USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 55 THR OG1 : rot -72:sc= 0.97 USER MOD Set 1.2: A 57 SER OG : rot -40:sc= 0.00948 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.628! USER MOD Set 2.2: A 9 THR OG1 : rot -157:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.765 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0658 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 62:sc= 1.04 USER MOD Single : A 14 THR OG1 : rot -13:sc= -0.0546 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -169:sc= 0.113 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0455 F(o=-1.5!,f=-0.045) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.609 (180deg=0.579) USER MOD Single : A 31 GLN : amide:sc= -16! C(o=-16!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.47 F(o=-5.8!,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc=-0.00784 (180deg=-0.5) USER MOD Single : A 49 GLN : amide:sc= -0.0217 K(o=-0.022,f=-1.2) USER MOD Single : A 59 TYR OH : rot 153:sc= 1.18 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.7! C(o=-2.4!,f=-1.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.22) USER MOD Single : A 65 SER OG : rot 100:sc= 0.661 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 68 HIS : no HD1:sc=-0.00902 X(o=-0.009,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.792 -6.847 10.865 1.00 0.00 N ATOM 2 CA MET A 1 -1.430 -6.834 10.359 1.00 0.00 C ATOM 3 C MET A 1 -0.885 -5.406 10.288 1.00 0.00 C ATOM 4 O MET A 1 -1.652 -4.449 10.201 1.00 0.00 O ATOM 5 CB MET A 1 -1.397 -7.463 8.965 1.00 0.00 C ATOM 6 CG MET A 1 -1.490 -8.988 9.049 1.00 0.00 C ATOM 7 SD MET A 1 -1.131 -9.711 7.457 1.00 0.00 S ATOM 8 CE MET A 1 -0.740 -11.380 7.955 1.00 0.00 C ATOM 0 H1 MET A 1 -2.820 -7.354 11.772 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.120 -5.870 11.004 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.412 -7.326 10.181 1.00 0.00 H new ATOM 0 HA MET A 1 -0.803 -7.408 11.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.224 -7.077 8.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.476 -7.179 8.456 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.788 -9.363 9.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.488 -9.282 9.374 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.786 -12.039 7.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.264 -11.408 8.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.459 -11.714 8.703 1.00 0.00 H new ATOM 16 N GLN A 2 0.436 -5.308 10.328 1.00 0.00 N ATOM 17 CA GLN A 2 1.093 -4.013 10.268 1.00 0.00 C ATOM 18 C GLN A 2 2.207 -4.031 9.221 1.00 0.00 C ATOM 19 O GLN A 2 3.306 -4.517 9.486 1.00 0.00 O ATOM 20 CB GLN A 2 1.635 -3.611 11.641 1.00 0.00 C ATOM 21 CG GLN A 2 0.611 -2.779 12.414 1.00 0.00 C ATOM 22 CD GLN A 2 0.844 -2.884 13.923 1.00 0.00 C ATOM 23 OE1 GLN A 2 0.003 -3.342 14.677 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.031 -2.433 14.319 1.00 0.00 N ATOM 0 H GLN A 2 1.069 -6.104 10.401 1.00 0.00 H new ATOM 0 HA GLN A 2 0.357 -3.266 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.888 -4.505 12.212 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.555 -3.040 11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.677 -1.736 12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.396 -3.120 12.173 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.690 -2.062 13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.282 -2.458 15.307 1.00 0.00 H new ATOM 31 N ILE A 3 1.886 -3.494 8.052 1.00 0.00 N ATOM 32 CA ILE A 3 2.847 -3.442 6.964 1.00 0.00 C ATOM 33 C ILE A 3 3.421 -2.027 6.863 1.00 0.00 C ATOM 34 O ILE A 3 3.215 -1.206 7.756 1.00 0.00 O ATOM 35 CB ILE A 3 2.213 -3.941 5.664 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.988 -3.102 5.295 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.880 -5.432 5.755 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.504 -3.433 3.881 1.00 0.00 C ATOM 0 H ILE A 3 0.974 -3.092 7.835 1.00 0.00 H new ATOM 0 HA ILE A 3 3.683 -4.113 7.163 1.00 0.00 H new ATOM 0 HB ILE A 3 2.940 -3.821 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.187 -3.287 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.235 -2.042 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.430 -5.762 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.793 -5.998 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.179 -5.599 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.368 -2.823 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.300 -3.224 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.235 -4.488 3.826 1.00 0.00 H new ATOM 49 N PHE A 4 4.130 -1.787 5.770 1.00 0.00 N ATOM 50 CA PHE A 4 4.735 -0.486 5.541 1.00 0.00 C ATOM 51 C PHE A 4 4.860 -0.195 4.045 1.00 0.00 C ATOM 52 O PHE A 4 4.990 -1.115 3.238 1.00 0.00 O ATOM 53 CB PHE A 4 6.134 -0.528 6.159 1.00 0.00 C ATOM 54 CG PHE A 4 6.174 -1.123 7.569 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.616 -0.447 8.608 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.767 -2.328 7.781 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.653 -1.000 9.916 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.805 -2.881 9.090 1.00 0.00 C ATOM 59 CZ PHE A 4 6.246 -2.205 10.129 1.00 0.00 C ATOM 0 H PHE A 4 4.299 -2.472 5.033 1.00 0.00 H new ATOM 0 HA PHE A 4 4.117 0.295 5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.789 -1.111 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.536 0.485 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.145 0.510 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.209 -2.865 6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.210 -0.463 10.742 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.277 -3.837 9.259 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.273 -2.625 11.124 1.00 0.00 H new ATOM 68 N VAL A 5 4.817 1.089 3.719 1.00 0.00 N ATOM 69 CA VAL A 5 4.924 1.513 2.333 1.00 0.00 C ATOM 70 C VAL A 5 6.191 2.353 2.158 1.00 0.00 C ATOM 71 O VAL A 5 6.623 3.032 3.088 1.00 0.00 O ATOM 72 CB VAL A 5 3.652 2.252 1.913 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.491 3.555 2.698 1.00 0.00 C ATOM 74 CG2 VAL A 5 3.645 2.515 0.405 1.00 0.00 C ATOM 0 H VAL A 5 4.710 1.849 4.391 1.00 0.00 H new ATOM 0 HA VAL A 5 5.014 0.649 1.674 1.00 0.00 H new ATOM 0 HB VAL A 5 2.800 1.614 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.579 4.061 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.430 3.333 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.349 4.201 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.730 3.041 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.508 3.125 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.691 1.566 -0.130 1.00 0.00 H new ATOM 84 N LYS A 6 6.749 2.281 0.959 1.00 0.00 N ATOM 85 CA LYS A 6 7.957 3.027 0.650 1.00 0.00 C ATOM 86 C LYS A 6 7.603 4.212 -0.251 1.00 0.00 C ATOM 87 O LYS A 6 6.463 4.675 -0.255 1.00 0.00 O ATOM 88 CB LYS A 6 9.022 2.102 0.059 1.00 0.00 C ATOM 89 CG LYS A 6 10.417 2.473 0.568 1.00 0.00 C ATOM 90 CD LYS A 6 11.170 1.234 1.055 1.00 0.00 C ATOM 91 CE LYS A 6 12.469 1.626 1.762 1.00 0.00 C ATOM 92 NZ LYS A 6 12.947 0.518 2.619 1.00 0.00 N ATOM 0 H LYS A 6 6.387 1.718 0.190 1.00 0.00 H new ATOM 0 HA LYS A 6 8.394 3.437 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.798 1.069 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.000 2.165 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.982 2.957 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.332 3.194 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.538 0.664 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.394 0.584 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.230 1.877 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.306 2.518 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.829 0.800 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.226 0.297 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.122 -0.323 2.033 1.00 0.00 H new ATOM 102 N THR A 7 8.601 4.669 -0.994 1.00 0.00 N ATOM 103 CA THR A 7 8.409 5.790 -1.897 1.00 0.00 C ATOM 104 C THR A 7 9.760 6.326 -2.376 1.00 0.00 C ATOM 105 O THR A 7 10.809 5.862 -1.932 1.00 0.00 O ATOM 106 CB THR A 7 7.561 6.840 -1.175 1.00 0.00 C ATOM 107 OG1 THR A 7 7.991 8.078 -1.733 1.00 0.00 O ATOM 108 CG2 THR A 7 7.913 6.957 0.310 1.00 0.00 C ATOM 0 H THR A 7 9.545 4.283 -0.989 1.00 0.00 H new ATOM 0 HA THR A 7 7.877 5.485 -2.798 1.00 0.00 H new ATOM 0 HB THR A 7 6.506 6.588 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.491 8.813 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.283 7.715 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.747 5.997 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.960 7.242 0.414 1.00 0.00 H new ATOM 116 N LEU A 8 9.690 7.297 -3.276 1.00 0.00 N ATOM 117 CA LEU A 8 10.895 7.901 -3.819 1.00 0.00 C ATOM 118 C LEU A 8 11.752 8.441 -2.674 1.00 0.00 C ATOM 119 O LEU A 8 12.938 8.711 -2.855 1.00 0.00 O ATOM 120 CB LEU A 8 10.538 8.955 -4.870 1.00 0.00 C ATOM 121 CG LEU A 8 9.680 8.471 -6.040 1.00 0.00 C ATOM 122 CD1 LEU A 8 9.285 9.638 -6.950 1.00 0.00 C ATOM 123 CD2 LEU A 8 10.384 7.355 -6.813 1.00 0.00 C ATOM 0 H LEU A 8 8.818 7.680 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 8 11.494 7.154 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.013 9.771 