A 69 5.529 0.142 4.307 1.00 0.00 C ATOM 1117 CG PHE A 69 6.426 -0.427 3.245 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.413 -1.344 3.572 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.284 -0.044 1.921 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.240 -1.869 2.597 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.108 -0.566 0.942 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.088 -1.479 1.280 1.00 0.00 C ATOM 0 H PHE A 69 4.794 0.804 6.571 1.00 0.00 H new ATOM 0 HA PHE A 69 7.221 1.177 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.284 -0.643 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.592 0.459 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.537 -1.651 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.521 0.671 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.004 -2.584 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.986 -0.260 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.734 -1.887 0.517 1.00 0.00 H new ATOM 1132 N LEU A 70 4.866 3.360 4.699 1.00 0.00 N ATOM 1133 CA LEU A 70 4.521 4.622 4.048 1.00 0.00 C ATOM 1134 C LEU A 70 5.612 5.657 4.280 1.00 0.00 C ATOM 1135 O LEU A 70 6.106 6.279 3.340 1.00 0.00 O ATOM 1136 CB LEU A 70 3.192 5.164 4.586 1.00 0.00 C ATOM 1137 CG LEU A 70 1.929 4.707 3.847 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.732 5.512 4.323 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.091 4.846 2.339 1.00 0.00 C ATOM 0 H LEU A 70 4.262 3.110 5.482 1.00 0.00 H new ATOM 0 HA LEU A 70 4.424 4.430 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.101 4.873 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.230 6.253 4.560 1.00 0.00 H new ATOM 0 HG LEU A 70 1.766 3.653 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.162 5.182 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.596 5.362 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.902 6.570 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.179 4.514 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.281 5.890 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.929 4.234 2.005 1.00 0.00 H new ATOM 1151 N LYS A 71 5.972 5.847 5.545 1.00 0.00 N ATOM 1152 CA LYS A 71 7.006 6.804 5.909 1.00 0.00 C ATOM 1153 C LYS A 71 8.315 6.479 5.200 1.00 0.00 C ATOM 1154 O LYS A 71 9.001 7.374 4.701 1.00 0.00 O ATOM 1155 CB LYS A 71 7.220 6.806 7.423 1.00 0.00 C ATOM 1156 CG LYS A 71 6.263 7.720 8.172 1.00 0.00 C ATOM 1157 CD LYS A 71 6.484 7.647 9.674 1.00 0.00 C ATOM 1158 CE LYS A 71 5.480 8.502 10.428 1.00 0.00 C ATOM 1159 NZ LYS A 71 4.298 7.712 10.870 1.00 0.00 N ATOM 0 H LYS A 71 5.561 5.349 6.335 1.00 0.00 H new ATOM 0 HA LYS A 71 6.677 7.795 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.107 5.789 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.244 7.113 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.398 8.747 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.235 7.441 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.402 6.612 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.495 7.978 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.964 8.948 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.150 9.322 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.453 8.034 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.460 6.704 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.154 7.845 11.891 1.00 0.00 H new ATOM 1173 N ALA A 72 8.653 5.192 5.151 1.00 0.00 N ATOM 1174 CA ALA A 72 9.886 4.752 4.501 1.00 0.00 C ATOM 1175 C ALA A 72 9.798 4.907 2.987 1.00 0.00 C ATOM 1176 O ALA A 72 10.726 5.402 2.343 1.00 0.00 O ATOM 1177 CB ALA A 72 10.190 3.308 4.870 1.00 0.00 C ATOM 0 H ALA A 72 8.094 4.439 5.551 1.00 0.00 H new ATOM 0 HA ALA A 72 10.699 5.386 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.111 2.993 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.308 3.226 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.369 2.669 4.545 1.00 0.00 H new ATOM 1183 N LEU A 73 8.679 4.472 2.424 1.00 0.00 N ATOM 1184 CA LEU A 73 8.461 4.561 0.986 1.00 0.00 C ATOM 1185 C LEU A 73 8.520 6.011 0.523 1.00 0.00 C ATOM 1186 O LEU A 73 9.342 6.370 -0.317 1.00 0.00 O ATOM 1187 CB LEU A 73 7.108 3.943 0.619 1.00 0.00 C ATOM 1188 CG LEU A 73 6.589 4.281 -0.782 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.317 3.456 -1.833 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.088 4.043 -0.863 1.00 0.00 C ATOM 0 H LEU A 73 7.907 4.053 2.942 1.00 0.00 H new ATOM 0 HA LEU A 73 9.252 4.006 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.187 2.859 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.368 4.269 1.350 1.00 0.00 H new ATOM 0 HG LEU A 73 6.783 5.336 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.936 3.709 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.385 3.672 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.153 2.396 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.734 4.288 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.873 2.996 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.580 4.674 -0.134 1.00 0.00 H new ATOM 1202 N GLN A 74 7.648 6.839 1.087 1.00 0.00 N ATOM 1203 CA GLN A 74 7.578 8.254 0.732 1.00 0.00 C ATOM 1204 C GLN A 74 8.954 8.916 0.743 1.00 0.00 C ATOM 1205 O GLN A 74 9.395 9.458 -0.271 1.00 0.00 O ATOM 1206 CB GLN A 74 6.642 8.991 1.692 1.00 0.00 C ATOM 1207 CG GLN A 74 6.695 10.507 1.565 1.00 0.00 C ATOM 1208 CD GLN A 74 5.673 11.046 0.583 1.00 0.00 C ATOM 1209 OE1 GLN A 74 4.921 11.969 0.897 1.00 0.00 O ATOM 1210 NE2 GLN A 74 5.641 10.472 -0.613 1.00 0.00 N ATOM 0 H GLN A 74 6.974 6.553 1.797 1.00 0.00 H new ATOM 0 HA GLN A 74 7.188 8.316 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.620 8.657 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.895 8.713 2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.525 10.956 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.693 10.806 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.283 9.710 -0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.974 10.793 -1.315 1.00 