USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 631 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 64 HIS : no HD1:sc= -0.683 K(o=-0.68,f=-1.8!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.346 (180deg=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -4.32 K(o=-4.3,f=-6.6!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.272 (180deg=0.103) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.79 USER MOD Single : A 27 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.6!) USER MOD Single : A 34 TYR OH : rot -22:sc= 0.195 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.895 USER MOD Single : A 47 THR OG1 : rot -122:sc= 1.25 USER MOD Single : A 57 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.81) USER MOD Single : A 59 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 154:sc= 2.01 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 78 MET CE :methyl 153:sc= -1.14 (180deg=-1.92!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.740 7.586 -5.052 1.00 0.00 N ATOM 67 CA LEU A 8 0.687 6.915 -4.311 1.00 0.00 C ATOM 68 C LEU A 8 0.602 5.455 -4.761 1.00 0.00 C ATOM 69 O LEU A 8 0.591 4.546 -3.932 1.00 0.00 O ATOM 70 CB LEU A 8 -0.634 7.676 -4.447 1.00 0.00 C ATOM 71 CG LEU A 8 -0.965 8.651 -3.314 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.568 9.946 -3.863 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.872 7.993 -2.273 1.00 0.00 C ATOM 0 HA LEU A 8 0.918 6.909 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.616 8.232 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.443 6.950 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.036 8.917 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.794 10.621 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.855 10.422 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.485 9.719 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.092 8.707 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.802 7.679 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.369 7.123 -1.850 1.00 0.00 H new ATOM 85 N ARG A 9 0.545 5.276 -6.072 1.00 0.00 N ATOM 86 CA ARG A 9 0.462 3.941 -6.642 1.00 0.00 C ATOM 87 C ARG A 9 1.515 3.028 -6.010 1.00 0.00 C ATOM 88 O ARG A 9 1.188 1.961 -5.494 1.00 0.00 O ATOM 89 CB ARG A 9 0.670 3.975 -8.158 1.00 0.00 C ATOM 90 CG ARG A 9 0.033 2.756 -8.826 1.00 0.00 C ATOM 91 CD ARG A 9 -1.260 3.140 -9.550 1.00 0.00 C ATOM 92 NE ARG A 9 -0.944 3.916 -10.770 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.996 5.253 -10.845 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.352 5.971 -9.771 1.00 0.00 N ATOM 95 NH2 ARG A 9 -0.693 5.872 -11.994 1.00 0.00 N ATOM 0 H ARG A 9 0.555 6.032 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.534 3.552 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.236 4.887 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.736 4.001 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.735 2.318 -9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.179 1.995 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.819 2.242 -9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.896 3.729 -8.889 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.669 3.401 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.583 5.500 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.392 6.989 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.423 5.326 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.733 6.890 -12.051 1.00 0.00 H new ATOM 109 N GLU A 10 2.759 3.481 -6.073 1.00 0.00 N ATOM 110 CA GLU A 10 3.862 2.718 -5.514 1.00 0.00 C ATOM 111 C GLU A 10 3.770 2.694 -3.986 1.00 0.00 C ATOM 112 O GLU A 10 3.996 1.658 -3.364 1.00 0.00 O ATOM 113 CB GLU A 10 5.208 3.281 -5.973 1.00 0.00 C ATOM 114 CG GLU A 10 5.768 2.476 -7.146 1.00 0.00 C ATOM 115 CD GLU A 10 7.282 2.294 -7.013 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.681 1.403 -6.231 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.006 3.050 -7.696 1.00 0.00 O ATOM 0 H GLU A 10 3.027 4.366 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 10 3.791 1.694 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.089 4.324 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.916 3.263 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.283 1.501 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.540 2.985 -8.083 1.00 0.00 H new ATOM 124 N GLN A 11 3.439 3.849 -3.427 1.00 0.00 N ATOM 125 CA GLN A 11 3.314 3.973 -1.985 1.00 0.00 C ATOM 126 C GLN A 11 2.366 2.904 -1.439 1.00 0.00 C ATOM 127 O GLN A 11 2.693 2.210 -0.479 1.00 0.00 O ATOM 128 CB GLN A 11 2.845 5.376 -1.594 1.00 0.00 C ATOM 129 CG GLN A 11 3.851 6.436 -2.044 1.00 0.00 C ATOM 130 CD GLN A 11 3.813 7.655 -1.120 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.585 7.783 -0.185 1.00 0.00 O ATOM 132 NE2 GLN A 11 2.871 8.542 -1.433 1.00 0.00 N ATOM 0 H GLN A 11 3.254 4.707 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 11 4.297 3.818 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.873 5.577 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.712 5.431 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.855 6.011 -2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.629 6.743 -3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.257 8.374 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.764 9.390 -0.876 1.00 0.00 H new ATOM 141 N VAL A 12 1.207 2.806 -2.077 1.00 0.00 N ATOM 142 CA VAL A 12 0.208 1.834 -1.668 1.00 0.00 C ATOM 143 C VAL A 12 0.736 0.423 -1.938 1.00 0.00 C ATOM 144 O VAL A 12 0.547 -0.480 -1.123 1.00 0.00 O ATOM 145 CB VAL A 12 -1.120 2.120 -2.371 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.133 1.005 -2.106 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.680 3.481 -1.952 1.00 0.00 C ATOM 0 H VAL A 12 0.939 3.384 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 12 0.016 1.911 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.931 2.151 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.068 1.234 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.738 0.059 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.315 0.926 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.624 3.660 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.846 3.490 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.969 4.264 -2.216 1.00 0.00 H new ATOM 157 N LYS A 13 1.384 0.277 -3.084 1.00 0.00 N ATOM 158 CA LYS A 13 1.940 -1.009 -3.471 1.00 0.00 C ATOM 159 C LYS A 13 2.799 -1.554 -2.328 1.00 0.00 C ATOM 160 O LYS A 13 2.578 -2.669 -1.858 1.00 0.00 O ATOM 161 CB LYS A 13 2.688 -0.890 -4.800 1.00 0.00 C ATOM 162 CG LYS A 13 1.774 -1.234 -5.977 1.00 0.00 C ATOM 163 CD LYS A 13 2.534 -1.160 -7.303 1.00 0.00 C ATOM 164 CE LYS A 13 2.370 0.214 -7.953 1.00 0.00 C ATOM 165 NZ LYS A 13 3.554 0.541 -8.779 1.00 0.00 N ATOM 0 H LYS A 13 1.537 1.028 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 13 1.143 -1.732 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.070 0.124 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.550 -1.557 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.365 -2.236 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.929 -0.545 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.591 -1.361 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.168 -1.932 -7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.473 0.225 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.235 0.974 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.734 1.564 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.383 0.028 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.378 0.260 -9.765 1.00 0.00 H new ATOM 179 N GLU A 14 3.760 -0.741 -1.913 1.00 0.00 N ATOM 180 CA GLU A 14 4.653 -1.128 -0.834 1.00 0.00 C ATOM 181 C GLU A 14 3.859 -1.372 0.451 1.00 0.00 C ATOM 182 O GLU A 14 4.198 -2.256 1.235 1.00 0.00 O ATOM 183 CB GLU A 14 5.739 -0.072 -0.616 1.00 0.00 C ATOM 184 CG GLU A 14 6.756 -0.086 -1.758 1.00 0.00 C ATOM 185 CD GLU A 14 8.114 -0.601 -1.276 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.697 0.071 -0.398 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.539 -1.654 -1.797 1.00 0.00 O ATOM 0 H GLU A 14 3.939 0.184 -2.305 1.00 0.00 H new ATOM 0 HA GLU A 14 5.148 -2.058 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.282 0.915 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.247 -0.258 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.390 -0.717 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.867 0.920 -2.163 1.00 0.00 H new ATOM 194 N LEU A 15 2.817 -0.572 0.625 1.00 0.00 N ATOM 195 CA LEU A 15 1.972 -0.690 1.801 1.00 0.00 C ATOM 196 C LEU A 15 1.428 -2.118 1.892 1.00 0.00 C ATOM 197 O LEU A 15 1.781 -2.864 2.804 1.00 0.00 O ATOM 198 CB LEU A 15 0.883 0.384 1.788 1.00 0.00 C ATOM 199 CG LEU A 15 -0.411 0.036 2.527 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.206 0.079 4.042 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.559 0.942 2.078 1.00 0.00 C ATOM 0 H LEU A 15 2.539 0.160 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 15 2.552 -0.512 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.293 1.295 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.636 0.610 0.751 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.687 -0.986 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.141 -0.172 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.562 -0.640 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.107 1.080 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.467 0.674 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.306 1.981 