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.464 9.368 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 8 8.759 8.050 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.675 9.267 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.714 10.369 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.184 10.110 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.752 7.030 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.331 7.725 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.572 6.513 -6.147 1.00 0.00 H new ATOM 134 N THR A 9 11.117 8.582 -1.519 1.00 0.00 N ATOM 135 CA THR A 9 11.807 9.085 -0.342 1.00 0.00 C ATOM 136 C THR A 9 12.054 7.951 0.656 1.00 0.00 C ATOM 137 O THR A 9 12.550 8.187 1.757 1.00 0.00 O ATOM 138 CB THR A 9 10.981 10.235 0.235 1.00 0.00 C ATOM 139 OG1 THR A 9 9.832 9.595 0.784 1.00 0.00 O ATOM 140 CG2 THR A 9 10.414 11.151 -0.851 1.00 0.00 C ATOM 0 H THR A 9 10.133 8.357 -1.373 1.00 0.00 H new ATOM 0 HA THR A 9 12.794 9.472 -0.596 1.00 0.00 H new ATOM 0 HB THR A 9 11.599 10.820 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.098 10.241 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.836 11.950 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.233 11.582 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.769 10.574 -1.513 1.00 0.00 H new ATOM 148 N GLY A 10 11.696 6.748 0.237 1.00 0.00 N ATOM 149 CA GLY A 10 11.871 5.577 1.081 1.00 0.00 C ATOM 150 C GLY A 10 11.302 5.821 2.480 1.00 0.00 C ATOM 151 O GLY A 10 12.036 6.184 3.398 1.00 0.00 O ATOM 0 H GLY A 10 11.285 6.557 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.375 4.719 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.930 5.331 1.153 1.00 0.00 H new ATOM 155 N LYS A 11 9.999 5.612 2.599 1.00 0.00 N ATOM 156 CA LYS A 11 9.323 5.804 3.870 1.00 0.00 C ATOM 157 C LYS A 11 8.807 4.456 4.378 1.00 0.00 C ATOM 158 O LYS A 11 9.145 3.410 3.826 1.00 0.00 O ATOM 159 CB LYS A 11 8.233 6.870 3.743 1.00 0.00 C ATOM 160 CG LYS A 11 8.363 7.922 4.847 1.00 0.00 C ATOM 161 CD LYS A 11 7.241 8.959 4.752 1.00 0.00 C ATOM 162 CE LYS A 11 6.459 9.042 6.063 1.00 0.00 C ATOM 163 NZ LYS A 11 7.278 9.688 7.115 1.00 0.00 N ATOM 0 H LYS A 11 9.393 5.311 1.835 1.00 0.00 H new ATOM 0 HA LYS A 11 10.021 6.182 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.302 7.351 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.251 6.400 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.332 7.436 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.330 8.419 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.663 9.935 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.566 8.696 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.540 9.608 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.168 8.042 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.732 9.737 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.143 9.132 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.535 10.650 6.813 1.00 0.00 H new ATOM 173 N THR A 12 7.998 4.524 5.425 1.00 0.00 N ATOM 174 CA THR A 12 7.431 3.322 6.013 1.00 0.00 C ATOM 175 C THR A 12 6.328 3.683 7.009 1.00 0.00 C ATOM 176 O THR A 12 6.603 3.928 8.183 1.00 0.00 O ATOM 177 CB THR A 12 8.574 2.518 6.636 1.00 0.00 C ATOM 178 OG1 THR A 12 9.013 1.663 5.584 1.00 0.00 O ATOM 179 CG2 THR A 12 8.088 1.554 7.721 1.00 0.00 C ATOM 0 H THR A 12 7.721 5.393 5.882 1.00 0.00 H new ATOM 0 HA THR A 12 6.950 2.701 5.257 1.00 0.00 H new ATOM 0 HB THR A 12 9.309 3.202 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.340 2.206 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.938 1.008 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.601 2.118 8.517 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.378 0.849 7.289 1.00 0.00 H new ATOM 187 N ILE A 13 5.103 3.707 6.503 1.00 0.00 N ATOM 188 CA ILE A 13 3.957 4.034 7.335 1.00 0.00 C ATOM 189 C ILE A 13 3.268 2.743 7.778 1.00 0.00 C ATOM 190 O ILE A 13 3.099 1.820 6.982 1.00 0.00 O ATOM 191 CB ILE A 13 3.029 5.008 6.606 1.00 0.00 C ATOM 192 CG1 ILE A 13 2.647 4.472 5.225 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.650 6.404 6.529 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.129 4.474 5.035 1.00 0.00 C ATOM 0 H ILE A 13 4.879 3.506 5.528 1.00 0.00 H new ATOM 0 HA ILE A 13 4.277 4.550 8.240 1.00 0.00 H new ATOM 0 HB ILE A 13 2.108 5.098 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.114 5.083 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.030 3.459 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.970 7.076 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.828 6.779 7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.595 6.352 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.886 4.088 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.666 3.843 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.752 5.492 5.130 1.00 0.00 H new ATOM 205 N THR A 14 2.889 2.718 9.047 1.00 0.00 N ATOM 206 CA THR A 14 2.222 1.555 9.607 1.00 0.00 C ATOM 207 C THR A 14 0.736 1.568 9.247 1.00 0.00 C ATOM 208 O THR A 14 0.035 2.541 9.526 1.00 0.00 O ATOM 209 CB THR A 14 2.483 1.539 11.114 1.00 0.00 C ATOM 210 OG1 THR A 14 3.868 1.221 11.222 1.00 0.00 O ATOM 211 CG2 THR A 14 1.778 0.377 11.818 1.00 0.00 C ATOM 0 H THR A 14 3.031 3.485 9.704 1.00 0.00 H new ATOM 0 HA THR A 14 2.618 0.631 9.185 1.00 0.00 H new ATOM 0 HB THR A 14 2.153 2.482 11.550 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.198 0.898 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.996 0.412 12.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.702 0.458 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.133 -0.567 11.406 1.00 0.00 H new ATOM 219 N LEU A 15 0.296 0.478 8.636 1.00 0.00 N ATOM 220 CA LEU A 15 -1.095 0.353 8.236 1.00 0.00 C ATOM 221 C LEU A 15 -1.725 -0.837 8.964 1.00 0.00 C ATOM 222 O LEU A 15 -1.026 -1.610 9.617 1.00 0.00 O ATOM 223 CB LEU A 15 -1.210 0.273 6.712 1.00 0.00 C ATOM 224 CG LEU A 15 -1.987 1.406 6.038 1.00 0.00 C ATOM 225 CD1 LEU A 15 -3.492 1.135 6.073 1.00 0.00 C ATOM 226 CD2 LEU A 15 -1.634 2.758 6.659 1.00 0.00 C ATOM 0 H LEU A 15 0.879 -0.327 8.408 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.657 1.240 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.204 0.249 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.687 -0.672 6.452 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.691 1.446 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.021 1.955 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.706 0.204 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.823 1.052 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.200 3.546 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.883 2.747 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.567 2.946 6.538 1.00 0.00 H new ATOM 237 N GLU A 16 -3.038 -0.946 8.826 1.00 0.00 N ATOM 238 CA GLU A 16 -3.770 -2.028 9.462 1.00 0.00 C ATOM 239 C GLU A 16 -4.657 -2.741 8.440 1.00 0.00 C ATOM 240 O GLU A 16 -5.875 -2.569 8.442 1.00 0.00 O ATOM 241 CB GLU A 16 -4.598 -1.512 10.641 1.00 0.00 C ATOM 242 CG GLU A 16 -3.915 -1.833 11.972 1.00 0.00 C ATOM 243 CD GLU A 16 -4.548 -1.040 13.118 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.402 0.202 13.098 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.165 -1.693 13.987 1.00 0.00 O ATOM 0 H GLU A 16 -3.614 -0.303 8.283 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.050 -2.747 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.736 -0.435 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.590 -1.963 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.993 -2.901 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.853 -1.598 11.906 1.00 0.00 H new ATOM 250 N VAL A 17 -4.012 -3.527 7.590 1.00 0.00 N ATOM 251 CA VAL A 17 -4.727 -4.267 6.564 1.00 0.00 C ATOM 252 C VAL A 17 -4.764 -5.749 6.943 1.00 0.00 C ATOM 253 O VAL A 17 -4.154 -6.156 7.932 1.00 0.00 O ATOM 254 CB VAL A 17 -4.089 -4.016 5.197 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.026 -2.518 4.889 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.700 -4.652 5.114 1.00 0.00 C ATOM 0 H VAL A 17 -3.002 -3.667 7.591 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.759 -3.923 6.494 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.718 -4.488 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.568 -2.366 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.035 -2.105 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.430 -2.015 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.269 -4.458 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.057 -4.224 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.783 -5.728 5.268 1.00 0.00 H new ATOM 266 N GLU A 18 -5.486 -6.516 6.138 1.00 0.00 N ATOM 267 CA GLU A 18 -5.610 -7.943 6.376 1.00 0.00 C ATOM 268 C GLU A 18 -4.922 -8.729 5.259 1.00 0.00 C ATOM 269 O GLU A 18 -4.715 -8.209 4.165 1.00 0.00 O ATOM 270 CB GLU A 18 -7.078 -8.351 6.510 1.00 0.00 C ATOM 271 CG GLU A 18 -7.451 -8.587 7.975 1.00 0.00 C ATOM 272 CD GLU A 18 -8.068 -7.331 8.593 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.102 -6.881 8.053 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.492 -6.848 9.592 1.00 0.00 O ATOM 0 H GLU A 18 -5.991 -6.175 5.320 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.114 -8.179 