0.00 H new ATOM 1219 N GLU A 75 9.628 8.873 1.890 1.00 0.00 N ATOM 1220 CA GLU A 75 10.943 9.496 2.021 1.00 0.00 C ATOM 1221 C GLU A 75 11.899 9.020 0.931 1.00 0.00 C ATOM 1222 O GLU A 75 12.650 9.817 0.362 1.00 0.00 O ATOM 1223 CB GLU A 75 11.536 9.222 3.407 1.00 0.00 C ATOM 1224 CG GLU A 75 11.896 7.765 3.648 1.00 0.00 C ATOM 1225 CD GLU A 75 12.580 7.548 4.984 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.883 7.571 6.020 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.814 7.356 4.994 1.00 0.00 O ATOM 0 H GLU A 75 9.288 8.417 2.737 1.00 0.00 H new ATOM 0 HA GLU A 75 10.810 10.571 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.430 9.833 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.821 9.539 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.991 7.159 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.551 7.419 2.848 1.00 0.00 H new ATOM 1234 N LYS A 76 11.859 7.725 0.633 1.00 0.00 N ATOM 1235 CA LYS A 76 12.728 7.145 -0.385 1.00 0.00 C ATOM 1236 C LYS A 76 12.387 7.676 -1.775 1.00 0.00 C ATOM 1237 O LYS A 76 13.236 8.260 -2.453 1.00 0.00 O ATOM 1238 CB LYS A 76 12.616 5.619 -0.370 1.00 0.00 C ATOM 1239 CG LYS A 76 13.932 4.910 -0.638 1.00 0.00 C ATOM 1240 CD LYS A 76 13.843 3.428 -0.314 1.00 0.00 C ATOM 1241 CE LYS A 76 15.076 2.678 -0.793 1.00 0.00 C ATOM 1242 NZ LYS A 76 16.103 2.556 0.278 1.00 0.00 N ATOM 0 H LYS A 76 11.233 7.057 1.083 1.00 0.00 H new ATOM 0 HA LYS A 76 13.753 7.434 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.232 5.301 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.887 5.309 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.209 5.039 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.721 5.367 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.731 3.296 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.954 3.005 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.787 1.684 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.506 3.196 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.927 2.039 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.398 3.505 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.702 2.039 1.086 1.00 0.00 H new ATOM 1256 N VAL A 77 11.138 7.475 -2.194 1.00 0.00 N ATOM 1257 CA VAL A 77 10.699 7.928 -3.512 1.00 0.00 C ATOM 1258 C VAL A 77 10.775 9.445 -3.612 1.00 0.00 C ATOM 1259 O VAL A 77 10.860 10.002 -4.707 1.00 0.00 O ATOM 1260 CB VAL A 77 9.265 7.454 -3.846 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.958 6.132 -3.164 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.232 8.504 -3.466 1.00 0.00 C ATOM 0 H VAL A 77 10.418 7.005 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 77 11.376 7.482 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 77 9.211 7.305 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.944 5.820 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.665 5.375 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.045 6.251 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.235 8.140 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.291 8.701 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.429 9.424 -4.016 1.00 0.00 H new ATOM 1272 N GLU A 78 10.740 10.106 -2.462 1.00 0.00 N ATOM 1273 CA GLU A 78 10.817 11.556 -2.418 1.00 0.00 C ATOM 1274 C GLU A 78 12.125 12.028 -3.025 1.00 0.00 C ATOM 1275 O GLU A 78 12.141 12.934 -3.858 1.00 0.00 O ATOM 1276 CB GLU A 78 10.701 12.056 -0.975 1.00 0.00 C ATOM 1277 CG GLU A 78 9.464 12.905 -0.709 1.00 0.00 C ATOM 1278 CD GLU A 78 8.260 12.477 -1.528 1.00 0.00 C ATOM 1279 OE1 GLU A 78 7.967 11.265 -1.567 1.00 0.00 O ATOM 1280 OE2 GLU A 78 7.609 13.358 -2.130 1.00 0.00 O ATOM 0 H GLU A 78 10.659 9.659 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 78 9.988 11.964 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.690 11.197 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.589 12.640 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.214 12.849 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.693 13.948 -0.928 1.00 0.00 H new ATOM 1287 N ILE A 79 13.225 11.428 -2.575 1.00 0.00 N ATOM 1288 CA ILE A 79 14.552 11.779 -3.085 1.00 0.00 C ATOM 1289 C ILE A 79 14.776 11.325 -4.533 1.00 0.00 C ATOM 1290 O ILE A 79 15.731 10.601 -4.819 1.00 0.00 O ATOM 1291 CB ILE A 79 15.670 11.190 -2.201 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.303 11.302 -0.720 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.990 11.896 -2.474 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.513 10.019 0.050 1.00 0.00 C ATOM 0 H ILE A 79 13.226 10.699 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 79 14.594 12.868 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 79 15.782 10.134 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.900 12.092 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.259 11.602 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.769 11.469 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.262 11.767 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.887 12.959 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.233 10.170 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.895 9.231 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.562 9.729 -0.005 1.00 0.00 H new ATOM 1306 N LYS A 80 13.873 11.723 -5.431 1.00 0.00 N ATOM 1307 CA LYS A 80 13.977 11.412 -6.859 1.00 0.00 C ATOM 1308 C LYS A 80 14.219 9.925 -7.125 1.00 0.00 C ATOM 1309 O LYS A 80 15.258 9.530 -7.653 1.00 0.00 O ATOM 1310 CB LYS A 80 15.053 12.277 -7.536 1.00 0.00 C ATOM 1311 CG LYS A 80 16.471 12.054 -7.030 1.00 0.00 C ATOM 1312 CD LYS A 80 17.500 12.667 -7.965 1.00 0.00 C ATOM 1313 CE LYS A 80 18.694 11.748 -8.160 1.00 0.00 C ATOM 1314 NZ LYS A 80 19.126 11.692 -9.583 1.00 0.00 N ATOM 0 H LYS A 80 13.047 12.271 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 80 13.011 11.654 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.032 12.083 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.795 13.327 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.576 12.489 