USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 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 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 SER OG : rot -120:sc= -0.297 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=-0.4) USER MOD Set 2.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ -160:sc= -0.0854 (180deg=-0.622) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.215 K(o=-0.22,f=0.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.1 USER MOD Single : A 18 SER OG : rot -45:sc= 0.248 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.677 K(o=-0.68,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00436) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 47 THR OG1 : rot -71:sc= -0.418 USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0562) USER MOD Single : A 49 MET CE :methyl 166:sc= -0.028 (180deg=-0.275) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0678 (180deg=-0.323) USER MOD Single : A 56 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-2.9!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -41:sc= 0.539 USER MOD Single : A 77 THR OG1 : rot 61:sc= 0.161 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -18.213 31.217 9.782 1.00 61.24 N ATOM 2 CA ILE A 1 -17.157 30.643 8.919 1.00 50.13 C ATOM 3 C ILE A 1 -16.944 29.162 9.269 1.00 50.32 C ATOM 4 O ILE A 1 -16.160 28.825 10.166 1.00 71.02 O ATOM 5 CB ILE A 1 -15.804 31.450 9.045 1.00 52.24 C ATOM 6 CG1 ILE A 1 -16.041 32.963 8.733 1.00 0.11 C ATOM 7 CG2 ILE A 1 -14.700 30.862 8.124 1.00 2.23 C ATOM 8 CD1 ILE A 1 -14.820 33.859 8.885 1.00 54.21 C ATOM 0 H1 ILE A 1 -18.591 32.080 9.341 1.00 61.24 H new ATOM 0 H2 ILE A 1 -18.980 30.524 9.900 1.00 61.24 H new ATOM 0 H3 ILE A 1 -17.812 31.451 10.712 1.00 61.24 H new ATOM 0 HA ILE A 1 -17.484 30.719 7.882 1.00 50.13 H new ATOM 0 HB ILE A 1 -15.454 31.357 10.073 1.00 52.24 H new ATOM 0 HG12 ILE A 1 -16.412 33.052 7.712 1.00 0.11 H new ATOM 0 HG13 ILE A 1 -16.827 33.334 9.391 1.00 0.11 H new ATOM 0 HG21 ILE A 1 -13.784 31.442 8.237 1.00 2.23 H new ATOM 0 HG22 ILE A 1 -14.509 29.825 8.401 1.00 2.23 H new ATOM 0 HG23 ILE A 1 -15.031 30.905 7.086 1.00 2.23 H new ATOM 0 HD11 ILE A 1 -15.091 34.887 8.646 1.00 54.21 H new ATOM 0 HD12 ILE A 1 -14.457 33.809 9.912 1.00 54.21 H new ATOM 0 HD13 ILE A 1 -14.036 33.523 8.207 1.00 54.21 H new ATOM 22 N LEU A 2 -17.698 28.280 8.597 1.00 13.25 N ATOM 23 CA LEU A 2 -17.580 26.828 8.773 1.00 55.14 C ATOM 24 C LEU A 2 -16.608 26.277 7.710 1.00 31.22 C ATOM 25 O LEU A 2 -16.948 26.201 6.527 1.00 24.51 O ATOM 26 CB LEU A 2 -18.998 26.171 8.684 1.00 2.51 C ATOM 27 CG LEU A 2 -19.141 