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.724 0.817 1.008 1.00 0.00 H new ATOM 213 N PHE A 16 0.578 -2.454 0.933 1.00 0.00 N ATOM 214 CA PHE A 16 -0.019 -3.779 0.893 1.00 0.00 C ATOM 215 C PHE A 16 1.053 -4.866 0.992 1.00 0.00 C ATOM 216 O PHE A 16 0.869 -5.862 1.689 1.00 0.00 O ATOM 217 CB PHE A 16 -0.735 -3.906 -0.452 1.00 0.00 C ATOM 218 CG PHE A 16 -2.083 -3.186 -0.511 1.00 0.00 C ATOM 219 CD1 PHE A 16 -2.998 -3.374 0.479 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.369 -2.359 -1.552 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.250 -2.706 0.424 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.621 -1.691 -1.606 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.535 -1.879 -0.617 1.00 0.00 C ATOM 0 H PHE A 16 0.288 -1.832 0.178 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.704 -3.904 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.088 -3.509 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.889 -4.963 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.772 -4.031 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.644 -2.210 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.976 -2.855 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.847 -1.034 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.487 -1.371 -0.658 1.00 0.00 H new ATOM 233 N ASN A 17 2.150 -4.636 0.285 1.00 0.00 N ATOM 234 CA ASN A 17 3.251 -5.584 0.285 1.00 0.00 C ATOM 235 C ASN A 17 3.860 -5.653 1.688 1.00 0.00 C ATOM 236 O ASN A 17 4.237 -6.727 2.153 1.00 0.00 O ATOM 237 CB ASN A 17 4.351 -5.150 -0.686 1.00 0.00 C ATOM 238 CG ASN A 17 3.831 -5.119 -2.125 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.643 -5.006 -2.380 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.783 -5.223 -3.047 1.00 0.00 N ATOM 0 H ASN A 17 2.300 -3.808 -0.291 1.00 0.00 H new ATOM 0 HA ASN A 17 2.860 -6.554 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.719 -4.163 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.195 -5.836 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.538 -5.211 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.759 -5.315 -2.764 1.00 0.00 H new ATOM 247 N GLU A 18 3.938 -4.492 2.322 1.00 0.00 N ATOM 248 CA GLU A 18 4.494 -4.407 3.661 1.00 0.00 C ATOM 249 C GLU A 18 3.648 -5.226 4.640 1.00 0.00 C ATOM 250 O GLU A 18 4.187 -5.973 5.455 1.00 0.00 O ATOM 251 CB GLU A 18 4.604 -2.951 4.118 1.00 0.00 C ATOM 252 CG GLU A 18 5.726 -2.227 3.371 1.00 0.00 C ATOM 253 CD GLU A 18 6.917 -1.960 4.294 1.00 0.00 C ATOM 254 OE1 GLU A 18 6.720 -1.206 5.271 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.997 -2.518 4.003 1.00 0.00 O ATOM 0 H GLU A 18 3.625 -3.603 1.933 1.00 0.00 H new ATOM 0 HA GLU A 18 5.501 -4.825 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.657 -2.439 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.794 -2.916 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.048 -2.828 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.352 -1.284 2.972 1.00 0.00 H new ATOM 262 N LYS A 19 2.340 -5.056 4.526 1.00 0.00 N ATOM 263 CA LYS A 19 1.415 -5.769 5.391 1.00 0.00 C ATOM 264 C LYS A 19 1.569 -7.274 5.164 1.00 0.00 C ATOM 265 O LYS A 19 1.801 -8.028 6.108 1.00 0.00 O ATOM 266 CB LYS A 19 -0.013 -5.260 5.186 1.00 0.00 C ATOM 267 CG LYS A 19 -0.129 -3.784 5.571 1.00 0.00 C ATOM 268 CD LYS A 19 -0.094 -3.610 7.091 1.00 0.00 C ATOM 269 CE LYS A 19 -0.112 -2.129 7.474 1.00 0.00 C ATOM 270 NZ LYS A 19 0.109 -1.967 8.929 1.00 0.00 N ATOM 0 H LYS A 19 1.898 -4.435 3.848 1.00 0.00 H new ATOM 0 HA LYS A 19 1.649 -5.578 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.304 -5.392 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.704 -5.852 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.687 -3.221 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.058 -3.373 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.950 -4.115 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.802 -4.083 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.661 -1.595 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.068 -1.686 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.379 -0.983 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.766 -2.198 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.869 -2.606 9.238 1.00 0.00 H new ATOM 284 N TYR A 20 1.435 -7.668 3.905 1.00 0.00 N ATOM 285 CA TYR A 20 1.556 -9.069 3.542 1.00 0.00 C ATOM 286 C TYR A 20 2.763 -9.711 4.230 1.00 0.00 C ATOM 287 O TYR A 20 2.635 -10.754 4.870 1.00 0.00 O ATOM 288 CB TYR A 20 1.774 -9.095 2.028 1.00 0.00 C ATOM 289 CG TYR A 20 1.413 -10.429 1.370 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.216 -11.046 1.672 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.286 -11.015 0.476 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.123 -12.301 1.053 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.946 -12.270 -0.143 1.00 0.00 C ATOM 294 CZ TYR A 20 0.759 -12.851 0.176 1.00 0.00 C ATOM 295 OH TYR A 20 0.439 -14.036 -0.409 1.00 0.00 O ATOM 0 H TYR A 20 1.244 -7.040 3.124 1.00 0.00 H new ATOM 0 HA TYR A 20 0.668 -9.622 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.179 -8.304 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.819 -8.869 1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.466 -10.588 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.223 -10.533 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.057 -12.794 1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.619 -12.739 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.516 -14.216 -0.282 1.00 0.00 H new ATOM 305 N GLY A 21 3.908 -9.062 4.074 1.00 0.00 N ATOM 306 CA GLY A 21 5.136 -9.556 4.671 1.00 0.00 C ATOM 307 C GLY A 21 4.935 -9.875 6.154 1.00 0.00 C ATOM 308 O GLY A 21 5.142 -11.009 6.582 1.00 0.00 O ATOM 0 H GLY A 21 4.010 -8.198 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.466 -10.451 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.924 -8.811 4.559 1.00 0.00 H new ATOM 312 N GLU A 22 4.533 -8.854 6.897 1.00 0.00 N ATOM 313 CA GLU A 22 4.302 -9.011 8.323 1.00 0.00 C ATOM 314 C GLU A 22 3.316 -10.153 8.578 1.00 0.00 C ATOM 315 O GLU A 22 3.549 -10.998 9.441 1.00 0.00 O ATOM 316 CB GLU A 22 3.800 -7.706 8.944 1.00 0.00 C ATOM 317 CG GLU A 22 4.733 -6.543 8.602 1.00 0.00 C ATOM 318 CD GLU A 22 4.926 -5.622 9.809 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.750 -5.984 10.676 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.243 -4.575 9.837 1.00 0.00 O ATOM 0 H GLU A 22 4.361 -7.915 6.538 1.00 0.00 H new ATOM 0 HA GLU A 22 5.250 -9.261 8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.795 -7.490 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.732 -7.816 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.699 -6.930 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.321 -5.974 7.768 1.00 0.00 H new ATOM 327 N ALA A 23 2.236 -10.143 7.810 1.00 0.00 N ATOM 328 CA ALA A 23 1.214 -11.168 7.942 1.00 0.00 C ATOM 329 C ALA A 23 1.825 -12.534 7.626 1.00 0.00 C ATOM 330 O ALA A 23 1.427 -13.545 8.203 1.00 0.00 O ATOM 331 CB ALA A 23 0.033 -10.832 7.029 1.00 0.00 C ATOM 0 H ALA A 23 2.046 -9.441 7.094 1.00 0.00 H new ATOM 0 HA ALA A 23 0.836 -11.204 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.734 -11.601 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.383 -9.866 7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.373 -10.790 5.994 1.00 0.00 H new ATOM 337 N LEU A 24 2.782 -12.522 6.710 1.00 0.00 N ATOM 338 CA LEU A 24 3.452 -13.748 6.311 1.00 0.00 C ATOM 339 C LEU A 24 4.400 -14.193 7.426 1.00 0.00 C ATOM 340 O LEU A 24 4.953 -15.291 7.374 1.00 0.00 O ATOM 341 CB LEU A 24 4.139 -13.566 4.956 1.00 0.00 C ATOM 342 CG LEU A 24 3.263 -13.799 3.723 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.916 -13.216 2.468 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.932 -15.284 3.559 1.00 0.00 C ATOM 0 H LEU A 24 3.110 -11.682 6.232 1.00 0.00 H new ATOM 0 HA LEU A 24 2.727 -14.550 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.539 -12.553 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.989 -14.247 4.907 1.00 0.00 H new ATOM 0 HG LEU A 24 2.320 -13.272 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.273 -13.395 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.059 -12.143 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.882 -13.694 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.309 -15.422 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.855 -15.852 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.396 -15.637 4.440 1.00 0.00 H new ATOM 356 N GLY A 25 4.559 -13.317 8.408 1.00 0.00 N ATOM 357 CA GLY A 25 5.431 -13.607 9.534 1.00 0.00 C ATOM 358 C GLY A 25 6.899 -13.389 9.161 1.00 0.00 C ATOM 359 O GLY A 25 7.791 -13.975 9.771 1.00 0.00 O ATOM 0 H GLY A 25 4.099 -12.407 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.167 -12.968 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.283 -14.638 9.857 1.00 0.00 H new ATOM 363 N LEU A 26 7.103 -12.544 8.160 1.00 0.00 N ATOM 364 CA LEU A 26 8.447 -12.242 7.699 1.00 0.00 C ATOM 365 C LEU A 26 8.865 -10.868 8.227 1.00 0.00 C ATOM 366 O LEU A 26 8.159 -10.268 9.035 1.00 0.00 O ATOM 367 CB LEU A 26 8.532 -12.368 6.177 1.00 0.00 C ATOM 368 CG LEU A 26 7.799 -13.562 5.561 1.00 0.00 C ATOM 369 CD1 LEU A 26 8.010 -13.613 4.046 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.211 -14.869 6.242 1.00 0.00 C ATOM 0 H LEU A 26 6.360 -12.060 7.656 1.00 0.00 H new ATOM 0 HA LEU A 26 9.158 -12.967 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.134 -11.455 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.583 -12.428 5.895 1.00 0.00 H