USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 149:sc= -6.99! (180deg=-7.31!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 23:sc= -7.28! USER MOD Single : A 23 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.2!) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0765) USER MOD Single : A 35 GLN : amide:sc=-0.00507 X(o=-0.0051,f=-0.22) USER MOD Single : A 38 SER OG : rot -65:sc= 0.951 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.158) USER MOD Single : A 42 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 48 GLN : amide:sc= -1.99 K(o=-2,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.0084 (180deg=-0.514) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.0981 (180deg=-0.489) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 150:sc= 0.678 USER MOD Single : A 67 SER OG : rot -54:sc= 0.339 USER MOD Single : A 71 ASN : amide:sc= -0.0491 K(o=-0.049,f=-2!) USER MOD Single : A 72 SER OG : rot 109:sc= 0.472 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.704 -13.693 4.935 1.00 0.00 N ATOM 60 CA GLY A 7 5.772 -13.046 3.638 1.00 0.00 C ATOM 61 C GLY A 7 6.817 -11.948 3.593 1.00 0.00 C ATOM 62 O GLY A 7 8.015 -12.220 3.654 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.999 -13.791 2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.797 -12.626 3.393 1.00 0.00 H new ATOM 66 N MET A 8 6.361 -10.704 3.483 1.00 0.00 N ATOM 67 CA MET A 8 7.266 -9.562 3.429 1.00 0.00 C ATOM 68 C MET A 8 6.710 -8.390 4.232 1.00 0.00 C ATOM 69 O MET A 8 5.528 -8.365 4.573 1.00 0.00 O ATOM 70 CB MET A 8 7.497 -9.136 1.978 1.00 0.00 C ATOM 71 CG MET A 8 6.270 -8.527 1.319 1.00 0.00 C ATOM 72 SD MET A 8 6.666 -7.629 -0.193 1.00 0.00 S ATOM 73 CE MET A 8 5.045 -7.034 -0.668 1.00 0.00 C ATOM 0 H MET A 8 5.372 -10.462 3.430 1.00 0.00 H new ATOM 0 HA MET A 8 8.217 -9.862 3.868 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.312 -8.413 1.946 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.817 -10.003 1.400 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.555 -9.318 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.783 -7.851 2.022 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.145 -6.082 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.569 -7.760 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.432 -6.897 0.223 1.00 0.00 H new ATOM 83 N GLN A 9 7.571 -7.422 4.531 1.00 0.00 N ATOM 84 CA GLN A 9 7.165 -6.249 5.295 1.00 0.00 C ATOM 85 C GLN A 9 7.099 -5.014 4.403 1.00 0.00 C ATOM 86 O GLN A 9 8.029 -4.732 3.645 1.00 0.00 O ATOM 87 CB GLN A 9 8.136 -6.006 6.452 1.00 0.00 C ATOM 88 CG GLN A 9 7.635 -4.988 7.463 1.00 0.00 C ATOM 89 CD GLN A 9 8.676 -4.645 8.511 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.838 -5.036 8.399 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.264 -3.911 9.538 1.00 0.00 N ATOM 0 H GLN A 9 8.553 -7.427 4.256 1.00 0.00 H new ATOM 0 HA GLN A 9 6.170 -6.437 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.323 -6.951 6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.090 -5.666 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.338 -4.079 6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.744 -5.378 7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.291 -3.608 9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.920 -3.650 10.274 1.00 0.00 H new ATOM 100 N LEU A 10 5.995 -4.281 4.496 1.00 0.00 N ATOM 101 CA LEU A 10 5.807 -3.075 3.696 1.00 0.00 C ATOM 102 C LEU A 10 5.631 -1.851 4.590 1.00 0.00 C ATOM 103 O LEU A 10 5.014 -1.928 5.653 1.00 0.00 O ATOM 104 CB LEU A 10 4.593 -3.231 2.780 1.00 0.00 C ATOM 105 CG LEU A 10 4.727 -4.260 1.657 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.610 -4.090 0.639 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.087 -4.141 0.984 1.00 0.00 C ATOM 0 H LEU A 10 5.216 -4.500 5.117 1.00 0.00 H new ATOM 0 HA LEU A 10 6.698 -2.931 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.733 -3.502 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.373 -2.261 2.333 1.00 0.00 H new ATOM 0 HG LEU A 10 4.645 -5.256 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.723 -4.831 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.646 -4.227 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.659 -3.090 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.165 -4.881 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.199 -3.142 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.873 -4.315 1.719 1.00 0.00 H new ATOM 119 N THR A 11 6.174 -0.720 4.150 1.00 0.00 N ATOM 120 CA THR A 11 6.076 0.520 4.908 1.00 0.00 C ATOM 121 C THR A 11 5.472 1.636 4.062 1.00 0.00 C ATOM 122 O THR A 11 6.151 2.232 3.227 1.00 0.00 O ATOM 123 CB THR A 11 7.454 0.973 5.426 1.00 0.00 C ATOM 124 OG1 THR A 11 8.220 -0.164 5.839 1.00 0.00 O ATOM 125 CG2 THR A 11 7.304 1.940 6.590 1.00 0.00 C ATOM 0 H THR A 11 6.686 -0.638 3.272 1.00 0.00 H new ATOM 0 HA THR A 11 5.425 0.319 5.758 1.00 0.00 H new ATOM 0 HB THR A 11 7.972 1.484 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.095 0.132 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.291 2.246 6.939 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.746 2.818 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.768 1.450 7.403 1.00 0.00 H new ATOM 133 N VAL A 12 4.191 1.913 4.284 1.00 0.00 N ATOM 134 CA VAL A 12 3.495 2.959 3.543 1.00 0.00 C ATOM 135 C VAL A 12 3.783 4.334 4.134 1.00 0.00 C ATOM 136 O VAL A 12 3.475 4.601 5.296 1.00 0.00 O ATOM 137 CB VAL A 12 1.973 2.723 3.535 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.243 3.965 3.046 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.626 1.517 2.675 1.00 0.00 C ATOM 0 H VAL A 12 3.614 1.428 4.971 1.00 0.00 H new ATOM 0 HA VAL A 12 3.865 2.922 2.519 1.00 0.00 H new ATOM 0 HB VAL A 12 1.649 2.518 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.169 3.780 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.467 4.803 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.569 4.204 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.547 1.365 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.963 1.690 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.120 0.631 3.075 1.00 0.00 H new ATOM 149 N LYS A 13 4.375 5.207 3.326 1.00 0.00 N ATOM 150 CA LYS A 13 4.703 6.558 3.766 1.00 0.00 C ATOM 151 C LYS A 13 3.848 7.590 3.038 1.00 0.00 C ATOM 152 O LYS A 13 3.859 7.663 1.809 1.00 0.00 O ATOM 153 CB LYS A 13 6.186 6.848 3.527 1.00 0.00 C ATOM 154 CG LYS A 13 6.618 8.228 3.990 1.00 0.00 C ATOM 155 CD LYS A 13 8.001 8.584 3.469 1.00 0.00 C ATOM 156 CE LYS A 13 7.926 9.256 2.106 1.00 0.00 C ATOM 157 NZ LYS A 13 7.583 10.701 2.218 1.00 0.00 N ATOM 0 H LYS A 13 4.638 5.003 2.362 1.00 0.00 H new ATOM 0 HA LYS A 13 4.493 6.627 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.783 6.097 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.400 6.747 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.897 8.970 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.618 8.264 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.498 9.248 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.608 7.681 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.883 9.148 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.179 8.752 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.542 11.123 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.658 10.803 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.309 11.188 2.781 1.00 0.00 H new ATOM 171 N ALA A 14 3.110 8.387 3.803 1.00 0.00 N ATOM 172 CA ALA A 14 2.253 9.418 3.231 1.00 0.00 C ATOM 173 C ALA A 14 3.030 10.708 2.992 1.00 0.00 C ATOM 174 O ALA A 14 3.813 11.139 3.839 1.00 0.00 O ATOM 175 CB ALA A 14 1.061 9.678 4.140 1.00 0.00 C ATOM 0 H ALA A 14 3.088 8.338 4.822 1.00 0.00 H new ATOM 0 HA ALA A 14 1.890 9.060 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.430 10.450 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.484 8.760 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.414 10.010 5.116 1.00 0.00 H new ATOM 224 N ARG A 18 1.439 10.969 7.445 1.00 0.00 N ATOM 225 CA ARG A 18 1.555 9.826 8.342 1.00 0.00 C ATOM 226 C ARG A 18 2.097 8.606 7.602 1.00 0.00 C ATOM 227 O ARG A 18 2.150 8.588 6.373 1.00 0.00 O ATOM 228 CB ARG A 18 0.196 9.497 8.962 1.00 0.00 C ATOM 229 CG ARG A 18 -0.268 10.516 9.989 1.00 0.00 C ATOM 230 CD ARG A 18 0.495 10.376 11.297 1.00 0.00 C ATOM 231 NE ARG A 18 1.787 11.054 11.252 