USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= 0.531 K(o=1.1,f=-0.11) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.56 K(o=1.1,f=0) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 173:sc= 0.312! (180deg=-1.29!) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 1.13 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.254 (180deg=-1.55!) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 2.48 (180deg=0.68) USER MOD Single : A 23 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 27 TYR OH : rot 78:sc= -1.24 USER MOD Single : A 29 CYS SG : rot -19:sc= 0.093 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 2.19 (180deg=1.8) USER MOD Single : A 37 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 1.01 (180deg=-0.139) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 56 SER OG : rot -88:sc= 1.27 USER MOD Single : A 57 CYS SG : rot 21:sc= -1.83! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00413 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 0.719 (180deg=0.423) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= 0.402 (180deg=-1.1!) USER MOD Single : A 71 TYR OH : rot 165:sc= -0.0112 USER MOD Single : A 73 GLN : amide:sc= -1.61! C(o=-1.6!,f=-6.6!) USER MOD Single : A 75 ASN : amide:sc= 0.634 K(o=0.63,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.24) USER MOD Single : A 81 THR OG1 : rot 55:sc= 0.0607 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.707! C(o=-0.71!,f=-13!) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 2.96 (180deg=2.95) USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.972 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 1.51 (180deg=0.244!) USER MOD Single : A 108 ASN : amide:sc= -0.0697 X(o=-0.07,f=-0.0027) USER MOD Single : A 110 LYS NZ :NH3+ 178:sc= 0.0384 (180deg=0.0116) USER MOD Single : A 113 HIS : no HD1:sc= 0.166 K(o=0.17,f=-6.1!) USER MOD Single : A 115 LYS NZ :NH3+ 172:sc= 2.57 (180deg=2.19) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -18.088 -1.202 8.667 1.00 0.00 N ATOM 32 CA ASP A 12 -18.463 -2.351 7.802 1.00 0.00 C ATOM 33 C ASP A 12 -17.947 -2.138 6.372 1.00 0.00 C ATOM 34 O ASP A 12 -17.496 -3.062 5.697 1.00 0.00 O ATOM 35 CB ASP A 12 -19.990 -2.556 7.791 1.00 0.00 C ATOM 36 CG ASP A 12 -20.391 -3.887 7.172 1.00 0.00 C ATOM 37 OD1 ASP A 12 -20.476 -4.005 5.920 1.00 0.00 O ATOM 38 OD2 ASP A 12 -20.578 -4.879 7.923 1.00 0.00 O1- ATOM 0 HA ASP A 12 -17.999 -3.248 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.368 -2.504 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.459 -1.744 7.236 1.00 0.00 H new ATOM 43 N LEU A 13 -17.935 -0.887 5.973 1.00 0.00 N ATOM 44 CA LEU A 13 -17.491 -0.452 4.652 1.00 0.00 C ATOM 45 C LEU A 13 -15.989 -0.345 4.609 1.00 0.00 C ATOM 46 O LEU A 13 -15.446 -0.116 3.577 1.00 0.00 O ATOM 47 CB LEU A 13 -18.099 0.917 4.207 1.00 0.00 C ATOM 48 CG LEU A 13 -19.642 1.092 4.188 1.00 0.00 C ATOM 49 CD1 LEU A 13 -20.252 1.085 5.588 1.00 0.00 C ATOM 50 CD2 LEU A 13 -20.011 2.379 3.467 1.00 0.00 C ATOM 0 H LEU A 13 -18.240 -0.117 6.568 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.847 -1.213 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.690 1.686 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.733 1.127 3.202 1.00 0.00 H new ATOM 0 HG LEU A 13 -20.055 0.236 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -21.332 1.211 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -20.029 0.137 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -19.830 1.903 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -21.095 2.493 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -19.561 3.227 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.642 2.340 2.442 1.00 0.00 H new ATOM 62 N THR A 14 -15.340 -0.404 5.745 1.00 0.00 N ATOM 63 CA THR A 14 -13.912 -0.237 5.784 1.00 0.00 C ATOM 64 C THR A 14 -13.144 -1.569 5.644 1.00 0.00 C ATOM 65 O THR A 14 -12.018 -1.579 5.138 1.00 0.00 O ATOM 66 CB THR A 14 -13.457 0.543 7.018 1.00 0.00 C ATOM 67 OG1 THR A 14 -14.285 1.701 7.158 1.00 0.00 O ATOM 68 CG2 THR A 14 -12.053 1.017 6.798 1.00 0.00 C ATOM 0 H THR A 14 -15.778 -0.566 6.652 1.00 0.00 H new ATOM 0 HA THR A 14 -13.660 0.359 4.907 1.00 0.00 H new ATOM 0 HB THR A 14 -13.520 -0.093 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.005 2.210 7.947 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.716 1.575 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.399 0.159 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.020 1.662 5.920 1.00 0.00 H new ATOM 76 N GLU A 15 -13.764 -2.681 6.074 1.00 0.00 N ATOM 77 CA GLU A 15 -13.177 -4.067 6.008 1.00 0.00 C ATOM 78 C GLU A 15 -12.569 -4.370 4.612 1.00 0.00 C ATOM 79 O GLU A 15 -11.635 -5.158 4.454 1.00 0.00 O ATOM 80 CB GLU A 15 -14.282 -5.085 6.285 1.00 0.00 C ATOM 81 CG GLU A 15 -15.024 -4.866 7.595 1.00 0.00 C ATOM 82 CD GLU A 15 -14.122 -4.964 8.797 1.00 0.00 C ATOM 83 OE1 GLU A 15 -13.561 -3.930 9.202 1.00 0.00 O ATOM 84 OE2 GLU A 15 -13.979 -6.077 9.326 1.00 0.00 O1- ATOM 0 H GLU A 15 -14.697 -2.663 6.485 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.382 -4.131 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.000 -5.056 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.846 -6.084 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.497 -3.884 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.822 -5.603 7.684 1.00 0.00 H new ATOM 91 N VAL A 16 -13.134 -3.717 3.631 1.00 0.00 N ATOM 92 CA VAL A 16 -12.739 -3.761 2.231 1.00 0.00 C ATOM 93 C VAL A 16 -11.286 -3.344 1.979 1.00 0.00 C ATOM 94 O VAL A 16 -10.704 -3.723 0.975 1.00 0.00 O ATOM 95 CB VAL A 16 -13.633 -2.878 1.392 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.057 -3.376 1.416 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.556 -1.525 1.941 1.00 0.00 C ATOM 0 H VAL A 16 -13.931 -3.100 3.788 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.839 -4.808 1.945 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.304 -2.890 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.681 -2.724 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.094 -4.390 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.426 -3.374 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.191 -0.859 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.894 -1.533 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.525 -1.173 1.898 1.00 0.00 H new ATOM 107 N LYS A 17 -10.757 -2.511 2.878 1.00 0.00 N ATOM 108 CA LYS A 17 -9.476 -1.814 2.759 1.00 0.00 C ATOM 109 C LYS A 17 -8.355 -2.647 2.118 1.00 0.00 C ATOM 110 O LYS A 17 -7.672 -2.145 1.237 1.00 0.00 O ATOM 111 CB LYS A 17 -9.047 -1.276 4.131 1.00 0.00 C ATOM 112 CG LYS A 17 -7.923 -0.248 4.103 1.00 0.00 C ATOM 113 CD LYS A 17 -7.599 0.226 5.511 1.00 0.00 C ATOM 114 CE LYS A 17 -6.544 1.325 5.523 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.141 1.671 6.908 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.235 -2.294 3.752 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.641 -0.987 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.915 -0.828 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.734 -2.116 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.035 -0.684 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.214 0.601 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.508 0.593 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.248 -0.618 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.670 0.999 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.934 2.212 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.226 2.165 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.860 2.290 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.054 0.801 7.472 1.00 0.00 H new ATOM 129 N LYS A 18 -8.208 -3.929 2.488 1.00 0.00 N ATOM 130 CA LYS A 18 -7.105 -4.733 1.928 1.00 0.00 C ATOM 131 C LYS A 18 -7.305 -4.996 0.431 1.00 0.00 C ATOM 132 O LYS A 18 -6.352 -5.284 -0.279 1.00 0.00 O ATOM 133 CB LYS A 18 -6.910 -6.098 2.616 1.00 0.00 C ATOM 134 CG LYS A 18 -7.974 -7.135 2.251 1.00 0.00 C ATOM 135 CD LYS A 18 -7.398 -8.556 2.145 1.00 0.00 C ATOM 136 CE LYS A 18 -6.308 -8.696 1.037 1.00 0.00 C ATOM 137 NZ LYS A 18 -6.753 -8.231 -0.308 1.00 0.00 N1+ ATOM 0 H LYS A 18 -8.813 -4.419 3.147 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.216 -4.127 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.928 -6.490 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.914 -5.953 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.763 -7.121 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.434 -6.861 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.969 -8.840 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.208 -9.255 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.426 -8.128 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.006 -9.741 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.187 -8.701 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.757 -8.466 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.626 -7.201 -0.379 1.00 0.00 H new ATOM 151 N ASP A 19 -8.537 -4.946 -0.029 1.00 0.00 N ATOM 152 CA ASP A 19 -8.839 -5.213 -1.426 1.00 0.00 C ATOM 153 C ASP A 19 -8.699 -3.945 -2.222 1.00 0.00 C ATOM 154 O ASP A 19 -8.350 -3.970 -3.407 1.00 0.00 O ATOM 155 CB ASP A 19 -10.216 -5.877 -1.624 1.00 0.00 C ATOM 156 CG ASP A 19 -10.292 -7.277 -1.011 1.00 0.00 C ATOM 157 OD1 ASP A 19 -9.256 -7.992 -1.002 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -11.368 -7.660 -0.496 1.00 0.00 O ATOM 0 H ASP A 19 -9.351 -4.722 0.544 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.116 -5.940 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.986 -5.247 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.434 -5.940 -2.690 1.00 0.00 H new ATOM 163 N ALA A 20 -8.932 -2.815 -1.561 1.00 0.00 N ATOM 164 CA ALA A 20 -8.639 -1.522 -2.162 1.00 0.00 C ATOM 165 C ALA A 20 -7.143 -1.455 -2.345 1.00 0.00 C ATOM 166 O ALA A 20 -6.648 -1.172 -3.430 1.00 0.00 O ATOM 167 CB ALA A 20 -9.090 -0.373 -1.267 1.00 0.00 C ATOM 0 H ALA A 20 -9.319 -2.770 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.172 -1.425 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.855 0.577 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.165 -0.440 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.572 -0.433 -0.310 1.00 0.00 H new ATOM 173 N LEU A 21 -6.433 -1.811 -1.271 1.00 0.00 N ATOM 174 CA LEU A 21 -4.981 -1.846 -1.244 1.00 0.00 C ATOM 175 C LEU A 21 -4.427 -2.842 -2.272 1.00 0.00 C ATOM 176 O LEU A 21 -3.369 -2.634 -2.816 1.00 0.00 O ATOM 177 CB LEU A 21 -4.476 -2.199 0.169 1.00 0.00 C ATOM 178 CG LEU A 21 -4.850 -1.213 1.295 1.00 0.00 C ATOM 179 CD1 LEU A 21 -4.398 -1.733 2.652 1.00 0.00 C ATOM 180 CD2 LEU A 21 -4.270 0.172 1.034 1.00 0.00 C ATOM 0 H LEU A 21 -6.863 -2.085 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.619 -0.853 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.862 -3.183 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.390 -2.281 0.133 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.937 -1.128 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.675 -1.018 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.879 -2.690 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.316 -1.864 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.552 0.843 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.183 0.107 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.660 0.558 0.092 1.00 0.00 H new ATOM 192 N GLU A 22 -5.187 -3.890 -2.559 1.00 0.00 N ATOM 193 CA GLU A 22 -4.769 -4.928 -3.505 1.00 0.00 C ATOM 194 C GLU A 22 -4.704 -4.347 -4.929 1.00 0.00 C ATOM 195 O GLU A 22 -3.751 -4.565 -5.663 1.00 0.00 O ATOM 196 CB GLU A 22 -5.767 -6.083 -3.473 1.00 0.00 C ATOM 197 CG GLU A 22 -5.185 -7.414 -3.888 1.00 0.00 C ATOM 198 CD GLU A 22 -4.177 -7.892 -2.877 1.00 0.00 C ATOM 199 OE1 GLU A 22 -4.603 -8.418 -1.822 1.00 0.00 O ATOM 200 OE2 GLU A 22 -2.969 -7.714 -3.087 1.00 0.00 O1- ATOM 0 H GLU A 22 -6.107 -4.049 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.781 -5.291 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.169 -6.173 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.604 -5.844 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.983 -8.150 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.711 -7.321 -4.865 1.00 0.00 H new ATOM 207 N ASN A 23 -5.720 -3.580 -5.294 1.00 0.00 N ATOM 208 CA ASN A 23 -5.761 -2.930 -6.618 1.00 0.00 C ATOM 209 C ASN A 23 -4.790 -1.766 -6.644 1.00 0.00 C ATOM 210 O ASN A 23 -4.159 -1.456 -7.663 1.00 0.00 O ATOM 211 CB ASN A 23 -7.181 -2.441 -6.967 1.00 0.00 C ATOM 212 CG ASN A 23 -8.162 -3.570 -7.247 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.297 -4.014 -8.373 1.00 0.00 O ATOM 214 ND2 ASN A 23 -8.857 -4.041 -6.235 1.00 0.00 N ATOM 0 H ASN A 23 -6.529 -3.386 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.472 -3.668 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.561 -1.837 -6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.128 -1.792 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.527 -4.795 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.726 -3.652 -5.301 1.00 0.00 H new ATOM 221 N LEU A 24 -4.666 -1.146 -5.499 1.00 0.00 N ATOM 222 CA LEU A 24 -3.771 -0.038 -5.261 1.00 0.00 C ATOM 223 C LEU A 24 -2.328 -0.468 -5.454 1.00 0.00 C ATOM 224 O LEU A 24 -1.541 0.250 -6.037 1.00 0.00 O ATOM 225 CB LEU A 24 -4.066 0.475 -3.858 1.00 0.00 C ATOM 226 CG LEU A 24 -3.238 1.596 -3.279 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.113 2.396 -2.369 1.00 0.00 C ATOM 228 CD2 LEU A 24 -2.072 1.034 -2.486 1.00 0.00 C ATOM 0 H LEU A 24 -5.205 -1.408 