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.715 -7.573 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.261 -9.258 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.156 -9.415 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.563 -8.875 8.538 1.00 0.00 H new ATOM 279 N PRO A 19 -4.577 -10.005 5.581 1.00 0.00 N ATOM 280 CA PRO A 19 -3.917 -10.869 4.618 1.00 0.00 C ATOM 281 C PRO A 19 -4.905 -11.367 3.561 1.00 0.00 C ATOM 282 O PRO A 19 -4.498 -11.872 2.515 1.00 0.00 O ATOM 283 CB PRO A 19 -3.316 -11.994 5.445 1.00 0.00 C ATOM 284 CG PRO A 19 -4.051 -11.972 6.775 1.00 0.00 C ATOM 285 CD PRO A 19 -4.808 -10.656 6.868 1.00 0.00 C ATOM 0 HA PRO A 19 -3.143 -10.352 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.440 -12.955 4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.246 -11.845 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.740 -12.814 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.347 -12.067 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.871 -10.822 7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.441 -10.045 7.693 1.00 0.00 H new ATOM 290 N SER A 20 -6.184 -11.205 3.868 1.00 0.00 N ATOM 291 CA SER A 20 -7.232 -11.633 2.958 1.00 0.00 C ATOM 292 C SER A 20 -7.801 -10.423 2.212 1.00 0.00 C ATOM 293 O SER A 20 -8.810 -10.536 1.518 1.00 0.00 O ATOM 294 CB SER A 20 -8.346 -12.366 3.706 1.00 0.00 C ATOM 295 OG SER A 20 -7.843 -13.128 4.800 1.00 0.00 O ATOM 0 H SER A 20 -6.518 -10.783 4.735 1.00 0.00 H new ATOM 0 HA SER A 20 -6.798 -12.327 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.074 -11.642 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.872 -13.026 3.016 1.00 0.00 H new ATOM 0 HG SER A 20 -8.586 -13.580 5.253 1.00 0.00 H new ATOM 300 N ASP A 21 -7.128 -9.294 2.380 1.00 0.00 N ATOM 301 CA ASP A 21 -7.554 -8.065 1.732 1.00 0.00 C ATOM 302 C ASP A 21 -6.873 -7.952 0.366 1.00 0.00 C ATOM 303 O ASP A 21 -5.704 -8.310 0.220 1.00 0.00 O ATOM 304 CB ASP A 21 -7.161 -6.841 2.560 1.00 0.00 C ATOM 305 CG ASP A 21 -7.899 -6.697 3.892 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.829 -7.502 4.116 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.515 -5.785 4.658 1.00 0.00 O ATOM 0 H ASP A 21 -6.291 -9.205 2.956 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.639 -8.096 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.090 -6.884 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.339 -5.946 1.964 1.00 0.00 H new ATOM 311 N THR A 22 -7.631 -7.452 -0.598 1.00 0.00 N ATOM 312 CA THR A 22 -7.115 -7.288 -1.947 1.00 0.00 C ATOM 313 C THR A 22 -6.235 -6.039 -2.031 1.00 0.00 C ATOM 314 O THR A 22 -6.508 -5.037 -1.372 1.00 0.00 O ATOM 315 CB THR A 22 -8.305 -7.258 -2.907 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.707 -7.189 -4.199 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.113 -5.963 -2.801 1.00 0.00 C ATOM 0 H THR A 22 -8.599 -7.155 -0.472 1.00 0.00 H new ATOM 0 HA THR A 22 -6.472 -8.121 -2.230 1.00 0.00 H new ATOM 0 HB THR A 22 -8.956 -8.108 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.396 -6.997 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.945 -5.995 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.498 -5.857 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.472 -5.114 -3.036 1.00 0.00 H new ATOM 325 N ILE A 23 -5.196 -6.140 -2.848 1.00 0.00 N ATOM 326 CA ILE A 23 -4.275 -5.032 -3.027 1.00 0.00 C ATOM 327 C ILE A 23 -5.061 -3.720 -3.057 1.00 0.00 C ATOM 328 O ILE A 23 -4.603 -2.706 -2.533 1.00 0.00 O ATOM 329 CB ILE A 23 -3.403 -5.255 -4.266 1.00 0.00 C ATOM 330 CG1 ILE A 23 -2.584 -6.540 -4.135 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.519 -4.037 -4.540 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.096 -6.736 -2.698 1.00 0.00 C ATOM 0 H ILE A 23 -4.972 -6.973 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.585 -4.971 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.058 -5.377 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.190 -7.394 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.730 -6.501 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.910 -4.221 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.147 -3.162 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.869 -3.859 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.516 -7.657 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.470 -5.892 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.953 -6.799 -2.028 1.00 0.00 H new ATOM 343 N GLU A 24 -6.232 -3.783 -3.675 1.00 0.00 N ATOM 344 CA GLU A 24 -7.086 -2.612 -3.780 1.00 0.00 C ATOM 345 C GLU A 24 -7.404 -2.061 -2.388 1.00 0.00 C ATOM 346 O GLU A 24 -6.989 -0.956 -2.044 1.00 0.00 O ATOM 347 CB GLU A 24 -8.369 -2.936 -4.548 1.00 0.00 C ATOM 348 CG GLU A 24 -8.904 -1.697 -5.269 1.00 0.00 C ATOM 349 CD GLU A 24 -9.016 -1.945 -6.775 1.00 0.00 C ATOM 350 OE1 GLU A 24 -9.922 -2.718 -7.157 1.00 0.00 O ATOM 351 OE2 GLU A 24 -8.195 -1.357 -7.511 1.00 0.00 O ATOM 0 H GLU A 24 -6.609 -4.626 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.551 -1.845 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.174 -3.727 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.124 -3.314 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.882 -1.432 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.243 -0.850 -5.084 1.00 0.00 H new ATOM 356 N ASN A 25 -8.139 -2.857 -1.626 1.00 0.00 N ATOM 357 CA ASN A 25 -8.518 -2.463 -0.279 1.00 0.00 C ATOM 358 C ASN A 25 -7.280 -1.970 0.471 1.00 0.00 C ATOM 359 O ASN A 25 -7.320 -0.931 1.127 1.00 0.00 O ATOM 360 CB ASN A 25 -9.102 -3.645 0.496 1.00 0.00 C ATOM 361 CG ASN A 25 -10.160 -3.176 1.497 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.990 -1.925 1.918 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -11.070 -3.900 1.863 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.482 -3.773 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.269 -1.676 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.545 -4.357 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.304 -4.169 1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.143 -4.851 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.759 -3.555 2.532 1.00 0.00 H new ATOM 369 N VAL A 26 -6.208 -2.739 0.349 1.00 0.00 N ATOM 370 CA VAL A 26 -4.960 -2.394 1.007 1.00 0.00 C ATOM 371 C VAL A 26 -4.472 -1.039 0.489 1.00 0.00 C ATOM 372 O VAL A 26 -4.055 -0.185 1.270 1.00 0.00 O ATOM 373 CB VAL A 26 -3.936 -3.513 0.808 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.661 -3.238 1.608 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.531 -4.873 1.176 1.00 0.00 C ATOM 0 H VAL A 26 -6.178 -3.600 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.110 -2.296 2.082 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.670 -3.539 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.950 -4.048 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.220 -2.298 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.904 -3.172 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.782 -5.651 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.840 -4.864 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.396 -5.075 0.544 1.00 0.00 H new ATOM 385 N LYS A 27 -4.543 -0.884 -0.824 1.00 0.00 N ATOM 386 CA LYS A 27 -4.115 0.353 -1.455 1.00 0.00 C ATOM 387 C LYS A 27 -5.202 1.414 -1.279 1.00 0.00 C ATOM 388 O LYS A 27 -5.006 2.575 -1.636 1.00 0.00 O ATOM 389 CB LYS A 27 -3.730 0.104 -2.916 1.00 0.00 C ATOM 390 CG LYS A 27 -4.890 0.444 -3.854 1.00 0.00 C ATOM 391 CD LYS A 27 -4.491 0.237 -5.316 1.00 0.00 C ATOM 392 CE LYS A 27 -3.936 -1.171 -5.540 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.236 -1.633 -6.914 1.00 0.00 N ATOM 0 H LYS A 27 -4.890 -1.594 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.215 0.735 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.860 0.707 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.445 -0.940 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.750 -0.182 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.196 1.479 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.357 0.397 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.742 0.976 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.858 -1.174 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.371 -1.859 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.853 -2.590 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.266 -1.649 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.801 -0.985 -7.601 1.00 0.00 H new ATOM 403 N ALA A 28 -6.326 0.978 -0.727 1.00 0.00 N ATOM 404 CA ALA A 28 -7.445 1.877 -0.499 1.00 0.00 C ATOM 405 C ALA A 28 -7.357 2.442 0.920 1.00 0.00 C ATOM 406 O ALA A 28 -7.451 3.653 1.117 1.00 0.00 O ATOM 407 CB ALA A 28 -8.757 1.132 -0.750 1.00 0.00 C ATOM 0 H ALA A 28 -6.485 0.015 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.410 2.718 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.597 1.806 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.782 0.775 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.829 0.283 -0.070 1.00 0.00 H new ATOM 413 N LYS A 29 -7.180 1.538 1.873 1.00 0.00 N ATOM 414 CA LYS A 29 -7.080 1.932 3.268 1.00 0.00 C ATOM 415 C LYS A 29 -6.246 3.210 3.375 1.00 0.00 C ATOM 416 O LYS A 29 -6.696 4.203 3.942 1.00 0.00 O ATOM 417 CB LYS A 29 -6.542 