new ATOM 0 HG LEU A 26 6.730 -13.433 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.479 -14.471 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.628 -12.698 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.074 -13.707 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.676 -15.702 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.284 -15.019 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.967 -14.819 7.303 1.00 0.00 H new ATOM 382 N ASN A 27 10.013 -10.410 7.747 1.00 0.00 N ATOM 383 CA ASN A 27 10.534 -9.118 8.160 1.00 0.00 C ATOM 384 C ASN A 27 10.777 -8.252 6.923 1.00 0.00 C ATOM 385 O ASN A 27 11.513 -7.267 6.984 1.00 0.00 O ATOM 386 CB ASN A 27 11.865 -9.271 8.899 1.00 0.00 C ATOM 387 CG ASN A 27 11.714 -8.912 10.380 1.00 0.00 C ATOM 388 OD1 ASN A 27 10.855 -8.141 10.773 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.595 -9.515 11.173 1.00 0.00 N ATOM 0 H ASN A 27 10.596 -10.911 7.076 1.00 0.00 H new ATOM 0 HA ASN A 27 9.804 -8.657 8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.222 -10.296 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.616 -8.628 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.578 -9.343 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.288 -10.150 10.776 1.00 0.00 H new ATOM 396 N ARG A 28 10.146 -8.649 5.828 1.00 0.00 N ATOM 397 CA ARG A 28 10.285 -7.921 4.578 1.00 0.00 C ATOM 398 C ARG A 28 8.942 -7.861 3.847 1.00 0.00 C ATOM 399 O ARG A 28 8.074 -8.704 4.064 1.00 0.00 O ATOM 400 CB ARG A 28 11.323 -8.582 3.668 1.00 0.00 C ATOM 401 CG ARG A 28 10.968 -10.047 3.405 1.00 0.00 C ATOM 402 CD ARG A 28 11.996 -10.703 2.481 1.00 0.00 C ATOM 403 NE ARG A 28 11.476 -10.746 1.095 1.00 0.00 N ATOM 404 CZ ARG A 28 11.660 -9.773 0.194 1.00 0.00 C ATOM 405 NH1 ARG A 28 12.352 -8.675 0.525 1.00 0.00 N ATOM 406 NH2 ARG A 28 11.153 -9.898 -1.040 1.00 0.00 N ATOM 0 H ARG A 28 9.537 -9.466 5.780 1.00 0.00 H new ATOM 0 HA ARG A 28 10.618 -6.911 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.379 -8.042 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.309 -8.520 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.924 -10.589 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.977 -10.110 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.932 -10.145 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.216 -11.713 2.827 1.00 0.00 H new ATOM 0 HE ARG A 28 10.944 -11.568 0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.739 -8.580 1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.492 -7.934 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.627 -10.734 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.293 -9.157 -1.726 1.00 0.00 H new ATOM 420 N PRO A 29 8.809 -6.827 2.973 1.00 0.00 N ATOM 421 CA PRO A 29 7.587 -6.645 2.209 1.00 0.00 C ATOM 422 C PRO A 29 7.494 -7.664 1.071 1.00 0.00 C ATOM 423 O PRO A 29 8.452 -7.854 0.325 1.00 0.00 O ATOM 424 CB PRO A 29 7.641 -5.208 1.716 1.00 0.00 C ATOM 425 CG PRO A 29 9.097 -4.784 1.827 1.00 0.00 C ATOM 426 CD PRO A 29 9.815 -5.809 2.690 1.00 0.00 C ATOM 0 HA PRO A 29 6.690 -6.814 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.290 -5.135 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.000 -4.564 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.555 -4.728 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.173 -3.791 2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.672 -6.234 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.192 -5.359 3.608 1.00 0.00 H new ATOM 434 N VAL A 30 6.331 -8.292 0.976 1.00 0.00 N ATOM 435 CA VAL A 30 6.101 -9.287 -0.058 1.00 0.00 C ATOM 436 C VAL A 30 4.853 -8.905 -0.858 1.00 0.00 C ATOM 437 O VAL A 30 3.867 -8.438 -0.291 1.00 0.00 O ATOM 438 CB VAL A 30 6.006 -10.680 0.568 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.547 -11.713 -0.462 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.338 -11.088 1.199 1.00 0.00 C ATOM 0 H VAL A 30 5.538 -8.131 1.598 1.00 0.00 H new ATOM 0 HA VAL A 30 6.939 -9.315 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 30 5.258 -10.642 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.488 -12.694 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.565 -11.434 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.261 -11.748 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.244 -12.082 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.114 -11.101 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.606 -10.373 1.977 1.00 0.00 H new ATOM 450 N LEU A 31 4.939 -9.118 -2.162 1.00 0.00 N ATOM 451 CA LEU A 31 3.829 -8.802 -3.046 1.00 0.00 C ATOM 452 C LEU A 31 2.595 -9.595 -2.614 1.00 0.00 C ATOM 453 O LEU A 31 2.719 -10.673 -2.031 1.00 0.00 O ATOM 454 CB LEU A 31 4.226 -9.030 -4.507 1.00 0.00 C ATOM 455 CG LEU A 31 4.909 -7.854 -5.208 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.744 -8.334 -6.396 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.886 -6.792 -5.618 1.00 0.00 C ATOM 0 H LEU A 31 5.759 -9.505 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 31 3.571 -7.746 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.893 -9.891 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.330 -9.292 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 31 5.594 -7.386 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.219 -7.478 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.511 -9.025 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.099 -8.841 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.397 -5.967 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.159 -7.232 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.372 -6.420 -4.731 1.00 0.00 H new ATOM 469 N VAL A 32 1.435 -9.033 -2.913 1.00 0.00 N ATOM 470 CA VAL A 32 0.179 -9.676 -2.561 1.00 0.00 C ATOM 471 C VAL A 32 -0.419 -10.333 -3.807 1.00 0.00 C ATOM 472 O VAL A 32 -0.660 -9.664 -4.811 1.00 0.00 O ATOM 473 CB VAL A 32 -0.764 -8.661 -1.910 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.173 -9.237 -1.764 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.218 -8.197 -0.557 1.00 0.00 C ATOM 0 H VAL A 32 1.337 -8.140 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 32 0.346 -10.463 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.825 -7.791 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.823 -8.496 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.564 -9.496 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.138 -10.131 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.906 -7.476 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.115 -9.055 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.756 -7.729 -0.699 1.00 0.00 H new ATOM 485 N PRO A 33 -0.647 -11.669 -3.698 1.00 0.00 N ATOM 486 CA PRO A 33 -1.213 -12.423 -4.803 1.00 0.00 C ATOM 487 C PRO A 33 -2.710 -12.145 -4.950 1.00 0.00 C ATOM 488 O PRO A 33 -3.535 -13.028 -4.722 1.00 0.00 O ATOM 489 CB PRO A 33 -0.909 -13.878 -4.484 1.00 0.00 C ATOM 490 CG PRO A 33 -0.598 -13.921 -2.996 1.00 0.00 C ATOM 491 CD PRO A 33 -0.374 -12.494 -2.526 1.00 0.00 C ATOM 0 HA PRO A 33 -0.785 -12.141 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.759 -14.517 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.064 -14.238 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.421 -14.379 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.288 -14.528 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.039 -12.240 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.646 -12.350 -2.170 1.00 0.00 H new ATOM 499 N TYR A 34 -3.016 -10.912 -5.327 1.00 0.00 N ATOM 500 CA TYR A 34 -4.400 -10.505 -5.505 1.00 0.00 C ATOM 501 C TYR A 34 -5.136 -11.464 -6.442 1.00 0.00 C ATOM 502 O TYR A 34 -6.248 -11.896 -6.145 1.00 0.00 O ATOM 503 CB TYR A 34 -4.351 -9.119 -6.150 1.00 0.00 C ATOM 504 CG TYR A 34 -3.598 -8.074 -5.323 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.229 -7.437 -4.274 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.287 -7.769 -5.628 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.519 -6.454 -3.497 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.577 -6.787 -4.850 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.229 -6.178 -3.823 1.00 0.00 C ATOM 510 OH TYR A 34 -1.559 -5.249 -3.089 1.00 0.00 O ATOM 0 H TYR A 34 -2.329 -10.181 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.926 -10.504 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.879 -9.202 -7.129 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.370 -8.770 -6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.255 -7.676 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.794 -8.267 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.001 -5.948 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.550 -6.540 -5.077 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.202 -4.658 -2.645 1.00 0.00 H new ATOM 520 N LYS A 35 -4.487 -11.770 -7.556 1.00 0.00 N ATOM 521 CA LYS A 35 -5.066 -12.670 -8.539 1.00 0.00 C ATOM 522 C LYS A 35 -5.642 -13.895 -7.825 1.00 0.00 C ATOM 523 O LYS A 35 -6.709 -14.385 -8.190 1.00 0.00 O ATOM 524 CB LYS A 35 -4.040 -13.015 -9.620 1.00 0.00 C ATOM 525 CG LYS A 35 -4.457 -12.439 -10.975 1.00 0.00 C ATOM 526 CD LYS A 35 -3.786 -13.196 -12.123 1.00 0.00 C ATOM 527 CE LYS A 35 -4.805 -13.579 -13.197 1.00 0.00 C ATOM 528 NZ LYS A 35 -4.536 -14.943 -13.703 1.00 0.00 N ATOM 0 H LYS A 35 -3.564 -11.410 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.892 -12.185 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.063 -12.621 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.937 -14.097 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.540 -12.497 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.188 -11.384 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.004 -12.577 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.303 -14.094 -11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.813 -13.530 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.762 -12.865 -14.