1.00 0.00 N ATOM 232 CZ ARG A 18 1.924 12.373 11.178 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.852 13.152 11.141 1.00 0.00 N ATOM 234 NH2 ARG A 18 3.134 12.915 11.141 1.00 0.00 N ATOM 0 HA ARG A 18 2.255 10.089 9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.549 9.428 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.250 8.516 9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.131 11.522 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.335 10.389 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.102 10.787 12.111 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.648 9.319 11.516 1.00 0.00 H new ATOM 0 HE ARG A 18 2.632 10.483 11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.080 12.739 11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.959 14.165 11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.961 12.319 11.169 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.237 13.928 11.084 1.00 0.00 H new ATOM 248 N GLU A 19 2.499 7.591 8.360 1.00 0.00 N ATOM 249 CA GLU A 19 3.039 6.369 7.775 1.00 0.00 C ATOM 250 C GLU A 19 2.635 5.148 8.597 1.00 0.00 C ATOM 251 O GLU A 19 2.293 5.265 9.774 1.00 0.00 O ATOM 252 CB GLU A 19 4.563 6.452 7.679 1.00 0.00 C ATOM 253 CG GLU A 19 5.085 7.867 7.494 1.00 0.00 C ATOM 254 CD GLU A 19 5.203 8.622 8.803 1.00 0.00 C ATOM 255 OE1 GLU A 19 5.667 8.022 9.795 1.00 0.00 O ATOM 256 OE2 GLU A 19 4.830 9.814 8.836 1.00 0.00 O ATOM 0 H GLU A 19 2.461 7.590 9.379 1.00 0.00 H new ATOM 0 HA GLU A 19 2.625 6.264 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.999 6.028 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.900 5.837 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.062 7.830 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.419 8.411 6.824 1.00 0.00 H new ATOM 263 N CYS A 20 2.678 3.979 7.968 1.00 0.00 N ATOM 264 CA CYS A 20 2.316 2.736 8.640 1.00 0.00 C ATOM 265 C CYS A 20 2.980 1.540 7.966 1.00 0.00 C ATOM 266 O CYS A 20 3.124 1.504 6.744 1.00 0.00 O ATOM 267 CB CYS A 20 0.798 2.557 8.644 1.00 0.00 C ATOM 268 SG CYS A 20 0.108 2.076 7.043 1.00 0.00 S ATOM 0 H CYS A 20 2.960 3.866 6.994 1.00 0.00 H new ATOM 0 HA CYS A 20 2.670 2.792 9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.534 1.801 9.383 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.334 3.490 8.962 1.00 0.00 H new ATOM 0 HG CYS A 20 1.033 1.512 6.324 1.00 0.00 H new ATOM 274 N SER A 21 3.384 0.562 8.771 1.00 0.00 N ATOM 275 CA SER A 21 4.038 -0.634 8.252 1.00 0.00 C ATOM 276 C SER A 21 3.319 -1.894 8.725 1.00 0.00 C ATOM 277 O SER A 21 2.813 -1.951 9.846 1.00 0.00 O ATOM 278 CB SER A 21 5.502 -0.672 8.693 1.00 0.00 C ATOM 279 OG SER A 21 5.644 -1.348 9.931 1.00 0.00 O ATOM 0 H SER A 21 3.270 0.574 9.785 1.00 0.00 H new ATOM 0 HA SER A 21 3.995 -0.599 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.102 -1.171 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.884 0.345 8.784 1.00 0.00 H new ATOM 0 HG SER A 21 6.589 -1.360 10.191 1.00 0.00 H new ATOM 285 N LEU A 22 3.279 -2.903 7.861 1.00 0.00 N ATOM 286 CA LEU A 22 2.623 -4.164 8.189 1.00 0.00 C ATOM 287 C LEU A 22 3.307 -5.332 7.486 1.00 0.00 C ATOM 288 O LEU A 22 4.211 -5.137 6.674 1.00 0.00 O ATOM 289 CB LEU A 22 1.146 -4.111 7.794 1.00 0.00 C ATOM 290 CG LEU A 22 0.260 -3.187 8.631 1.00 0.00 C ATOM 291 CD1 LEU A 22 0.232 -1.789 8.033 1.00 0.00 C ATOM 292 CD2 LEU A 22 -1.149 -3.751 8.738 1.00 0.00 C ATOM 0 H LEU A 22 3.693 -2.872 6.929 1.00 0.00 H new ATOM 0 HA LEU A 22 2.700 -4.316 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.080 -3.798 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.739 -5.121 7.850 1.00 0.00 H new ATOM 0 HG LEU A 22 0.681 -3.123 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.403 -1.146 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.243 -1.383 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.164 -1.835 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.765 -3.080 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.580 -3.846 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.113 -4.732 9.213 1.00 0.00 H new ATOM 304 N GLN A 23 2.867 -6.546 7.802 1.00 0.00 N ATOM 305 CA GLN A 23 3.436 -7.745 7.199 1.00 0.00 C ATOM 306 C GLN A 23 2.452 -8.385 6.226 1.00 0.00 C ATOM 307 O GLN A 23 1.350 -8.779 6.610 1.00 0.00 O ATOM 308 CB GLN A 23 3.826 -8.751 8.284 1.00 0.00 C ATOM 309 CG GLN A 23 2.653 -9.217 9.131 1.00 0.00 C ATOM 310 CD GLN A 23 1.971 -10.444 8.559 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.747 -10.481 8.421 1.00 0.00 O ATOM 312 NE2 GLN A 23 2.760 -11.457 8.221 1.00 0.00 N ATOM 0 H GLN A 23 2.119 -6.725 8.472 1.00 0.00 H new ATOM 0 HA GLN A 23 4.329 -7.454 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.291 -9.618 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.576 -8.300 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.003 -9.438 10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.927 -8.409 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.769 -11.384 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.357 -12.309 7.830 1.00 0.00 H new ATOM 321 N VAL A 24 2.856 -8.486 4.964 1.00 0.00 N ATOM 322 CA VAL A 24 2.010 -9.079 3.935 1.00 0.00 C ATOM 323 C VAL A 24 2.848 -9.777 2.869 1.00 0.00 C ATOM 324 O VAL A 24 4.003 -9.427 2.625 1.00 0.00 O ATOM 325 CB VAL A 24 1.120 -8.019 3.260 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.067 -7.508 4.232 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.968 -6.872 2.729 1.00 0.00 C ATOM 0 H VAL A 24 3.764 -8.165 4.629 1.00 0.00 H new ATOM 0 HA VAL A 24 1.375 -9.813 4.432 1.00 0.00 H new ATOM 0 HB VAL A 24 0.607 -8.483 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.552 -6.760 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.559 -8.338 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.557 -7.060 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.323 -6.132 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.509 -6.407 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.680 -7.254 1.998 1.00 0.00 H new ATOM 337 N PRO A 25 2.254 -10.787 2.218 1.00 0.00 N ATOM 338 CA PRO A 25 2.927 -11.555 1.166 1.00 0.00 C ATOM 339 C PRO A 25 3.143 -10.736 -0.102 1.00 0.00 C ATOM 340 O PRO A 25 2.307 -9.910 -0.468 1.00 0.00 O ATOM 341 CB PRO A 25 1.960 -12.711 0.897 1.00 0.00 C ATOM 342 CG PRO A 25 0.625 -12.192 1.306 1.00 0.00 C ATOM 343 CD PRO A 25 0.879 -11.258 2.457 1.00 0.00 C ATOM 0 HA PRO A 25 3.923 -11.876 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.968 -12.997 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.233 -13.597 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.139 -11.671 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.036 -13.006 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.168 -10.432 2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.790 -11.769 3.416 1.00 0.00 H new ATOM 351 N GLU A 26 4.270 -10.970 -0.768 1.00 0.00 N ATOM 352 CA GLU A 26 4.595 -10.252 -1.995 1.00 0.00 C ATOM 353 C GLU A 26 3.542 -10.508 -3.069 1.00 0.00 C ATOM 354 O GLU A 26 3.502 -9.820 -4.090 1.00 0.00 O ATOM 355 CB GLU A 26 5.974 -10.671 -2.507 1.00 0.00 C ATOM 356 CG GLU A 26 6.116 -12.169 -2.719 1.00 0.00 C ATOM 357 CD GLU A 26 7.358 -12.532 -3.508 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.347 -12.362 -4.745 1.00 0.00 O ATOM 359 OE2 GLU A 26 8.343 -12.987 -2.888 1.00 0.00 O ATOM 0 H GLU A 26 4.972 -11.651 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 26 4.608 -9.186 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.174 -10.159 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.732 -10.340 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.147 -12.668 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.236 -12.543 -3.242 1.00 0.00 H new ATOM 366 N ASP A 27 2.692 -11.501 -2.832 1.00 0.00 N ATOM 367 CA ASP A 27 1.638 -11.847 -3.779 1.00 0.00 C ATOM 368 C ASP A 27 0.282 -11.348 -3.289 1.00 0.00 C ATOM 369 O ASP A 27 -0.762 -11.793 -3.765 1.00 0.00 O ATOM 370 CB ASP A 27 1.591 -13.361 -3.991 1.00 0.00 C ATOM 371 CG ASP A 27 1.101 -13.737 -5.375 1.00 0.00 C ATOM 372 OD1 ASP A 27 1.630 -13.185 -6.363 1.00 0.00 O ATOM 373 OD2 ASP A 27 0.189 -14.585 -5.472 1.00 0.00 O ATOM 0 H ASP A 27 2.712 -12.080 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 27 1.863 -11.361 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.586 -13.778 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.937 -13.810 -3.243 1.00 0.00 H new ATOM 378 N GLU A 28 0.307 -10.422 -2.336 1.00 0.00 N ATOM 379 CA GLU A 28 -0.921 -9.864 -1.782 1.00 0.00 C ATOM 380 C GLU A 28 -1.620 -8.969 -2.800 1.00 0.00 C ATOM 381 O GLU A 28 -0.972 -8.238 -3.551 1.00 0.00 O ATOM 382 CB GLU A 28 -0.617 -9.068 -0.510 1.00 0.00 C ATOM 383 CG GLU A 28 -1.853 -8.731 0.307 1.00 0.00 C ATOM 384 CD GLU A 28 -2.343 -9.904 1.133 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.544 -10.993 0.558 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.525 -9.731 2.357 1.00 0.00 O ATOM 0 H GLU A 28 1.163 -10.043 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.586 -10.691 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.073 -9.640 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.109 -8.143 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.630 -7.894 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.649 -8.405 -0.363 1.00 0.00 H new ATOM 393 N LEU A 29 -2.947 -9.031 -2.821 1.00 0.00 N ATOM 394 CA LEU A 29 -3.736 -8.227 -3.748 1.00 0.00 C ATOM 395 C LEU A 29 -3.739 -6.760 -3.330 1.00 0.00 C ATOM 396 O LEU A 29 -3.884 -6.440 -2.150 1.00 0.00 O ATOM 397 CB LEU A 29 -5.171 -8.752 -3.815 1.00 0.00 C ATOM 398 CG LEU A 29 -5.325 -10.263 -3.993 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.775 -10.678 -3.801 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.822 -10.693 -5.364 1.00 0.00 C ATOM 0 H LEU A 29 -3.499 -9.630 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.281 -8.304 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.687 -8.460 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.680 -8.255 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.722 -10.762 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.865 -11.756 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.102 -10.405 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.399 -10.170 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.939 -11.771 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.397 -10.185 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.769 -10.431 -5.464 1.00 0.00 H new ATOM 412 N VAL A 30 -3.579 -5.872 -4.306 1.00 0.00 N ATOM 413 CA VAL A 30 -3.566 -4.438 -4.040 1.00 0.00 C ATOM 414 C VAL A 30 -4.835 -4.002 -3.315 1.00 0.00 C ATOM 415 O VAL A 30 -4.831 -3.021 -2.572 1.00 0.00 O ATOM 416 CB VAL A 30 -3.429 -3.627 -5.342 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.338 -2.139 -5.038 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.216 -4.093 -6.134 1.00 0.00 C ATOM 0 H VAL A 30 -3.457 -6.120 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.702 -4.242 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.318 -3.795 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.242 -1.582 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.239 -1.819 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.468 -1.948 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.134 -3.509 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.316 -3.956 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.328 -5.148 -6.384 1.00 0.00 H new ATOM 428 N SER A 31 -5.919 -4.739 -3.535 1.00 0.00 N ATOM 429 CA SER A 31 -7.196 -4.427 -2.905 1.00 0.00 C ATOM 430 C SER A 31 -7.143 -4.701 -1.405 1.00 0.00 C ATOM 431 O SER A 31 -7.783 -4.010 -0.612 1.00 0.00 O ATOM 432 CB SER A 31 -8.318 -5.246 -3.546 1.00 0.00 C ATOM 433 OG SER A 31 -8.002 -6.627 -3.552 1.00 0.00 O ATOM 0 H SER A 31 -5.938 -5.556 -4.145 1.00 0.00 H new ATOM 0 HA SER A 31 -7.398 -3.367 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.248 -5.085 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.485 -4.903 -4.567 1.00 0.00 H new ATOM 0 HG SER A 31 -8.736 -7.129 -3.965 1.00 0.00 H new ATOM 439 N THR A 32 -6.375 -5.717 -1.022 1.00 0.00 N ATOM 440 CA THR A 32 -6.239 -6.085 0.381 1.00 0.00 C ATOM 441 C THR A 32 -5.052 -5.375 1.023 1.00 0.00 C ATOM 442 O THR A 32 -4.975 -5.255 2.247 1.00 0.00 O ATOM 443 CB THR A 32 -6.063 -7.606 0.548 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.037 -8.301 -0.238 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.201 -8.009 2.009 1.00 0.00 C ATOM 0 H THR A 32 -5.838 -6.299 -1.665 1.00 0.00 H new ATOM 0 HA THR A 32 -7.158 -5.775 0.879 1.00 0.00 H new ATOM 0 HB THR A 32 -5.063 -7.874 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.917 -9.267 -0.128 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.073 -9.087 2.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.439 -7.501 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.190 -7.728 2.372 1.00 0.00 H new ATOM 453 N LEU A 33 -4.130 -4.904 0.191 1.00 0.00 N ATOM 454 CA LEU A 33 -2.947 -4.203 0.678 1.00 0.00 C ATOM 455 C LEU A 33 -3.297 -2.788 1.126 1.00 0.00 C ATOM 456 O LEU A 33 -2.572 -2.176 1.911 1.00 0.00 O ATOM 457 CB LEU A 33 -1.875 -4.154 -0.412 1.00 0.00 C ATOM 458 CG LEU A 33 -1.101 -5.451 -0.652 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.621 -5.527 -2.093 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.074 -5.556 0.310 1.00 0.00 C ATOM 0 H LEU A 33 -4.179 -4.995 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.559 -4.750 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.350 -3.860 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.161 -3.371 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.771 -6.291 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.072 -6.456 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.479 -5.498 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.033 -4.681 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.614 -6.485 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.745 -4.710 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.294 -5.548 1.336 1.00 0.00 H new ATOM 472 N LYS A 34 -4.415 -2.274 0.625 1.00 0.00 N ATOM 473 CA LYS A 34 -4.866 -0.932 0.976 1.00 0.00 C ATOM 474 C LYS A 34 -5.791 -0.969 2.188 1.00 0.00 C ATOM 475 O LYS A 34 -5.682 -0.136 3.088 1.00 0.00 O ATOM 476 CB LYS A 34 -5.587 -0.288 -0.210 1.00 0.00 C ATOM 477 CG LYS A 34 -4.701 -0.095 -1.428 1.00 0.00 C ATOM 478 CD LYS A 34 -5.517 -0.039 -2.709 1.00 0.00 C ATOM 479 CE LYS A 34 -4.779 0.709 -3.809 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.713 1.248 -4.836 1.00 0.00 N ATOM 0 H LYS A 34 -5.026 -2.767 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.990 -0.335 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.440 -0.908 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.983 0.680 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.128 0.826 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.982 -0.912 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.741 -1.052 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.471 0.450 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.208 1.528 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.062 0.040 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.224 1.966 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.035 0.475 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.534 1.681 -4.366 1.00 0.00 H new ATOM 494 N GLN A 35 -6.699 -1.939 2.205 1.00 0.00 N ATOM 495 CA GLN A 35 -7.642 -2.083 3.307 1.00 0.00 C ATOM 496 C GLN A 35 -6.908 -2.207 4.639 1.00 0.00 C ATOM 497 O GLN A 35 -7.389 -1.737 5.671 1.00 0.00 O ATOM 498 CB GLN A 35 -8.533 -3.307 3.087 1.00 0.00 C ATOM 499 CG GLN A 35 -9.552 -3.126 1.974 1.00 0.00 C ATOM 500 CD GLN A 35 -10.693 -4.121 2.058 1.00 0.00 C ATOM 501 OE1 GLN A 35 -11.292 -4.307 3.118 1.00 0.00 O ATOM 502 NE2 GLN A 35 -10.999 -4.767 0.939 1.00 0.00 N ATOM 0 H GLN A 35 -6.801 -2.637 1.468 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.265 -1.189 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.904 -4.167 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.058 -3.536 4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.954 -2.114 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.054 -3.231 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.476 -4.581 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.757 -5.449 0.935 1.00 0.00 H new ATOM 511 N LEU A 36 -5.742 -2.842 4.609 1.00 0.00 N ATOM 512 CA LEU A 36 -4.941 -3.027 5.814 1.00 0.00 C ATOM 513 C LEU A 36 -4.559 -1.684 6.426 1.00 0.00 C ATOM 514 O LEU A 36 -4.573 -1.519 7.646 1.00 0.00 O ATOM 515 CB LEU A 36 -3.680 -3.831 5.493 1.00 0.00 C ATOM 516 CG LEU A 36 -3.895 -5.302 5.134 