0.776 4.113 1.00 0.00 C ATOM 418 CG LYS A 29 -7.686 -0.047 4.708 1.00 0.00 C ATOM 419 CD LYS A 29 -7.149 -1.188 5.575 1.00 0.00 C ATOM 420 CE LYS A 29 -8.293 -1.954 6.244 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.483 -1.487 7.636 1.00 0.00 N ATOM 0 H LYS A 29 -7.103 0.535 1.706 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.067 2.160 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.910 0.135 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.916 1.168 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.329 0.598 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.301 -0.454 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.560 -1.870 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.481 -0.787 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.214 -1.813 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.076 -3.022 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.335 -1.929 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.654 -1.751 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.594 -0.453 7.643 1.00 0.00 H new ATOM 431 N ILE A 30 -5.044 3.143 2.819 1.00 0.00 N ATOM 432 CA ILE A 30 -4.144 4.284 2.843 1.00 0.00 C ATOM 433 C ILE A 30 -4.897 5.533 2.380 1.00 0.00 C ATOM 434 O ILE A 30 -4.766 6.599 2.981 1.00 0.00 O ATOM 435 CB ILE A 30 -2.883 3.988 2.029 1.00 0.00 C ATOM 436 CG1 ILE A 30 -3.230 3.275 0.721 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.866 3.201 2.859 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.076 3.370 -0.280 1.00 0.00 C ATOM 0 H ILE A 30 -4.673 2.317 2.350 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.801 4.478 3.859 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.417 4.937 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.456 2.228 0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.128 3.717 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.979 3.004 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.586 3.782 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.308 2.256 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.350 2.855 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.869 4.418 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.186 2.905 0.145 1.00 0.00 H new ATOM 449 N GLN A 31 -5.667 5.360 1.316 1.00 0.00 N ATOM 450 CA GLN A 31 -6.440 6.460 0.767 1.00 0.00 C ATOM 451 C GLN A 31 -7.352 7.057 1.841 1.00 0.00 C ATOM 452 O GLN A 31 -7.851 8.171 1.687 1.00 0.00 O ATOM 453 CB GLN A 31 -7.250 6.007 -0.450 1.00 0.00 C ATOM 454 CG GLN A 31 -6.369 5.242 -1.440 1.00 0.00 C ATOM 455 CD GLN A 31 -5.106 6.037 -1.779 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.951 6.574 -2.862 1.00 0.00 O ATOM 457 NE2 GLN A 31 -4.214 6.081 -0.793 1.00 0.00 N ATOM 0 H GLN A 31 -5.772 4.475 0.820 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.748 7.234 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.075 5.373 -0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.689 6.875 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.092 4.277 -1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.931 5.040 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.407 5.609 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.338 6.587 -0.920 1.00 0.00 H new ATOM 464 N ASP A 32 -7.544 6.289 2.903 1.00 0.00 N ATOM 465 CA ASP A 32 -8.387 6.728 4.001 1.00 0.00 C ATOM 466 C ASP A 32 -7.532 7.470 5.031 1.00 0.00 C ATOM 467 O ASP A 32 -8.059 8.185 5.881 1.00 0.00 O ATOM 468 CB ASP A 32 -9.042 5.536 4.703 1.00 0.00 C ATOM 469 CG ASP A 32 -10.543 5.683 4.959 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.102 6.701 4.496 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.099 4.772 5.611 1.00 0.00 O ATOM 0 H ASP A 32 -7.130 5.365 3.026 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.161 7.377 3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.877 4.643 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.540 5.374 5.657 1.00 0.00 H new ATOM 475 N LYS A 33 -6.226 7.275 4.919 1.00 0.00 N ATOM 476 CA LYS A 33 -5.292 7.917 5.828 1.00 0.00 C ATOM 477 C LYS A 33 -4.890 9.280 5.262 1.00 0.00 C ATOM 478 O LYS A 33 -5.006 10.298 5.942 1.00 0.00 O ATOM 479 CB LYS A 33 -4.106 6.996 6.117 1.00 0.00 C ATOM 480 CG LYS A 33 -4.516 5.846 7.041 1.00 0.00 C ATOM 481 CD LYS A 33 -4.755 6.348 8.466 1.00 0.00 C ATOM 482 CE LYS A 33 -4.917 5.177 9.438 1.00 0.00 C ATOM 483 NZ LYS A 33 -3.965 5.303 10.565 1.00 0.00 N ATOM 0 H LYS A 33 -5.793 6.681 4.212 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.765 8.100 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.717 6.594 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.301 7.568 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.422 5.374 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.737 5.083 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.920 6.974 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.648 6.973 8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.938 5.151 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.748 4.236 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.088 4.501 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.992 5.305 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.145 6.192 11.074 1.00 0.00 H new ATOM 493 N GLU A 34 -4.424 9.254 4.022 1.00 0.00 N ATOM 494 CA GLU A 34 -4.003 10.475 3.355 1.00 0.00 C ATOM 495 C GLU A 34 -5.214 11.200 2.761 1.00 0.00 C ATOM 496 O GLU A 34 -5.337 12.417 2.891 1.00 0.00 O ATOM 497 CB GLU A 34 -2.958 10.180 2.278 1.00 0.00 C ATOM 498 CG GLU A 34 -3.240 8.841 1.592 1.00 0.00 C ATOM 499 CD GLU A 34 -2.483 7.703 2.279 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.660 7.564 3.509 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.743 6.999 1.559 1.00 0.00 O ATOM 0 H GLU A 34 -4.329 8.407 3.462 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.539 11.128 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.959 10.979 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.964 10.161 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.310 8.636 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.947 8.897 0.544 1.00 0.00 H new ATOM 506 N GLY A 35 -6.075 10.421 2.123 1.00 0.00 N ATOM 507 CA GLY A 35 -7.270 10.974 1.509 1.00 0.00 C ATOM 508 C GLY A 35 -7.096 11.110 -0.005 1.00 0.00 C ATOM 509 O GLY A 35 -7.901 11.760 -0.670 1.00 0.00 O ATOM 0 H GLY A 35 -5.969 9.412 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.124 10.332 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.488 11.950 1.943 1.00 0.00 H new ATOM 513 N ILE A 36 -6.040 10.485 -0.505 1.00 0.00 N ATOM 514 CA ILE A 36 -5.750 10.528 -1.928 1.00 0.00 C ATOM 515 C ILE A 36 -6.308 9.270 -2.596 1.00 0.00 C ATOM 516 O ILE A 36 -6.454 8.233 -1.951 1.00 0.00 O ATOM 517 CB ILE A 36 -4.253 10.738 -2.164 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.582 9.439 -2.615 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.580 11.330 -0.924 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.110 9.674 -2.961 1.00 0.00 C ATOM 0 H ILE A 36 -5.375 9.946 0.050 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.244 11.381 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.132 11.460 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.659 8.692 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.104 9.038 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.517 11.469 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.035 12.292 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.709 10.651 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.656 8.735 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.038 10.403 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.586 10.052 -2.083 1.00 0.00 H new ATOM 531 N PRO A 37 -6.611 9.406 -3.916 1.00 0.00 N ATOM 532 CA PRO A 37 -7.150 8.293 -4.677 1.00 0.00 C ATOM 533 C PRO A 37 -6.058 7.269 -4.999 1.00 0.00 C ATOM 534 O PRO A 37 -4.929 7.639 -5.315 1.00 0.00 O ATOM 535 CB PRO A 37 -7.757 8.924 -5.920 1.00 0.00 C ATOM 536 CG PRO A 37 -7.131 10.304 -6.035 1.00 0.00 C ATOM 537 CD PRO A 37 -6.451 10.619 -4.712 1.00 0.00 C ATOM 0 HA PRO A 37 -7.902 7.730 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.546 8.324 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.841 8.993 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.409 10.329 -6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.892 11.051 -6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.398 10.862 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.913 11.477 -4.224 1.00 0.00 H new ATOM 542 N PRO A 38 -6.444 5.968 -4.904 1.00 0.00 N ATOM 543 CA PRO A 38 -5.511 4.889 -5.181 1.00 0.00 C ATOM 544 C PRO A 38 -5.271 4.745 -6.685 1.00 0.00 C ATOM 545 O PRO A 38 -4.418 3.967 -7.109 1.00 0.00 O ATOM 546 CB PRO A 38 -6.143 3.655 -4.558 1.00 0.00 C ATOM 547 CG PRO A 38 -7.612 3.991 -4.365 1.00 0.00 C ATOM 548 CD PRO A 38 -7.773 5.493 -4.532 1.00 0.00 C ATOM 0 HA PRO A 38 -4.521 5.068 -4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.023 2.786 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.670 3.412 -3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.224 3.458 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.948 3.679 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.508 5.730 