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.237 -15.188 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.582 -14.979 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.600 -15.623 -12.919 1.00 0.00 H new ATOM 542 N LEU A 36 -4.910 -14.352 -6.819 1.00 0.00 N ATOM 543 CA LEU A 36 -5.335 -15.510 -6.050 1.00 0.00 C ATOM 544 C LEU A 36 -6.452 -15.096 -5.090 1.00 0.00 C ATOM 545 O LEU A 36 -7.598 -15.511 -5.251 1.00 0.00 O ATOM 546 CB LEU A 36 -4.136 -16.161 -5.357 1.00 0.00 C ATOM 547 CG LEU A 36 -3.143 -16.882 -6.271 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.879 -17.275 -5.505 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.798 -18.086 -6.952 1.00 0.00 C ATOM 0 H LEU A 36 -4.026 -13.942 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.747 -16.275 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.598 -15.390 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.509 -16.876 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.841 -16.192 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.190 -17.786 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.401 -16.380 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.144 -17.940 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.070 -18.580 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.147 -18.787 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.643 -17.749 -7.552 1.00 0.00 H new ATOM 561 N ILE A 37 -6.077 -14.285 -4.112 1.00 0.00 N ATOM 562 CA ILE A 37 -7.033 -13.811 -3.125 1.00 0.00 C ATOM 563 C ILE A 37 -8.357 -13.484 -3.819 1.00 0.00 C ATOM 564 O ILE A 37 -9.428 -13.773 -3.289 1.00 0.00 O ATOM 565 CB ILE A 37 -6.450 -12.640 -2.333 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.219 -13.077 -1.535 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.513 -11.998 -1.439 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.052 -12.112 -1.753 1.00 0.00 C ATOM 0 H ILE A 37 -5.125 -13.944 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.240 -14.590 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.123 -11.879 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.466 -13.121 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.925 -14.083 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.071 -11.168 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.332 -11.629 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.894 -12.739 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.191 -12.446 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.792 -12.089 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.341 -11.112 -1.429 1.00 0.00 H new ATOM 580 N ARG A 38 -8.240 -12.886 -4.996 1.00 0.00 N ATOM 581 CA ARG A 38 -9.413 -12.517 -5.769 1.00 0.00 C ATOM 582 C ARG A 38 -10.310 -13.737 -5.988 1.00 0.00 C ATOM 583 O ARG A 38 -11.508 -13.689 -5.714 1.00 0.00 O ATOM 584 CB ARG A 38 -9.017 -11.932 -7.126 1.00 0.00 C ATOM 585 CG ARG A 38 -10.251 -11.468 -7.904 1.00 0.00 C ATOM 586 CD ARG A 38 -10.501 -9.973 -7.694 1.00 0.00 C ATOM 587 NE ARG A 38 -11.761 -9.573 -8.360 1.00 0.00 N ATOM 588 CZ ARG A 38 -11.864 -9.287 -9.664 1.00 0.00 C ATOM 589 NH1 ARG A 38 -10.782 -9.356 -10.453 1.00 0.00 N ATOM 590 NH2 ARG A 38 -13.048 -8.933 -10.182 1.00 0.00 N ATOM 0 H ARG A 38 -7.350 -12.648 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.957 -11.759 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.338 -11.092 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.478 -12.681 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.114 -11.672 -8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.124 -12.035 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.557 -9.751 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.668 -9.396 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.604 -9.511 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.881 -9.626 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.860 -9.138 -11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.872 -8.881 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.125 -8.715 -11.175 1.00 0.00 H new ATOM 604 N ASP A 39 -9.694 -14.802 -6.482 1.00 0.00 N ATOM 605 CA ASP A 39 -10.422 -16.033 -6.742 1.00 0.00 C ATOM 606 C ASP A 39 -10.662 -16.767 -5.421 1.00 0.00 C ATOM 607 O ASP A 39 -11.679 -17.438 -5.254 1.00 0.00 O ATOM 608 CB ASP A 39 -9.624 -16.960 -7.659 1.00 0.00 C ATOM 609 CG ASP A 39 -10.469 -17.828 -8.595 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.058 -17.246 -9.531 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.506 -19.054 -8.352 1.00 0.00 O ATOM 0 H ASP A 39 -8.700 -14.838 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.365 -15.773 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.947 -16.355 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.006 -17.612 -7.042 1.00 0.00 H new ATOM 616 N SER A 40 -9.707 -16.615 -4.514 1.00 0.00 N ATOM 617 CA SER A 40 -9.801 -17.255 -3.214 1.00 0.00 C ATOM 618 C SER A 40 -9.977 -16.199 -2.121 1.00 0.00 C ATOM 619 O SER A 40 -8.998 -15.628 -1.642 1.00 0.00 O ATOM 620 CB SER A 40 -8.566 -18.112 -2.930 1.00 0.00 C ATOM 621 OG SER A 40 -8.564 -18.624 -1.600 1.00 0.00 O ATOM 0 H SER A 40 -8.865 -16.058 -4.655 1.00 0.00 H new ATOM 0 HA SER A 40 -10.671 -17.911 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.530 -18.941 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.667 -17.517 -3.090 1.00 0.00 H new ATOM 0 HG SER A 40 -7.852 -19.290 -1.507 1.00 0.00 H new ATOM 627 N PRO A 41 -11.263 -15.962 -1.750 1.00 0.00 N ATOM 628 CA PRO A 41 -11.579 -14.984 -0.724 1.00 0.00 C ATOM 629 C PRO A 41 -11.240 -15.521 0.668 1.00 0.00 C ATOM 630 O PRO A 41 -11.299 -14.784 1.652 1.00 0.00 O ATOM 631 CB PRO A 41 -13.059 -14.690 -0.902 1.00 0.00 C ATOM 632 CG PRO A 41 -13.620 -15.849 -1.711 1.00 0.00 C ATOM 633 CD PRO A 41 -12.448 -16.619 -2.296 1.00 0.00 C ATOM 0 HA PRO A 41 -10.991 -14.071 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.560 -14.609 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.210 -13.743 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.226 -16.498 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.270 -15.481 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.484 -17.671 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.454 -16.583 -3.385 1.00 0.00 H new ATOM 641 N ASP A 42 -10.892 -16.799 0.706 1.00 0.00 N ATOM 642 CA ASP A 42 -10.544 -17.442 1.961 1.00 0.00 C ATOM 643 C ASP A 42 -9.063 -17.826 1.939 1.00 0.00 C ATOM 644 O ASP A 42 -8.710 -18.969 2.227 1.00 0.00 O ATOM 645 CB ASP A 42 -11.360 -18.719 2.170 1.00 0.00 C ATOM 646 CG ASP A 42 -11.636 -19.079 3.632 1.00 0.00 C ATOM 647 OD1 ASP A 42 -11.831 -18.130 4.423 1.00 0.00 O ATOM 648 OD2 ASP A 42 -11.646 -20.293 3.925 1.00 0.00 O ATOM 0 H ASP A 42 -10.844 -17.406 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.756 -16.742 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.313 -18.612 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.833 -19.550 1.700 1.00 0.00 H new ATOM 653 N ALA A 43 -8.237 -16.850 1.593 1.00 0.00 N ATOM 654 CA ALA A 43 -6.802 -17.070 1.529 1.00 0.00 C ATOM 655 C ALA A 43 -6.099 -16.107 2.487 1.00 0.00 C ATOM 656 O ALA A 43 -5.306 -16.529 3.327 1.00 0.00 O ATOM 657 CB ALA A 43 -6.325 -16.910 0.084 1.00 0.00 C ATOM 0 H ALA A 43 -8.534 -15.904 1.354 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.555 -18.084 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.249 -17.075 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.832 -17.638 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.554 -15.903 -0.265 1.00 0.00 H new ATOM 663 N VAL A 44 -6.413 -14.830 2.327 1.00 0.00 N ATOM 664 CA VAL A 44 -5.822 -13.802 3.167 1.00 0.00 C ATOM 665 C VAL A 44 -6.893 -12.777 3.542 1.00 0.00 C ATOM 666 O VAL A 44 -7.719 -12.404 2.711 1.00 0.00 O ATOM 667 CB VAL A 44 -4.618 -13.178 2.460 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.190 -11.880 3.148 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.453 -14.167 2.382 1.00 0.00 C ATOM 0 H VAL A 44 -7.070 -14.483 1.628 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.449 -14.235 4.095 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.918 -12.934 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.332 -11.457 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.015 -11.168 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.918 -12.089 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.610 -13.697 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.154 -14.457 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.764 -15.052 1.826 1.00 0.00 H new ATOM 679 N GLU A 45 -6.845 -12.350 4.796 1.00 0.00 N ATOM 680 CA GLU A 45 -7.801 -11.375 5.292 1.00 0.00 C ATOM 681 C GLU A 45 -7.168 -9.982 5.330 1.00 0.00 C ATOM 682 O GLU A 45 -6.044 -9.820 5.803 1.00 0.00 O ATOM 683 CB GLU A 45 -8.327 -11.775 6.671 1.00 0.00 C ATOM 684 CG GLU A 45 -9.018 -10.596 7.359 1.00 0.00 C ATOM 685 CD GLU A 45 -8.248 -10.161 8.607 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.366 -10.878 9.625 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.561 -9.122 8.517 1.00 0.00 O ATOM 0 H GLU A 45 -6.159 -12.662 5.483 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.650 -11.349 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.028 -12.603 