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.659 10.985 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.038 12.874 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.837 13.622 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.523 12.094 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.439 10.745 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.943 11.054 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.344 11.338 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.394 12.645 -9.902 1.00 0.00 H new ATOM 1328 N GLN A 81 13.235 9.110 -6.757 1.00 0.00 N ATOM 1329 CA GLN A 81 13.308 7.670 -6.973 1.00 0.00 C ATOM 1330 C GLN A 81 12.120 7.207 -7.815 1.00 0.00 C ATOM 1331 O GLN A 81 12.258 6.953 -9.012 1.00 0.00 O ATOM 1332 CB GLN A 81 13.333 6.925 -5.638 1.00 0.00 C ATOM 1333 CG GLN A 81 14.661 6.244 -5.347 1.00 0.00 C ATOM 1334 CD GLN A 81 14.877 5.003 -6.191 1.00 0.00 C ATOM 1335 OE1 GLN A 81 15.093 5.090 -7.400 1.00 0.00 O ATOM 1336 NE2 GLN A 81 14.820 3.838 -5.557 1.00 0.00 N ATOM 0 H GLN A 81 12.375 9.424 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 81 14.231 7.445 -7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.111 7.628 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.541 6.176 -5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.473 6.948 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.703 5.973 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.638 3.812 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.958 2.969 -6.073 1.00 0.00 H new ATOM 1345 N LEU A 82 10.956 7.099 -7.182 1.00 0.00 N ATOM 1346 CA LEU A 82 9.742 6.685 -7.880 1.00 0.00 C ATOM 1347 C LEU A 82 8.553 7.549 -7.463 1.00 0.00 C ATOM 1348 O LEU A 82 7.576 7.054 -6.901 1.00 0.00 O ATOM 1349 CB LEU A 82 9.441 5.208 -7.612 1.00 0.00 C ATOM 1350 CG LEU A 82 9.748 4.721 -6.196 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.646 3.796 -5.704 1.00 0.00 C ATOM 1352 CD2 LEU A 82 11.095 4.014 -6.158 1.00 0.00 C ATOM 0 H LEU A 82 10.827 7.292 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 82 9.908 6.819 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.386 5.027 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.013 4.605 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 82 9.794 5.586 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.879 3.457 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.697 4.332 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.571 2.934 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.299 3.673 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.075 3.157 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.877 4.705 -6.473 1.00 0.00 H new ATOM 1364 N ASN A 83 8.647 8.845 -7.747 1.00 0.00 N ATOM 1365 CA ASN A 83 7.586 9.788 -7.407 1.00 0.00 C ATOM 1366 C ASN A 83 6.322 9.514 -8.218 1.00 0.00 C ATOM 1367 O ASN A 83 5.219 9.877 -7.804 1.00 0.00 O ATOM 1368 CB ASN A 83 8.058 11.223 -7.643 1.00 0.00 C ATOM 1369 CG ASN A 83 6.955 12.240 -7.423 1.00 0.00 C ATOM 1370 OD1 ASN A 83 6.265 12.213 -6.403 1.00 0.00 O ATOM 1371 ND2 ASN A 83 6.783 13.145 -8.380 1.00 0.00 N ATOM 0 H ASN A 83 9.450 9.267 -8.213 1.00 0.00 H new ATOM 0 HA ASN A 83 7.347 9.658 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.890 11.443 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.435 11.315 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.056 13.855 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.378 13.130 -9.209 1.00 0.00 H new ATOM 1378 N HIS A 84 6.486 8.880 -9.376 1.00 0.00 N ATOM 1379 CA HIS A 84 5.352 8.561 -10.238 1.00 0.00 C ATOM 1380 C HIS A 84 4.281 7.804 -9.458 1.00 0.00 C ATOM 1381 O HIS A 84 3.109 8.183 -9.469 1.00 0.00 O ATOM 1382 CB HIS A 84 5.804 7.738 -11.447 1.00 0.00 C ATOM 1383 CG HIS A 84 6.890 6.755 -11.136 1.00 0.00 C ATOM 1384 ND1 HIS A 84 6.640 5.459 -10.740 1.00 0.00 N ATOM 1385 CD2 HIS A 84 8.238 6.883 -11.170 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.787 4.832 -10.543 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.771 5.674 -10.797 1.00 0.00 N ATOM 0 H HIS A 84 7.390 8.578 -9.738 1.00 0.00 H new ATOM 0 HA HIS A 84 4.926 9.498 -10.597 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.946 7.201 -11.851 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.152 8.416 -12.227 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.791 7.771 -11.440 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.900 3.805 -10.228 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.766 5.461 -10.727 1.00 0.00 H new ATOM 1396 N PHE A 85 4.692 6.730 -8.788 1.00 0.00 N ATOM 1397 CA PHE A 85 3.772 5.925 -7.992 1.00 0.00 C ATOM 1398 C PHE A 85 2.989 6.806 -7.025 1.00 0.00 C ATOM 1399 O PHE A 85 1.781 6.641 -6.859 1.00 0.00 O ATOM 1400 CB PHE A 85 4.541 4.853 -7.212 1.00 0.00 C ATOM 1401 CG PHE A 85 3.683 3.709 -6.744 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.245 2.745 -7.638 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.317 3.595 -5.409 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.460 1.690 -7.212 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.530 2.540 -4.978 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.103 1.588 -5.882 1.00 0.00 C ATOM 0 H PHE A 85 5.656 6.398 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 85 3.071 5.437 -8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.340 4.462 -7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.015 5.317 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.520 2.819 -8.680 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.650 4.338 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.126 0.945 -7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.251 2.462 -3.938 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.490 0.764 -5.549 1.00 0.00 H new ATOM 1416 N TRP A 86 3.688 7.749 -6.397 1.00 0.00 N ATOM 1417 CA TRP A 86 3.066 8.655 -5.442 1.00 0.00 C ATOM 1418 C TRP A 86 1.981 9.495 -6.106 1.00 0.00 C ATOM 1419 O TRP A 86 0.923 9.727 -5.521 1.00 0.00 O ATOM 1420 CB TRP A 86 4.117 9.566 -4.810 1.00 0.00 C