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.926 0.771 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.107 0.798 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.985 -0.373 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.844 2.218 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.537 3.214 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.952 2.802 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.489 1.756 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.483 1.854 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.450 0.414 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.444 0.430 -3.141 1.00 0.00 H new ATOM 240 N ARG A 25 -2.035 -1.671 -5.011 1.00 0.00 N ATOM 241 CA ARG A 25 -0.740 -2.341 -5.160 1.00 0.00 C ATOM 242 C ARG A 25 -0.279 -2.313 -6.635 1.00 0.00 C ATOM 243 O ARG A 25 0.913 -2.267 -6.926 1.00 0.00 O ATOM 244 CB ARG A 25 -0.944 -3.779 -4.663 1.00 0.00 C ATOM 245 CG ARG A 25 0.201 -4.755 -4.791 1.00 0.00 C ATOM 246 CD ARG A 25 -0.265 -6.111 -4.269 1.00 0.00 C ATOM 247 NE ARG A 25 0.730 -7.172 -4.424 1.00 0.00 N ATOM 248 CZ ARG A 25 0.557 -8.438 -4.014 1.00 0.00 C ATOM 249 NH1 ARG A 25 -0.603 -8.827 -3.467 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 1.532 -9.319 -4.190 1.00 0.00 N ATOM 0 H ARG A 25 -2.717 -2.244 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 25 0.040 -1.840 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.221 -3.730 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.797 -4.197 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.516 -4.836 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.063 -4.405 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.521 -6.016 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.176 -6.399 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 25 1.614 -6.934 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.365 -8.158 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.723 -9.792 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.404 -9.032 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.410 -10.284 -3.882 1.00 0.00 H new ATOM 264 N VAL A 26 -1.245 -2.327 -7.539 1.00 0.00 N ATOM 265 CA VAL A 26 -0.982 -2.266 -8.956 1.00 0.00 C ATOM 266 C VAL A 26 -0.966 -0.803 -9.467 1.00 0.00 C ATOM 267 O VAL A 26 0.046 -0.334 -9.991 1.00 0.00 O ATOM 268 CB VAL A 26 -2.030 -3.088 -9.759 1.00 0.00 C ATOM 269 CG1 VAL A 26 -1.711 -3.083 -11.252 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.113 -4.518 -9.235 1.00 0.00 C ATOM 0 H VAL A 26 -2.236 -2.381 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 26 0.005 -2.701 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.001 -2.612 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.461 -3.666 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.717 -2.058 -11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.727 -3.522 -11.415 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.852 -5.074 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.140 -4.999 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.407 -4.504 -8.185 1.00 0.00 H new ATOM 280 N TYR A 27 -2.079 -0.072 -9.265 1.00 0.00 N ATOM 281 CA TYR A 27 -2.241 1.277 -9.862 1.00 0.00 C ATOM 282 C TYR A 27 -1.320 2.341 -9.286 1.00 0.00 C ATOM 283 O TYR A 27 -1.165 3.419 -9.872 1.00 0.00 O ATOM 284 CB TYR A 27 -3.718 1.798 -9.861 1.00 0.00 C ATOM 285 CG TYR A 27 -4.391 2.127 -8.497 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.815 3.016 -7.563 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.625 1.574 -8.173 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.444 3.314 -6.375 1.00 0.00 C ATOM 289 CE2 TYR A 27 -6.263 1.887 -6.983 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.664 2.753 -6.089 1.00 0.00 C ATOM 291 OH TYR A 27 -6.292 3.068 -4.912 1.00 0.00 O ATOM 0 H TYR A 27 -2.871 -0.383 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.939 1.114 -10.897 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.751 2.700 -10.473 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.333 1.050 -10.362 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.861 3.472 -7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.095 0.888 -8.862 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.979 3.987 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.226 1.455 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.709 3.952 -4.990 1.00 0.00 H new ATOM 301 N LEU A 28 -0.783 2.093 -8.133 1.00 0.00 N ATOM 302 CA LEU A 28 -0.015 3.097 -7.450 1.00 0.00 C ATOM 303 C LEU A 28 1.444 3.094 -7.914 1.00 0.00 C ATOM 304 O LEU A 28 2.141 4.088 -7.748 1.00 0.00 O ATOM 305 CB LEU A 28 -0.072 2.841 -5.945 1.00 0.00 C ATOM 306 CG LEU A 28 -0.344 4.018 -5.014 1.00 0.00 C ATOM 307 CD1 LEU A 28 0.017 3.649 -3.607 1.00 0.00 C ATOM 308 CD2 LEU A 28 0.365 5.273 -5.450 1.00 0.00 C ATOM 0 H LEU A 28 -0.860 1.203 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.443 4.072 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.843 2.092 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.878 2.397 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.410 4.239 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.180 4.494 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.581 2.794 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.075 3.390 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.138 6.080 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.441 5.097 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.030 5.551 -6.449 1.00 0.00 H new ATOM 320 N CYS A 29 1.869 2.020 -8.549 1.00 0.00 N ATOM 321 CA CYS A 29 3.282 1.804 -8.882 1.00 0.00 C ATOM 322 C CYS A 29 3.936 2.929 -9.729 1.00 0.00 C ATOM 323 O CYS A 29 5.155 3.109 -9.680 1.00 0.00 O ATOM 324 CB CYS A 29 3.478 0.437 -9.541 1.00 0.00 C ATOM 325 SG CYS A 29 5.189 0.086 -9.997 1.00 0.00 S ATOM 0 H CYS A 29 1.253 1.266 -8.853 1.00 0.00 H new ATOM 0 HA CYS A 29 3.808 1.832 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.127 -0.338 -8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.855 0.382 -10.434 1.00 0.00 H new ATOM 0 HG CYS A 29 5.861 1.198 -10.051 1.00 0.00 H new ATOM 331 N GLU A 30 3.151 3.665 -10.500 1.00 0.00 N ATOM 332 CA GLU A 30 3.713 4.752 -11.311 1.00 0.00 C ATOM 333 C GLU A 30 3.774 6.050 -10.503 1.00 0.00 C ATOM 334 O GLU A 30 4.426 7.007 -10.900 1.00 0.00 O ATOM 335 CB GLU A 30 2.887 5.043 -12.593 1.00 0.00 C ATOM 336 CG GLU A 30 2.445 3.842 -13.421 1.00 0.00 C ATOM 337 CD GLU A 30 1.268 3.136 -12.804 1.00 0.00 C ATOM 338 OE1 GLU A 30 0.158 3.650 -12.912 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 1.461 2.095 -12.157 1.00 0.00 O ATOM 0 H GLU A 30 2.142 3.540 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 30 4.709 4.416 -11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.996 5.600 -12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.477 5.698 -13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.184 4.171 -14.427 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.276 3.144 -13.520 1.00 0.00 H new ATOM 346 N LYS A 31 3.085 6.086 -9.381 1.00 0.00 N ATOM 347 CA LYS A 31 2.965 7.325 -8.636 1.00 0.00 C ATOM 348 C LYS A 31 3.798 7.311 -7.365 1.00 0.00 C ATOM 349 O LYS A 31 4.303 8.360 -6.945 1.00 0.00 O ATOM 350 CB LYS A 31 1.489 7.649 -8.272 1.00 0.00 C ATOM 351 CG LYS A 31 0.497 7.803 -9.446 1.00 0.00 C ATOM 352 CD LYS A 31 0.108 6.463 -10.076 1.00 0.00 C ATOM 353 CE LYS A 31 -0.915 6.643 -11.191 1.00 0.00 C ATOM 354 NZ LYS A 31 -1.352 5.344 -11.760 1.00 0.00 N1+ ATOM 0 H LYS A 31 2.606 5.286 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 31 3.344 8.103 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.120 6.859 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.477 8.573 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.402 8.307 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.941 8.442 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.998 5.975 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.301 5.805 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.782 7.179 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.485 7.259 -11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.164 5.497 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.570 4.920 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.629 4.703 -10.989 1.00 0.00 H new ATOM 368 N ILE A 32 3.969 6.144 -6.776 1.00 0.00 N ATOM 369 CA ILE A 32 4.703 6.014 -5.522 1.00 0.00 C ATOM 370 C ILE A 32 6.072 5.434 -5.770 1.00 0.00 C ATOM 371 O ILE A 32 6.218 4.448 -6.497 1.00 0.00 O ATOM 372 CB ILE A 32 3.940 5.105 -4.477 1.00 0.00 C ATOM 373 CG1 ILE A 32 4.729 4.966 -3.154 1.00 0.00 C ATOM 374 CG2 ILE A 32 3.654 3.712 -5.047 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.014 4.126 -2.111 1.00 0.00 C ATOM 0 H ILE A 32 3.609 5.264 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 32 4.792 7.017 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 32 2.993 5.603 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.701 4.520 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.915 5.959 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.129 3.115 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.035 3.804 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.594 3.225 -5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.623 4.070 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.053 4.582 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.851 3.122 -2.502 1.00 0.00 H new ATOM 387 N ILE A 33 7.092 6.054 -5.241 1.00 0.00 N ATOM 388 CA ILE A 33 8.350 5.403 -5.297 1.00 0.00 C ATOM 389 C ILE A 33 8.745 4.994 -3.897 1.00 0.00 C ATOM 390 O ILE A 33 8.838 5.813 -2.984 1.00 0.00 O ATOM 391 CB ILE A 33 9.473 6.269 -5.965 1.00 0.00 C ATOM 392 CG1 ILE A 33 9.620 7.645 -5.277 1.00 0.00 C ATOM 393 CG2 ILE A 33 9.208 6.429 -7.461 1.00 0.00 C ATOM 394 CD1 ILE A 33 10.759 8.493 -5.811 1.00 0.00 C ATOM 0 H ILE A 33 7.073 6.968 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 33 8.243 4.526 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 33 10.419 5.742 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.687 8.197 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.769 7.490 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.998 7.033 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.190 5.447 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.247 6.921 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.790 9.441 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.702 7.965 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.604 8.683 -6.873 1.00 0.00 H new ATOM 406 N ALA A 34 8.984 3.740 -3.733 1.00 0.00 N ATOM 407 CA ALA A 34 9.470 3.219 -2.483 1.00 0.00 C ATOM 408 C ALA A 34 10.945 3.360 -2.417 1.00 0.00 C ATOM 409 O ALA A 34 11.510 3.721 -1.399 1.00 0.00 O ATOM 410 CB ALA A 34 9.090 1.801 -2.345 1.00 0.00 C ATOM 0 H ALA A 34 8.851 3.036 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 34 9.023 3.784 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.462 1.415 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.004 1.711 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.522 1.227 -3.165 1.00 0.00 H new ATOM 416 N GLU A 35 11.515 3.119 -3.581 1.00 0.00 N ATOM 417 CA GLU A 35 12.928 3.030 -3.887 1.00 0.00 C ATOM 418 C GLU A 35 13.807 3.965 -3.028 1.00 0.00 C ATOM 419 O GLU A 35 14.649 3.517 -2.267 1.00 0.00 O ATOM 420 CB GLU A 35 13.059 3.364 -5.382 1.00 0.00 C ATOM 421 CG GLU A 35 14.468 3.291 -5.957 1.00 0.00 C ATOM 422 CD GLU A 35 14.537 3.805 -7.386 1.00 0.00 C ATOM 423 OE1 GLU A 35 14.331 3.019 -8.320 1.00 0.00 O ATOM 424 OE2 GLU A 35 14.803 5.015 -7.586 1.00 0.00 O1- ATOM 0 H GLU A 35 10.946 2.966 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 35 13.292 2.029 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.422 2.682 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.672 4.370 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.144 3.874 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.817 2.259 -5.928 1.00 0.00 H new ATOM 431 N ARG A 36 13.544 5.243 -3.110 1.00 0.00 N ATOM 432 CA ARG A 36 14.377 6.237 -2.451 1.00 0.00 C ATOM 433 C ARG A 36 13.906 6.560 -1.033 1.00 0.00 C ATOM 434 O ARG A 36 14.591 7.222 -0.281 1.00 0.00 O ATOM 435 CB ARG A 36 14.458 7.464 -3.339 1.00 0.00 C ATOM 436 CG ARG A 36 14.939 7.063 -4.714 1.00 0.00 C ATOM 437 CD ARG A 36 14.879 8.163 -5.720 1.00 0.00 C ATOM 438 NE ARG A 36 14.990 7.583 -7.055 1.00 0.00 N ATOM 439 CZ ARG A 36 15.054 8.211 -8.208 1.00 0.00 C ATOM 440 NH1 ARG A 36 15.128 9.549 -8.265 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 15.051 7.481 -9.316 1.00 0.00 N ATOM 0 H ARG A 36 12.756 5.630 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 36 15.379 5.829 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.480 7.940 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.138 8.196 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.967 6.708 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.338 6.226 -5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.943 8.713 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.686 8.876 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 36 15.022 6.564 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.135 10.096 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.177 10.019 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.000 6.464 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.100 7.937 -10.227 1.00 0.00 H new ATOM 455 N HIS A 37 12.718 6.110 -0.687 1.00 0.00 N ATOM 456 CA HIS A 37 12.173 6.343 0.652 1.00 0.00 C ATOM 457 C HIS A 37 12.521 5.196 1.602 1.00 0.00 C ATOM 458 O HIS A 37 12.310 5.312 2.811 1.00 0.00 O