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.502 -12.129 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.095 -9.759 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.035 -10.876 7.634 1.00 0.00 H new ATOM 694 N VAL A 46 -7.917 -9.013 4.825 1.00 0.00 N ATOM 695 CA VAL A 46 -7.442 -7.640 4.795 1.00 0.00 C ATOM 696 C VAL A 46 -8.419 -6.751 5.568 1.00 0.00 C ATOM 697 O VAL A 46 -9.625 -6.795 5.331 1.00 0.00 O ATOM 698 CB VAL A 46 -7.240 -7.187 3.348 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.009 -5.676 3.272 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.088 -7.951 2.691 1.00 0.00 C ATOM 0 H VAL A 46 -8.849 -9.151 4.434 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.471 -7.561 5.285 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.152 -7.414 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.868 -5.381 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.873 -5.155 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.120 -5.414 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.965 -7.610 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.168 -7.769 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.310 -9.018 2.696 1.00 0.00 H new ATOM 710 N THR A 47 -7.861 -5.964 6.477 1.00 0.00 N ATOM 711 CA THR A 47 -8.667 -5.067 7.286 1.00 0.00 C ATOM 712 C THR A 47 -7.914 -3.760 7.545 1.00 0.00 C ATOM 713 O THR A 47 -6.739 -3.639 7.204 1.00 0.00 O ATOM 714 CB THR A 47 -9.058 -5.806 8.567 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.894 -6.558 8.902 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.132 -6.870 8.324 1.00 0.00 C ATOM 0 H THR A 47 -6.860 -5.930 6.671 1.00 0.00 H new ATOM 0 HA THR A 47 -9.582 -4.782 6.766 1.00 0.00 H new ATOM 0 HB THR A 47 -9.417 -5.089 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.121 -7.510 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.373 -7.365 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.028 -6.397 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.760 -7.606 7.612 1.00 0.00 H new ATOM 724 N GLY A 48 -8.622 -2.815 8.146 1.00 0.00 N ATOM 725 CA GLY A 48 -8.035 -1.522 8.454 1.00 0.00 C ATOM 726 C GLY A 48 -8.280 -0.525 7.320 1.00 0.00 C ATOM 727 O GLY A 48 -8.311 0.684 7.548 1.00 0.00 O ATOM 0 H GLY A 48 -9.597 -2.919 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.461 -1.137 9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.963 -1.635 8.619 1.00 0.00 H new ATOM 731 N LEU A 49 -8.445 -1.068 6.123 1.00 0.00 N ATOM 732 CA LEU A 49 -8.685 -0.240 4.953 1.00 0.00 C ATOM 733 C LEU A 49 -9.729 0.825 5.292 1.00 0.00 C ATOM 734 O LEU A 49 -10.438 0.709 6.290 1.00 0.00 O ATOM 735 CB LEU A 49 -9.061 -1.109 3.751 1.00 0.00 C ATOM 736 CG LEU A 49 -7.893 -1.658 2.928 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.393 -2.580 1.815 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.024 -0.522 2.384 1.00 0.00 C ATOM 0 H LEU A 49 -8.417 -2.071 5.938 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.775 0.286 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.655 -1.950 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.701 -0.524 3.091 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.264 -2.258 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.543 -2.956 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.936 -3.418 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.056 -2.024 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.201 -0.939 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.627 0.124 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.623 0.059 3.214 1.00 0.00 H new ATOM 750 N PRO A 50 -9.791 1.867 4.420 1.00 0.00 N ATOM 751 CA PRO A 50 -10.737 2.953 4.618 1.00 0.00 C ATOM 752 C PRO A 50 -12.157 2.516 4.252 1.00 0.00 C ATOM 753 O PRO A 50 -12.348 1.717 3.337 1.00 0.00 O ATOM 754 CB PRO A 50 -10.222 4.086 3.748 1.00 0.00 C ATOM 755 CG PRO A 50 -9.278 3.446 2.743 1.00 0.00 C ATOM 756 CD PRO A 50 -8.967 2.039 3.228 1.00 0.00 C ATOM 0 HA PRO A 50 -10.805 3.268 5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.043 4.595 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.704 4.834 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.736 3.417 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.362 4.030 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.209 1.296 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.908 1.925 3.459 1.00 0.00 H new ATOM 764 N ASP A 51 -13.116 3.060 4.987 1.00 0.00 N ATOM 765 CA ASP A 51 -14.514 2.737 4.750 1.00 0.00 C ATOM 766 C ASP A 51 -14.895 3.152 3.328 1.00 0.00 C ATOM 767 O ASP A 51 -14.384 4.142 2.808 1.00 0.00 O ATOM 768 CB ASP A 51 -15.425 3.489 5.722 1.00 0.00 C ATOM 769 CG ASP A 51 -15.328 5.014 5.651 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.780 5.564 4.624 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.804 5.597 6.626 1.00 0.00 O ATOM 0 H ASP A 51 -12.953 3.722 5.746 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.641 1.664 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.457 3.196 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.188 3.172 6.738 1.00 0.00 H new ATOM 776 N ASP A 52 -15.792 2.372 2.739 1.00 0.00 N ATOM 777 CA ASP A 52 -16.248 2.646 1.388 1.00 0.00 C ATOM 778 C ASP A 52 -15.114 2.355 0.402 1.00 0.00 C ATOM 779 O ASP A 52 -15.028 2.981 -0.654 1.00 0.00 O ATOM 780 CB ASP A 52 -16.647 4.115 1.227 1.00 0.00 C ATOM 781 CG ASP A 52 -17.987 4.348 0.527 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.976 3.726 0.972 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.993 5.142 -0.437 1.00 0.00 O ATOM 0 H ASP A 52 -16.214 1.551 3.174 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.113 2.013 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.685 4.576 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.867 4.628 0.665 1.00 0.00 H new ATOM 788 N ILE A 53 -14.272 1.404 0.782 1.00 0.00 N ATOM 789 CA ILE A 53 -13.148 1.023 -0.055 1.00 0.00 C ATOM 790 C ILE A 53 -12.817 -0.451 0.186 1.00 0.00 C ATOM 791 O ILE A 53 -12.472 -0.840 1.301 1.00 0.00 O ATOM 792 CB ILE A 53 -11.965 1.965 0.176 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.329 3.404 -0.193 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.722 1.478 -0.573 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.128 4.337 -0.017 1.00 0.00 C ATOM 0 H ILE A 53 -14.346 0.887 1.658 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.405 1.125 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.725 1.957 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.675 3.442 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.154 3.746 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.896 2.165 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.451 0.483 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.933 1.438 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.415 5.354 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.800 4.316 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.313 4.007 -0.662 1.00 0.00 H new ATOM 807 N PRO A 54 -12.935 -1.252 -0.907 1.00 0.00 N ATOM 808 CA PRO A 54 -12.651 -2.675 -0.826 1.00 0.00 C ATOM 809 C PRO A 54 -11.144 -2.931 -0.758 1.00 0.00 C ATOM 810 O PRO A 54 -10.368 -2.020 -0.477 1.00 0.00 O ATOM 811 CB PRO A 54 -13.302 -3.277 -2.061 1.00 0.00 C ATOM 812 CG PRO A 54 -13.521 -2.119 -3.021 1.00 0.00 C ATOM 813 CD PRO A 54 -13.339 -0.827 -2.243 1.00 0.00 C ATOM 0 HA PRO A 54 -13.048 -3.132 0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.663 -4.039 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.246 -3.760 -1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.812 -2.170 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.520 -2.166 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.582 -0.192 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.263 -0.250 -2.212 1.00 0.00 H new ATOM 821 N PHE A 55 -10.777 -4.177 -1.020 1.00 0.00 N ATOM 822 CA PHE A 55 -9.376 -4.565 -0.993 1.00 0.00 C ATOM 823 C PHE A 55 -8.971 -5.248 -2.300 1.00 0.00 C ATOM 824 O PHE A 55 -9.135 -6.458 -2.450 1.00 0.00 O ATOM 825 CB PHE A 55 -9.209 -5.557 0.159 1.00 0.00 C ATOM 826 CG PHE A 55 -8.012 -6.496 0.004 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.750 -5.990 -0.018 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.210 -7.837 -0.112 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.638 -6.862 -0.162 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.098 -8.708 -0.256 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.835 -8.203 -0.279 1.00 0.00 C ATOM 0 H PHE A 55 -11.424 -4.930 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.748 -3.683 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.103 -5.001 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.117 -6.154 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.593 -4.925 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.212 -8.239 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.636 -6.460 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.255 -9.773 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.990 -8.866 -0.390 1.00 0.00 H new ATOM 841 N ARG A 56 -8.449 -4.443 -3.214 1.00 0.00 N ATOM 842 CA ARG A 56 -8.018 -4.954 -4.504 1.00 0.00 C ATOM 843 C ARG A 56 -6.728 -4.260 -4.947 1.00 0.00 C ATOM 844 O ARG A 56 -6.288 -3.301 -4.317 1.00 0.00 O ATOM 845 CB ARG A 56 -9.096 -4.740 -5.569 1.00 0.00 C ATOM 846 CG ARG A 56 -10.441 -5.308 -5.110 1.00 0.00 C ATOM 847 CD ARG A 56 -11.109 -6.109 -6.229 1.00 0.00 C ATOM 848 NE ARG A 56 -12.576 -6.118 -6.038 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.459 -6.365 -7.015 