ATOM 1421 CG TRP A 86 3.556 10.439 -3.733 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.362 11.786 -3.790 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.110 10.021 -2.439 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.822 12.236 -2.608 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.659 11.170 -1.762 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.051 8.787 -1.787 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.154 11.119 -0.466 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.549 8.737 -0.500 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.106 9.896 0.148 1.00 0.00 C ATOM 0 H TRP A 86 4.687 7.903 -6.535 1.00 0.00 H new ATOM 0 HA TRP A 86 2.602 8.051 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.919 8.955 -4.395 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.561 10.192 -5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.598 12.410 -4.640 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.582 13.204 -2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.391 7.888 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.812 12.012 0.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.498 7.788 0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.718 9.824 1.153 1.00 0.00 H new ATOM 1440 N GLU A 87 2.249 9.956 -7.324 1.00 0.00 N ATOM 1441 CA GLU A 87 1.282 10.763 -8.058 1.00 0.00 C ATOM 1442 C GLU A 87 0.040 9.935 -8.362 1.00 0.00 C ATOM 1443 O GLU A 87 -1.086 10.431 -8.299 1.00 0.00 O ATOM 1444 CB GLU A 87 1.896 11.288 -9.357 1.00 0.00 C ATOM 1445 CG GLU A 87 2.795 12.498 -9.158 1.00 0.00 C ATOM 1446 CD GLU A 87 3.511 12.908 -10.430 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.557 12.302 -10.744 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.024 13.833 -11.114 1.00 0.00 O ATOM 0 H GLU A 87 3.123 9.785 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 87 1.000 11.616 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.472 10.490 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.095 11.550 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.197 13.335 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.532 12.276 -8.386 1.00 0.00 H new ATOM 1455 N ILE A 88 0.262 8.669 -8.692 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.828 7.747 -8.990 1.00 0.00 C ATOM 1457 C ILE A 88 -1.480 7.276 -7.696 1.00 0.00 C ATOM 1458 O ILE A 88 -2.608 6.781 -7.692 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.346 6.525 -9.796 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.674 6.947 -10.855 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.530 5.826 -10.449 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.713 5.888 -11.149 1.00 0.00 C ATOM 0 H ILE A 88 1.192 8.255 -8.760 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.554 8.286 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 88 0.138 5.828 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.147 7.194 -11.777 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.177 7.855 -10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.177 4.964 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.226 5.493 -9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.036 6.519 -11.121 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.403 6.256 -11.909 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.266 5.658 -10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.221 4.986 -11.512 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.749 7.445 -6.599 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.226 7.036 -5.284 1.00 0.00 C ATOM 1476 C VAL A 89 -2.156 8.099 -4.708 1.00 0.00 C ATOM 1477 O VAL A 89 -3.186 7.781 -4.113 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.053 6.784 -4.311 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.482 6.983 -2.864 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.509 5.385 -4.510 1.00 0.00 C ATOM 0 H VAL A 89 0.181 7.865 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.773 6.101 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 89 0.728 7.512 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.366 6.798 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.833 8.006 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.286 6.288 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.335 5.223 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.273 4.649 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.868 5.279 -5.534 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.794 9.363 -4.901 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.599 10.469 -4.405 1.00 0.00 C ATOM 1492 C VAL A 90 -3.814 10.683 -5.300 1.00 0.00 C ATOM 1493 O VAL A 90 -4.900 11.017 -4.826 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.780 11.776 -4.321 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.472 12.320 -5.708 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.513 12.812 -3.485 1.00 0.00 C ATOM 0 H VAL A 90 -0.949 9.645 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.929 10.208 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.831 11.550 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.895 13.240 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.896 11.583 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.405 12.527 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.921 13.726 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.479 13.029 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.665 12.425 -2.477 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.615 10.486 -6.600 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.690 10.638 -7.572 1.00 0.00 C ATOM 1508 C GLN A 91 -5.801 9.630 -7.305 1.00 0.00 C ATOM 1509 O GLN A 91 -6.979 9.986 -7.258 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.152 10.461 -8.994 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.699 11.760 -9.638 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.624 11.665 -11.150 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.647 11.632 -11.834 