ATOM 459 CB HIS A 37 10.640 6.556 0.638 1.00 0.00 C ATOM 460 CG HIS A 37 10.169 7.837 -0.002 1.00 0.00 C ATOM 461 ND1 HIS A 37 9.768 8.943 0.718 1.00 0.00 N ATOM 462 CD2 HIS A 37 9.992 8.166 -1.297 1.00 0.00 C ATOM 463 CE1 HIS A 37 9.367 9.883 -0.116 1.00 0.00 C ATOM 464 NE2 HIS A 37 9.491 9.437 -1.339 1.00 0.00 N ATOM 0 H HIS A 37 12.105 5.581 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 37 12.638 7.261 1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.179 5.718 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.277 6.529 1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.207 7.538 -2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.998 10.858 0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.253 9.953 -2.186 1.00 0.00 H new ATOM 473 N PHE A 38 13.062 4.107 1.037 1.00 0.00 N ATOM 474 CA PHE A 38 13.343 2.848 1.759 1.00 0.00 C ATOM 475 C PHE A 38 14.106 3.024 3.076 1.00 0.00 C ATOM 476 O PHE A 38 13.742 2.393 4.079 1.00 0.00 O ATOM 477 CB PHE A 38 14.045 1.823 0.848 1.00 0.00 C ATOM 478 CG PHE A 38 14.472 0.562 1.568 1.00 0.00 C ATOM 479 CD1 PHE A 38 13.530 -0.310 2.106 1.00 0.00 C ATOM 480 CD2 PHE A 38 15.818 0.268 1.734 1.00 0.00 C ATOM 481 CE1 PHE A 38 13.926 -1.441 2.784 1.00 0.00 C ATOM 482 CE2 PHE A 38 16.217 -0.864 2.415 1.00 0.00 C ATOM 483 CZ PHE A 38 15.271 -1.720 2.939 1.00 0.00 C ATOM 0 H PHE A 38 13.322 4.071 0.051 1.00 0.00 H new ATOM 0 HA PHE A 38 12.364 2.462 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 38 13.374 1.555 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 38 14.922 2.289 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.477 -0.097 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 38 16.563 0.934 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.185 -2.111 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.268 -1.079 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.581 -2.608 3.470 1.00 0.00 H new ATOM 493 N ASP A 39 15.137 3.871 3.082 1.00 0.00 N ATOM 494 CA ASP A 39 15.929 4.115 4.306 1.00 0.00 C ATOM 495 C ASP A 39 15.038 4.476 5.470 1.00 0.00 C ATOM 496 O ASP A 39 15.003 3.780 6.489 1.00 0.00 O ATOM 497 CB ASP A 39 16.973 5.230 4.120 1.00 0.00 C ATOM 498 CG ASP A 39 17.585 5.658 5.465 1.00 0.00 C ATOM 499 OD1 ASP A 39 18.511 4.962 5.959 1.00 0.00 O ATOM 500 OD2 ASP A 39 17.093 6.644 6.051 1.00 0.00 O1- ATOM 0 H ASP A 39 15.447 4.398 2.266 1.00 0.00 H new ATOM 0 HA ASP A 39 16.452 3.182 4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.763 4.883 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.506 6.091 3.641 1.00 0.00 H new ATOM 505 N HIS A 40 14.258 5.491 5.276 1.00 0.00 N ATOM 506 CA HIS A 40 13.435 6.013 6.318 1.00 0.00 C ATOM 507 C HIS A 40 12.175 5.163 6.506 1.00 0.00 C ATOM 508 O HIS A 40 11.480 5.300 7.494 1.00 0.00 O ATOM 509 CB HIS A 40 13.093 7.479 6.072 1.00 0.00 C ATOM 510 CG HIS A 40 12.809 8.228 7.339 1.00 0.00 C ATOM 511 ND1 HIS A 40 11.553 8.328 7.910 1.00 0.00 N ATOM 512 CD2 HIS A 40 13.644 8.911 8.159 1.00 0.00 C ATOM 513 CE1 HIS A 40 11.629 9.039 9.019 1.00 0.00 C ATOM 514 NE2 HIS A 40 12.885 9.404 9.195 1.00 0.00 N ATOM 0 H HIS A 40 14.174 5.983 4.386 1.00 0.00 H new ATOM 0 HA HIS A 40 14.003 5.964 7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.921 7.958 5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.224 7.540 5.416 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.707 9.044 8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.803 9.281 9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 40 13.236 9.962 9.974 1.00 0.00 H new ATOM 523 N LEU A 41 11.859 4.339 5.522 1.00 0.00 N ATOM 524 CA LEU A 41 10.680 3.466 5.558 1.00 0.00 C ATOM 525 C LEU A 41 10.865 2.349 6.621 1.00 0.00 C ATOM 526 O LEU A 41 9.894 1.794 7.162 1.00 0.00 O ATOM 527 CB LEU A 41 10.406 2.931 4.143 1.00 0.00 C ATOM 528 CG LEU A 41 9.071 2.235 3.896 1.00 0.00 C ATOM 529 CD1 LEU A 41 8.605 2.542 2.493 1.00 0.00 C ATOM 530 CD2 LEU A 41 9.200 0.734 4.057 1.00 0.00 C ATOM 0 H LEU A 41 12.410 4.250 4.668 1.00 0.00 H new ATOM 0 HA LEU A 41 9.797 4.026 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.483 3.767 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.202 2.231 3.889 1.00 0.00 H new ATOM 0 HG LEU A 41 8.350 2.601 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.651 2.047 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.483 3.619 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.344 2.182 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.233 0.264 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.929 0.353 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.531 0.504 5.070 1.00 0.00 H new ATOM 542 N ARG A 42 12.133 2.113 6.981 1.00 0.00 N ATOM 543 CA ARG A 42 12.560 1.212 8.091 1.00 0.00 C ATOM 544 C ARG A 42 12.115 1.766 9.439 1.00 0.00 C ATOM 545 O ARG A 42 12.426 1.216 10.490 1.00 0.00 O ATOM 546 CB ARG A 42 14.074 1.044 8.048 1.00 0.00 C ATOM 547 CG ARG A 42 14.551 0.189 6.896 1.00 0.00 C ATOM 548 CD ARG A 42 15.932 0.605 6.430 1.00 0.00 C ATOM 549 NE ARG A 42 16.960 0.637 7.501 1.00 0.00 N ATOM 550 CZ ARG A 42 17.823 1.674 7.665 1.00 0.00 C ATOM 551 NH1 ARG A 42 17.542 2.834 7.120 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 18.886 1.563 8.459 1.00 0.00 N ATOM 0 H ARG A 42 12.922 2.549 6.503 1.00 0.00 H new ATOM 0 HA ARG A 42 12.088 0.238 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.539 2.027 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.409 0.599 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.569 -0.857 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.847 0.268 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.260 -0.081 5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.866 1.594 5.977 1.00 0.00 H new ATOM 0 HE ARG A 42 17.021 -0.154 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.684 2.950 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.182 3.620 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.063 0.690 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.524 2.351 8.571 1.00 0.00 H new ATOM 566 N ALA A 43 11.449 2.885 9.400 1.00 0.00 N ATOM 567 CA ALA A 43 10.812 3.450 10.544 1.00 0.00 C ATOM 568 C ALA A 43 9.703 2.515 11.008 1.00 0.00 C ATOM 569 O ALA A 43 9.689 2.082 12.163 1.00 0.00 O ATOM 570 CB ALA A 43 10.200 4.787 10.161 1.00 0.00 C ATOM 0 H ALA A 43 11.334 3.438 8.551 1.00 0.00 H new ATOM 0 HA ALA A 43 11.541 3.589 11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.711 5.226 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.983 5.458 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.466 4.638 9.369 1.00 0.00 H new ATOM 576 N LYS A 44 8.858 2.117 10.056 1.00 0.00 N ATOM 577 CA LYS A 44 7.623 1.401 10.365 1.00 0.00 C ATOM 578 C LYS A 44 7.799 -0.103 10.449 1.00 0.00 C ATOM 579 O LYS A 44 7.000 -0.767 11.088 1.00 0.00 O ATOM 580 CB LYS A 44 6.581 1.750 9.320 1.00 0.00 C ATOM 581 CG LYS A 44 6.288 3.253 9.262 1.00 0.00 C ATOM 582 CD LYS A 44 5.261 3.597 8.207 1.00 0.00 C ATOM 583 CE LYS A 44 4.866 5.059 8.273 1.00 0.00 C ATOM 584 NZ LYS A 44 3.850 5.395 7.254 1.00 0.00 N1+ ATOM 0 H LYS A 44 9.009 2.280 9.061 1.00 0.00 H new ATOM 0 HA LYS A 44 7.301 1.719 11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.924 1.412 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.659 1.211 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.932 3.589 10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.212 3.793 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.663 3.372 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.377 2.974 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.476 5.287 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.749 5.682 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.517 6.369 7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.269 5.314 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.047 4.738 7.334 1.00 0.00 H new ATOM 598 N LYS A 45 8.857 -0.618 9.809 1.00 0.00 N ATOM 599 CA LYS A 45 9.245 -2.045 9.895 1.00 0.00 C ATOM 600 C LYS A 45 8.074 -3.021 9.697 1.00 0.00 C ATOM 601 O LYS A 45 7.616 -3.664 10.646 1.00 0.00 O ATOM 602 CB LYS A 45 9.987 -2.328 11.178 1.00 0.00 C ATOM 603 CG LYS A 45 11.105 -1.351 11.419 1.00 0.00 C ATOM 604 CD LYS A 45 11.809 -1.670 12.715 1.00 0.00 C ATOM 605 CE LYS A 45 12.765 -0.561 13.119 1.00 0.00 C ATOM 606 NZ LYS A 45 12.074 0.759 13.190 1.00 0.00 N1+ ATOM 0 H LYS A 45 9.473 -0.063 9.215 1.00 0.00 H new ATOM 0 HA LYS A 45 9.918 -2.223 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.289 -2.291 12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.392 -3.339 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.815 -1.389 10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.709 -0.336 11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.071 -1.820 13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.359 -2.605 12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.206 -0.795 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.584 -0.506 12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.568 1.373 13.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.080 1.205 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.091 0.620 13.501 1.00 0.00 H new ATOM 620 N ILE A 46 7.513 -2.993 8.495 1.00 0.00 N ATOM 621 CA ILE A 46 6.379 -3.843 8.106 1.00 0.00 C ATOM 622 C ILE A 46 6.586 -5.278 8.540 1.00 0.00 C ATOM 623 O ILE A 46 5.810 -5.823 9.335 1.00 0.00 O ATOM 624 CB ILE A 46 6.142 -3.903 6.582 1.00 0.00 C ATOM 625 CG1 ILE A 46 7.247 -3.234 5.709 1.00 0.00 C ATOM 626 CG2 ILE A 46 4.761 -3.473 6.211 1.00 0.00 C ATOM 627 CD1 ILE A 46 7.310 -1.724 5.699 1.00 0.00 C ATOM 0 H ILE A 46 7.831 -2.374 7.749 1.00 0.00 H new ATOM 0 HA ILE A 46 5.524 -3.380 8.600 1.00 0.00 H new ATOM 0 HB ILE A 46 6.229 -4.960 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.214 -3.609 6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.114 -3.572 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.640 -3.531 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.034 -4.127 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.599 -2.446 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.124 -1.398 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.367 -1.323 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.484 -1.360 6.712 1.00 0.00 H new ATOM 639 N LEU A 47 7.602 -5.862 8.000 1.00 0.00 N ATOM 640 CA LEU A 47 8.003 -7.191 8.308 1.00 0.00 C ATOM 641 C LEU A 47 9.475 -7.204 8.754 1.00 0.00 C ATOM 642 O LEU A 47 9.987 -6.156 9.176 1.00 0.00 O ATOM 643 CB LEU A 47 7.639 -8.253 7.197 1.00 0.00 C ATOM 644 CG LEU A 47 7.766 -7.943 5.669 1.00 0.00 C ATOM 645 CD1 LEU A 47 6.434 -7.521 5.101 1.00 0.00 C ATOM 646 CD2 LEU A 47 8.801 -6.885 5.351 1.00 0.00 C ATOM 0 H LEU A 47 8.197 -5.409 7.306 1.00 0.00 H new ATOM 0 HA LEU A 47 7.406 -7.532 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.255 -9.131 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.604 -8.546 7.372 1.00 0.00 H new ATOM 0 HG LEU A 47 8.100 -8.871 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.543 -7.310 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.709 -8.323 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.087 -6.625 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.835 -6.721 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.535 -5.954 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.779 -7.217 5.698 1.00 0.00 H new ATOM 658 N SER A 48 10.151 -8.314 8.627 1.00 0.00 N ATOM 659 CA SER A 48 11.454 -8.485 9.222 1.00 0.00 C ATOM 660 C SER A 48 12.621 -7.977 8.322 1.00 0.00 C ATOM 661 O SER A 48 12.410 -7.340 7.277 1.00 0.00 O ATOM 662 CB SER A 48 11.634 -9.957 9.603 1.00 0.00 C ATOM 663 OG SER A 48 10.563 -10.389 10.428 1.00 0.00 O ATOM 0 H SER A 48 9.816 -9.126 8.109 1.00 0.00 H new ATOM 0 HA SER A 48 11.499 -7.862 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.678 -10.570 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.581 -10.091 10.126 1.00 0.00 H new ATOM 0 HG SER A 48 10.690 -11.332 10.662 1.00 0.00 H new ATOM 669 N ARG A 49 13.844 -8.279 8.765 1.00 0.00 N ATOM 670 CA ARG A 49 15.098 -7.808 8.171 1.00 0.00 C ATOM 671 C ARG A 49 15.305 -8.152 6.665 1.00 0.00 C ATOM 672 O ARG A 49 15.406 -7.256 5.834 1.00 0.00 O ATOM 673 CB ARG A 49 16.289 -8.333 8.997 1.00 0.00 C ATOM 674 CG ARG A 49 17.619 -8.070 8.352 1.00 0.00 C ATOM 675 CD ARG A 49 18.749 -8.760 9.065 1.00 0.00 C ATOM 676 NE ARG A 49 19.758 -9.160 8.080 1.00 0.00 N ATOM 677 CZ ARG A 49 20.959 -9.698 8.300 1.00 0.00 C ATOM 678 NH1 ARG A 49 21.500 -9.696 9.527 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 21.616 -10.237 7.266 1.00 0.00 N ATOM 0 H ARG A 49 13.994 -8.879 9.576 1.00 0.00 H new ATOM 0 HA ARG A 49 15.037 -6.720 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.272 -7.868 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.172 -9.406 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.589 -8.405 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.805 -6.996 8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.190 -8.094 9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 49 18.379 -9.634 9.601 1.00 0.00 H new ATOM 0 HE ARG A 49 19.511 -9.008 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.992 -9.279 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.419 -10.111 9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.197 -10.230 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.536 -10.655 7.408 1.00 0.00 H new ATOM 693 N GLU A 50 15.378 -9.429 6.318 1.00 0.00 N ATOM 694 CA GLU A 50 15.768 -9.783 4.945 1.00 0.00 C ATOM 695 C GLU A 50 14.587 -9.752 3.998 1.00 0.00 C ATOM 696 O GLU A 50 14.736 -9.737 2.784 1.00 0.00 O ATOM 697 CB GLU A 50 16.527 -11.114 4.881 1.00 0.00 C ATOM 698 CG GLU A 50 17.799 -11.153 5.744 1.00 0.00 C ATOM 699 CD GLU A 50 18.863 -10.099 5.385 1.00 0.00 C ATOM 700 OE1 GLU A 50 18.613 -8.879 5.569 1.00 0.00 O ATOM 701 OE2 GLU A 50 19.997 -10.458 5.088 1.00 0.00 O1- ATOM 0 H GLU A 50 15.182 -10.217 6.936 1.00 0.00 H new ATOM 0 HA GLU A 50 16.464 -9.015 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.860 -11.916 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.798 -11.316 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.516 -11.020 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.247 -12.143 5.659 1.00 0.00 H new ATOM 708 N ASP A 51 13.434 -9.732 4.556 1.00 0.00 N ATOM 709 CA ASP A 51 12.211 -9.601 3.824 1.00 0.00 C ATOM 710 C ASP A 51 11.906 -8.129 3.494 1.00 0.00 C ATOM 711 O ASP A 51 11.185 -7.833 2.552 1.00 0.00 O ATOM 712 CB ASP A 51 11.058 -10.379 4.504 1.00 0.00 C ATOM 713 CG ASP A 51 11.057 -10.283 6.022 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.129 -10.540 6.657 1.00 0.00 O ATOM 715 OD2 ASP A 51 10.016 -10.001 6.601 1.00 0.00 O1- ATOM 0 H ASP A 51 13.301 -9.808 5.564 1.00 0.00 H new ATOM 0 HA ASP A 51 12.328 -10.080 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.107 -10.003 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.123 -11.428 4.217 1.00 0.00 H new ATOM 720 N THR A 52 12.511 -7.193 4.239 1.00 0.00 N ATOM 721 CA THR A 52 12.496 -5.784 3.819 1.00 0.00 C ATOM 722 C THR A 52 13.640 -5.542 2.833 1.00 0.00 C ATOM 723 O THR A 52 13.708 -4.526 2.187 1.00 0.00 O ATOM 724 CB THR A 52 12.577 -4.745 4.997 1.00 0.00 C ATOM 725 OG1 THR A 52 13.401 -5.216 6.062 1.00 0.00 O ATOM 726 CG2 THR A 52 11.202 -4.307 5.521 1.00 0.00 C ATOM 0 H THR A 52 13.004 -7.377 5.112 1.00 0.00 H new ATOM 0 HA THR A 52 11.526 -5.617 3.352 1.00 0.00 H new ATOM 0 HB THR A 52 13.042 -3.857 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.867 -5.772 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.333 -3.591 6.332 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.636 -3.842 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.659 -5.177 5.890 1.00 0.00 H new ATOM 734 N ARG A 53 14.533 -6.513 2.727 1.00 0.00 N ATOM 735 CA ARG A 53 15.678 -6.430 1.839 1.00 0.00 C ATOM 736 C ARG A 53 15.255 -6.598 0.384 1.00 0.00 C ATOM 737 O ARG A 53 15.856 -6.002 -0.507 1.00 0.00 O ATOM 738 CB ARG A 53 16.658 -7.530 2.161 1.00 0.00 C ATOM 739 CG ARG A 53 17.999 -7.365 1.502 1.00 0.00 C ATOM 740 CD ARG A 53 18.818 -6.314 2.207 1.00 0.00 C ATOM 741 NE ARG A 53 19.048 -6.698 3.603 1.00 0.00 N ATOM 742 CZ ARG A 53 19.632 -5.966 4.532 1.00 0.00 C ATOM 743 NH1 ARG A 53 20.089 -4.738 4.252 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 19.755 -6.469 5.744 1.00 0.00 N ATOM 0 H ARG A 53 14.483 -7.383 3.257 1.00 0.00 H new ATOM 0 HA ARG A 53 16.133 -5.450 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.798 -7.573 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.230 -8.485 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.533 -8.315 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.864 -7.086 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.772 -6.184 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.302 -5.354 2.167 1.00 0.00 H new ATOM 0 HE ARG A 53 18.724 -7.624 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.987 -4.358 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.539 -4.183 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.402 -7.405 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.203 -5.923 6.480 1.00 0.00 H new ATOM 758 N GLU A 54 14.202 -7.390 0.164 1.00 0.00 N ATOM 759 CA GLU A 54 13.738 -7.790 -1.183 1.00 0.00 C ATOM 760 C GLU A 54 13.585 -6.603 -2.164 1.00 0.00 C ATOM 761 O GLU A 54 14.002 -6.694 -3.315 1.00 0.00 O ATOM 762 CB GLU A 54 12.433 -8.569 -1.090 1.00 0.00 C ATOM 763 CG GLU A 54 11.961 -9.091 -2.429 1.00 0.00 C ATOM 764 CD GLU A 54 10.603 -9.707 -2.370 1.00 0.00 C ATOM 765 OE1 GLU A 54 9.662 -9.023 -1.939 1.00 0.00 O ATOM 766 OE2 GLU A 54 10.412 -10.818 -2.878 1.00 0.00 O1- ATOM 0 H GLU A 54 13.637 -7.780 0.918 1.00 0.00 H new ATOM 0 HA GLU A 54 14.519 -8.430 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.564 -9.407 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.662 -7.927 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.951 -8.272 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.673 -9.830 -2.796 1.00 0.00 H new ATOM 773 N ILE A 55 13.045 -5.488 -1.673 1.00 0.00 N ATOM 774 CA ILE A 55 12.829 -4.237 -2.454 1.00 0.00 C ATOM 775 C ILE A 55 14.111 -3.718 -3.197 1.00 0.00 C ATOM 776 O ILE A 55 14.028 -2.925 -4.141 1.00 0.00 O ATOM 777 CB ILE A 55 12.073 -3.140 -1.612 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.118 -1.723 -2.219 1.00 0.00 C ATOM 779 CG2 ILE A 55 12.474 -3.153 -0.171 1.00 0.00 C ATOM 780 CD1 ILE A 55 11.429 -0.675 -1.364 1.00 0.00 C ATOM 0 H ILE A 55 12.734 -5.412 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 55 12.156 -4.499 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 55 11.023 -3.429 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.158 -1.433 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.649 -1.743 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.926 -2.379 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.245 -4.127 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.544 -2.962 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.500 0.297 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.380 -0.942 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.912 -0.627 -0.388 1.00 0.00 H new ATOM 792 N SER A 56 15.292 -4.216 -2.787 1.00 0.00 N ATOM 793 CA SER A 56 16.592 -3.932 -3.446 1.00 0.00 C ATOM 794 C SER A 56 16.634 -4.397 -4.953 1.00 0.00 C ATOM 795 O SER A 56 17.674 -4.253 -5.626 1.00 0.00 O ATOM 796 CB SER A 56 17.762 -4.525 -2.643 1.00 0.00 C ATOM 797 OG SER A 56 17.621 -5.922 -2.468 1.00 0.00 O ATOM 0 H SER A 56 15.378 -4.834 -1.980 1.00 0.00 H new ATOM 0 HA SER A 56 16.702 -2.848 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.700 -4.315 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.818 -4.040 -1.669 1.00 0.00 H new ATOM 0 HG SER A 56 17.093 -6.099 -1.662 1.00 0.00 H new ATOM 803 N CYS A 57 15.489 -4.941 -5.412 1.00 0.00 N ATOM 804 CA CYS A 57 15.088 -5.423 -6.774 1.00 0.00 C ATOM 805 C CYS A 57 15.736 -4.771 -8.018 1.00 0.00 C ATOM 806 O CYS A 57 15.670 -5.376 -9.043 1.00 0.00 O ATOM 807 CB CYS A 57 13.566 -5.367 -6.936 1.00 0.00 C ATOM 808 SG CYS A 57 12.642 -6.478 -5.864 1.00 0.00 S ATOM 0 H CYS A 57 14.715 -5.075 -4.761 1.00 0.00 H new ATOM 0 HA CYS A 57 15.488 -6.437 -6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.234 -4.346 -6.748 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.318 -5.597 -7.972 1.00 0.00 H new ATOM 0 HG CYS A 57 13.381 -6.815 -4.849 1.00 0.00 H new ATOM 814 N ARG A 58 16.430 -3.626 -7.851 1.00 0.00 N ATOM 815 CA ARG A 58 16.892 -2.530 -8.828 1.00 0.00 C ATOM 816 C ARG A 58 16.982 -2.788 -10.389 1.00 0.00 C ATOM 817 O ARG A 58 17.560 -1.971 -11.114 1.00 0.00 O ATOM 818 CB ARG A 58 18.224 -1.996 -8.321 1.00 0.00 C ATOM 819 CG ARG A 58 18.119 -1.250 -6.997 1.00 0.00 C ATOM 820 CD ARG A 58 19.465 -1.179 -6.302 1.00 0.00 C ATOM 821 NE ARG A 58 19.919 -2.527 -5.889 1.00 0.00 N ATOM 822 CZ ARG A 58 21.161 -2.854 -5.494 1.00 0.00 C ATOM 823 NH1 ARG A 58 22.126 -1.925 -5.451 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 21.431 -4.117 -5.138 1.00 0.00 N ATOM 0 H ARG A 58 16.738 -3.384 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 58 16.053 -1.834 -8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 58 18.919 -2.828 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 58 18.648 -1.329 -9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.743 -0.242 -7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.398 -1.750 -6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 58 20.201 -0.732 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.394 -0.531 -5.428 1.00 0.00 H new ATOM 0 HE ARG A 58 19.226 -3.275 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 58 21.920 -0.963 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 58 23.067 -2.180 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.696 -4.824 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.372 -4.372 -4.837 1.00 0.00 H new ATOM 838 N THR A 59 16.443 -3.858 -10.859 1.00 0.00 N ATOM 839 CA THR A 59 16.129 -4.103 -12.268 1.00 0.00 C ATOM 840 C THR A 59 15.109 -2.996 -12.734 1.00 0.00 C ATOM 841 O THR A 59 14.838 -2.067 -11.974 1.00 0.00 O ATOM 842 CB THR A 59 15.475 -5.515 -12.434 1.00 0.00 C ATOM 843 OG1 THR A 59 15.327 -5.835 -13.831 1.00 0.00 O ATOM 844 CG2 THR A 59 14.092 -5.561 -11.760 1.00 0.00 C ATOM 0 H THR A 59 16.187 -4.642 -10.259 1.00 0.00 H new ATOM 0 HA THR A 59 17.039 -4.068 -12.867 1.00 0.00 H new ATOM 0 HB THR A 59 16.129 -6.244 -11.957 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.918 -6.721 -13.922 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.657 -6.552 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.198 -5.347 -10.697 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.440 -4.817 -12.217 1.00 0.00 H new ATOM 852 N SER A 60 14.617 -3.076 -13.978 1.00 0.00 N ATOM 853 CA SER A 60 13.644 -2.106 -14.545 1.00 0.00 C ATOM 854 C SER A 60 12.636 -1.591 -13.470 1.00 0.00 C ATOM 855 O SER A 60 11.996 -2.386 -12.740 1.00 0.00 O ATOM 856 CB SER A 60 12.890 -2.756 -15.717 1.00 0.00 C ATOM 857 OG SER A 60 11.985 -1.846 -16.328 1.00 0.00 O ATOM 0 H SER A 60 14.878 -3.816 -14.630 1.00 0.00 H new ATOM 0 HA SER A 60 14.203 -1.241 -14.902 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.606 -3.111 -16.459 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.343 -3.628 -15.359 1.00 0.00 H new ATOM 0 HG SER A 60 11.524 -2.291 -17.070 1.00 0.00 H new ATOM 863 N SER A 61 12.513 -0.265 -13.407 1.00 0.00 N ATOM 864 CA SER A 61 11.781 0.475 -12.384 1.00 0.00 C ATOM 865 C SER A 61 10.327 0.033 -12.160 1.00 0.00 C ATOM 866 O SER A 61 9.764 0.311 -11.094 1.00 0.00 O ATOM 867 CB SER A 61 11.852 1.953 -12.722 1.00 0.00 C ATOM 868 OG SER A 61 13.209 2.328 -12.930 1.00 0.00 O ATOM 0 H SER A 61 12.941 0.349 -14.100 1.00 0.00 H new ATOM 0 HA SER A 61 12.268 0.256 -11.433 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.265 2.161 -13.617 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.420 2.543 -11.913 1.00 0.00 H new ATOM 0 HG SER A 61 13.255 3.282 -13.150 1.00 0.00 H new ATOM 874 N ARG A 62 9.742 -0.677 -13.124 1.00 0.00 N ATOM 875 CA ARG A 62 8.363 -1.115 -13.002 1.00 0.00 C ATOM 876 C ARG A 62 8.187 -2.048 -11.801 1.00 0.00 C ATOM 877 O ARG A 62 7.229 -1.935 -11.067 1.00 0.00 O ATOM 878 CB ARG A 62 7.853 -1.783 -14.297 1.00 0.00 C ATOM 879 CG ARG A 62 6.359 -2.142 -14.265 1.00 0.00 C ATOM 880 CD ARG A 62 5.510 -0.892 -14.044 1.00 0.00 C ATOM 881 NE ARG A 62 4.066 -1.160 -13.952 1.00 0.00 N ATOM 882 CZ ARG A 62 3.190 -0.302 -13.385 1.00 0.00 C ATOM 883 NH1 ARG A 62 3.628 0.798 -12.820 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 1.881 -0.555 -13.360 1.00 0.00 N ATOM 0 H ARG A 62 10.202 -0.957 -13.990 1.00 0.00 H new ATOM 0 HA ARG A 62 7.757 -0.225 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.038 -1.113 -15.137 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.431 -2.689 -14.479 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.074 -2.620 -15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.170 -2.862 -13.469 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.837 -0.400 -13.128 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.689 -0.194 -14.862 1.00 0.00 H new ATOM 0 HE ARG A 62 3.709 -2.036 -14.335 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.627 1.003 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.969 1.448 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.519 -1.414 -13.776 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.241 0.110 -12.925 1.00 0.00 H new ATOM 898 N LYS A 63 9.095 -2.975 -11.613 1.00 0.00 N ATOM 899 CA LYS A 63 8.983 -3.838 -10.463 1.00 0.00 C ATOM 900 C LYS A 63 9.520 -3.224 -9.186 1.00 0.00 C ATOM 901 O LYS A 63 9.033 -3.541 -8.138 1.00 0.00 O ATOM 902 CB LYS A 63 9.512 -5.261 -10.683 1.00 0.00 C ATOM 903 CG LYS A 63 8.398 -6.326 -10.749 1.00 0.00 C ATOM 904 CD LYS A 63 7.585 -6.390 -9.433 1.00 0.00 C ATOM 905 CE LYS A 63 6.483 -7.424 -9.480 1.00 0.00 C ATOM 906 NZ LYS A 63 5.632 -7.429 -8.243 1.00 0.00 N1+ ATOM 0 H LYS A 63 9.896 -3.149 -12.220 1.00 0.00 H new ATOM 0 HA LYS A 63 7.907 -3.943 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.086 -5.288 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.199 -5.514 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.729 -6.101 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.840 -7.302 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.257 -6.618 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.151 -5.411 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.852 -7.235 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.924 -8.412 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.765 -7.976 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.161 -7.862 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.379 -6.452 -7.992 1.00 0.00 H new ATOM 920 N ARG A 64 10.495 -2.321 -9.294 1.00 0.00 N ATOM 921 CA ARG A 64 11.167 -1.740 -8.101 1.00 0.00 C ATOM 922 C ARG A 64 10.182 -1.111 -7.114 1.00 0.00 C ATOM 923 O ARG A 64 10.048 -1.554 -5.973 1.00 0.00 O ATOM 924 CB ARG A 64 12.149 -0.641 -8.474 1.00 0.00 C ATOM 925 CG ARG A 64 13.286 -0.996 -9.392 1.00 0.00 C ATOM 926 CD ARG A 64 14.166 0.241 -9.522 1.00 0.00 C ATOM 927 NE ARG A 64 15.279 0.091 -10.444 1.00 0.00 N ATOM 928 CZ ARG A 64 16.210 1.031 -10.663 1.00 0.00 C ATOM 929 NH1 ARG A 64 16.129 2.215 -10.052 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 17.229 0.773 -11.484 1.00 0.00 N ATOM 0 H ARG A 64 10.845 -1.969 -10.185 1.00 0.00 H new ATOM 0 HA ARG A 64 11.679 -2.586 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.585 0.168 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.575 -0.246 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.857 -1.833 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.910 -1.305 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.549 1.078 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.557 0.499 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 64 15.357 -0.786 -10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.356 2.408 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.840 2.926 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.297 -0.136 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.940 1.485 -11.654 1.00 0.00 H new ATOM 944 N ALA A 65 9.497 -0.074 -7.574 1.00 0.00 N ATOM 945 CA ALA A 65 8.612 0.709 -6.730 1.00 0.00 C ATOM 946 C ALA A 65 7.418 -0.112 -6.272 1.00 0.00 C ATOM 947 O ALA A 65 7.022 -0.061 -5.103 1.00 0.00 O ATOM 948 CB ALA A 65 8.147 1.948 -7.479 1.00 0.00 C ATOM 0 H ALA A 65 9.540 0.246 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 65 9.166 1.013 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.483 2.531 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.011 2.553 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.613 1.649 -8.381 1.00 0.00 H new ATOM 954 N GLY A 66 6.888 -0.900 -7.185 1.00 0.00 N ATOM 955 CA GLY A 66 5.724 -1.696 -6.904 1.00 0.00 C ATOM 956 C GLY A 66 6.022 -2.899 -6.042 1.00 0.00 C ATOM 957 O GLY A 66 5.118 -3.451 -5.423 1.00 0.00 O ATOM 0 H GLY A 66 7.252 -1.002 -8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.979 -1.076 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.284 -2.030 -7.844 1.00 0.00 H new ATOM 961 N LYS A 67 7.296 -3.305 -5.973 1.00 0.00 N ATOM 962 CA LYS A 67 7.677 -4.472 -5.194 1.00 0.00 C ATOM 963 C LYS A 67 7.482 -4.210 -3.721 1.00 0.00 C ATOM 964 O LYS A 67 7.237 -5.131 -2.963 1.00 0.00 O ATOM 965 CB LYS A 67 9.117 -4.928 -5.468 1.00 0.00 C ATOM 966 CG LYS A 67 9.234 -6.422 -5.797 1.00 0.00 C ATOM 967 CD LYS A 67 8.709 -7.298 -4.672 1.00 0.00 C ATOM 968 CE LYS A 67 8.735 -8.772 -5.032 1.00 0.00 C ATOM 969 NZ LYS A 67 8.105 -9.590 -3.972 1.00 0.00 N1+ ATOM 0 H LYS A 67 8.071 -2.841 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 67 7.022 -5.285 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.521 -4.349 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.732 -4.707 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.680 -6.636 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.278 -6.669 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.308 -7.134 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.688 -7.003 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.212 -8.928 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.765 -9.095 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.511 -10.547 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.280 -9.152 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.080 -9.646 -4.140 1.00 0.00 H new ATOM 983 N LEU A 68 7.563 -2.946 -3.333 1.00 0.00 N ATOM 984 CA LEU A 68 7.318 -2.553 -1.957 1.00 0.00 C ATOM 985 C LEU A 68 5.946 -3.019 -1.526 1.00 0.00 C ATOM 986 O LEU A 68 5.793 -3.796 -0.595 1.00 0.00 O ATOM 987 CB LEU A 68 7.352 -1.041 -1.801 1.00 0.00 C ATOM 988 CG LEU A 68 6.905 -0.538 -0.418 1.00 0.00 C ATOM 989 CD1 LEU A 68 7.937 -0.780 0.624 1.00 0.00 C ATOM 990 CD2 LEU A 68 6.448 0.906 -0.411 1.00 0.00 C ATOM 0 H LEU A 68 7.798 -2.173 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 68 8.099 -3.006 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.366 -0.690 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.712 -0.594 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 68 6.027 -1.134 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.579 -0.409 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.135 -1.849 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.856 -0.259 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.149 1.188 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.265 1.548 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.601 1.023 -1.087 1.00 0.00 H new ATOM 1002 N LEU A 69 4.978 -2.598 -2.290 1.00 0.00 N ATOM 1003 CA LEU A 69 3.573 -2.805 -2.006 1.00 0.00 C ATOM 1004 C LEU A 69 3.258 -4.303 -2.164 1.00 0.00 C ATOM 1005 O LEU A 69 2.323 -4.837 -1.584 1.00 0.00 O ATOM 1006 CB LEU A 69 2.759 -2.007 -3.051 1.00 0.00 C ATOM 1007 CG LEU A 69 3.327 -0.616 -3.455 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.404 0.098 -4.417 1.00 0.00 C ATOM 1009 CD2 LEU A 69 3.581 0.250 -2.251 1.00 0.00 C ATOM 0 H LEU A 69 5.143 -2.085 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 69 3.325 -2.479 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.671 -2.615 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.751 -1.865 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 69 4.279 -0.797 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.830 1.066 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.284 -0.502 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.432 0.245 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.977 1.213 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.647 0.404 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.303 -0.239 -1.597 1.00 0.00 H new ATOM 1021 N ASP A 70 4.102 -4.942 -2.933 1.00 0.00 N ATOM 1022 CA ASP A 70 3.988 -6.331 -3.317 1.00 0.00 C ATOM 1023 C ASP A 70 4.525 -7.277 -2.230 1.00 0.00 C ATOM 1024 O ASP A 70 4.001 -8.372 -2.060 1.00 0.00 O ATOM 1025 CB ASP A 70 4.753 -6.501 -4.634 1.00 0.00 C ATOM 1026 CG ASP A 70 4.687 -7.857 -5.284 1.00 0.00 C ATOM 1027 OD1 ASP A 70 3.587 -8.356 -5.502 1.00 0.00 O ATOM 1028 OD2 ASP A 70 5.749 -8.359 -5.733 1.00 0.00 O1- ATOM 0 H ASP A 70 4.926 -4.490 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 70 2.939 -6.597 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.376 -5.765 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.801 -6.261 -4.452 1.00 0.00 H new ATOM 1033 N TYR A 71 5.559 -6.857 -1.481 1.00 0.00 N ATOM 1034 CA TYR A 71 6.107 -7.738 -0.438 1.00 0.00 C ATOM 1035 C TYR A 71 5.281 -7.702 0.835 1.00 0.00 C ATOM 1036 O TYR A 71 4.920 -8.732 1.393 1.00 0.00 O ATOM 1037 CB TYR A 71 7.632 -7.512 -0.118 1.00 0.00 C ATOM 1038 CG TYR A 71 8.104 -6.203 0.564 1.00 0.00 C ATOM 1039 CD1 TYR A 71 8.098 -6.109 1.939 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.632 -5.116 -0.140 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.565 -4.991 2.590 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.111 -4.011 0.522 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.068 -3.955 1.878 1.00 0.00 C ATOM 1044 OH TYR A 71 9.556 -2.851 2.531 1.00 0.00 O ATOM 0 H TYR A 71 6.017 -5.950 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 71 6.039 -8.736 -0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.955 -8.339 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.175 -7.599 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.716 -6.935 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.664 -5.145 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.531 -4.940 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.523 -3.185 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 71 10.090 -2.313 1.910 1.00 0.00 H new ATOM 1054 N LEU A 72 4.931 -6.521 1.244 1.00 0.00 N ATOM 1055 CA LEU A 72 4.251 -6.308 2.493 1.00 0.00 C ATOM 1056 C LEU A 72 2.804 -6.745 2.572 1.00 0.00 C ATOM 1057 O LEU A 72 2.264 -6.800 3.646 1.00 0.00 O ATOM 1058 CB LEU A 72 4.516 -4.949 3.060 1.00 0.00 C ATOM 1059 CG LEU A 72 4.619 -3.834 2.107 1.00 0.00 C ATOM 1060 CD1 LEU A 72 3.280 -3.408 1.571 1.00 0.00 C ATOM 1061 CD2 LEU A 72 5.363 -2.737 2.733 1.00 0.00 C ATOM 0 H LEU A 72 5.110 -5.666 0.717 1.00 0.00 H new ATOM 0 HA LEU A 72 4.719 -7.030 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.720 -4.717 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.445 -4.995 3.629 1.00 0.00 H new ATOM 0 HG LEU A 72 5.172 -4.168 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.414 -2.582 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.811 -4.246 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.644 -3.086 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.444 -1.906 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.838 -2.406 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.361 -3.082 3.003 1.00 0.00 H new ATOM 1073 N GLN A 73 2.176 -7.044 1.433 1.00 0.00 N ATOM 1074 CA GLN A 73 0.768 -7.500 1.425 1.00 0.00 C ATOM 1075 C GLN A 73 0.589 -8.888 2.105 1.00 0.00 C ATOM 1076 O GLN A 73 -0.533 -9.292 2.423 1.00 0.00 O ATOM 1077 CB GLN A 73 0.209 -7.517 0.003 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.293 -7.838 -0.075 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.206 -6.909 0.627 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -1.900 -6.285 1.643 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.356 -6.811 0.082 1.00 0.00 N ATOM 0 H GLN A 73 2.606 -6.983 0.510 1.00 0.00 H new ATOM 0 HA GLN A 73 0.200 -6.781 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.387 -6.545 -0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.758 -8.253 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.581 -7.869 -1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.449 -8.839 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.569 -7.346 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.062 -6.198 0.488 1.00 0.00 H new ATOM 1090 N GLU A 74 1.705 -9.605 2.327 1.00 0.00 N ATOM 1091 CA GLU A 74 1.685 -10.903 3.036 1.00 0.00 C ATOM 1092 C GLU A 74 1.127 -10.647 4.452 1.00 0.00 C ATOM 1093 O GLU A 74 0.292 -11.383 4.967 1.00 0.00 O ATOM 1094 CB GLU A 74 3.134 -11.470 3.053 1.00 0.00 C ATOM 1095 CG GLU A 74 3.333 -12.904 3.583 1.00 0.00 C ATOM 1096 CD GLU A 74 3.106 -13.051 5.073 1.00 0.00 C ATOM 1097 OE1 GLU A 74 3.567 -12.172 5.828 1.00 0.00 O ATOM 1098 OE2 GLU A 74 2.503 -14.053 5.489 1.00 0.00 O1- ATOM 0 H GLU A 74 2.634 -9.310 2.027 1.00 0.00 H new ATOM 0 HA GLU A 74 1.050 -11.642 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.522 -11.431 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.750 -10.801 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.653 -13.572 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.346 -13.229 3.347 1.00 0.00 H new ATOM 1105 N ASN A 75 1.562 -9.544 5.004 1.00 0.00 N ATOM 1106 CA ASN A 75 1.075 -9.001 6.250 1.00 0.00 C ATOM 1107 C ASN A 75 0.164 -7.829 5.921 1.00 0.00 C ATOM 1108 O ASN A 75 0.668 -6.737 5.859 1.00 0.00 O ATOM 1109 CB ASN A 75 2.202 -8.469 7.173 1.00 0.00 C ATOM 1110 CG ASN A 75 2.700 -9.424 8.250 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.982 -8.976 9.375 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.910 -10.667 7.935 1.00 0.00 N ATOM 0 H ASN A 75 2.295 -8.975 4.582 1.00 0.00 H new ATOM 0 HA ASN A 75 0.567 -9.807 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.050 -8.185 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.846 -7.561 7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.317 -11.305 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.668 -11.005 7.004 1.00 0.00 H new ATOM 1119 N PRO A 76 -1.178 -8.041 5.615 1.00 0.00 N ATOM 1120 CA PRO A 76 -2.163 -6.981 5.152 1.00 0.00 C ATOM 1121 C PRO A 76 -2.009 -5.566 5.788 1.00 0.00 C ATOM 1122 O PRO A 76 -2.453 -4.567 5.222 1.00 0.00 O ATOM 1123 CB PRO A 76 -3.536 -7.584 5.507 1.00 0.00 C ATOM 1124 CG PRO A 76 -3.255 -8.923 6.130 1.00 0.00 C ATOM 1125 CD PRO A 76 -1.869 -9.327 5.706 1.00 0.00 C ATOM 0 HA PRO A 76 -2.002 -6.777 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.078 -6.939 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.157 -7.691 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.324 -8.864 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.988 -9.661 5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.399 -9.989 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -1.874 -9.853 4.752 1.00 0.00 H new ATOM 1133 N LYS A 77 -1.364 -5.518 6.943 1.00 0.00 N ATOM 1134 CA LYS A 77 -0.985 -4.292 7.641 1.00 0.00 C ATOM 1135 C LYS A 77 -0.069 -3.433 6.724 1.00 0.00 C ATOM 1136 O LYS A 77 -0.005 -2.230 6.859 1.00 0.00 O ATOM 1137 CB LYS A 77 -0.155 -4.708 8.885 1.00 0.00 C ATOM 1138 CG LYS A 77 0.392 -3.556 9.735 1.00 0.00 C ATOM 1139 CD LYS A 77 1.480 -4.020 10.727 1.00 0.00 C ATOM 1140 CE LYS A 77 2.738 -4.534 10.001 1.00 0.00 C ATOM 1141 NZ LYS A 77 3.842 -4.902 10.939 1.00 0.00 N1+ ATOM 0 H LYS A 77 -1.078 -6.361 7.441 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.873 -3.722 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.777 -5.339 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.684 -5.319 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.805 -2.789 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.427 -3.096 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.752 -3.192 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.079 -4.810 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.474 -5.404 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.093 -3.767 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.636 -5.304 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.163 -4.053 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.497 -5.605 11.623 1.00 0.00 H new ATOM 1155 N GLY A 78 0.612 -4.106 5.806 1.00 0.00 N ATOM 1156 CA GLY A 78 1.595 -3.536 4.911 1.00 0.00 C ATOM 