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.030 -6.624 -8.257 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.773 -6.353 -6.749 1.00 0.00 N ATOM 0 H ARG A 56 -8.315 -3.440 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.839 -6.024 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.199 -3.675 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.793 -5.220 -6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.292 -5.947 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.096 -4.494 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.863 -5.673 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.728 -7.130 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.938 -5.924 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.030 -6.633 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.703 -6.812 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.100 -6.156 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.446 -6.541 -7.492 1.00 0.00 H new ATOM 865 N ASN A 57 -6.160 -4.773 -6.028 1.00 0.00 N ATOM 866 CA ASN A 57 -4.929 -4.215 -6.563 1.00 0.00 C ATOM 867 C ASN A 57 -4.976 -2.690 -6.451 1.00 0.00 C ATOM 868 O ASN A 57 -6.016 -2.078 -6.686 1.00 0.00 O ATOM 869 CB ASN A 57 -4.757 -4.575 -8.039 1.00 0.00 C ATOM 870 CG ASN A 57 -3.506 -5.429 -8.253 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.410 -4.933 -8.456 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.730 -6.740 -8.197 1.00 0.00 N ATOM 0 H ASN A 57 -6.529 -5.569 -6.548 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.096 -4.626 -5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.636 -5.116 -8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.686 -3.664 -8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.959 -7.395 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.672 -7.089 -8.023 1.00 0.00 H new ATOM 879 N PRO A 58 -3.804 -2.105 -6.082 1.00 0.00 N ATOM 880 CA PRO A 58 -3.702 -0.662 -5.937 1.00 0.00 C ATOM 881 C PRO A 58 -3.656 0.025 -7.302 1.00 0.00 C ATOM 882 O PRO A 58 -3.691 1.252 -7.386 1.00 0.00 O ATOM 883 CB PRO A 58 -2.442 -0.438 -5.116 1.00 0.00 C ATOM 884 CG PRO A 58 -1.638 -1.724 -5.228 1.00 0.00 C ATOM 885 CD PRO A 58 -2.552 -2.797 -5.796 1.00 0.00 C ATOM 0 HA PRO A 58 -4.569 -0.227 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.875 0.412 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.687 -0.219 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.773 -1.578 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.259 -2.024 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.130 -3.240 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.702 -3.608 -5.083 1.00 0.00 H new ATOM 893 N ASN A 59 -3.578 -0.795 -8.340 1.00 0.00 N ATOM 894 CA ASN A 59 -3.526 -0.281 -9.698 1.00 0.00 C ATOM 895 C ASN A 59 -4.944 -0.221 -10.270 1.00 0.00 C ATOM 896 O ASN A 59 -5.280 -0.967 -11.189 1.00 0.00 O ATOM 897 CB ASN A 59 -2.691 -1.192 -10.600 1.00 0.00 C ATOM 898 CG ASN A 59 -2.041 -0.395 -11.733 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.429 0.718 -12.045 1.00 0.00 O ATOM 900 ND2 ASN A 59 -1.032 -1.025 -12.327 1.00 0.00 N ATOM 0 H ASN A 59 -3.550 -1.812 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.072 0.710 -9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.920 -1.687 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.324 -1.975 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.531 -0.576 -13.094 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.759 -1.957 -12.016 1.00 0.00 H new ATOM 907 N THR A 60 -5.739 0.674 -9.702 1.00 0.00 N ATOM 908 CA THR A 60 -7.114 0.842 -10.144 1.00 0.00 C ATOM 909 C THR A 60 -7.808 1.931 -9.325 1.00 0.00 C ATOM 910 O THR A 60 -8.618 2.691 -9.854 1.00 0.00 O ATOM 911 CB THR A 60 -7.807 -0.520 -10.057 1.00 0.00 C ATOM 912 OG1 THR A 60 -9.195 -0.200 -10.023 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.553 -1.222 -8.722 1.00 0.00 C ATOM 0 H THR A 60 -5.458 1.291 -8.940 1.00 0.00 H new ATOM 0 HA THR A 60 -7.159 1.181 -11.179 1.00 0.00 H new ATOM 0 HB THR A 60 -7.462 -1.156 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.720 -1.026 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.067 -2.183 -8.713 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.483 -1.382 -8.593 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.928 -0.602 -7.908 1.00 0.00 H new ATOM 921 N TYR A 61 -7.466 1.973 -8.045 1.00 0.00 N ATOM 922 CA TYR A 61 -8.046 2.957 -7.148 1.00 0.00 C ATOM 923 C TYR A 61 -7.966 4.362 -7.747 1.00 0.00 C ATOM 924 O TYR A 61 -7.417 4.547 -8.833 1.00 0.00 O ATOM 925 CB TYR A 61 -7.205 2.911 -5.871 1.00 0.00 C ATOM 926 CG TYR A 61 -7.374 1.625 -5.059 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.637 1.136 -4.797 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.264 0.956 -4.588 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.797 -0.074 -4.034 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.422 -0.254 -3.823 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.682 -0.710 -3.585 1.00 0.00 C ATOM 932 OH TYR A 61 -7.832 -1.853 -2.862 1.00 0.00 O ATOM 0 H TYR A 61 -6.795 1.341 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.097 2.735 -6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.154 3.025 -6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.470 3.762 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.506 1.661 -5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.275 1.340 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.780 -0.468 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.561 -0.787 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.029 -2.407 -2.956 1.00 0.00 H new ATOM 942 N ASP A 62 -8.522 5.316 -7.015 1.00 0.00 N ATOM 943 CA ASP A 62 -8.521 6.699 -7.461 1.00 0.00 C ATOM 944 C ASP A 62 -7.693 7.542 -6.490 1.00 0.00 C ATOM 945 O ASP A 62 -7.435 7.123 -5.362 1.00 0.00 O ATOM 946 CB ASP A 62 -9.940 7.269 -7.494 1.00 0.00 C ATOM 947 CG ASP A 62 -10.984 6.368 -8.158 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.567 5.539 -8.995 1.00 0.00 O ATOM 949 OD2 ASP A 62 -12.174 6.529 -7.811 1.00 0.00 O ATOM 0 H ASP A 62 -8.977 5.158 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.099 6.729 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.257 7.474 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.920 8.224 -8.019 1.00 0.00 H new ATOM 954 N ILE A 63 -7.302 8.717 -6.961 1.00 0.00 N ATOM 955 CA ILE A 63 -6.510 9.624 -6.148 1.00 0.00 C ATOM 956 C ILE A 63 -7.054 9.626 -4.717 1.00 0.00 C ATOM 957 O ILE A 63 -6.287 9.708 -3.758 1.00 0.00 O ATOM 958 CB ILE A 63 -6.459 11.013 -6.789 1.00 0.00 C ATOM 959 CG1 ILE A 63 -5.063 11.625 -6.658 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.542 11.924 -6.209 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.118 13.148 -6.798 1.00 0.00 C ATOM 0 H ILE A 63 -7.519 9.062 -7.896 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.476 9.285 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.665 10.907 -7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.635 11.360 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.406 11.209 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.484 12.905 -6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.523 11.488 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.392 12.029 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.113 13.559 -6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.524 13.409 -7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.756 13.562 -6.017 1.00 0.00 H new ATOM 973 N HIS A 64 -8.371 9.535 -4.620 1.00 0.00 N ATOM 974 CA HIS A 64 -9.027 9.525 -3.323 1.00 0.00 C ATOM 975 C HIS A 64 -8.653 8.248 -2.568 1.00 0.00 C ATOM 976 O HIS A 64 -7.875 8.291 -1.615 1.00 0.00 O ATOM 977 CB HIS A 64 -10.539 9.701 -3.477 1.00 0.00 C ATOM 978 CG HIS A 64 -11.110 10.842 -2.669 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.849 11.010 -1.320 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.929 11.870 -3.034 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.488 12.092 -0.902 1.00 0.00 C ATOM 982 NE2 HIS A 64 -12.157 12.623 -1.965 1.00 0.00 N ATOM 0 H HIS A 64 -9.003 9.467 -5.418 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.680 10.371 -2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.770 9.863 -4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.034 8.776 -3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.325 12.042 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.481 12.485 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.737 13.461 -1.942 1.00 0.00 H new ATOM 990 N ARG A 65 -9.222 7.142 -3.023 1.00 0.00 N ATOM 991 CA ARG A 65 -8.958 5.854 -2.402 1.00 0.00 C ATOM 992 C ARG A 65 -7.464 5.705 -2.107 1.00 0.00 C ATOM 993 O ARG A 65 -7.081 5.336 -0.997 1.00 0.00 O ATOM 994 CB ARG A 65 -9.409 4.705 -3.305 1.00 0.00 C ATOM 995 CG ARG A 65 -10.917 4.766 -3.558 1.00 0.00 C ATOM 996 CD ARG A 65 -11.454 3.407 -4.008 1.00 0.00 C ATOM 997 NE ARG A 65 -12.896 3.509 -4.320 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.383 3.895 -5.507 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.545 4.218 -6.502 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.707 3.959 -5.699 1.00 0.00 N ATOM 0 H ARG A 65 -9.865 7.110 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.523 5.812 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.875 4.753 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.152 3.752 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.429 5.080 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.131 5.516 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.907 3.064 