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.662 -5.870 4.447 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.234 -6.110 6.378 1.00 0.00 C ATOM 0 H LEU A 36 -5.330 -3.237 3.764 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.541 -3.577 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.166 -3.347 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.013 -3.782 6.354 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.734 -5.368 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.834 -6.917 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.463 -5.309 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.804 -5.791 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.384 -7.154 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.415 -6.036 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.146 -5.719 6.829 1.00 0.00 H new ATOM 530 N VAL A 37 -4.220 -0.724 5.571 1.00 0.00 N ATOM 531 CA VAL A 37 -3.837 0.607 6.027 1.00 0.00 C ATOM 532 C VAL A 37 -5.059 1.501 6.199 1.00 0.00 C ATOM 533 O VAL A 37 -5.026 2.478 6.947 1.00 0.00 O ATOM 534 CB VAL A 37 -2.858 1.277 5.044 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.473 2.664 5.537 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.624 0.410 4.848 1.00 0.00 C ATOM 0 H VAL A 37 -4.203 -0.844 4.558 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.343 0.482 6.991 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.355 1.385 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.781 3.122 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.367 3.281 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.994 2.583 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.943 0.898 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.123 0.269 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.920 -0.559 4.447 1.00 0.00 H new ATOM 546 N SER A 38 -6.139 1.160 5.502 1.00 0.00 N ATOM 547 CA SER A 38 -7.372 1.934 5.575 1.00 0.00 C ATOM 548 C SER A 38 -7.862 2.041 7.016 1.00 0.00 C ATOM 549 O SER A 38 -8.202 3.126 7.488 1.00 0.00 O ATOM 550 CB SER A 38 -8.454 1.293 4.704 1.00 0.00 C ATOM 551 OG SER A 38 -9.091 0.226 5.385 1.00 0.00 O ATOM 0 H SER A 38 -6.184 0.353 4.880 1.00 0.00 H new ATOM 0 HA SER A 38 -7.164 2.938 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.193 2.044 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.010 0.925 3.779 1.00 0.00 H new ATOM 0 HG SER A 38 -8.446 -0.496 5.538 1.00 0.00 H new ATOM 557 N GLU A 39 -7.893 0.908 7.710 1.00 0.00 N ATOM 558 CA GLU A 39 -8.342 0.874 9.097 1.00 0.00 C ATOM 559 C GLU A 39 -7.314 1.526 10.017 1.00 0.00 C ATOM 560 O GLU A 39 -7.658 2.348 10.867 1.00 0.00 O ATOM 561 CB GLU A 39 -8.596 -0.569 9.539 1.00 0.00 C ATOM 562 CG GLU A 39 -7.383 -1.473 9.392 1.00 0.00 C ATOM 563 CD GLU A 39 -7.705 -2.929 9.665 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.676 -3.444 9.072 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.985 -3.554 10.472 1.00 0.00 O ATOM 0 H GLU A 39 -7.613 0.002 7.335 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.273 1.436 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.915 -0.570 10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.418 -0.980 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.982 -1.376 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.603 -1.142 10.078 1.00 0.00 H new ATOM 572 N LYS A 40 -6.051 1.154 9.842 1.00 0.00 N ATOM 573 CA LYS A 40 -4.971 1.701 10.654 1.00 0.00 C ATOM 574 C LYS A 40 -5.071 3.221 10.739 1.00 0.00 C ATOM 575 O LYS A 40 -5.287 3.780 11.815 1.00 0.00 O ATOM 576 CB LYS A 40 -3.614 1.301 10.072 1.00 0.00 C ATOM 577 CG LYS A 40 -3.188 -0.111 10.437 1.00 0.00 C ATOM 578 CD LYS A 40 -2.640 -0.180 11.853 1.00 0.00 C ATOM 579 CE LYS A 40 -1.910 -1.490 12.104 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.479 -1.415 11.698 1.00 0.00 N ATOM 0 H LYS A 40 -5.750 0.474 9.144 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.063 1.291 11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.653 1.391 8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.857 2.002 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.040 -0.785 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.429 -0.456 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.960 0.655 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.457 -0.075 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.974 -1.745 13.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.402 -2.291 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.092 -2.376 11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.403 -0.926 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.059 -0.890 12.417 1.00 0.00 H new ATOM 594 N LEU A 41 -4.914 3.884 9.598 1.00 0.00 N ATOM 595 CA LEU A 41 -4.989 5.340 9.544 1.00 0.00 C ATOM 596 C LEU A 41 -6.439 5.813 9.579 1.00 0.00 C ATOM 597 O LEU A 41 -6.710 7.013 9.581 1.00 0.00 O ATOM 598 CB LEU A 41 -4.302 5.858 8.279 1.00 0.00 C ATOM 599 CG LEU A 41 -2.809 5.551 8.152 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.301 5.936 6.771 1.00 0.00 C ATOM 601 CD2 LEU A 41 -2.022 6.277 9.234 1.00 0.00 C ATOM 0 H LEU A 41 -4.734 3.437 8.699 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.476 5.739 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.814 5.437 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.435 6.939 8.234 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.665 4.479 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.237 5.711 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.844 5.371 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.458 7.003 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.962 6.047 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.172 7.352 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.368 5.952 10.215 1.00 0.00 H new ATOM 613 N ASN A 42 -7.366 4.861 9.608 1.00 0.00 N ATOM 614 CA ASN A 42 -8.788 5.181 9.645 1.00 0.00 C ATOM 615 C ASN A 42 -9.204 5.955 8.398 1.00 0.00 C ATOM 616 O ASN A 42 -10.125 6.772 8.440 1.00 0.00 O ATOM 617 CB ASN A 42 -9.117 5.995 10.898 1.00 0.00 C ATOM 618 CG ASN A 42 -9.432 5.115 12.092 1.00 0.00 C ATOM 619 OD1 ASN A 42 -9.400 3.888 12.000 1.00 0.00 O ATOM 620 ND2 ASN A 42 -9.740 5.741 13.223 1.00 0.00 N ATOM 0 H ASN A 42 -7.158 3.862 9.607 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.345 4.244 9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.274 6.642 11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.969 6.644 10.693 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.962 5.202 14.060 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.754 6.760 13.254 1.00 0.00 H new ATOM 627 N VAL A 43 -8.520 5.692 7.289 1.00 0.00 N ATOM 628 CA VAL A 43 -8.820 6.362 6.029 1.00 0.00 C ATOM 629 C VAL A 43 -9.425 5.392 5.021 1.00 0.00 C ATOM 630 O VAL A 43 -8.978 4.255 4.870 1.00 0.00 O ATOM 631 CB VAL A 43 -7.557 6.999 5.419 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.910 7.791 4.168 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.860 7.884 6.441 1.00 0.00 C ATOM 0 H VAL A 43 -7.755 5.020 7.237 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.543 7.147 6.251 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.870 6.202 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.006 8.234 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.362 7.126 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.616 8.581 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.970 8.326 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.538 8.676 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.572 7.285 7.305 1.00 0.00 H new ATOM 643 N PRO A 44 -10.467 5.850 4.311 1.00 0.00 N ATOM 644 CA PRO A 44 -11.156 5.039 3.303 1.00 0.00 C ATOM 645 C PRO A 44 -10.296 4.797 2.068 1.00 0.00 C ATOM 646 O PRO A 44 -9.706 5.727 1.517 1.00 0.00 O ATOM 647 CB PRO A 44 -12.381 5.884 2.945 1.00 0.00 C ATOM 648 CG PRO A 44 -11.980 7.285 3.258 1.00 0.00 C ATOM 649 CD PRO A 44 -11.053 7.196 4.438 1.00 0.00 C ATOM 0 HA PRO A 44 -11.402 4.045 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.645 5.773 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.253 5.583 3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.483 7.749 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.851 7.897 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.288 7.972 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.589 7.314 5.380 