1157 C GLY A 78 1.212 -2.251 4.228 1.00 0.00 C ATOM 1158 O GLY A 78 1.762 -1.198 4.549 1.00 0.00 O ATOM 0 H GLY A 78 0.484 -5.108 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.511 -3.363 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.828 -4.275 4.144 1.00 0.00 H new ATOM 1162 N LEU A 79 0.272 -2.312 3.305 1.00 0.00 N ATOM 1163 CA LEU A 79 -0.093 -1.120 2.542 1.00 0.00 C ATOM 1164 C LEU A 79 -0.878 -0.166 3.395 1.00 0.00 C ATOM 1165 O LEU A 79 -0.951 1.029 3.104 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.829 -1.415 1.222 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.104 -2.292 0.201 1.00 0.00 C ATOM 1168 CD1 LEU A 79 -0.201 -3.745 0.578 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.635 -2.063 -1.193 1.00 0.00 C ATOM 0 H LEU A 79 -0.249 -3.155 3.063 1.00 0.00 H new ATOM 0 HA LEU A 79 0.848 -0.654 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.779 -1.892 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.063 -0.463 0.745 1.00 0.00 H new ATOM 0 HG LEU A 79 0.948 -2.008 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.322 -4.349 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.253 -3.898 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.249 -4.042 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.099 -2.701 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.698 -2.304 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.492 -1.018 -1.470 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.443 -0.697 4.461 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.180 0.098 5.420 1.00 0.00 C ATOM 1183 C ASP A 80 -1.179 1.059 6.078 1.00 0.00 C ATOM 1184 O ASP A 80 -1.375 2.253 6.144 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.799 -0.812 6.489 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.868 -0.127 7.304 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -3.656 0.972 7.819 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -4.992 -0.655 7.380 1.00 0.00 O1- ATOM 0 H ASP A 80 -1.404 -1.691 4.686 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.984 0.646 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.226 -1.691 6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.013 -1.165 7.156 1.00 0.00 H new ATOM 1193 N THR A 81 -0.061 0.491 6.458 1.00 0.00 N ATOM 1194 CA THR A 81 1.060 1.187 7.052 1.00 0.00 C ATOM 1195 C THR A 81 1.667 2.224 6.049 1.00 0.00 C ATOM 1196 O THR A 81 2.212 3.294 6.445 1.00 0.00 O ATOM 1197 CB THR A 81 2.131 0.119 7.451 1.00 0.00 C ATOM 1198 OG1 THR A 81 1.584 -0.786 8.413 1.00 0.00 O ATOM 1199 CG2 THR A 81 3.384 0.725 8.017 1.00 0.00 C ATOM 0 H THR A 81 0.102 -0.511 6.359 1.00 0.00 H new ATOM 0 HA THR A 81 0.731 1.741 7.931 1.00 0.00 H new ATOM 0 HB THR A 81 2.400 -0.404 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.761 -1.183 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.087 -0.067 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.836 1.385 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.139 1.297 8.912 1.00 0.00 H new ATOM 1207 N LEU A 82 1.540 1.920 4.766 1.00 0.00 N ATOM 1208 CA LEU A 82 2.132 2.715 3.703 1.00 0.00 C ATOM 1209 C LEU A 82 1.404 4.014 3.413 1.00 0.00 C ATOM 1210 O LEU A 82 2.044 4.976 3.004 1.00 0.00 O ATOM 1211 CB LEU A 82 2.242 1.930 2.412 1.00 0.00 C ATOM 1212 CG LEU A 82 3.158 0.689 2.421 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.273 0.141 1.043 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.541 1.008 3.005 1.00 0.00 C ATOM 0 H LEU A 82 1.019 1.109 4.432 1.00 0.00 H new ATOM 0 HA LEU A 82 3.122 2.969 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.241 1.609 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.596 2.606 1.634 1.00 0.00 H new ATOM 0 HG LEU A 82 2.708 -0.065 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.921 -0.736 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.285 -0.142 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.698 0.899 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.157 0.109 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.019 1.783 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.430 1.360 4.031 1.00 0.00 H new ATOM 1226 N VAL A 83 0.099 4.066 3.627 1.00 0.00 N ATOM 1227 CA VAL A 83 -0.677 5.276 3.285 1.00 0.00 C ATOM 1228 C VAL A 83 -0.158 6.520 4.011 1.00 0.00 C ATOM 1229 O VAL A 83 -0.047 7.607 3.426 1.00 0.00 O ATOM 1230 CB VAL A 83 -2.211 5.098 3.491 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -2.550 4.726 4.921 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -2.962 6.355 3.098 1.00 0.00 C ATOM 0 H VAL A 83 -0.449 3.305 4.028 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.523 5.430 2.217 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.523 4.279 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.629 4.612 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.060 3.787 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.205 5.512 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.030 6.204 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.622 7.189 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.774 6.577 2.048 1.00 0.00 H new ATOM 1242 N GLU A 84 0.256 6.321 5.239 1.00 0.00 N ATOM 1243 CA GLU A 84 0.803 7.381 6.056 1.00 0.00 C ATOM 1244 C GLU A 84 2.148 7.888 5.495 1.00 0.00 C ATOM 1245 O GLU A 84 2.637 8.935 5.886 1.00 0.00 O ATOM 1246 CB GLU A 84 0.986 6.882 7.489 1.00 0.00 C ATOM 1247 CG GLU A 84 -0.306 6.512 8.183 1.00 0.00 C ATOM 1248 CD GLU A 84 -1.197 7.709 8.319 1.00 0.00 C ATOM 1249 OE1 GLU A 84 -0.956 8.525 9.221 1.00 0.00 O1- ATOM 1250 OE2 GLU A 84 -2.080 7.907 7.470 1.00 0.00 O ATOM 0 H GLU A 84 0.223 5.414 5.704 1.00 0.00 H new ATOM 0 HA GLU A 84 0.103 8.216 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.642 6.012 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.490 7.654 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.818 5.734 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.090 6.100 9.169 1.00 0.00 H new ATOM 1257 N SER A 85 2.747 7.120 4.605 1.00 0.00 N ATOM 1258 CA SER A 85 3.997 7.498 3.993 1.00 0.00 C ATOM 1259 C SER A 85 3.728 8.296 2.711 1.00 0.00 C ATOM 1260 O SER A 85 4.447 9.242 2.401 1.00 0.00 O ATOM 1261 CB SER A 85 4.820 6.245 3.655 1.00 0.00 C ATOM 1262 OG SER A 85 4.968 5.380 4.794 1.00 0.00 O ATOM 0 H SER A 85 2.380 6.222 4.290 1.00 0.00 H new ATOM 0 HA SER A 85 4.559 8.116 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.336 5.700 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.805 6.543 3.295 1.00 0.00 H new ATOM 0 HG SER A 85 5.495 4.593 4.541 1.00 0.00 H new ATOM 1268 N ILE A 86 2.645 7.934 2.009 1.00 0.00 N ATOM 1269 CA ILE A 86 2.322 8.540 0.712 1.00 0.00 C ATOM 1270 C ILE A 86 1.863 9.979 0.900 1.00 0.00 C ATOM 1271 O ILE A 86 1.974 10.792 -0.002 1.00 0.00 O ATOM 1272 CB ILE A 86 1.182 7.788 -0.046 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.390 6.285 -0.051 1.00 0.00 C ATOM 1274 CG2 ILE A 86 1.106 8.273 -1.503 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.237 5.551 -0.710 1.00 0.00 C ATOM 0 H ILE A 86 1.979 7.226 2.318 1.00 0.00 H new ATOM 0 HA ILE A 86 3.237 8.482 0.123 1.00 0.00 H new ATOM 0 HB ILE A 86 0.254 8.008 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.316 6.049 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.505 5.932 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.308 7.742 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.901 9.343 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.056 8.078 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.430 4.478 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.686 5.764 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.138 5.883 -1.743 1.00 0.00 H new ATOM 1287 N ARG A 87 1.333 10.289 2.082 1.00 0.00 N ATOM 1288 CA ARG A 87 0.798 11.628 2.354 1.00 0.00 C ATOM 1289 C ARG A 87 1.863 12.706 2.116 1.00 0.00 C ATOM 1290 O ARG A 87 1.581 13.813 1.670 1.00 0.00 O ATOM 1291 CB ARG A 87 0.230 11.690 3.776 1.00 0.00 C ATOM 1292 CG ARG A 87 -0.431 13.008 4.126 1.00 0.00 C ATOM 1293 CD ARG A 87 -1.352 12.848 5.321 1.00 0.00 C ATOM 1294 NE ARG A 87 -0.665 12.351 6.519 1.00 0.00 N ATOM 1295 CZ ARG A 87 -0.976 11.197 7.154 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -1.889 10.374 6.642 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -0.364 10.872 8.282 1.00 0.00 N ATOM 0 H ARG A 87 1.261 9.638 2.864 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.017 11.828 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.498 10.888 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.036 11.501 4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.331 13.755 4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.998 13.374 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.813 13.809 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.158 12.161 5.061 1.00 0.00 H new ATOM 0 HE ARG A 87 0.097 12.913 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.357 10.612 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.120 9.505 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.344 11.492 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.601 10.002 8.758 1.00 0.00 H new ATOM 1311 N ARG A 88 3.063 12.362 2.460 1.00 0.00 N ATOM 1312 CA ARG A 88 4.217 13.191 2.273 1.00 0.00 C ATOM 1313 C ARG A 88 4.957 12.890 0.933 1.00 0.00 C ATOM 1314 O ARG A 88 5.857 13.647 0.577 1.00 0.00 O ATOM 1315 CB ARG A 88 5.153 13.036 3.503 1.00 0.00 C ATOM 1316 CG ARG A 88 6.421 13.921 3.557 1.00 0.00 C ATOM 1317 CD ARG A 88 6.116 15.427 3.481 1.00 0.00 C ATOM 1318 NE ARG A 88 5.761 15.855 2.118 1.00 0.00 N ATOM 1319 CZ ARG A 88 5.128 16.979 1.777 1.00 0.00 C ATOM 1320 NH1 ARG A 88 4.661 17.810 2.719 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 4.957 17.266 0.490 1.00 0.00 N ATOM 0 H ARG A 88 3.277 11.464 2.895 1.00 0.00 H new ATOM 0 HA ARG A 88 3.893 14.229 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.566 13.236 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.469 11.994 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.962 13.713 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.081 13.649 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.297 15.665 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.985 15.990 3.822 1.00 0.00 H new ATOM 0 HE ARG A 88 6.026 15.229 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.788 17.585 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.178 18.667 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.308 16.630 -0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.474 18.123 0.218 1.00 0.00 H new ATOM 1335 N GLU A 89 4.520 11.822 0.194 1.00 0.00 N ATOM 1336 CA GLU A 89 5.363 11.123 -0.833 1.00 0.00 C ATOM 1337 C GLU A 89 6.251 12.085 -1.661 1.00 0.00 C ATOM 1338 O GLU A 89 7.451 12.174 -1.359 1.00 0.00 O ATOM 1339 CB GLU A 89 4.439 10.276 -1.759 1.00 0.00 C ATOM 1340 CG GLU A 89 4.992 8.875 -2.125 1.00 0.00 C ATOM 1341 CD GLU A 89 6.224 8.881 -3.025 1.00 0.00 C ATOM 1342 OE1 GLU A 89 7.279 9.349 -2.615 1.00 0.00 O ATOM 1343 OE2 GLU A 89 6.149 8.380 -4.156 1.00 0.00 O1- ATOM 0 H GLU A 89 3.585 11.425 0.291 1.00 0.00 H new ATOM 0 HA GLU A 89 6.058 10.473 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.473 10.153 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.262 10.833 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.237 8.346 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.203 8.308 -2.619 1.00 0.00 H new ATOM 1350 N LYS A 90 5.762 12.800 -2.692 1.00 0.00 N ATOM 1351 CA LYS A 90 6.518 13.979 -3.057 1.00 0.00 C ATOM 1352 C LYS A 90 5.789 15.196 -2.494 1.00 0.00 C ATOM 1353 O LYS A 90 6.198 15.864 -1.544 1.00 0.00 O ATOM 1354 CB LYS A 90 6.720 14.145 -4.598 1.00 0.00 C ATOM 1355 CG LYS A 90 7.493 13.033 -5.336 1.00 0.00 C ATOM 1356 CD LYS A 90 6.697 11.734 -5.470 1.00 0.00 C ATOM 1357 CE LYS A 90 7.451 10.709 -6.305 1.00 0.00 C ATOM 1358 NZ LYS A 90 6.715 9.432 -6.424 1.00 0.00 N1+ ATOM 0 H LYS A 90 4.923 12.598 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 90 7.519 13.877 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.736 14.234 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.240 15.088 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.767 13.388 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.422 12.829 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.496 11.324 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.731 11.942 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.631 11.116 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.426 10.523 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.148 8.850 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.755 8.922 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.723 9.625 -6.669 1.00 0.00 H new ATOM 1372 N THR A 91 4.653 15.450 -3.141 1.00 0.00 N ATOM 1373 CA THR A 91 3.633 16.403 -2.756 1.00 0.00 C ATOM 1374 C THR A 91 2.287 15.680 -2.524 1.00 0.00 C ATOM 1375 O THR A 91 1.470 16.068 -1.705 1.00 0.00 O ATOM 1376 CB THR A 91 3.475 17.455 -3.870 1.00 0.00 C ATOM 1377 OG1 THR A 91 4.780 17.922 -4.239 1.00 0.00 O ATOM 1378 CG2 THR A 91 2.639 18.640 -3.399 1.00 0.00 C ATOM 0 H THR A 91 4.412 14.960 -4.003 1.00 0.00 H new ATOM 0 HA THR A 91 3.930 16.893 -1.829 1.00 0.00 H new ATOM 0 HB THR A 91 2.967 16.996 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.699 18.592 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.546 19.364 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.648 18.293 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.125 19.111 -2.544 1.00 0.00 H new ATOM 1386 N GLN A 92 2.133 14.624 -3.338 1.00 0.00 N ATOM 1387 CA GLN A 92 0.907 13.868 -3.640 1.00 0.00 C ATOM 1388 C GLN A 92 -0.138 13.703 -2.552 1.00 0.00 C ATOM 1389 O GLN A 92 -0.160 12.725 -1.847 1.00 0.00 O ATOM 1390 CB GLN A 92 1.218 12.515 -4.318 1.00 0.00 C ATOM 1391 CG GLN A 92 1.635 12.593 -5.803 1.00 0.00 C ATOM 1392 CD GLN A 92 2.876 13.435 -6.071 1.00 0.00 C ATOM 1393 OE1 GLN A 92 3.767 13.545 -5.233 1.00 0.00 O ATOM 1394 NE2 GLN A 92 2.939 14.038 -7.233 1.00 0.00 N ATOM 0 H GLN A 92 2.932 14.244 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 92 0.410 14.545 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.016 12.025 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.337 11.879 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.812 11.582 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.804 13.001 -6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.182 13.926 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.745 14.619 -7.463 1.00 0.00 H new ATOM 1403 N ASN A 93 -1.010 14.683 -2.465 1.00 0.00 N ATOM 1404 CA ASN A 93 -2.197 14.616 -1.613 1.00 0.00 C ATOM 1405 C ASN A 93 -3.286 13.812 -2.325 1.00 0.00 C ATOM 1406 O ASN A 93 -4.145 13.189 -1.696 1.00 0.00 O ATOM 1407 CB ASN A 93 -2.715 16.034 -1.329 1.00 0.00 C ATOM 1408 CG ASN A 93 -4.018 16.068 -0.530 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.102 16.045 -1.099 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -3.920 16.142 0.776 1.00 0.00 N ATOM 0 H ASN A 93 -0.923 15.558 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.938 14.132 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.951 16.587 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.867 16.551 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.763 16.182 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.001 16.159 1.218 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.204 13.804 -3.653 1.00 0.00 N ATOM 1418 CA PHE A 94 -4.200 13.168 -4.513 1.00 0.00 C ATOM 1419 C PHE A 94 -4.410 11.691 -4.163 1.00 0.00 C ATOM 1420 O PHE A 94 -5.540 11.229 -4.057 1.00 0.00 O ATOM 1421 CB PHE A 94 -3.818 13.328 -5.997 1.00 0.00 C ATOM 1422 CG PHE A 94 -4.789 12.687 -6.963 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -5.984 13.311 -7.281 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -4.500 11.461 -7.550 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -6.873 12.726 -8.164 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -5.385 10.873 -8.432 1.00 0.00 C ATOM 1427 CZ PHE A 94 -6.573 11.506 -8.739 1.00 0.00 C ATOM 0 H PHE A 94 -2.439 14.242 -4.167 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.148 13.676 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.742 14.391 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.829 12.896 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.224 14.265 -6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.572 10.962 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.802 13.223 -8.404 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.148 9.920 -8.881 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.267 11.048 -9.428 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.318 10.976 -3.943 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.378 9.549 -3.611 1.00 0.00 C ATOM 1439 C LEU A 95 -4.052 9.315 -2.298 1.00 0.00 C ATOM 1440 O LEU A 95 -4.757 8.346 -2.122 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.985 8.910 -3.558 1.00 0.00 C ATOM 1442 CG LEU A 95 -1.365 8.451 -4.874 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -2.254 7.429 -5.554 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.045 9.608 -5.789 1.00 0.00 C ATOM 0 H LEU A 95 -2.373 11.356 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.957 9.084 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.304 9.627 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.036 8.048 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.414 7.972 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.795 7.114 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.379 6.564 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.228 7.873 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.606 9.231 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.960 10.154 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.338 10.276 -5.297 1.00 0.00 H new ATOM 1456 N ILE A 96 -3.897 10.249 -1.428 1.00 0.00 N ATOM 1457 CA ILE A 96 -4.323 10.113 -0.063 1.00 0.00 C ATOM 1458 C ILE A 96 -5.852 10.184 -0.022 1.00 0.00 C ATOM 1459 O ILE A 96 -6.514 9.460 0.728 1.00 0.00 O ATOM 1460 CB ILE A 96 -3.652 11.220 0.816 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -2.229 11.544 0.289 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -3.545 10.780 2.268 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -1.289 10.349 0.156 1.00 0.00 C ATOM 0 H ILE A 96 -3.464 11.148 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.014 9.152 0.347 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.281 12.108 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.322 12.021 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.770 12.272 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.075 11.570 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.541 10.580 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.942 9.874 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.323 10.686 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.156 9.881 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.716 9.626 -0.539 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.408 11.011 -0.887 1.00 0.00 N ATOM 1476 CA GLN A 97 -7.845 11.072 -1.046 1.00 0.00 C ATOM 1477 C GLN A 97 -8.325 9.937 -1.959 1.00 0.00 C ATOM 1478 O GLN A 97 -9.427 9.419 -1.792 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.304 12.437 -1.564 1.00 0.00 C ATOM 1480 CG GLN A 97 -8.142 13.565 -0.551 1.00 0.00 C ATOM 1481 CD GLN A 97 -8.688 14.884 -1.058 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -9.859 15.182 -0.893 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -7.842 15.704 -1.617 1.00 0.00 N ATOM 0 H GLN A 97 -5.886 11.648 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.298 10.941 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.738 12.684 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.352 12.371 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.653 13.295 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.086 13.682 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.869 15.426 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.154 16.623 -1.930 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.466 9.531 -2.898 1.00 0.00 N ATOM 1493 CA LYS A 98 -7.756 8.427 -3.819 1.00 0.00 C ATOM 1494 C LYS A 98 -8.016 7.139 -3.043 1.00 0.00 C ATOM 1495 O LYS A 98 -8.981 6.432 -3.327 1.00 0.00 O ATOM 1496 CB LYS A 98 -6.587 8.208 -4.815 1.00 0.00 C ATOM 1497 CG LYS A 98 -6.743 7.031 -5.819 1.00 0.00 C ATOM 1498 CD LYS A 98 -7.620 7.345 -7.061 1.00 0.00 C ATOM 1499 CE LYS A 98 -9.084 7.654 -6.746 1.00 0.00 C ATOM 1500 NZ LYS A 98 -9.733 6.582 -5.969 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.551 9.957 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.649 8.693 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.448 9.127 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.675 8.048 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.752 6.728 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.174 6.179 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.188 8.196 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.580 6.495 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.143 8.589 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.629 7.804 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.708 6.862 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.748 5.707 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.202 6.420 -5.090 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.158 6.856 -2.081 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.279 5.668 -1.242 1.00 0.00 C ATOM 1516 C ILE A 99 -8.584 5.719 -0.446 1.00 0.00 C ATOM 1517 O ILE A 99 -9.314 4.731 -0.365 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.067 5.560 -0.278 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -4.782 5.508 -1.104 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.186 4.317 0.616 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.507 5.496 -0.304 1.00 0.00 C ATOM 0 H ILE A 99 -6.354 7.442 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.291 4.787 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.047 6.432 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.807 4.617 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.764 6.368 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.325 4.264 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.099 4.381 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.219 3.423 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.653 5.458 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.450 6.400 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.494 4.621 0.346 1.00 0.00 H new ATOM 1533 N THR A 100 -8.876 6.892 0.094 1.00 0.00 N ATOM 1534 CA THR A 100 -10.090 7.131 0.851 1.00 0.00 C ATOM 1535 C THR A 100 -11.341 6.848 -0.023 1.00 0.00 C ATOM 1536 O THR A 100 -12.267 6.153 0.410 1.00 0.00 O ATOM 1537 CB THR A 100 -10.096 8.588 1.372 1.00 0.00 C ATOM 1538 OG1 THR A 100 -8.877 8.825 2.111 1.00 0.00 O ATOM 1539 CG2 THR A 100 -11.289 8.838 2.290 1.00 0.00 C ATOM 0 H THR A 100 -8.271 7.710 0.017 1.00 0.00 H new ATOM 0 HA THR A 100 -10.121 6.453 1.704 1.00 0.00 H new ATOM 0 HB THR A 100 -10.168 9.263 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.154 9.047 1.487 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.268 9.870 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.214 8.660 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.239 8.163 3.144 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.324 7.366 -1.257 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.395 7.124 -2.249 1.00 0.00 C ATOM 1549 C ASP A 101 -12.584 5.640 -2.502 1.00 0.00 C ATOM 1550 O ASP A 101 -13.706 5.142 -2.487 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.084 7.853 -3.576 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.901 7.341 -4.772 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -14.083 7.582 -4.848 1.00 0.00 O1- ATOM 1554 OD2 ASP A 101 -12.297 6.671 -5.659 1.00 0.00 O ATOM 0 H ASP A 101 -10.573 7.964 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.323 7.522 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.275 8.918 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.023 7.744 -3.800 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.473 4.932 -2.681 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.518 3.510 -2.958 1.00 0.00 C ATOM 1561 C GLU A 102 -12.209 2.736 -1.849 1.00 0.00 C ATOM 1562 O GLU A 102 -13.122 1.992 -2.114 1.00 0.00 O ATOM 1563 CB GLU A 102 -10.126 2.922 -3.224 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.448 3.430 -4.490 1.00 0.00 C ATOM 1565 CD GLU A 102 -10.291 3.245 -5.736 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -10.980 2.251 -5.862 1.00 0.00 O1- ATOM 1567 OE2 GLU A 102 -10.321 4.170 -6.586 1.00 0.00 O ATOM 0 H GLU A 102 -10.533 5.325 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.107 3.403 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.484 3.144 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.211 1.837 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.216 4.488 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.500 2.909 -4.620 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.811 2.977 -0.614 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.321 2.216 0.536 1.00 0.00 C ATOM 1576 C VAL A 103 -13.871 2.161 0.606 1.00 0.00 C ATOM 1577 O VAL A 103 -14.452 1.088 0.529 1.00 0.00 O ATOM 1578 CB VAL A 103 -11.729 2.729 1.883 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.309 1.974 3.070 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.212 2.600 1.881 1.00 0.00 C ATOM 0 H VAL A 103 -11.131 3.697 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.979 1.194 0.376 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.001 3.780 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.874 2.358 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.390 2.110 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.079 0.913 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.815 2.963 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.936 1.554 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.798 3.191 1.064 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.522 3.307 0.670 1.00 0.00 N ATOM 1591 CA LEU A 104 -15.991 3.344 0.817 1.00 0.00 C ATOM 1592 C LEU A 104 -16.703 2.844 -0.454 1.00 0.00 C ATOM 1593 O LEU A 104 -17.834 2.340 -0.402 1.00 0.00 O ATOM 1594 CB LEU A 104 -16.495 4.765 1.188 1.00 0.00 C ATOM 1595 CG LEU A 104 -16.120 5.331 2.588 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -16.532 4.385 3.703 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -14.643 5.697 2.695 1.00 0.00 C ATOM 0 H LEU A 104 -14.076 4.223 0.624 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.239 2.669 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.120 5.459 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.582 4.765 1.108 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.685 6.256 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -16.254 4.814 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -17.611 4.233 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -16.027 3.428 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.436 6.087 