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.295 2.667 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.562 3.270 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.537 4.170 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.916 4.512 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.345 3.714 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.078 4.253 -6.603 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.661 5.998 -3.118 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.217 5.900 -2.981 1.00 0.00 C ATOM 1016 C LEU A 66 -4.779 6.642 -1.716 1.00 0.00 C ATOM 1017 O LEU A 66 -4.009 6.113 -0.916 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.523 6.390 -4.252 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.579 5.444 -5.454 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.681 5.943 -6.588 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -4.238 4.012 -5.040 1.00 0.00 C ATOM 0 H LEU A 66 -6.982 6.304 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.915 4.859 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.969 7.341 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.477 6.587 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.601 5.435 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.740 5.252 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.012 6.932 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.651 6.001 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.285 3.360 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.233 3.984 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.953 3.669 -4.292 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.288 7.858 -1.575 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.958 8.678 -0.421 1.00 0.00 C ATOM 1035 C GLU A 67 -5.497 8.035 0.858 1.00 0.00 C ATOM 1036 O GLU A 67 -4.747 7.808 1.807 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.496 10.101 -0.589 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.518 10.966 -1.386 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.847 12.006 -0.486 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.549 12.969 -0.111 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.647 11.814 -0.195 1.00 0.00 O ATOM 0 H GLU A 67 -5.926 8.295 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.873 8.742 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.459 10.072 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.667 10.547 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.759 10.333 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.047 11.468 -2.196 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.793 7.759 0.844 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.441 7.148 1.991 1.00 0.00 C ATOM 1050 C LYS A 68 -6.587 5.979 2.490 1.00 0.00 C ATOM 1051 O LYS A 68 -6.185 5.951 3.652 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.879 6.755 1.649 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.677 7.968 1.164 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.895 8.216 2.056 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.643 9.478 1.623 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.079 10.671 2.296 1.00 0.00 N ATOM 0 H LYS A 68 -7.412 7.948 0.055 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.517 7.863 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.876 5.985 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.361 6.325 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.038 8.851 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.002 7.807 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.565 7.358 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.576 8.316 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.574 9.596 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.701 9.382 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.598 11.519 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.168 10.563 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.075 10.770 2.043 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.336 5.043 1.586 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.538 3.876 1.919 1.00 0.00 C ATOM 1072 C ILE A 69 -4.251 4.325 2.615 1.00 0.00 C ATOM 1073 O ILE A 69 -3.967 3.903 3.735 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.298 3.018 0.675 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.578 2.293 0.255 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.135 2.048 0.895 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.742 2.309 -1.267 1.00 0.00 C ATOM 0 H ILE A 69 -6.672 5.070 0.623 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.073 3.236 2.620 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.017 3.677 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.551 1.263 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.440 2.769 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.985 1.450 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.227 2.611 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.363 1.391 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.659 1.787 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.793 3.340 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.890 1.811 -1.730 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.508 5.176 1.922 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.258 5.686 2.459 1.00 0.00 C ATOM 1091 C LEU A 70 -2.517 6.321 3.826 1.00 0.00 C ATOM 1092 O LEU A 70 -1.686 6.222 4.728 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.592 6.632 1.458 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.646 5.981 0.446 1.00 0.00 C ATOM 1095 CD1 LEU A 70 0.193 7.035 -0.277 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.224 4.916 1.116 1.00 0.00 C ATOM 0 H LEU A 70 -3.748 5.525 0.994 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.549 4.872 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.374 7.157 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.034 7.384 2.015 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.248 5.476 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.856 6.546 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.465 7.723 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.787 7.589 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.887 4.469 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.819 5.376 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.413 4.143 1.546 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.673 6.958 3.939 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.051 7.609 5.181 1.00 0.00 C ATOM 1110 C LYS A 71 -4.331 6.545 6.244 1.00 0.00 C ATOM 1111 O LYS A 71 -4.220 6.813 7.440 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.221 8.568 4.949 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.810 10.013 5.237 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.035 10.926 5.317 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.434 11.183 6.771 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.467 12.239 6.848 1.00 0.00 N ATOM 0 H LYS A 71 -4.361 7.037 3.190 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.232 8.225 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.567 8.483 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.057 8.289 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.257 10.057 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.139 10.367 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.820 11.873 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.868 10.470 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.812 10.264 7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.558 11.481 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.725 12.400 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.094 13.120 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.309 11.941 6.315 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.689 5.360 5.771 1.00 0.00 N ATOM 1131 CA ALA A 72 -4.985 4.255 6.666 1.00 0.00 C ATOM 1132 C ALA A 72 -3.876 3.205 6.558 1.00 0.00 C ATOM 1133 O ALA A 72 -4.121 2.016 6.753 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.364 3.683 6.332 1.00 0.00 C ATOM 0 H ALA A 72 -4.781 5.141 4.779 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.016 4.597 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.586 2.854 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.119 4.460 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.371 3.327 5.302 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.681 3.684 6.247 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.534 2.803 6.111 1.00 0.00 C ATOM 1142 C ARG A 73 -1.110 2.267 7.480 1.00 0.00 C ATOM 1143 O ARG A 73 -0.611 1.148 7.586 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.353 3.531 5.467 1.00 0.00 C ATOM 1145 CG ARG A 73 0.172 4.640 6.382 1.00 0.00 C ATOM 1146 CD ARG A 73 1.281 5.438 5.694 1.00 0.00 C ATOM 1147 NE ARG A 73 1.710 6.558 6.562 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.686 7.421 6.247 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.340 7.297 5.084 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.009 8.406 7.096 1.00 0.00 N ATOM 0 H ARG A 73 -2.482 4.671 6.085 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.828 1.973 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.446 2.820 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.661 3.957 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.645 5.307 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.552 4.205 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.129 4.788 