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.116 5.960 -3.609 1.00 0.00 H new ATOM 553 N ASP A 39 -6.039 5.506 -7.451 1.00 0.00 N ATOM 554 CA ASP A 39 -5.920 5.473 -8.898 1.00 0.00 C ATOM 555 C ASP A 39 -4.726 6.327 -9.327 1.00 0.00 C ATOM 556 O ASP A 39 -4.444 6.454 -10.519 1.00 0.00 O ATOM 557 CB ASP A 39 -7.173 6.041 -9.567 1.00 0.00 C ATOM 558 CG ASP A 39 -8.180 4.994 -10.047 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.901 4.459 -9.176 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.209 4.753 -11.273 1.00 0.00 O ATOM 0 H ASP A 39 -6.746 6.149 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.789 4.434 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.672 6.707 -8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.868 6.648 -10.420 1.00 0.00 H new ATOM 564 N GLN A 40 -4.056 6.893 -8.335 1.00 0.00 N ATOM 565 CA GLN A 40 -2.899 7.732 -8.594 1.00 0.00 C ATOM 566 C GLN A 40 -1.608 6.952 -8.339 1.00 0.00 C ATOM 567 O GLN A 40 -0.877 6.629 -9.274 1.00 0.00 O ATOM 568 CB GLN A 40 -2.945 9.007 -7.750 1.00 0.00 C ATOM 569 CG GLN A 40 -3.560 10.165 -8.538 1.00 0.00 C ATOM 570 CD GLN A 40 -4.852 9.729 -9.234 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.627 8.945 -8.492 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.125 10.084 -10.370 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.293 6.787 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.919 8.029 -9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.527 8.828 -6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.937 9.274 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.768 10.997 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.847 10.525 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.483 10.688 -10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.995 9.777 -10.805 1.00 0.00 H new ATOM 579 N GLN A 41 -1.368 6.670 -7.066 1.00 0.00 N ATOM 580 CA GLN A 41 -0.178 5.933 -6.676 1.00 0.00 C ATOM 581 C GLN A 41 -0.463 4.429 -6.668 1.00 0.00 C ATOM 582 O GLN A 41 -1.620 4.014 -6.618 1.00 0.00 O ATOM 583 CB GLN A 41 0.334 6.400 -5.311 1.00 0.00 C ATOM 584 CG GLN A 41 -0.731 6.200 -4.230 1.00 0.00 C ATOM 585 CD GLN A 41 -0.285 5.152 -3.209 1.00 0.00 C ATOM 586 OE1 GLN A 41 -0.173 3.972 -3.501 1.00 0.00 O ATOM 587 NE2 GLN A 41 -0.038 5.645 -1.999 1.00 0.00 N ATOM 0 H GLN A 41 -1.977 6.938 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 41 0.604 6.132 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.234 5.846 -5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.612 7.453 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.924 7.146 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.668 5.888 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.152 6.643 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.265 5.025 -1.248 1.00 0.00 H new ATOM 594 N ARG A 42 0.611 3.655 -6.720 1.00 0.00 N ATOM 595 CA ARG A 42 0.491 2.208 -6.720 1.00 0.00 C ATOM 596 C ARG A 42 1.560 1.586 -5.819 1.00 0.00 C ATOM 597 O ARG A 42 2.650 2.136 -5.673 1.00 0.00 O ATOM 598 CB ARG A 42 0.637 1.643 -8.136 1.00 0.00 C ATOM 599 CG ARG A 42 -0.381 2.278 -9.087 1.00 0.00 C ATOM 600 CD ARG A 42 0.131 2.259 -10.528 1.00 0.00 C ATOM 601 NE ARG A 42 -0.544 3.314 -11.317 1.00 0.00 N ATOM 602 CZ ARG A 42 -0.421 3.453 -12.645 1.00 0.00 C ATOM 603 NH1 ARG A 42 0.351 2.604 -13.339 1.00 0.00 N ATOM 604 NH2 ARG A 42 -1.069 4.439 -13.279 1.00 0.00 N ATOM 0 H ARG A 42 1.569 4.003 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.500 1.958 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.647 1.827 -8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.497 0.562 -8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.327 1.739 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.579 3.305 -8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.209 2.416 -10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.055 1.283 -10.976 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.140 3.976 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.844 1.853 -12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.445 2.709 -14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.657 5.085 -12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.975 4.544 -14.289 1.00 0.00 H new ATOM 615 N LEU A 43 1.208 0.448 -5.237 1.00 0.00 N ATOM 616 CA LEU A 43 2.123 -0.254 -4.353 1.00 0.00 C ATOM 617 C LEU A 43 2.804 -1.386 -5.127 1.00 0.00 C ATOM 618 O LEU A 43 2.207 -1.975 -6.027 1.00 0.00 O ATOM 619 CB LEU A 43 1.397 -0.722 -3.092 1.00 0.00 C ATOM 620 CG LEU A 43 1.021 0.371 -2.090 1.00 0.00 C ATOM 621 CD1 LEU A 43 -0.492 0.419 -1.870 1.00 0.00 C ATOM 622 CD2 LEU A 43 1.786 0.198 -0.776 1.00 0.00 C ATOM 0 H LEU A 43 0.302 -0.005 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 43 2.910 0.417 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.487 -1.241 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.027 -1.452 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 43 1.315 1.333 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.731 1.205 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.991 0.627 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.834 -0.541 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.500 0.988 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.546 -0.772 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.857 0.255 -0.969 1.00 0.00 H new ATOM 633 N ILE A 44 4.044 -1.657 -4.746 1.00 0.00 N ATOM 634 CA ILE A 44 4.812 -2.707 -5.392 1.00 0.00 C ATOM 635 C ILE A 44 5.322 -3.687 -4.332 1.00 0.00 C ATOM 636 O ILE A 44 5.497 -3.315 -3.173 1.00 0.00 O ATOM 637 CB ILE A 44 5.922 -2.106 -6.258 1.00 0.00 C ATOM 638 CG1 ILE A 44 5.348 -1.116 -7.273 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.749 -3.203 -6.930 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.741 -1.849 -8.472 1.00 0.00 C ATOM 0 H ILE A 44 4.535 -1.167 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 44 4.180 -3.275 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 44 6.597 -1.548 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.586 -0.500 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.134 -0.442 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.530 -2.748 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.205 -3.834 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.102 -3.810 -7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.340 -1.122 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.511 -2.445 -8.962 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.939 -2.503 -8.130 1.00 0.00 H new ATOM 651 N PHE A 45 5.544 -4.918 -4.768 1.00 0.00 N ATOM 652 CA PHE A 45 6.030 -5.952 -3.871 1.00 0.00 C ATOM 653 C PHE A 45 6.535 -7.165 -4.655 1.00 0.00 C ATOM 654 O PHE A 45 5.790 -7.761 -5.431 1.00 0.00 O ATOM 655 CB PHE A 45 4.848 -6.379 -2.999 1.00 0.00 C ATOM 656 CG PHE A 45 5.244 -7.207 -1.774 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.870 -6.611 -0.724 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.972 -8.539 -1.737 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.239 -7.379 0.412 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.340 -9.307 -0.601 1.00 0.00 C ATOM 661 CZ PHE A 45 5.966 -8.711 0.450 1.00 0.00 C ATOM 0 H PHE A 45 5.396 -5.222 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 45 6.858 -5.568 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.315 -5.488 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.152 -6.958 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.087 -5.553 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.476 -9.012 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.736 -6.906 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.123 -10.365 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.246 -9.295 1.314 1.00 0.00 H new ATOM 670 N ALA A 46 7.797 -7.495 -4.425 1.00 0.00 N ATOM 671 CA ALA A 46 8.411 -8.626 -5.100 1.00 0.00 C ATOM 672 C ALA A 46 8.946 -8.174 -6.459 1.00 0.00 C ATOM 673 O ALA A 46 10.025 -8.592 -6.876 1.00 0.00 O ATOM 674 CB ALA A 46 7.391 -9.760 -5.223 1.00 0.00 C ATOM 0 H ALA A 46 8.412 -6.999 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 46 9.255 -9.006 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.850 -10.609 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.063 -10.064 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.532 -9.416 -5.799 1.00 0.00 H new ATOM 680 N GLY A 47 8.167 -7.326 -7.115 1.00 0.00 N ATOM 681 CA GLY A 47 8.550 -6.812 -8.419 1.00 0.00 C ATOM 682 C GLY A 47 7.323 -6.624 -9.316 1.00 0.00 C ATOM 683 O GLY A 47 7.404 -5.971 -10.355 1.00 0.00 O ATOM 0 H GLY A 47 7.272 -6.982 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.068 -5.860 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.250 -7.499 -8.894 1.00 0.00 H new ATOM 687 N LYS A 48 6.218 -7.209 -8.881 1.00 0.00 N ATOM 688 CA LYS A 48 4.976 -7.114 -9.630 1.00 0.00 C ATOM 689 C LYS A 48 4.338 -5.746 -9.382 1.00 0.00 C ATOM 690 O LYS A 48 4.691 -5.058 -8.425 1.00 0.00 O ATOM 691 CB LYS A 48 4.057 -8.291 -9.297 1.00 0.00 C ATOM 692 CG LYS A 48 3.642 -8.262 -7.825 1.00 0.00 C ATOM 693 CD LYS A 48 3.620 -9.673 -7.234 1.00 0.00 C ATOM 694 CE LYS A 48 3.408 -9.630 -5.719 1.00 0.00 C ATOM 695 NZ LYS A 48 4.074 -10.780 -5.069 1.00 0.00 N ATOM 0 H LYS A 48 6.156 -7.751 