1.00 0.00 H new ATOM 657 N VAL A 45 -10.229 3.541 1.636 1.00 0.00 N ATOM 658 CA VAL A 45 -9.442 3.177 0.464 1.00 0.00 C ATOM 659 C VAL A 45 -9.894 3.956 -0.766 1.00 0.00 C ATOM 660 O VAL A 45 -9.126 4.148 -1.709 1.00 0.00 O ATOM 661 CB VAL A 45 -9.542 1.668 0.168 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.511 1.259 -0.872 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.370 0.862 1.447 1.00 0.00 C ATOM 0 H VAL A 45 -10.710 2.759 2.080 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.405 3.428 0.688 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.533 1.459 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.596 0.190 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.686 1.813 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.511 1.481 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.443 -0.201 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.393 1.073 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.150 1.136 2.157 1.00 0.00 H new ATOM 673 N ARG A 46 -11.146 4.403 -0.749 1.00 0.00 N ATOM 674 CA ARG A 46 -11.701 5.162 -1.863 1.00 0.00 C ATOM 675 C ARG A 46 -10.923 6.456 -2.081 1.00 0.00 C ATOM 676 O ARG A 46 -11.076 7.117 -3.108 1.00 0.00 O ATOM 677 CB ARG A 46 -13.176 5.477 -1.608 1.00 0.00 C ATOM 678 CG ARG A 46 -14.126 4.410 -2.129 1.00 0.00 C ATOM 679 CD ARG A 46 -15.470 5.004 -2.521 1.00 0.00 C ATOM 680 NE ARG A 46 -16.206 4.136 -3.435 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.797 3.007 -3.060 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.738 2.612 -1.796 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.449 2.270 -3.951 1.00 0.00 N ATOM 0 H ARG A 46 -11.795 4.253 0.024 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.617 4.553 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.333 5.599 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.421 6.430 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.680 3.914 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.273 3.647 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.066 5.175 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.314 5.975 -2.990 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.270 4.411 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.238 3.175 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.193 1.745 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.496 2.570 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.902 1.403 -3.662 1.00 0.00 H new ATOM 697 N GLN A 47 -10.091 6.811 -1.107 1.00 0.00 N ATOM 698 CA GLN A 47 -9.291 8.027 -1.193 1.00 0.00 C ATOM 699 C GLN A 47 -7.806 7.696 -1.294 1.00 0.00 C ATOM 700 O GLN A 47 -7.208 7.805 -2.364 1.00 0.00 O ATOM 701 CB GLN A 47 -9.545 8.917 0.025 1.00 0.00 C ATOM 702 CG GLN A 47 -10.817 9.742 -0.079 1.00 0.00 C ATOM 703 CD GLN A 47 -10.953 10.750 1.046 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.587 10.477 2.065 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.357 11.922 0.866 1.00 0.00 N ATOM 0 H GLN A 47 -9.954 6.275 -0.250 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.587 8.563 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.599 8.292 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.696 9.588 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.828 10.266 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.679 9.076 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.842 12.105 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.414 12.640 1.589 1.00 0.00 H new ATOM 714 N GLN A 48 -7.217 7.291 -0.174 1.00 0.00 N ATOM 715 CA GLN A 48 -5.801 6.945 -0.137 1.00 0.00 C ATOM 716 C GLN A 48 -5.424 6.070 -1.328 1.00 0.00 C ATOM 717 O GLN A 48 -6.213 5.236 -1.772 1.00 0.00 O ATOM 718 CB GLN A 48 -5.464 6.223 1.169 1.00 0.00 C ATOM 719 CG GLN A 48 -5.915 4.771 1.195 1.00 0.00 C ATOM 720 CD GLN A 48 -5.307 3.992 2.345 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.339 4.433 2.965 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.873 2.827 2.635 1.00 0.00 N ATOM 0 H GLN A 48 -7.698 7.194 0.720 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.225 7.869 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.387 6.263 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.930 6.754 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.002 4.733 1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.644 4.293 0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.674 2.501 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.507 2.258 3.399 1.00 0.00 H new ATOM 731 N ARG A 49 -4.213 6.265 -1.840 1.00 0.00 N ATOM 732 CA ARG A 49 -3.732 5.495 -2.980 1.00 0.00 C ATOM 733 C ARG A 49 -2.285 5.058 -2.770 1.00 0.00 C ATOM 734 O ARG A 49 -1.472 5.807 -2.227 1.00 0.00 O ATOM 735 CB ARG A 49 -3.845 6.319 -4.264 1.00 0.00 C ATOM 736 CG ARG A 49 -3.377 5.579 -5.506 1.00 0.00 C ATOM 737 CD ARG A 49 -3.861 6.261 -6.776 1.00 0.00 C ATOM 738 NE ARG A 49 -3.630 5.438 -7.961 1.00 0.00 N ATOM 739 CZ ARG A 49 -4.329 5.555 -9.085 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.298 6.456 -9.176 1.00 0.00 N ATOM 741 NH2 ARG A 49 -4.060 4.771 -10.120 1.00 0.00 N ATOM 0 H ARG A 49 -3.547 6.950 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.353 4.604 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.883 6.621 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.259 7.231 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.288 5.528 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.744 4.553 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.925 6.479 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.349 7.216 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.892 4.735 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.508 7.061 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.833 6.544 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.316 4.077 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.598 4.862 -10.982 1.00 0.00 H new ATOM 755 N LEU A 50 -1.972 3.841 -3.201 1.00 0.00 N ATOM 756 CA LEU A 50 -0.623 3.303 -3.060 1.00 0.00 C ATOM 757 C LEU A 50 0.213 3.595 -4.302 1.00 0.00 C ATOM 758 O LEU A 50 -0.291 3.556 -5.426 1.00 0.00 O ATOM 759 CB LEU A 50 -0.678 1.795 -2.811 1.00 0.00 C ATOM 760 CG LEU A 50 -1.359 1.353 -1.515 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.504 -0.160 -1.478 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.578 1.846 -0.307 1.00 0.00 C ATOM 0 H LEU A 50 -2.634 3.208 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.152 3.789 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.196 1.327 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.342 1.409 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.355 1.794 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.991 -0.456 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.107 -0.488 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.518 -0.621 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.077 1.522 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.431 1.435 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.527 2.935 -0.326 1.00 0.00 H new ATOM 774 N LEU A 51 1.492 3.885 -4.094 1.00 0.00 N ATOM 775 CA LEU A 51 2.399 4.181 -5.197 1.00 0.00 C ATOM 776 C LEU A 51 3.740 3.480 -5.002 1.00 0.00 C ATOM 777 O LEU A 51 4.219 3.335 -3.878 1.00 0.00 O ATOM 778 CB LEU A 51 2.613 5.691 -5.317 1.00 0.00 C ATOM 779 CG LEU A 51 1.534 6.463 -6.078 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.688 7.959 -5.851 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.594 6.138 -7.563 1.00 0.00 C ATOM 0 H LEU A 51 1.925 3.922 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 51 1.946 3.810 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.690 6.108 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.570 5.864 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 51 0.559 6.157 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.912 8.492 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.595 8.177 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.668 8.281 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.819 6.696 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.572 6.415 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.434 5.070 -7.708 1.00 0.00 H new ATOM 793 N PHE A 52 4.342 3.049 -6.106 1.00 0.00 N ATOM 794 CA PHE A 52 5.629 2.365 -6.057 1.00 0.00 C ATOM 795 C PHE A 52 6.606 2.972 -7.060 1.00 0.00 C ATOM 796 O PHE A 52 6.514 2.724 -8.262 1.00 0.00 O ATOM 797 CB PHE A 52 5.448 0.873 -6.343 1.00 0.00 C ATOM 798 CG PHE A 52 6.730 0.092 -6.286 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.415 -0.056 -5.091 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.250 -0.495 -7.429 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.595 -0.773 -5.036 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.429 -1.214 -7.380 1.00 0.00 C ATOM 803 CZ PHE A 52 9.102 -1.354 -6.182 1.00 0.00 C ATOM 0 H PHE A 52 3.959 3.161 -7.045 1.00 0.00 H new ATOM 0 HA PHE A 52 6.041 2.489 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.745 0.456 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.002 0.752 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.022 0.394 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.728 -0.389 -8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.120 -0.879 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.824 -1.666 -8.278 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.023 -1.917 -6.141 1.00 0.00 H new ATOM 813 N LYS A 53 7.543 3.768 -6.556 1.00 0.00 N ATOM 814 CA LYS A 53 8.539 4.411 -7.406 1.00 0.00 C ATOM 815 C LYS A 53 7.874 5.344 -8.413 1.00 0.00 C ATOM 816 O LYS A 53 8.406 5.585 -9.495 1.00 0.00 O ATOM 817 CB LYS A 53 9.368 3.357 -8.142 1.00 0.00 C ATOM 818 CG LYS A 53 10.486 2.766 -7.300 1.00 0.00 C ATOM 819 CD LYS A 53 11.665 2.341 -8.159 1.00 0.00 C ATOM 820 CE LYS A 53 11.451 0.958 -8.756 1.00 0.00 C ATOM 821 NZ LYS A 53 10.596 1.007 -9.974 1.00 0.00 N ATOM 0 H LYS A 53 7.634 3.983 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 53 9.197 5.002 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.709 2.554 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.797 3.805 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.816 3.500 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.110 1.906 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.812 3.065 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.574 2.342 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.416 0.517 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.988 0.309 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.804 0.186 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.594 0.987 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.792 1.882 -10.501 1.00 0.00 H new ATOM 835 N GLY A 54 6.708 5.868 -8.047 1.00 0.00 N ATOM 836 CA GLY A 54 5.991 6.770 -8.930 1.00 0.00 C ATOM 837 C GLY A 54 5.065 6.038 -9.881 1.00 0.00 C ATOM 838 O GLY A 54 4.581 6.614 -10.855 1.00 0.00 O ATOM 0 H GLY A 54 6.247 5.684 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.411 7.473 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.708 7.356 -9.505 1.00 0.00 H new ATOM 842 N LYS A 55 4.820 4.762 -9.600 1.00 0.00 N ATOM 843 CA LYS A 55 3.947 3.948 -10.437 1.00 0.00 C ATOM 844 C LYS A 55 2.613 3.691 -9.743 1.00 0.00 C ATOM 845 O LYS A 55 2.572 3.161 -8.634 1.00 0.00 O ATOM 846 CB LYS A 55 4.624 2.617 -10.773 1.00 0.00 C ATOM 847 CG LYS A 55 4.205 2.043 -12.115 1.00 0.00 C ATOM 848 CD LYS A 55 2.827 1.408 -12.044 1.00 0.00 C ATOM 849 CE LYS A 55 2.125 1.445 -13.393 1.00 0.00 C ATOM 850 NZ LYS A 55 1.818 2.838 -13.820 1.00 0.00 N ATOM 0 H LYS A 55 5.214 4.270 -8.798 1.00 0.00 H new ATOM 0 HA LYS A 55 3.757 4.495 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.705 2.758 -10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.394 1.894 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.204 2.833 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.933 1.299 -12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.918 0.375 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.222 1.931 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.754 0.965 -14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.201 0.870 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.899 2.857 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.781 3.457 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.559 3.174 -14.467 1.00 0.00 H new ATOM 864 N ALA A 56 1.525 4.069 -10.406 1.00 0.00 N ATOM 865 CA ALA A 56 0.190 3.876 -9.854 1.00 0.00 C ATOM 866 C ALA A 56 -0.208 2.404 -9.881 1.00 0.00 C ATOM 867 O ALA A 56 -0.162 1.757 -10.928 1.00 0.00 O ATOM 868 CB ALA A 56 -0.824 4.713 -10.620 1.00 0.00 C ATOM 0 H ALA A 56 1.542 4.510 -11.325 1.00 0.00 H new ATOM 0 HA ALA A 56 0.203 4.203 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.817 4.559 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.557 5.767 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.826 4.413 -11.668 1.00 0.00 H new ATOM 874 N LEU A 57 -0.597 1.880 -8.724 1.00 0.00 N ATOM 875 CA LEU A 57 -1.002 0.483 -8.615 1.00 0.00 C ATOM 876 C LEU A 57 -2.519 0.347 -8.708 1.00 0.00 C ATOM 877 O LEU A 57 -3.259 1.100 -8.077 1.00 0.00 O ATOM 878 CB LEU A 57 -0.506 -0.111 -7.296 1.00 0.00 C ATOM 879 CG LEU A 57 0.884 0.335 -6.839 1.00 0.00 C ATOM 880 CD1 LEU A 57 1.254 -0.333 -5.524 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.921 0.024 -7.908 1.00 0.00 C ATOM 0 H LEU A 57 -0.641 2.401 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.555 -0.065 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.222 0.143 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.505 -1.197 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 57 0.865 1.413 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.246 -0.003 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.526 -0.060 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.255 -1.415 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.904 0.348 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.938 -1.049 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.665 0.550 -8.827 1.00 0.00 H new ATOM 893 N ALA A 58 -2.974 -0.621 -9.498 1.00 0.00 N ATOM 894 CA ALA A 58 -4.401 -0.858 -9.670 1.00 0.00 C ATOM 895 C ALA A 58 -4.943 -1.769 -8.573 1.00 0.00 C ATOM 896 O ALA A 58 -4.211 -2.587 -8.015 1.00 0.00 O ATOM 897 CB ALA A 58 -4.675 -1.460 -11.040 1.00 0.00 C ATOM 0 H ALA A 58 -2.374 -1.253 -10.028 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.914 0.101 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.745 -1.632 -11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.333 -0.773 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.143 -2.407 -11.134 1.00 0.00 H new ATOM 903 N ASP A 59 -6.227 -1.622 -8.268 1.00 0.00 N ATOM 904 CA ASP A 59 -6.866 -2.431 -7.238 1.00 0.00 C ATOM 905 C ASP A 59 -7.353 -3.758 -7.813 1.00 0.00 C ATOM 906 O ASP A 59 -8.530 -4.099 -7.702 1.00 0.00 O ATOM 907 CB ASP A 59 -8.038 -1.670 -6.615 1.00 0.00 C ATOM 908 CG ASP A 59 -8.979 -1.101 -7.659 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.928 -1.811 -8.052 1.00 0.00 O ATOM 910 OD2 ASP A 59 -8.766 0.054 -8.083 1.00 0.00 O ATOM 0 H ASP A 59 -6.846 -0.949 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.127 -2.640 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.592 -2.338 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.653 -0.859 -5.996 1.00 0.00 H new ATOM 915 N GLY A 60 -6.439 -4.501 -8.429 1.00 0.00 N ATOM 916 CA GLY A 60 -6.795 -5.781 -9.013 1.00 0.00 C ATOM 917 C GLY A 60 -5.601 -6.703 -9.161 1.00 0.00 C ATOM 918 O GLY A 60 -5.699 -7.904 -8.912 1.00 0.00 O ATOM 0 H GLY A 60 -5.459 -4.240 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.548 -6.264 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.247 -5.617 -9.991 1.00 0.00 H new ATOM 922 N LYS A 61 -4.468 -6.140 -9.570 1.00 0.00 N ATOM 923 CA LYS A 61 -3.249 -6.919 -9.752 1.00 0.00 C ATOM 924 C LYS A 61 -2.548 -7.152 -8.417 1.00 0.00 C ATOM 925 O LYS A 61 -3.006 -6.684 -7.375 1.00 0.00 O ATOM 926 CB LYS A 61 -2.302 -6.204 -10.719 1.00 0.00 C ATOM 927 CG LYS A 61 -2.916 -5.935 -12.082 1.00 0.00 C ATOM 928 CD LYS A 61 -1.854 -5.860 -13.167 1.00 0.00 C ATOM 929 CE LYS A 61 -2.402 -5.237 -14.442 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.362 -5.138 -15.502 1.00 0.00 N ATOM 0 H LYS A 61 -4.369 -5.147 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.525 -7.886 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.991 -5.258 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.403 -6.807 -10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.629 -6.724 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.474 -4.999 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.008 -5.274 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.480 -6.861 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.238 -5.834 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.792 -4.243 -14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.775 -4.708 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.576 -4.548 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.008 -6.089 -15.730 1.00 0.00 H new ATOM 944 N ARG A 62 -1.434 -7.876 -8.458 1.00 0.00 N ATOM 945 CA ARG A 62 -0.670 -8.170 -7.251 1.00 0.00 C ATOM 946 C ARG A 62 0.699 -7.498 -7.297 1.00 0.00 C ATOM 947 O ARG A 62 1.296 -7.354 -8.365 1.00 0.00 O ATOM 948 CB ARG A 62 -0.503 -9.682 -7.084 1.00 0.00 C ATOM 949 CG ARG A 62 -1.774 -10.469 -7.355 1.00 0.00 C ATOM 950 CD ARG A 62 -1.545 -11.965 -7.210 1.00 0.00 C ATOM 951 NE ARG A 62 -2.459 -12.742 -8.043 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.676 -14.043 -7.880 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.047 -14.708 -6.921 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.523 -14.681 -8.678 1.00 0.00 N ATOM 0 H ARG A 62 -1.041 -8.269 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.220 -7.775 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.280 -10.029 -7.758 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.165 -9.892 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.555 -10.151 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.131 -10.250 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.516 -12.202 -7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.673 -12.252 -6.166 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.958 -12.260 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.395 -14.221 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.215 -15.706 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.008 -14.173 -9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.689 -15.680 -8.552 1.00 0.00 H new ATOM 968 N LEU A 63 1.190 -7.088 -6.133 1.00 0.00 N ATOM 969 CA LEU A 63 2.489 -6.431 -6.040 1.00 0.00 C ATOM 970 C LEU A 63 3.559 -7.231 -6.776 1.00 0.00 C ATOM 971 O LEU A 63 4.392 -6.667 -7.484 1.00 0.00 O ATOM 972 CB LEU A 63 2.888 -6.251 -4.574 1.00 0.00 C ATOM 973 CG LEU A 63 2.017 -5.300 -3.753 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.348 -5.416 -2.273 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.195 -3.867 -4.230 1.00 0.00 C ATOM 0 H LEU A 63 0.709 -7.199 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 63 2.407 -5.451 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.877 -7.229 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.916 -5.891 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 63 0.973 -5.581 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.718 -4.732 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.168 -6.438 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.396 -5.162 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.567 -3.205 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.239 -3.574 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.906 -3.794 -5.279 1.00 0.00 H new ATOM 987 N SER A 64 3.527 -8.549 -6.604 1.00 0.00 N ATOM 988 CA SER A 64 4.495 -9.427 -7.251 1.00 0.00 C ATOM 989 C SER A 64 4.580 -9.135 -8.746 1.00 0.00 C ATOM 990 O SER A 64 5.644 -9.258 -9.354 1.00 0.00 O ATOM 991 CB SER A 64 4.116 -10.892 -7.027 1.00 0.00 C ATOM 992 OG SER A 64 4.559 -11.704 -8.100 1.00 0.00 O ATOM 0 H SER A 64 2.842 -9.032 -6.023 1.00 0.00 H new ATOM 0 HA SER A 64 5.472 -9.240 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.555 -11.246 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.034 -10.979 -6.924 1.00 0.00 H new ATOM 0 HG SER A 64 4.306 -12.636 -7.932 1.00 0.00 H new ATOM 998 N ASP A 65 3.453 -8.746 -9.331 1.00 0.00 N ATOM 999 CA ASP A 65 3.398 -8.435 -10.755 1.00 0.00 C ATOM 1000 C ASP A 65 4.147 -7.140 -11.057 1.00 0.00 C ATOM 1001 O ASP A 65 4.756 -6.997 -12.117 1.00 0.00 O ATOM 1002 CB ASP A 65 1.945 -8.318 -11.218 1.00 0.00 C ATOM 1003 CG ASP A 65 1.825 -8.218 -12.726 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.690 -7.569 -13.348 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.864 -8.789 -13.283 1.00 0.00 O ATOM 0 H ASP A 65 2.565 -8.638 -8.841 1.00 0.00 H new ATOM 0 HA ASP A 65 3.879 -9.248 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.384 -9.185 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.491 -7.439 -10.761 1.00 0.00 H new ATOM 1010 N TYR A 66 4.096 -6.201 -10.119 1.00 0.00 N ATOM 1011 CA TYR A 66 4.766 -4.917 -10.286 1.00 0.00 C ATOM 1012 C TYR A 66 6.258 -5.039 -9.993 1.00 0.00 C ATOM 1013 O TYR A 66 6.996 -4.055 -10.051 1.00 0.00 O ATOM 1014 CB TYR A 66 4.139 -3.867 -9.368 1.00 0.00 C ATOM 1015 CG TYR A 66 2.761 -3.426 -9.805 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.596 -2.537 -10.860 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.622 -3.898 -9.163 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.338 -2.131 -11.262 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.361 -3.499 -9.559 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.224 -2.615 -10.609 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.031 -2.213 -11.008 1.00 0.00 O ATOM 0 H TYR A 66 3.598 -6.305 -9.235 1.00 0.00 H new ATOM 0 HA TYR A 66 4.642 -4.604 -11.323 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.079 -4.270 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.793 -2.996 -9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.466 -2.157 -11.375 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.725 -4.589 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.228 -1.438 -12.083 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.513 -3.877 -9.050 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.676 -2.929 -10.830 1.00 0.00 H new ATOM 1031 N SER A 67 6.696 -6.254 -9.679 1.00 0.00 N ATOM 1032 CA SER A 67 8.099 -6.507 -9.374 1.00 0.00 C ATOM 1033 C SER A 67 8.488 -5.872 -8.042 1.00 0.00 C ATOM 1034 O SER A 67 9.638 -5.482 -7.840 1.00 0.00 O ATOM 1035 CB SER A 67 8.992 -5.963 -10.491 1.00 0.00 C ATOM 1036 OG SER A 67 10.315 -6.455 -10.372 1.00 0.00 O ATOM 0 H SER A 67 6.099 -7.079 -9.629 1.00 0.00 H new ATOM 0 HA SER A 67 8.240 -7.585 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.581 -6.247 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.001 -4.874 -10.455 1.00 0.00 H new ATOM 0 HG SER A 67 10.655 -6.266 -9.472 1.00 0.00 H new ATOM 1042 N ILE A 68 7.520 -5.772 -7.137 1.00 0.00 N ATOM 1043 CA ILE A 68 7.761 -5.186 -5.824 1.00 0.00 C ATOM 1044 C ILE A 68 8.145 -6.255 -4.807 1.00 0.00 C ATOM 1045 O ILE A 68 7.287 -6.964 -4.282 1.00 0.00 O ATOM 1046 CB ILE A 68 6.523 -4.427 -5.311 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.268 -3.186 -6.169 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.706 -4.039 -3.852 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.872 -2.623 -6.017 1.00 0.00 C ATOM 0 H ILE A 68 6.562 -6.089 -7.289 1.00 0.00 H new ATOM 0 HA ILE A 68 8.587 -4.484 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 68 5.656 -5.083 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.992 -2.416 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.438 -3.437 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.823 -3.503 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.845 -4.938 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.582 -3.397 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.762 -1.745 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.142 -3.377 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.705 -2.340 -4.978 1.00 0.00 H new ATOM 1061 N GLY A 69 9.441 -6.365 -4.531 1.00 0.00 N ATOM 1062 CA GLY A 69 9.916 -7.348 -3.576 1.00 0.00 C ATOM 1063 C GLY A 69 9.692 -6.918 -2.140 1.00 0.00 C ATOM 1064 O GLY A 69 8.948 -5.977 -1.860 1.00 0.00 O ATOM 0 H GLY A 69 10.171 -5.790 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.407 -8.296 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.980 -7.523 -3.738 1.00 0.00 H new ATOM 1068 N PRO A 70 10.345 -7.616 -1.200 1.00 0.00 N ATOM 1069 CA PRO A 70 10.228 -7.320 0.231 1.00 0.00 C ATOM 1070 C PRO A 70 10.898 -6.002 0.606 1.00 0.00 C ATOM 1071 O PRO A 70 11.605 -5.402 -0.202 1.00 0.00 O ATOM 1072 CB PRO A 70 10.949 -8.494 0.897 1.00 0.00 C ATOM 1073 CG PRO A 70 11.912 -8.980 -0.132 1.00 0.00 C ATOM 1074 CD PRO A 70 11.248 -8.750 -1.461 1.00 0.00 C ATOM 