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.925 5.823 4.739 1.00 0.00 H new ATOM 0 HE ARG A 73 1.233 6.681 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.095 6.546 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.083 7.954 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.512 8.499 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.752 9.063 6.856 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.324 3.093 8.494 1.00 0.00 N ATOM 1165 CA GLU A 74 -0.970 2.718 9.853 1.00 0.00 C ATOM 1166 C GLU A 74 -2.150 2.022 10.535 1.00 0.00 C ATOM 1167 O GLU A 74 -2.245 2.013 11.762 1.00 0.00 O ATOM 1168 CB GLU A 74 -0.511 3.935 10.656 1.00 0.00 C ATOM 1169 CG GLU A 74 0.967 4.237 10.399 1.00 0.00 C ATOM 1170 CD GLU A 74 1.837 3.747 11.559 1.00 0.00 C ATOM 1171 OE1 GLU A 74 2.068 2.520 11.615 1.00 0.00 O ATOM 1172 OE2 GLU A 74 2.250 4.611 12.362 1.00 0.00 O ATOM 0 H GLU A 74 -1.738 4.021 8.402 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.136 2.018 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.115 4.802 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.669 3.754 11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.284 3.756 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.105 5.310 10.265 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.018 1.455 9.711 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.188 0.759 10.221 1.00 0.00 C ATOM 1181 C HIS A 75 -4.361 -0.566 9.476 1.00 0.00 C ATOM 1182 O HIS A 75 -4.598 -1.603 10.093 1.00 0.00 O ATOM 1183 CB HIS A 75 -5.429 1.651 10.141 1.00 0.00 C ATOM 1184 CG HIS A 75 -5.535 2.658 11.260 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -5.809 2.298 12.568 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -5.400 4.015 11.254 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -5.836 3.398 13.308 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -5.583 4.460 12.491 1.00 0.00 N ATOM 0 H HIS A 75 -2.935 1.463 8.694 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.047 0.527 11.277 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.422 2.181 9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.318 1.020 10.148 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.181 4.624 10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.025 3.445 14.370 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.541 5.437 12.783 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.235 -0.489 8.159 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.374 -1.670 7.323 1.00 0.00 C ATOM 1198 C VAL A 76 -3.687 -2.855 8.003 1.00 0.00 C ATOM 1199 O VAL A 76 -2.540 -2.747 8.436 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.830 -1.386 5.922 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.612 -2.686 5.145 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.754 -0.437 5.156 1.00 0.00 C ATOM 0 H VAL A 76 -4.038 0.373 7.650 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.425 -1.931 7.202 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.863 -0.895 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.225 -2.456 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.896 -3.312 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.559 -3.217 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.344 -0.252 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.742 -0.888 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.836 0.506 5.696 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.416 -3.959 8.077 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.890 -5.162 8.697 1.00 0.00 C ATOM 1214 C ARG A 77 -4.273 -6.394 7.874 1.00 0.00 C ATOM 1215 O ARG A 77 -5.407 -6.508 7.410 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.422 -5.325 10.123 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.897 -6.612 10.761 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.704 -6.323 11.674 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.290 -7.560 12.375 1.00 0.00 N ATOM 1220 CZ ARG A 77 -1.328 -7.611 13.307 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.674 -6.494 13.654 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -1.021 -8.777 13.888 1.00 0.00 N ATOM 0 H ARG A 77 -5.367 -4.045 7.718 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.805 -5.068 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.123 -4.468 10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.512 -5.340 10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.692 -7.088 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.602 -7.314 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.873 -5.933 11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.969 -5.555 12.401 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.767 -8.428 12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.909 -5.607 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.058 -6.531 14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.519 -9.626 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.289 -8.816 14.597 1.00 0.00 H new ATOM 1236 N MET A 78 -3.305 -7.286 7.717 1.00 0.00 N ATOM 1237 CA MET A 78 -3.526 -8.505 6.958 1.00 0.00 C ATOM 1238 C MET A 78 -3.454 -9.736 7.863 1.00 0.00 C ATOM 1239 O MET A 78 -2.632 -9.791 8.777 1.00 0.00 O ATOM 1240 CB MET A 78 -2.471 -8.618 5.856 1.00 0.00 C ATOM 1241 CG MET A 78 -2.785 -7.668 4.697 1.00 0.00 C ATOM 1242 SD MET A 78 -1.434 -7.665 3.529 1.00 0.00 S ATOM 1243 CE MET A 78 -2.142 -6.652 2.241 1.00 0.00 C ATOM 0 H MET A 78 -2.366 -7.188 8.103 1.00 0.00 H new ATOM 0 HA MET A 78 -4.522 -8.461 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.487 -8.387 6.264 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.431 -9.644 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.705 -7.977 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.951 -6.660 5.077 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.344 -6.154 1.690 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.717 -7.279 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.798 -5.904 2.686 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.325 -10.693 7.578 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.369 -11.920 8.355 1.00 0.00 C ATOM 1255 C VAL A 79 -4.483 -13.115 7.408 1.00 0.00 C ATOM 1256 O VAL A 79 -5.444 -13.222 6.648 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.511 -11.853 9.372 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.616 -13.158 10.163 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.340 -10.656 10.310 1.00 0.00 C ATOM 0 H VAL A 79 -5.006 -10.643 6.820 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.448 -12.044 8.925 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.442 -11.718 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.435 -13.085 10.879 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.806 -13.984 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.682 -13.336 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.164 -10.631 11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.397 -10.748 10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.337 -9.735 9.727 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.486 -13.984 7.481 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.461 -15.168 6.640 1.00 0.00 C ATOM 1271 C ILE A 80 -4.565 -16.129 7.085 1.00 0.00 C ATOM 1272 O ILE A 80 -4.442 -16.784 8.119 1.00 0.00 O ATOM 1273 CB ILE A 80 -2.064 -15.795 6.636 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.994 -14.747 6.322 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -2.000 -16.985 5.678 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.077 -14.301 4.861 1.00 0.00 C ATOM 0 H ILE A 80 -2.689 -13.892 8.110 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.668 -14.902 5.603 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.857 -16.176 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.121 -13.885 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.005 -15.159 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.997 -17.412 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.721 -17.741 5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.236 -16.652 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.306 -13.556 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.926 -15.161 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.058 -13.867 4.668 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.617 -16.183 6.282 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.743 -17.053 6.581 1.00 0.00 C ATOM 1290 C ILE A 81 -6.376 -18.495 6.224 1.00 0.00 C ATOM 1291 O ILE A 81 -6.372 -19.371 7.087 1.00 0.00 O ATOM 1292 CB ILE A 81 -8.008 -16.550 5.886 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.375 -15.143 6.365 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.163 -17.536 6.069 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.352 -15.060 7.892 1.00 0.00 C ATOM 0 H ILE A 81 -5.714 -15.639 5.425 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.966 -17.035 7.648 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.807 -16.484 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.675 -14.419 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.366 -14.877 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -10.051 -17.154 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.889 -18.500 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.373 -17.657 7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.616 -14.050 8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.070 -15.768 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.353 -15.303 8.255 1.00 0.00 H new