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 48 5.171 -7.185 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.170 -8.255 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.567 -9.229 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.335 -7.638 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.655 -7.809 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.824 -10.254 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.558 -10.180 -7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.805 -8.698 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.341 -9.646 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.219 -10.573 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.478 -11.627 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.994 -10.950 -5.523 1.00 0.00 H new ATOM 705 N GLN A 49 3.411 -5.393 -10.260 1.00 0.00 N ATOM 706 CA GLN A 49 2.721 -4.119 -10.148 1.00 0.00 C ATOM 707 C GLN A 49 1.592 -4.216 -9.119 1.00 0.00 C ATOM 708 O GLN A 49 0.801 -3.285 -8.971 1.00 0.00 O ATOM 709 CB GLN A 49 2.187 -3.663 -11.507 1.00 0.00 C ATOM 710 CG GLN A 49 0.663 -3.789 -11.567 1.00 0.00 C ATOM 711 CD GLN A 49 0.171 -3.801 -13.017 1.00 0.00 C ATOM 712 OE1 GLN A 49 0.931 -3.645 -13.959 1.00 0.00 O ATOM 713 NE2 GLN A 49 -1.139 -3.995 -13.141 1.00 0.00 N ATOM 0 H GLN A 49 3.121 -5.967 -11.052 1.00 0.00 H new ATOM 0 HA GLN A 49 3.435 -3.370 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.477 -2.628 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.637 -4.263 -12.298 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.350 -4.705 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.204 -2.959 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.717 -4.119 -12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.565 -4.020 -14.067 1.00 0.00 H new ATOM 720 N LEU A 50 1.552 -5.351 -8.437 1.00 0.00 N ATOM 721 CA LEU A 50 0.534 -5.581 -7.427 1.00 0.00 C ATOM 722 C LEU A 50 -0.850 -5.367 -8.046 1.00 0.00 C ATOM 723 O LEU A 50 -1.312 -4.233 -8.162 1.00 0.00 O ATOM 724 CB LEU A 50 0.797 -4.715 -6.194 1.00 0.00 C ATOM 725 CG LEU A 50 1.169 -5.467 -4.913 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.815 -6.816 -5.239 1.00 0.00 C ATOM 727 CD2 LEU A 50 2.058 -4.608 -4.012 1.00 0.00 C ATOM 0 H LEU A 50 2.208 -6.121 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 50 0.571 -6.613 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.601 -4.018 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.094 -4.119 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 50 0.254 -5.673 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.070 -7.331 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.116 -7.425 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.720 -6.654 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.308 -5.165 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.974 -4.350 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.527 -3.696 -3.740 1.00 0.00 H new ATOM 738 N GLU A 51 -1.471 -6.473 -8.427 1.00 0.00 N ATOM 739 CA GLU A 51 -2.791 -6.420 -9.031 1.00 0.00 C ATOM 740 C GLU A 51 -3.863 -6.770 -7.996 1.00 0.00 C ATOM 741 O GLU A 51 -3.703 -7.718 -7.229 1.00 0.00 O ATOM 742 CB GLU A 51 -2.877 -7.348 -10.244 1.00 0.00 C ATOM 743 CG GLU A 51 -4.057 -6.970 -11.142 1.00 0.00 C ATOM 744 CD GLU A 51 -4.798 -8.216 -11.628 1.00 0.00 C ATOM 745 OE1 GLU A 51 -4.100 -9.156 -12.068 1.00 0.00 O ATOM 746 OE2 GLU A 51 -6.045 -8.201 -11.550 1.00 0.00 O ATOM 0 H GLU A 51 -1.084 -7.412 -8.329 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.969 -5.403 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.950 -7.294 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.986 -8.380 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.744 -6.325 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.698 -6.399 -11.998 1.00 0.00 H new ATOM 751 N ASP A 52 -4.930 -5.986 -8.008 1.00 0.00 N ATOM 752 CA ASP A 52 -6.027 -6.201 -7.080 1.00 0.00 C ATOM 753 C ASP A 52 -6.646 -7.576 -7.339 1.00 0.00 C ATOM 754 O ASP A 52 -7.400 -8.086 -6.512 1.00 0.00 O ATOM 755 CB ASP A 52 -7.121 -5.147 -7.266 1.00 0.00 C ATOM 756 CG ASP A 52 -8.537 -5.621 -6.937 1.00 0.00 C ATOM 757 OD1 ASP A 52 -8.827 -5.749 -5.728 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.301 -5.844 -7.902 1.00 0.00 O ATOM 0 H ASP A 52 -5.059 -5.200 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.630 -6.133 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.887 -4.287 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.100 -4.802 -8.300 1.00 0.00 H new ATOM 762 N GLY A 53 -6.303 -8.136 -8.489 1.00 0.00 N ATOM 763 CA GLY A 53 -6.816 -9.443 -8.867 1.00 0.00 C ATOM 764 C GLY A 53 -6.608 -10.459 -7.742 1.00 0.00 C ATOM 765 O GLY A 53 -7.333 -11.449 -7.653 1.00 0.00 O ATOM 0 H GLY A 53 -5.677 -7.710 -9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.878 -9.367 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.313 -9.788 -9.771 1.00 0.00 H new ATOM 769 N ARG A 54 -5.615 -10.180 -6.911 1.00 0.00 N ATOM 770 CA ARG A 54 -5.303 -11.058 -5.797 1.00 0.00 C ATOM 771 C ARG A 54 -5.204 -10.252 -4.499 1.00 0.00 C ATOM 772 O ARG A 54 -5.460 -9.049 -4.489 1.00 0.00 O ATOM 773 CB ARG A 54 -3.985 -11.798 -6.031 1.00 0.00 C ATOM 774 CG ARG A 54 -4.150 -12.889 -7.092 1.00 0.00 C ATOM 775 CD ARG A 54 -4.775 -14.148 -6.489 1.00 0.00 C ATOM 776 NE ARG A 54 -4.929 -15.186 -7.534 1.00 0.00 N ATOM 777 CZ ARG A 54 -5.994 -15.286 -8.342 1.00 0.00 C ATOM 778 NH1 ARG A 54 -7.004 -14.413 -8.231 1.00 0.00 N ATOM 779 NH2 ARG A 54 -6.047 -16.259 -9.262 1.00 0.00 N ATOM 0 H ARG A 54 -5.016 -9.358 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.107 -11.789 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.218 -11.091 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.643 -12.243 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.777 -12.520 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.179 -13.131 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.148 -14.524 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.746 -13.910 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.178 -15.867 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.963 -13.672 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.814 -14.489 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.277 -16.923 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.857 -16.336 -9.877 1.00 0.00 H new ATOM 790 N THR A 55 -4.832 -10.949 -3.435 1.00 0.00 N ATOM 791 CA THR A 55 -4.696 -10.314 -2.135 1.00 0.00 C ATOM 792 C THR A 55 -3.266 -10.470 -1.613 1.00 0.00 C ATOM 793 O THR A 55 -2.352 -10.775 -2.377 1.00 0.00 O ATOM 794 CB THR A 55 -5.752 -10.913 -1.204 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.436 -12.303 -1.170 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.157 -10.865 -1.805 1.00 0.00 C ATOM 0 H THR A 55 -4.621 -11.947 -3.447 1.00 0.00 H new ATOM 0 HA THR A 55 -4.870 -9.240 -2.199 1.00 0.00 H new ATOM 0 HB THR A 55 -5.745 -10.377 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.669 -12.712 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.868 -11.302 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.433 -9.829 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.173 -11.429 -2.738 1.00 0.00 H new ATOM 804 N LEU A 56 -3.117 -10.253 -0.314 1.00 0.00 N ATOM 805 CA LEU A 56 -1.815 -10.365 0.319 1.00 0.00 C ATOM 806 C LEU A 56 -1.494 -11.843 0.557 1.00 0.00 C ATOM 807 O LEU A 56 -0.371 -12.284 0.314 1.00 0.00 O ATOM 808 CB LEU A 56 -1.761 -9.513 1.589 1.00 0.00 C ATOM 809 CG LEU A 56 -2.383 -8.118 1.486 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.223 -7.349 2.800 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.806 -7.347 0.297 1.00 0.00 C ATOM 0 H LEU A 56 -3.877 -10.000 0.317 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.038 -9.970 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.264 -10.056 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.718 -9.403 1.886 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.452 -8.232 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.673 -6.361 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.718 -7.894 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.163 -7.243 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.265 -6.359 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.728 -7.241 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.013 -7.891 -0.625 1.00 0.00 H new ATOM 822 N SER A 57 -2.499 -12.565 1.029 1.00 0.00 N ATOM 823 CA SER A 57 -2.337 -13.983 1.302 1.00 0.00 C ATOM 824 C SER A 57 -2.005 -14.731 0.009 1.00 0.00 C ATOM 825 O SER A 57 -1.542 -15.870 0.047 1.00 0.00 O ATOM 826 CB SER A 57 -3.596 -14.567 1.945 1.00 0.00 C ATOM 827 OG SER A 57 -4.691 -14.608 1.033 1.00 0.00 O ATOM 0 H SER A 57 -3.428 -12.195 1.229 1.00 0.00 H new ATOM 0 HA SER A 57 -1.513 -14.104 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.386 -15.574 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.870 -13.969 2.814 1.00 0.00 H new ATOM 0 HG SER A 57 -4.700 -13.789 0.495 1.00 0.00 H new ATOM 832 N ASP A 58 -2.255 -14.059 -1.105 1.00 0.00 N ATOM 833 CA ASP A 58 -1.989 -14.646 -2.408 1.00 0.00 C ATOM 834 C ASP A 58 -0.564 -14.293 -2.840 1.00 0.00 C ATOM 835 O ASP A 58 0.109 -15.094 -3.486 1.00 0.00 O ATOM 836 CB ASP A 58 -2.952 -14.101 -3.465 1.00 