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -2.407 11.620 -11.680 1.00 0.00 N ATOM 0 H GLN A 91 -2.717 10.220 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.100 11.643 -7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.314 9.764 -8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.927 10.009 -9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.388 12.558 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.720 12.034 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.586 11.650 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.293 11.555 -12.692 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.418 8.366 -7.133 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.381 7.302 -6.867 1.00 0.00 C ATOM 1525 C ASP A 92 -7.157 7.565 -5.578 1.00 0.00 C ATOM 1526 O ASP A 92 -8.142 6.885 -5.288 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.665 5.954 -6.775 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.448 5.321 -8.136 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.938 6.016 -9.039 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -5.786 4.130 -8.296 1.00 0.00 O ATOM 0 H ASP A 92 -4.447 8.055 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.091 7.280 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.702 6.090 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.249 5.277 -6.151 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.710 8.553 -4.811 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.381 8.887 -3.568 1.00 0.00 C ATOM 1537 C GLY A 93 -6.845 8.112 -2.380 1.00 0.00 C ATOM 1538 O GLY A 93 -7.579 7.836 -1.431 1.00 0.00 O ATOM 0 H GLY A 93 -5.896 9.128 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.272 9.955 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.448 8.689 -3.673 1.00 0.00 H new ATOM 1542 N ILE A 94 -5.563 7.761 -2.428 1.00 0.00 N ATOM 1543 CA ILE A 94 -4.938 7.019 -1.338 1.00 0.00 C ATOM 1544 C ILE A 94 -4.293 7.972 -0.338 1.00 0.00 C ATOM 1545 O ILE A 94 -3.357 8.700 -0.668 1.00 0.00 O ATOM 1546 CB ILE A 94 -3.878 6.028 -1.853 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.426 5.226 -3.035 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -3.437 5.096 -0.733 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.353 4.536 -3.849 1.00 0.00 C ATOM 0 H ILE A 94 -4.940 7.977 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.728 6.452 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.010 6.593 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.125 4.477 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.991 5.894 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.688 4.401 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.010 5.682 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.297 4.537 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.815 3.987 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.667 5.281 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.803 3.842 -3.213 1.00 0.00 H new ATOM 1561 N THR A 95 -4.806 7.958 0.886 1.00 0.00 N ATOM 1562 CA THR A 95 -4.303 8.822 1.946 1.00 0.00 C ATOM 1563 C THR A 95 -3.225 8.123 2.777 1.00 0.00 C ATOM 1564 O THR A 95 -2.710 7.074 2.388 1.00 0.00 O ATOM 1565 CB THR A 95 -5.454 9.290 2.861 1.00 0.00 C ATOM 1566 OG1 THR A 95 -4.979 10.231 3.830 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.102 8.109 3.568 1.00 0.00 C ATOM 0 H THR A 95 -5.576 7.353 1.170 1.00 0.00 H new ATOM 0 HA THR A 95 -3.852 9.693 1.470 1.00 0.00 H new ATOM 0 HB THR A 95 -6.201 9.774 2.232 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.723 10.518 4.400 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.910 8.466 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.503 7.417 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.357 7.597 4.177 1.00 0.00 H new ATOM 1575 N LEU A 96 -2.893 8.713 3.921 1.00 0.00 N ATOM 1576 CA LEU A 96 -1.869 8.165 4.802 1.00 0.00 C ATOM 1577 C LEU A 96 -2.503 7.381 5.932 1.00 0.00 C ATOM 1578 O LEU A 96 -1.816 6.952 6.859 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.021 9.285 5.394 1.00 0.00 C ATOM 1580 CG LEU A 96 0.248 9.634 4.617 1.00 0.00 C ATOM 1581 CD1 LEU A 96 1.389 8.714 5.015 1.00 0.00 C ATOM 1582 CD2 LEU A 96 0.003 9.568 3.115 1.00 0.00 C ATOM 0 H LEU A 96 -3.321 9.575 4.260 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.238 7.502 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.637 10.181 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.739 9.005 6.409 1.00 0.00 H new ATOM 0 HG LEU A 96 0.528 10.657 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.283 8.979 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.588 8.821 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.116 7.681 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.921 9.821 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.308 8.560 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.780 10.276 2.843 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.825 7.245 5.857 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.594 6.524 6.860 1.00 0.00 C ATOM 1596 C ILE A 97 -4.922 7.454 8.025 1.00 0.00 C ATOM 1597 O ILE A 97 -4.026 8.026 8.647 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.846 5.259 7.356 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -4.527 4.005 6.814 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.753 5.219 8.879 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.938 3.518 5.504 1.00 0.00 C ATOM 0 H ILE A 97 -4.389 7.632 5.100 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.523 6.186 6.400 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.825 5.297 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.451 3.210 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.588 4.209 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.222 4.318 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.214 6.097 9.234 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.756 5.213 9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.469 2.624 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.038 