0 HA PRO A 70 9.189 -7.210 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.465 -8.179 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.248 -9.278 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.856 -8.440 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.139 -10.036 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.975 -8.514 -2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.700 -9.631 -1.794 1.00 0.00 H new ATOM 1082 N ASN A 71 10.669 -5.557 1.838 1.00 0.00 N ATOM 1083 CA ASN A 71 11.251 -4.310 2.320 1.00 0.00 C ATOM 1084 C ASN A 71 11.067 -3.193 1.297 1.00 0.00 C ATOM 1085 O ASN A 71 12.007 -2.463 0.984 1.00 0.00 O ATOM 1086 CB ASN A 71 12.738 -4.500 2.623 1.00 0.00 C ATOM 1087 CG ASN A 71 12.973 -5.335 3.866 1.00 0.00 C ATOM 1088 OD1 ASN A 71 12.163 -6.196 4.211 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.085 -5.084 4.546 1.00 0.00 N ATOM 0 H ASN A 71 10.085 -6.041 2.520 1.00 0.00 H new ATOM 0 HA ASN A 71 10.734 -4.027 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.221 -4.978 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.208 -3.525 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.296 -5.614 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.728 -4.361 4.223 1.00 0.00 H new ATOM 1096 N SER A 72 9.849 -3.066 0.780 1.00 0.00 N ATOM 1097 CA SER A 72 9.542 -2.040 -0.211 1.00 0.00 C ATOM 1098 C SER A 72 8.783 -0.880 0.426 1.00 0.00 C ATOM 1099 O SER A 72 7.791 -1.081 1.127 1.00 0.00 O ATOM 1100 CB SER A 72 8.720 -2.636 -1.355 1.00 0.00 C ATOM 1101 OG SER A 72 9.560 -3.182 -2.356 1.00 0.00 O ATOM 0 H SER A 72 9.059 -3.660 1.031 1.00 0.00 H new ATOM 0 HA SER A 72 10.483 -1.661 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.060 -3.412 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.084 -1.865 -1.790 1.00 0.00 H new ATOM 0 HG SER A 72 9.502 -4.160 -2.334 1.00 0.00 H new ATOM 1107 N LYS A 73 9.257 0.336 0.178 1.00 0.00 N ATOM 1108 CA LYS A 73 8.625 1.531 0.724 1.00 0.00 C ATOM 1109 C LYS A 73 7.682 2.162 -0.295 1.00 0.00 C ATOM 1110 O LYS A 73 8.122 2.714 -1.305 1.00 0.00 O ATOM 1111 CB LYS A 73 9.688 2.547 1.149 1.00 0.00 C ATOM 1112 CG LYS A 73 10.159 2.371 2.582 1.00 0.00 C ATOM 1113 CD LYS A 73 10.874 3.612 3.090 1.00 0.00 C ATOM 1114 CE LYS A 73 11.310 3.449 4.538 1.00 0.00 C ATOM 1115 NZ LYS A 73 11.340 4.753 5.258 1.00 0.00 N ATOM 0 H LYS A 73 10.078 0.520 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 73 8.043 1.237 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.545 2.464 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.286 3.553 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.304 2.154 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.829 1.513 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.745 3.812 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.214 4.475 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.629 2.768 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.300 2.993 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.642 4.600 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.009 5.395 4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.390 5.176 5.249 1.00 0.00 H new ATOM 1129 N LEU A 74 6.384 2.078 -0.025 1.00 0.00 N ATOM 1130 CA LEU A 74 5.378 2.643 -0.918 1.00 0.00 C ATOM 1131 C LEU A 74 4.939 4.023 -0.440 1.00 0.00 C ATOM 1132 O LEU A 74 5.208 4.412 0.696 1.00 0.00 O ATOM 1133 CB LEU A 74 4.167 1.713 -1.008 1.00 0.00 C ATOM 1134 CG LEU A 74 4.376 0.412 -1.785 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.408 -0.658 -1.305 1.00 0.00 C ATOM 1136 CD2 LEU A 74 4.212 0.652 -3.279 1.00 0.00 C ATOM 0 H LEU A 74 6.003 1.624 0.805 1.00 0.00 H new ATOM 0 HA LEU A 74 5.823 2.746 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.851 1.461 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.346 2.261 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 74 5.392 0.061 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.572 -1.576 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.574 -0.849 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.384 -0.317 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.364 -0.284 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.208 1.027 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.946 1.385 -3.612 1.00 0.00 H new ATOM 1148 N ASN A 75 4.259 4.758 -1.314 1.00 0.00 N ATOM 1149 CA ASN A 75 3.781 6.095 -0.981 1.00 0.00 C ATOM 1150 C ASN A 75 2.259 6.118 -0.879 1.00 0.00 C ATOM 1151 O ASN A 75 1.569 5.346 -1.547 1.00 0.00 O ATOM 1152 CB ASN A 75 4.248 7.104 -2.032 1.00 0.00 C ATOM 1153 CG ASN A 75 4.430 8.495 -1.457 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.743 9.437 -1.853 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.359 8.631 -0.517 1.00 0.00 N ATOM 0 H ASN A 75 4.027 4.450 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 75 4.197 6.372 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.190 6.766 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.522 7.142 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.526 9.544 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.905 7.823 -0.219 1.00 0.00 H new ATOM 1162 N LEU A 76 1.741 7.008 -0.040 1.00 0.00 N ATOM 1163 CA LEU A 76 0.300 7.134 0.149 1.00 0.00 C ATOM 1164 C LEU A 76 -0.184 8.521 -0.258 1.00 0.00 C ATOM 1165 O LEU A 76 0.294 9.533 0.255 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.068 6.861 1.609 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.518 6.450 1.870 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.819 5.109 1.218 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.795 6.393 3.365 1.00 0.00 C ATOM 0 H LEU A 76 2.298 7.653 0.521 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.191 6.398 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.585 6.074 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.145 7.758 2.190 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.173 7.200 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.855 4.833 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.661 5.184 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.157 4.347 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.831 6.099 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.131 5.664 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.621 7.375 3.805 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.138 8.562 -1.183 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.690 9.825 -1.657 1.00 0.00 C ATOM 1183 C VAL A 77 -3.175 9.934 -1.329 1.00 0.00 C ATOM 1184 O VAL A 77 -3.946 9.006 -1.574 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.499 9.986 -3.177 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.657 11.443 -3.584 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.140 9.450 -3.602 1.00 0.00 C ATOM 0 H VAL A 77 -1.545 7.734 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.148 10.619 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.269 9.406 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.519 11.537 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.655 11.790 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.911 12.048 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.021 9.571 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.646 10.001 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.070 8.393 -3.346 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.571 11.075 -0.772 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.964 11.306 -0.411 1.00 0.00 C ATOM 1199 C VAL A 78 -5.710 12.024 -1.530 1.00 0.00 C ATOM 1200 O VAL A 78 -5.653 13.249 -1.643 1.00 0.00 O ATOM 1201 CB VAL A 78 -5.078 12.136 0.882 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.538 12.391 1.225 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -4.366 11.435 2.029 1.00 0.00 C ATOM 0 H VAL A 78 -2.946 11.853 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.415 10.327 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.594 13.099 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.599 12.979 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.013 12.938 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.049 11.439 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.456 12.035 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.818 10.457 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.312 11.310 1.781 1.00 0.00 H new