0.00 C ATOM 837 CG ASP A 58 -4.402 -14.568 -3.321 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.612 -15.797 -3.404 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.266 -13.686 -3.130 1.00 0.00 O ATOM 0 H ASP A 58 -2.639 -13.114 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.118 -15.725 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.931 -13.012 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.589 -14.392 -4.451 1.00 0.00 H new ATOM 843 N TYR A 59 -0.146 -13.092 -2.465 1.00 0.00 N ATOM 844 CA TYR A 59 1.186 -12.623 -2.806 1.00 0.00 C ATOM 845 C TYR A 59 2.170 -12.894 -1.666 1.00 0.00 C ATOM 846 O TYR A 59 3.353 -12.575 -1.774 1.00 0.00 O ATOM 847 CB TYR A 59 1.062 -11.111 -3.008 1.00 0.00 C ATOM 848 CG TYR A 59 0.279 -10.713 -4.261 1.00 0.00 C ATOM 849 CD1 TYR A 59 -0.163 -11.685 -5.135 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.016 -9.383 -4.516 1.00 0.00 C ATOM 851 CE1 TYR A 59 -0.899 -11.310 -6.315 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.720 -9.008 -5.696 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.141 -9.990 -6.537 1.00 0.00 C ATOM 854 OH TYR A 59 -1.836 -9.637 -7.651 1.00 0.00 O ATOM 0 H TYR A 59 -0.707 -12.430 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 59 1.558 -13.134 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.575 -10.677 -2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.061 -10.679 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.043 -12.726 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.362 -8.623 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.251 -12.060 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.933 -7.971 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.302 -8.790 -7.491 1.00 0.00 H new ATOM 863 N ASN A 60 1.645 -13.481 -0.600 1.00 0.00 N ATOM 864 CA ASN A 60 2.463 -13.798 0.558 1.00 0.00 C ATOM 865 C ASN A 60 2.860 -12.502 1.267 1.00 0.00 C ATOM 866 O ASN A 60 3.876 -12.456 1.960 1.00 0.00 O ATOM 867 CB ASN A 60 3.745 -14.523 0.145 1.00 0.00 C ATOM 868 CG ASN A 60 3.499 -15.430 -1.063 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.095 -15.019 -2.179 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 2.813 -16.436 -0.986 1.00 0.00 N flip ATOM 0 H ASN A 60 0.664 -13.745 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 60 1.880 -14.443 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.518 -13.793 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.116 -15.117 0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.384 -16.694 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.668 -17.019 -1.810 1.00 0.00 H new ATOM 876 N ILE A 61 2.038 -11.482 1.071 1.00 0.00 N ATOM 877 CA ILE A 61 2.291 -10.189 1.683 1.00 0.00 C ATOM 878 C ILE A 61 1.840 -10.225 3.145 1.00 0.00 C ATOM 879 O ILE A 61 0.723 -9.819 3.464 1.00 0.00 O ATOM 880 CB ILE A 61 1.639 -9.072 0.866 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.443 -8.779 -0.402 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.432 -7.818 1.717 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.592 -8.034 -1.433 1.00 0.00 C ATOM 0 H ILE A 61 1.196 -11.525 0.497 1.00 0.00 H new ATOM 0 HA ILE A 61 3.359 -9.970 1.683 1.00 0.00 H new ATOM 0 HB ILE A 61 0.653 -9.412 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.320 -8.183 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.805 -9.713 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.967 -7.040 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.786 -8.055 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.395 -7.465 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.188 -7.839 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.729 -8.643 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.252 -7.089 -1.010 1.00 0.00 H new ATOM 894 N GLN A 62 2.732 -10.715 3.994 1.00 0.00 N ATOM 895 CA GLN A 62 2.439 -10.809 5.414 1.00 0.00 C ATOM 896 C GLN A 62 2.596 -9.441 6.081 1.00 0.00 C ATOM 897 O GLN A 62 2.816 -8.438 5.403 1.00 0.00 O ATOM 898 CB GLN A 62 3.330 -11.854 6.089 1.00 0.00 C ATOM 899 CG GLN A 62 2.998 -13.262 5.590 1.00 0.00 C ATOM 900 CD GLN A 62 4.191 -14.203 5.772 1.00 0.00 C ATOM 901 OE1 GLN A 62 4.239 -15.017 6.679 1.00 0.00 O ATOM 902 NE2 GLN A 62 5.147 -14.046 4.861 1.00 0.00 N ATOM 0 H GLN A 62 3.657 -11.051 3.726 1.00 0.00 H new ATOM 0 HA GLN A 62 1.404 -11.131 5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.377 -11.630 5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.197 -11.807 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.137 -13.651 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.719 -13.222 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.042 -13.345 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.985 -14.627 4.896 1.00 0.00 H new ATOM 909 N LYS A 63 2.478 -9.444 7.401 1.00 0.00 N ATOM 910 CA LYS A 63 2.605 -8.215 8.165 1.00 0.00 C ATOM 911 C LYS A 63 4.076 -7.796 8.208 1.00 0.00 C ATOM 912 O LYS A 63 4.968 -8.637 8.108 1.00 0.00 O ATOM 913 CB LYS A 63 1.971 -8.377 9.548 1.00 0.00 C ATOM 914 CG LYS A 63 2.373 -9.711 10.182 1.00 0.00 C ATOM 915 CD LYS A 63 2.558 -9.566 11.694 1.00 0.00 C ATOM 916 CE LYS A 63 3.193 -10.823 12.293 1.00 0.00 C ATOM 917 NZ LYS A 63 4.031 -10.475 13.462 1.00 0.00 N ATOM 0 H LYS A 63 2.296 -10.277 7.960 1.00 0.00 H new ATOM 0 HA LYS A 63 2.057 -7.407 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.282 -7.555 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.886 -8.323 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.609 -10.461 9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.299 -10.067 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.186 -8.701 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.593 -9.382 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.414 -11.524 12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.800 -11.325 11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.440 -11.342 13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.796 -9.837 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.446 -10.001 14.180 1.00 0.00 H new ATOM 927 N GLU A 64 4.283 -6.496 8.357 1.00 0.00 N ATOM 928 CA GLU A 64 5.630 -5.954 8.415 1.00 0.00 C ATOM 929 C GLU A 64 6.275 -5.986 7.027 1.00 0.00 C ATOM 930 O GLU A 64 7.476 -6.217 6.902 1.00 0.00 O ATOM 931 CB GLU A 64 6.484 -6.714 9.432 1.00 0.00 C ATOM 932 CG GLU A 64 5.707 -6.954 10.729 1.00 0.00 C ATOM 933 CD GLU A 64 5.829 -8.412 11.179 1.00 0.00 C ATOM 934 OE1 GLU A 64 5.948 -9.275 10.283 1.00 0.00 O ATOM 935 OE2 GLU A 64 5.802 -8.629 12.409 1.00 0.00 O ATOM 0 H GLU A 64 3.540 -5.802 8.439 1.00 0.00 H new ATOM 0 HA GLU A 64 5.569 -4.916 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.796 -7.669 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.391 -6.148 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.085 -6.295 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.657 -6.702 10.580 1.00 0.00 H new ATOM 940 N SER A 65 5.447 -5.749 6.020 1.00 0.00 N ATOM 941 CA SER A 65 5.921 -5.747 4.646 1.00 0.00 C ATOM 942 C SER A 65 6.264 -4.321 4.213 1.00 0.00 C ATOM 943 O SER A 65 5.799 -3.356 4.817 1.00 0.00 O ATOM 944 CB SER A 65 4.878 -6.351 3.703 1.00 0.00 C ATOM 945 OG SER A 65 4.995 -7.769 3.616 1.00 0.00 O ATOM 0 H SER A 65 4.451 -5.557 6.128 1.00 0.00 H new ATOM 0 HA SER A 65 6.819 -6.362 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.879 -6.090 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.992 -5.916 2.710 1.00 0.00 H new ATOM 0 HG SER A 65 4.322 -8.189 4.192 1.00 0.00 H new ATOM 950 N THR A 66 7.076 -4.232 3.170 1.00 0.00 N ATOM 951 CA THR A 66 7.488 -2.939 2.649 1.00 0.00 C ATOM 952 C THR A 66 7.218 -2.860 1.145 1.00 0.00 C ATOM 953 O THR A 66 7.913 -3.492 0.352 1.00 0.00 O ATOM 954 CB THR A 66 8.958 -2.729 3.014 1.00 0.00 C ATOM 955 OG1 THR A 66 9.027 -3.078 4.395 1.00 0.00 O ATOM 956 CG2 THR A 66 9.364 -1.255 2.981 1.00 0.00 C ATOM 0 H THR A 66 7.460 -5.035 2.671 1.00 0.00 H new ATOM 0 HA THR A 66 6.909 -2.130 3.095 1.00 0.00 H new ATOM 0 HB THR A 66 9.587 -3.294 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.948 -2.972 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.417 -1.162 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.207 -0.857 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.758 -0.695 3.693 1.00 0.00 H new ATOM 964 N LEU A 67 6.206 -2.079 0.798 1.00 0.00 N ATOM 965 CA LEU A 67 5.835 -1.908 -0.596 1.00 0.00 C ATOM 966 C LEU A 67 6.593 -0.714 -1.178 1.00 0.00 C ATOM 967 O LEU A 67 6.873 0.253 -0.470 1.00 0.00 O ATOM 968 CB LEU A 67 4.315 -1.801 -0.737 1.00 0.00 C ATOM 969 CG LEU A 67 3.504 -2.961 -0.157 1.00 0.00 C ATOM 970 CD1 LEU A 67 4.159 -4.305 -0.482 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.286 -2.779 1.346 1.00 0.00 C ATOM 0 H LEU A 67 5.631 -1.557 1.459 1.00 0.00 H new ATOM 0 HA LEU A 67 6.124 -2.783 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.989 -0.879 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.074 -1.709 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 67 2.521 -2.960 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.562 -5.113 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.220 -4.428 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.162 -4.333 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.707 -3.617 