4.297 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.883 3.282 5.645 1.00 0.00 H new ATOM 1613 N THR A 98 -6.212 7.629 8.292 1.00 0.00 N ATOM 1614 CA THR A 98 -6.654 8.501 9.373 1.00 0.00 C ATOM 1615 C THR A 98 -7.332 7.714 10.486 1.00 0.00 C ATOM 1616 O THR A 98 -7.921 6.661 10.246 1.00 0.00 O ATOM 1617 CB THR A 98 -7.627 9.579 8.860 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.318 9.914 7.502 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.552 10.828 9.725 1.00 0.00 C ATOM 0 H THR A 98 -6.968 7.179 7.776 1.00 0.00 H new ATOM 0 HA THR A 98 -5.760 8.981 9.770 1.00 0.00 H new ATOM 0 HB THR A 98 -8.639 9.178 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.943 10.599 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.247 11.576 9.345 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.816 10.576 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.538 11.228 9.699 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.225 8.232 11.706 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.826 7.601 12.878 1.00 0.00 C ATOM 1629 C LYS A 99 -9.244 7.110 12.593 1.00 0.00 C ATOM 1630 O LYS A 99 -9.549 5.930 12.767 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.844 8.587 14.049 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.042 10.035 13.627 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.692 10.852 14.731 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.683 11.755 15.424 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.323 12.977 15.984 1.00 0.00 N ATOM 0 H LYS A 99 -6.722 9.096 11.910 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.218 6.734 13.136 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.642 8.306 14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.906 8.503 14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.079 10.474 13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.662 10.073 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.496 11.457 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.145 10.182 15.462 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.192 11.203 16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.908 12.044 14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.602 13.565 16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.770 13.518 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.045 12.703 16.680 1.00 0.00 H new ATOM 1649 N GLU A 100 -10.109 8.021 12.157 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.498 7.682 11.859 1.00 0.00 C ATOM 1651 C GLU A 100 -11.593 6.662 10.727 1.00 0.00 C ATOM 1652 O GLU A 100 -12.562 5.906 10.643 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.283 8.942 11.493 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.540 9.138 12.324 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.305 10.389 11.939 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.656 11.418 11.657 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.553 10.339 11.918 1.00 0.00 O ATOM 0 H GLU A 100 -9.873 9.001 12.002 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.931 7.235 12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.637 9.811 11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.558 8.896 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.188 8.270 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.269 9.192 13.378 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.588 6.646 9.859 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.568 5.721 8.731 1.00 0.00 C ATOM 1666 C GLU A 101 -9.607 4.562 8.986 1.00 0.00 C ATOM 1667 O GLU A 101 -9.222 3.847 8.060 1.00 0.00 O ATOM 1668 CB GLU A 101 -10.168 6.456 7.451 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.787 5.870 6.193 1.00 0.00 C ATOM 1670 CD GLU A 101 -12.254 6.224 6.047 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -13.099 5.498 6.612 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -12.558 7.226 5.367 1.00 0.00 O ATOM 0 H GLU A 101 -9.777 7.262 9.914 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.572 5.314 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.461 7.502 7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.082 6.436 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.241 6.231 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.678 4.786 6.210 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.223 4.381 10.246 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.305 3.311 10.617 1.00 0.00 C ATOM 1681 C ALA A 102 -9.061 2.077 11.107 1.00 0.00 C ATOM 1682 O ALA A 102 -9.480 1.241 10.309 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.328 3.796 11.678 1.00 0.00 C ATOM 0 H ALA A 102 -9.533 4.961 11.026 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.743 3.026 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.649 2.986 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.754 4.637 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.880 4.113 12.563 1.00 0.00 H new ATOM 1689 N SER A 103 -9.235 1.973 12.422 1.00 0.00 N ATOM 1690 CA SER A 103 -9.937 0.838 13.012 1.00 0.00 C ATOM 1691 C SER A 103 -10.781 1.279 14.203 1.00 0.00 C ATOM 1692 O SER A 103 -11.667 0.552 14.652 1.00 0.00 O ATOM 1693 CB SER A 103 -8.937 -0.232 13.455 1.00 0.00 C ATOM 1694 OG SER A 103 -9.087 -1.417 12.692 1.00 0.00 O ATOM 0 H SER A 103 -8.900 2.660 13.098 1.00 0.00 H new ATOM 0 HA SER A 103 -10.599 0.419 12.254 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.921 0.148 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.083 -0.455 14.512 1.00 0.00 H new ATOM 0 HG SER A 103 -8.712 -1.280 11.797 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.499 2.474 14.710 1.00 0.00 N ATOM 1701 CA GLY A 104 -11.236 2.992 15.846 1.00 0.00 C ATOM 1702 C GLY A 104 -10.684 4.315 16.339 1.00 0.00 C ATOM 1703 O GLY A 104 -10.307 4.440 17.504 1.00 0.00 O ATOM 0 H GLY A 104 -9.772 3.094 14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.283 3.119 15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.207 2.264 16.657 1.00 0.00 H new ATOM 1707 N