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -14.035 4.810 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.402 6.456 1.951 1.00 0.00 H new ATOM 1609 N LYS A 105 -16.027 2.964 -1.574 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.552 2.558 -2.869 1.00 0.00 C ATOM 1611 C LYS A 105 -16.416 1.035 -3.043 1.00 0.00 C ATOM 1612 O LYS A 105 -17.285 0.377 -3.627 1.00 0.00 O ATOM 1613 CB LYS A 105 -15.774 3.301 -3.935 1.00 0.00 C ATOM 1614 CG LYS A 105 -16.180 3.058 -5.378 1.00 0.00 C ATOM 1615 CD LYS A 105 -15.316 3.905 -6.310 1.00 0.00 C ATOM 1616 CE LYS A 105 -13.841 3.553 -6.157 1.00 0.00 C ATOM 1617 NZ LYS A 105 -12.961 4.449 -6.913 1.00 0.00 N1+ ATOM 0 H LYS A 105 -15.084 3.351 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.612 2.800 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.859 4.369 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.721 3.040 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.068 2.002 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -17.232 3.308 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.626 3.747 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.466 4.962 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.571 3.591 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.681 2.528 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.039 3.990 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.391 4.660 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.828 5.334 -6.383 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.339 0.490 -2.488 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.041 -0.948 -2.481 1.00 0.00 C ATOM 1633 C LEU A 106 -16.060 -1.758 -1.704 1.00 0.00 C ATOM 1634 O LEU A 106 -16.003 -2.969 -1.732 1.00 0.00 O ATOM 1635 CB LEU A 106 -13.613 -1.277 -1.990 1.00 0.00 C ATOM 1636 CG LEU A 106 -12.515 -1.520 -3.058 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -12.848 -2.722 -3.931 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -12.280 -0.295 -3.914 1.00 0.00 C ATOM 0 H LEU A 106 -14.626 1.047 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.103 -1.242 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.282 -0.458 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.672 -2.167 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.592 -1.732 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.059 -2.865 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -12.928 -3.613 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.795 -2.550 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.504 -0.508 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.203 -0.028 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.964 0.535 -3.282 1.00 0.00 H new ATOM 1650 N ARG A 107 -16.966 -1.069 -0.986 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.050 -1.671 -0.160 1.00 0.00 C ATOM 1652 C ARG A 107 -18.701 -2.923 -0.809 1.00 0.00 C ATOM 1653 O ARG A 107 -19.135 -3.838 -0.096 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.126 -0.610 0.113 1.00 0.00 C ATOM 1655 CG ARG A 107 -20.347 -1.118 0.871 1.00 0.00 C ATOM 1656 CD ARG A 107 -21.371 -0.016 1.090 1.00 0.00 C ATOM 1657 NE ARG A 107 -21.815 0.614 -0.176 1.00 0.00 N ATOM 1658 CZ ARG A 107 -22.897 1.408 -0.306 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -23.707 1.616 0.744 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -23.170 1.984 -1.485 1.00 0.00 N ATOM 0 H ARG A 107 -16.972 -0.049 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.591 -2.009 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.677 0.205 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.454 -0.193 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.806 -1.936 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -20.035 -1.522 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -22.237 -0.428 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.943 0.747 1.740 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.260 0.433 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -23.504 1.173 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -24.525 2.217 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.559 1.822 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.989 2.584 -1.582 1.00 0.00 H new ATOM 1674 N ASN A 108 -18.754 -2.962 -2.146 1.00 0.00 N ATOM 1675 CA ASN A 108 -19.244 -4.142 -2.879 1.00 0.00 C ATOM 1676 C ASN A 108 -18.492 -5.394 -2.441 1.00 0.00 C ATOM 1677 O ASN A 108 -19.105 -6.362 -2.068 1.00 0.00 O ATOM 1678 CB ASN A 108 -19.110 -3.952 -4.410 1.00 0.00 C ATOM 1679 CG ASN A 108 -19.351 -5.207 -5.248 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -18.724 -5.382 -6.280 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -20.280 -6.035 -4.852 1.00 0.00 N ATOM 0 H ASN A 108 -18.464 -2.190 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 108 -20.301 -4.261 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -19.814 -3.183 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -18.110 -3.577 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.501 -6.859 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -20.785 -5.858 -3.983 1.00 0.00 H new ATOM 1688 N ILE A 109 -17.166 -5.314 -2.370 1.00 0.00 N ATOM 1689 CA ILE A 109 -16.355 -6.479 -2.061 1.00 0.00 C ATOM 1690 C ILE A 109 -16.645 -7.001 -0.639 1.00 0.00 C ATOM 1691 O ILE A 109 -16.539 -8.188 -0.377 1.00 0.00 O ATOM 1692 CB ILE A 109 -14.814 -6.277 -2.341 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -14.082 -7.621 -2.437 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -14.149 -5.424 -1.282 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -14.526 -8.497 -3.593 1.00 0.00 C ATOM 0 H ILE A 109 -16.636 -4.456 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 109 -16.657 -7.258 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 109 -14.745 -5.759 -3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -13.013 -7.432 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -14.229 -8.168 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -13.090 -5.313 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.621 -4.442 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -14.257 -5.903 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.957 -9.427 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -15.588 -8.721 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -14.353 -7.974 -4.533 1.00 0.00 H new ATOM 1707 N LYS A 110 -17.052 -6.108 0.257 1.00 0.00 N ATOM 1708 CA LYS A 110 -17.434 -6.481 1.618 1.00 0.00 C ATOM 1709 C LYS A 110 -18.622 -7.430 1.596 1.00 0.00 C ATOM 1710 O LYS A 110 -18.558 -8.527 2.162 1.00 0.00 O ATOM 1711 CB LYS A 110 -17.748 -5.226 2.443 1.00 0.00 C ATOM 1712 CG LYS A 110 -18.366 -5.449 3.817 1.00 0.00 C ATOM 1713 CD LYS A 110 -17.564 -6.405 4.693 1.00 0.00 C ATOM 1714 CE LYS A 110 -18.079 -6.379 6.126 1.00 0.00 C ATOM 1715 NZ LYS A 110 -19.548 -6.518 6.189 1.00 0.00 N1+ ATOM 0 H LYS A 110 -17.127 -5.109 0.063 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.598 -6.999 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -16.823 -4.664 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.424 -4.598 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.456 -4.490 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.376 -5.841 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.633 -7.417 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.510 -6.127 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.614 -7.185 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.783 -5.444 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.853 -6.529 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.994 -5.716 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.833 -7.406 5.729 1.00 0.00 H new ATOM 1729 N LEU A 111 -19.666 -7.030 0.909 1.00 0.00 N ATOM 1730 CA LEU A 111 -20.866 -7.835 0.796 1.00 0.00 C ATOM 1731 C LEU A 111 -20.676 -8.950 -0.214 1.00 0.00 C ATOM 1732 O LEU A 111 -21.437 -9.875 -0.256 1.00 0.00 O ATOM 1733 CB LEU A 111 -22.106 -6.952 0.502 1.00 0.00 C ATOM 1734 CG LEU A 111 -22.048 -6.057 -0.738 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -22.384 -6.813 -2.025 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -22.912 -4.819 -0.573 1.00 0.00 C ATOM 0 H LEU A 111 -19.711 -6.140 0.413 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.055 -8.316 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.972 -7.607 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.282 -6.316 1.370 1.00 0.00 H new ATOM 0 HG LEU A 111 -21.014 -5.727 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -22.328 -6.131 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -21.672 -7.626 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.392 -7.222 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -22.846 -4.207 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -23.948 -5.117 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.563 -4.243 0.284 1.00 0.00 H new ATOM 1748 N GLU A 112 -19.640 -8.840 -1.024 1.00 0.00 N ATOM 1749 CA GLU A 112 -19.348 -9.844 -2.013 1.00 0.00 C ATOM 1750 C GLU A 112 -18.549 -10.997 -1.388 1.00 0.00 C ATOM 1751 O GLU A 112 -18.601 -12.128 -1.870 1.00 0.00 O ATOM 1752 CB GLU A 112 -18.604 -9.240 -3.198 1.00 0.00 C ATOM 1753 CG GLU A 112 -18.933 -9.911 -4.510 1.00 0.00 C ATOM 1754 CD GLU A 112 -20.420 -9.827 -4.799 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -20.868 -8.790 -5.314 1.00 0.00 O1- ATOM 1756 OE2 GLU A 112 -21.152 -10.798 -4.451 1.00 0.00 O ATOM 0 H GLU A 112 -18.986 -8.057 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 112 -20.291 -10.246 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.846 -8.180 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -17.531 -9.311 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -18.374 -9.437 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -18.622 -10.955 -4.478 1.00 0.00 H new ATOM 1763 N HIS A 113 -17.830 -10.711 -0.285 1.00 0.00 N ATOM 1764 CA HIS A 113 -17.099 -11.771 0.466 1.00 0.00 C ATOM 1765 C HIS A 113 -18.123 -12.621 1.212 1.00 0.00 C ATOM 1766 O HIS A 113 -17.849 -13.729 1.628 1.00 0.00 O ATOM 1767 CB HIS A 113 -16.145 -11.209 1.569 1.00 0.00 C ATOM 1768 CG HIS A 113 -15.024 -10.272 1.178 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -14.754 -9.129 1.905 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -14.044 -10.342 0.230 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -13.676 -8.543 1.431 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -13.226 -9.245 0.429 1.00 0.00 N ATOM 0 H HIS A 113 -17.735 -9.774 0.107 1.00 0.00 H new ATOM 0 HA HIS A 113 -16.511 -12.319 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -16.763 -10.691 2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -15.695 -12.062 2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.930 -11.104 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -13.237 -7.632 1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -12.398 -9.020 -0.123 1.00 0.00 H new ATOM 1781 N LEU A 114 -19.280 -12.045 1.375 1.00 0.00 N ATOM 1782 CA LEU A 114 -20.363 -12.582 2.150 1.00 0.00 C ATOM 1783 C LEU A 114 -21.477 -13.062 1.206 1.00 0.00 C ATOM 1784 O LEU A 114 -21.657 -12.483 0.145 1.00 0.00 O ATOM 1785 CB LEU A 114 -20.793 -11.430 3.135 1.00 0.00 C ATOM 1786 CG LEU A 114 -22.108 -11.494 3.948 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -23.314 -11.157 3.081 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -22.278 -12.839 4.650 1.00 0.00 C ATOM 0 H LEU A 114 -19.505 -11.145 0.951 1.00 0.00 H new ATOM 0 HA LEU A 114 -20.093 -13.461 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -19.983 -11.314 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -20.831 -10.512 2.548 1.00 0.00 H new ATOM 0 HG LEU A 114 -22.043 -10.735 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -24.221 -11.211 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -23.204 -10.149 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -23.381 -11.869 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -23.214 -12.842 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -22.297 -13.637 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -21.445 -13.000 5.335 1.00 0.00 H new ATOM 1800 N LYS A 115 -22.123 -14.161 1.582 1.00 0.00 N ATOM 1801 CA LYS A 115 -23.279 -14.797 0.924 1.00 0.00 C ATOM 1802 C LYS A 115 -23.510 -16.118 1.609 1.00 0.00 C ATOM 1803 O LYS A 115 -23.080 -17.144 1.069 1.00 0.00 O ATOM 1804 CB LYS A 115 -23.102 -15.018 -0.601 1.00 0.00 C ATOM 1805 CG LYS A 115 -23.667 -13.889 -1.477 1.00 0.00 C ATOM 1806 CD LYS A 115 -23.233 -14.019 -2.933 1.00 0.00 C ATOM 1807 CE LYS A 115 -21.719 -13.876 -3.075 1.00 0.00 C ATOM 1808 NZ LYS A 115 -21.235 -12.570 -2.580 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -24.035 -16.095 2.728 1.00 0.00 O1- ATOM 0 H LYS A 115 -21.838 -14.675 2.416 1.00 0.00 H new ATOM 0 HA LYS A 115 -24.131 -14.124 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.040 -15.133 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -23.587 -15.954 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -24.756 -13.898 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -23.336 -12.927 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -23.547 -14.987 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -23.730 -13.257 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.226 -14.677 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -21.441 -13.992 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.195 -12.567 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.577 -11.813 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.592 -12.410 -1.616 1.00 0.00 H new