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.251 -2.740 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.745 -1.850 1.525 1.00 0.00 H new ATOM 982 N HIS A 68 6.903 -0.818 -2.462 1.00 0.00 N ATOM 983 CA HIS A 68 7.622 0.241 -3.147 1.00 0.00 C ATOM 984 C HIS A 68 6.630 1.138 -3.889 1.00 0.00 C ATOM 985 O HIS A 68 5.880 0.668 -4.744 1.00 0.00 O ATOM 986 CB HIS A 68 8.698 -0.340 -4.067 1.00 0.00 C ATOM 987 CG HIS A 68 9.867 -0.952 -3.334 1.00 0.00 C ATOM 988 ND1 HIS A 68 11.171 -0.524 -3.512 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.916 -1.963 -2.420 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.960 -1.252 -2.735 1.00 0.00 C ATOM 991 NE2 HIS A 68 11.180 -2.144 -2.059 1.00 0.00 N ATOM 0 H HIS A 68 6.669 -1.621 -3.046 1.00 0.00 H new ATOM 0 HA HIS A 68 8.145 0.861 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.245 -1.099 -4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.066 0.449 -4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.069 -2.522 -2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.032 -1.156 -2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.513 -2.836 -1.387 1.00 0.00 H new ATOM 998 N LEU A 69 6.656 2.415 -3.535 1.00 0.00 N ATOM 999 CA LEU A 69 5.769 3.383 -4.156 1.00 0.00 C ATOM 1000 C LEU A 69 6.331 3.781 -5.522 1.00 0.00 C ATOM 1001 O LEU A 69 7.347 3.243 -5.960 1.00 0.00 O ATOM 1002 CB LEU A 69 5.530 4.570 -3.220 1.00 0.00 C ATOM 1003 CG LEU A 69 4.110 4.717 -2.672 1.00 0.00 C ATOM 1004 CD1 LEU A 69 4.003 5.925 -1.739 1.00 0.00 C ATOM 1005 CD2 LEU A 69 3.086 4.778 -3.808 1.00 0.00 C ATOM 0 H LEU A 69 7.278 2.801 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 69 4.788 2.942 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.216 4.487 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.789 5.485 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 69 3.881 3.831 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.983 6.006 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.689 5.800 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.261 6.832 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.085 4.883 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.303 5.633 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.140 3.862 -4.396 1.00 0.00 H new ATOM 1016 N VAL A 70 5.645 4.720 -6.158 1.00 0.00 N ATOM 1017 CA VAL A 70 6.063 5.196 -7.466 1.00 0.00 C ATOM 1018 C VAL A 70 5.999 6.725 -7.492 1.00 0.00 C ATOM 1019 O VAL A 70 5.764 7.357 -6.464 1.00 0.00 O ATOM 1020 CB VAL A 70 5.213 4.543 -8.558 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.680 3.112 -8.834 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.729 4.574 -8.188 1.00 0.00 C ATOM 0 H VAL A 70 4.803 5.164 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 70 7.096 4.910 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 70 5.342 5.120 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.059 2.671 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.720 3.125 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.594 2.519 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.147 4.104 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.575 4.032 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.406 5.608 -8.065 1.00 0.00 H new ATOM 1032 N LEU A 71 6.212 7.274 -8.679 1.00 0.00 N ATOM 1033 CA LEU A 71 6.181 8.716 -8.853 1.00 0.00 C ATOM 1034 C LEU A 71 4.753 9.155 -9.184 1.00 0.00 C ATOM 1035 O LEU A 71 3.812 8.378 -9.038 1.00 0.00 O ATOM 1036 CB LEU A 71 7.216 9.154 -9.891 1.00 0.00 C ATOM 1037 CG LEU A 71 7.113 8.484 -11.263 1.00 0.00 C ATOM 1038 CD1 LEU A 71 7.885 7.164 -11.290 1.00 0.00 C ATOM 1039 CD2 LEU A 71 5.651 8.302 -11.675 1.00 0.00 C ATOM 0 H LEU A 71 6.407 6.746 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 71 6.462 9.217 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.131 10.232 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.210 8.961 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 71 7.576 9.141 -11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.795 6.710 -12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.936 7.353 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.475 6.487 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.606 7.824 -12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.141 7.677 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.163 9.275 -11.724 1.00 0.00 H new ATOM 1050 N ARG A 72 4.638 10.399 -9.625 1.00 0.00 N ATOM 1051 CA ARG A 72 3.342 10.950 -9.980 1.00 0.00 C ATOM 1052 C ARG A 72 2.670 11.559 -8.747 1.00 0.00 C ATOM 1053 O ARG A 72 1.443 11.582 -8.654 1.00 0.00 O ATOM 1054 CB ARG A 72 2.429 9.874 -10.572 1.00 0.00 C ATOM 1055 CG ARG A 72 1.315 10.503 -11.411 1.00 0.00 C ATOM 1056 CD ARG A 72 1.527 10.222 -12.901 1.00 0.00 C ATOM 1057 NE ARG A 72 0.256 9.785 -13.520 1.00 0.00 N ATOM 1058 CZ ARG A 72 0.092 9.575 -14.832 1.00 0.00 C ATOM 1059 NH1 ARG A 72 1.118 9.763 -15.674 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -1.098 9.180 -15.306 1.00 0.00 N ATOM 0 H ARG A 72 5.422 11.041 -9.744 1.00 0.00 H new ATOM 0 HA ARG A 72 3.504 11.724 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.015 9.194 -11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.993 9.279 -9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.350 10.107 -11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.289 11.579 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.894 11.119 -13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.287 9.452 -13.030 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.546 9.634 -12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.023 10.066 -15.315 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.993 9.603 -16.674 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.880 9.039 -14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.221 9.020 -16.306 1.00 0.00 H new ATOM 1071 N LEU A 73 3.501 12.035 -7.833 1.00 0.00 N ATOM 1072 CA LEU A 73 3.003 12.641 -6.610 1.00 0.00 C ATOM 1073 C LEU A 73 4.185 13.070 -5.739 1.00 0.00 C ATOM 1074 O LEU A 73 5.328 13.069 -6.194 1.00 0.00 O ATOM 1075 CB LEU A 73 2.028 11.698 -5.903 1.00 0.00 C ATOM 1076 CG LEU A 73 0.545 11.910 -6.212 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -0.084 10.637 -6.784 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -0.206 12.418 -4.980 1.00 0.00 C ATOM 0 H LEU A 73 4.518 12.013 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 73 2.432 13.541 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.290 10.673 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.172 11.798 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 73 0.463 12.681 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.138 10.815 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.429 10.360 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.009 9.828 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.258 12.560 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.118 11.689 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.222 13.367 -4.659 1.00 0.00 H new ATOM 1089 N ARG A 74 3.871 13.425 -4.502 1.00 0.00 N ATOM 1090 CA ARG A 74 4.892 13.854 -3.563 1.00 0.00 C ATOM 1091 C ARG A 74 5.744 12.661 -3.125 1.00 0.00 C ATOM 1092 O ARG A 74 5.744 11.620 -3.778 1.00 0.00 O ATOM 1093 CB ARG A 74 4.267 14.508 -2.329 1.00 0.00 C ATOM 1094 CG ARG A 74 3.544 13.470 -1.467 1.00 0.00 C ATOM 1095 CD ARG A 74 2.034 13.509 -1.714 1.00 0.00 C ATOM 1096 NE ARG A 74 1.565 14.912 -1.761 1.00 0.00 N ATOM 1097 CZ ARG A 74 1.286 15.647 -0.675 1.00 0.00 C ATOM 1098 NH1 ARG A 74 1.428 15.118 0.548 1.00 0.00 N ATOM 1099 NH2 ARG A 74 0.866 16.912 -0.813 1.00 0.00 N ATOM 0 H ARG A 74 2.922 13.424 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 74 5.520 14.588 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.042 14.999 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.565 15.282 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.927 12.475 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.749 13.660 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.797 13.006 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.514 12.969 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 74 1.447 15.347 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.749 14.155 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.216 15.678 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.759 17.315 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.654 17.472 0.013 1.00 0.00 H new ATOM 1110 N GLY A 75 6.453 12.855 -2.021 1.00 0.00 N ATOM 1111 CA GLY A 75 7.307 11.809 -1.487 1.00 0.00 C ATOM 1112 C GLY A 75 7.104 11.652 0.021 1.00 0.00 C ATOM 1113 O GLY A 75 8.064 11.707 0.789 1.00 0.00 O ATOM 0 H GLY A 75 6.453 13.721 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.088 10.865 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.351 12.045 -1.694 1.00 0.00 H new ATOM 1117 N GLY A 76 5.850 11.460 0.401 1.00 0.00 N ATOM 1118 CA GLY A 76 5.510 11.295 1.804 1.00 0.00 C ATOM 1119 C GLY A 76 4.155 11.934 2.119 1.00 0.00 C ATOM 1120 O GLY A 76 3.887 12.297 3.262 1.00 0.00 O ATOM 0 H GLY A 76 5.056 11.415 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.482 10.234 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.283 11.748 2.425 1.00 0.00 H new TER 1124 GLY A 76