SER A 105 -10.641 5.302 15.449 1.00 0.00 N ATOM 1708 CA SER A 105 -10.135 6.626 15.792 1.00 0.00 C ATOM 1709 C SER A 105 -8.744 6.545 16.419 1.00 0.00 C ATOM 1710 O SER A 105 -8.461 7.220 17.410 1.00 0.00 O ATOM 1711 CB SER A 105 -11.099 7.328 16.751 1.00 0.00 C ATOM 1712 OG SER A 105 -12.313 7.661 16.099 1.00 0.00 O ATOM 0 H SER A 105 -10.952 5.209 14.482 1.00 0.00 H new ATOM 0 HA SER A 105 -10.059 7.203 14.870 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.306 6.680 17.603 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.633 8.232 17.143 1.00 0.00 H new ATOM 0 HG SER A 105 -12.913 8.107 16.733 1.00 0.00 H new ATOM 1718 N SER A 106 -7.877 5.719 15.838 1.00 0.00 N ATOM 1719 CA SER A 106 -6.519 5.560 16.353 1.00 0.00 C ATOM 1720 C SER A 106 -5.468 5.852 15.281 1.00 0.00 C ATOM 1721 O SER A 106 -5.029 4.947 14.575 1.00 0.00 O ATOM 1722 CB SER A 106 -6.325 4.141 16.894 1.00 0.00 C ATOM 1723 OG SER A 106 -6.581 4.087 18.286 1.00 0.00 O ATOM 0 H SER A 106 -8.088 5.153 15.016 1.00 0.00 H new ATOM 0 HA SER A 106 -6.386 6.282 17.159 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.992 3.455 16.372 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.306 3.809 16.695 1.00 0.00 H new ATOM 0 HG SER A 106 -6.452 3.170 18.607 1.00 0.00 H new ATOM 1729 N VAL A 107 -5.068 7.124 15.182 1.00 0.00 N ATOM 1730 CA VAL A 107 -4.055 7.569 14.221 1.00 0.00 C ATOM 1731 C VAL A 107 -3.995 9.094 14.197 1.00 0.00 C ATOM 1732 O VAL A 107 -5.025 9.764 14.255 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.314 7.036 12.785 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -4.148 8.135 11.739 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.378 5.876 12.476 1.00 0.00 C ATOM 0 H VAL A 107 -5.438 7.874 15.766 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.101 7.158 14.552 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.346 6.687 12.743 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.337 7.725 10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.856 8.939 11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.132 8.528 11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.570 5.512 11.467 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.344 6.213 12.549 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.548 5.071 13.191 1.00 0.00 H new ATOM 1745 N THR A 108 -2.786 9.638 14.116 1.00 0.00 N ATOM 1746 CA THR A 108 -2.605 11.084 14.090 1.00 0.00 C ATOM 1747 C THR A 108 -3.100 11.679 12.776 1.00 0.00 C ATOM 1748 O THR A 108 -3.066 11.024 11.734 1.00 0.00 O ATOM 1749 CB THR A 108 -1.128 11.467 14.291 1.00 0.00 C ATOM 1750 OG1 THR A 108 -0.363 10.305 14.636 1.00 0.00 O ATOM 1751 CG2 THR A 108 -0.985 12.516 15.382 1.00 0.00 C ATOM 0 H THR A 108 -1.920 9.102 14.067 1.00 0.00 H new ATOM 0 HA THR A 108 -3.194 11.491 14.912 1.00 0.00 H new ATOM 0 HB THR A 108 -0.753 11.884 13.356 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.576 10.557 14.761 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.068 12.771 15.506 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.544 13.409 15.103 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.376 12.121 16.320 1.00 0.00 H new ATOM 1759 N ALA A 109 -3.559 12.927 12.832 1.00 0.00 N ATOM 1760 CA ALA A 109 -4.057 13.613 11.646 1.00 0.00 C ATOM 1761 C ALA A 109 -2.902 14.177 10.826 1.00 0.00 C ATOM 1762 O ALA A 109 -2.855 14.014 9.610 1.00 0.00 O ATOM 1763 CB ALA A 109 -5.020 14.722 12.042 1.00 0.00 C ATOM 0 H ALA A 109 -3.596 13.482 13.687 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.593 12.891 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.384 15.225 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.863 14.295 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.505 15.441 12.678 1.00 0.00 H new ATOM 1769 N GLU A 110 -1.993 14.869 11.509 1.00 0.00 N ATOM 1770 CA GLU A 110 -0.817 15.458 10.867 1.00 0.00 C ATOM 1771 C GLU A 110 -0.179 14.511 9.847 1.00 0.00 C ATOM 1772 O GLU A 110 0.534 14.954 8.949 1.00 0.00 O ATOM 1773 CB GLU A 110 0.218 15.847 11.925 1.00 0.00 C ATOM 1774 CG GLU A 110 -0.091 17.161 12.623 1.00 0.00 C ATOM 1775 CD GLU A 110 -0.317 16.990 14.112 1.00 0.00 C ATOM 1776 OE1 GLU A 110 0.619 16.543 14.808 1.00 0.00 O ATOM 1777 OE2 GLU A 110 -1.431 17.303 14.584 1.00 0.00 O ATOM 0 H GLU A 110 -2.048 15.037 12.514 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.152 16.345 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.279 15.054 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.198 15.917 11.454 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.733 17.857 12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.978 17.607 12.173 1.00 0.00 H new ATOM 1784 N GLU A 111 -0.436 13.212 9.982 1.00 0.00 N ATOM 1785 CA GLU A 111 0.108 12.225 9.061 1.00 0.00 C ATOM 1786 C GLU A 111 -0.636 12.296 7.731 1.00 0.00 C ATOM 1787 O GLU A 111 -0.034 12.433 6.665 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.031 10.820 9.665 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.081 9.710 8.634 1.00 0.00 C ATOM 1790 CD GLU A 111 0.207 8.346 9.231 1.00 0.00 C ATOM 1791 OE1 GLU A 111 1.387 8.065 9.527 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -0.748 7.560 9.402 1.00 0.00 O ATOM 0 H GLU A 111 -1.019 12.821 10.722 1.00 0.00 H new ATOM 0 HA GLU A 111 1.164 12.436 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.807 10.640 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.938 10.783 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.066 9.697 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.643 9.918 7.846 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.954 12.218 7.825 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.815 12.257 6.652 1.00 0.00 C ATOM 1801 C ALA A 112 -3.004 13.680 6.132 1.00 0.00 C ATOM 1802 O ALA A 112 -3.383 13.883 4.980 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.164 11.628 6.970 1.00 0.00 C ATOM 0 H ALA A 112 -2.455 12.127 8.709 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.326 11.683 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.799 11.663 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.020 10.591 7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.640 12.179 7.781 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.738 14.661 6.986 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.900 16.062 6.615 1.00 0.00 C ATOM 1811 C LYS A 113 -1.640 16.649 5.978 1.00 0.00 C ATOM 1812 O LYS A 113 -1.711 17.286 4.927 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.288 16.887 7.843 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.787 16.946 8.088 1.00 0.00 C ATOM 1815 CD LYS A 113 -5.146 18.031 9.089 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.638 18.049 9.380 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.993 19.070 10.405 1.00 0.00 N ATOM 0 H LYS A 113 -2.409 14.513 7.940 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.693 16.106 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.801 16.465 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.908 17.901 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.303 17.133 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.135 15.981 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.595 17.869 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.838 19.002 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.185 18.254 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.952 17.064 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.019 19.050 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.491 18.861 11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.717 20.013 10.065 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.491 16.433 6.614 1.00 0.00 N ATOM 1832 CA LYS A 114 0.770 16.984 6.117 1.00 0.00 C ATOM 1833 C LYS A 114 1.274 16.277 4.860 1.00 0.00 C ATOM 1834 O LYS A 114 2.086 16.832 4.118 1.00 0.00 O ATOM 1835 CB LYS A 114 1.839 16.917 7.208 1.00 0.00 C ATOM 1836 CG LYS A 114 2.668 18.182 7.322 1.00 0.00 C ATOM 1837 CD LYS A 114 3.908 18.117 6.444 1.00 0.00 C ATOM 1838 CE LYS A 114 5.033 18.973 7.002 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.355 18.617 8.412 1.00 0.00 N ATOM 0 H LYS A 114 -0.406 15.884 7.469 1.00 0.00 H new ATOM 0 HA LYS A 114 0.574 18.021 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.357 16.720 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.501 16.075 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.063 19.042 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.964 18.332 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.243 17.083 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.660 18.452 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.923 18.851 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.750 20.024 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.385 18.524 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.006 19.363 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.899 17.715 8.655 1.00 0.00 H new ATOM 1853 N PHE A 115 0.801 15.062 4.616 1.00 0.00 N ATOM 1854 CA PHE A 115 1.238 14.304 3.447 1.00 0.00 C ATOM 1855 C PHE A 115 0.458 14.693 2.194 1.00 0.00 C ATOM 1856 O PHE A 115 1.045 14.932 1.139 1.00 0.00 O ATOM 1857 CB PHE A 115 1.074 12.810 3.700 1.00 0.00 C ATOM 1858 CG PHE A 115 2.318 12.131 4.199 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.759 12.326 5.498 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.031 11.277 3.375 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.891 11.684 5.964 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.160 10.629 3.836 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.591 10.833 5.131 1.00 0.00 C ATOM 0 H PHE A 115 0.121 14.582 5.205 1.00 0.00 H new ATOM 0 HA PHE A 115 2.289 14.540 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.276 12.661 4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.757 12.329 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.212 12.987 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.700 11.116 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.227 11.847 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.705 9.963 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.474 10.328 5.493 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.864 14.753 2.314 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.717 15.105 1.182 1.00 0.00 C ATOM 1875 C LEU A 116 -1.791 16.618 0.998 1.00 0.00 C ATOM 1876 O LEU A 116 -2.874 17.205 1.022 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.121 14.527 1.377 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.247 13.022 1.127 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.319 12.267 2.444 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.471 12.723 0.272 1.00 0.00 C ATOM 0 H LEU A 116 -1.368 14.563 3.180 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.278 14.676 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.445 14.738 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.807 15.049 0.710 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.361 12.688 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.408 11.199 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.414 12.455 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.187 12.605 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.544 11.648 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.367 13.072 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.379 13.234 -0.686 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.632 17.243 0.815 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.562 18.686 0.622 1.00 0.00 C ATOM 1894 C ALA A 117 -0.110 19.024 -0.799 1.00 0.00 C ATOM 1895 O ALA A 117 0.560 18.221 -1.448 1.00 0.00 O ATOM 1896 CB ALA A 117 0.384 19.307 1.640 1.00 0.00 C ATOM 0 H ALA A 117 0.272 16.771 0.796 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.559 19.100 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.428 20.385 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.022 19.099 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.380 18.882 1.517 1.00 0.00 H new