24.668 9.150 1.00 50.41 C ATOM 28 CD1 LEU A 2 -18.582 23.646 8.126 1.00 73.22 C ATOM 29 CD2 LEU A 2 -18.496 24.459 10.539 1.00 2.43 C ATOM 0 H LEU A 2 -18.406 28.555 7.916 1.00 13.25 H new ATOM 0 HA LEU A 2 -17.176 26.587 9.756 1.00 55.14 H new ATOM 0 HB2 LEU A 2 -19.685 26.773 9.279 1.00 2.51 H new ATOM 0 HB3 LEU A 2 -19.333 26.235 7.649 1.00 2.51 H new ATOM 0 HG LEU A 2 -20.211 24.474 9.220 1.00 50.41 H new ATOM 0 HD11 LEU A 2 -18.714 22.635 8.512 1.00 73.22 H new ATOM 0 HD12 LEU A 2 -19.118 23.747 7.182 1.00 73.22 H new ATOM 0 HD13 LEU A 2 -17.521 23.837 7.963 1.00 73.22 H new ATOM 0 HD21 LEU A 2 -18.607 23.417 10.839 1.00 2.43 H new ATOM 0 HD22 LEU A 2 -17.437 24.712 10.490 1.00 2.43 H new ATOM 0 HD23 LEU A 2 -18.989 25.101 11.269 1.00 2.43 H new ATOM 41 N GLU A 3 -15.396 25.910 8.146 1.00 22.11 N ATOM 42 CA GLU A 3 -14.381 25.294 7.279 1.00 10.34 C ATOM 43 C GLU A 3 -14.561 23.772 7.257 1.00 12.12 C ATOM 44 O GLU A 3 -14.087 23.067 8.150 1.00 5.23 O ATOM 45 CB GLU A 3 -12.965 25.690 7.766 1.00 20.40 C ATOM 46 CG GLU A 3 -12.697 27.210 7.748 1.00 42.24 C ATOM 47 CD GLU A 3 -12.773 27.822 6.341 1.00 25.43 C ATOM 48 OE1 GLU A 3 -11.742 27.843 5.636 1.00 2.43 O ATOM 49 OE2 GLU A 3 -13.863 28.266 5.927 1.00 53.20 O ATOM 0 H GLU A 3 -15.090 26.032 9.111 1.00 22.11 H new ATOM 0 HA GLU A 3 -14.503 25.659 6.259 1.00 10.34 H new ATOM 0 HB2 GLU A 3 -12.824 25.319 8.781 1.00 20.40 H new ATOM 0 HB3 GLU A 3 -12.224 25.193 7.139 1.00 20.40 H new ATOM 0 HG2 GLU A 3 -13.421 27.708 8.393 1.00 42.24 H new ATOM 0 HG3 GLU A 3 -11.710 27.403 8.168 1.00 42.24 H new ATOM 56 N ALA A 4 -15.243 23.279 6.212 1.00 45.25 N ATOM 57 CA ALA A 4 -15.550 21.840 6.014 1.00 24.32 C ATOM 58 C ALA A 4 -14.318 21.034 5.530 1.00 42.01 C ATOM 59 O ALA A 4 -14.443 19.866 5.153 1.00 42.32 O ATOM 60 CB ALA A 4 -16.716 21.709 5.014 1.00 73.02 C ATOM 0 H ALA A 4 -15.606 23.872 5.465 1.00 45.25 H new ATOM 0 HA ALA A 4 -15.836 21.416 6.977 1.00 24.32 H new ATOM 0 HB1 ALA A 4 -16.949 20.655 4.862 1.00 73.02 H new ATOM 0 HB2 ALA A 4 -17.593 22.221 5.409 1.00 73.02 H new ATOM 0 HB3 ALA A 4 -16.432 22.158 4.063 1.00 73.02 H new ATOM 66 N HIS A 5 -13.132 21.669 5.560 1.00 54.23 N ATOM 67 CA HIS A 5 -11.865 21.087 5.113 1.00 42.21 C ATOM 68 C HIS A 5 -10.807 21.287 6.213 1.00 22.24 C ATOM 69 O HIS A 5 -10.450 22.429 6.547 1.00 30.51 O ATOM 70 CB HIS A 5 -11.424 21.747 3.770 1.00 61.00 C ATOM 71 CG HIS A 5 -11.317 23.260 3.813 1.00 14.40 C ATOM 72 ND1 HIS A 5 -10.122 23.928 4.008 1.00 53.42 N ATOM 73 CD2 HIS A 5 -12.262 24.234 3.702 1.00 32.11 C ATOM 74 CE1 HIS A 5 -10.343 25.227 4.027 1.00 62.22 C ATOM 75 NE2 HIS A 5 -11.630 25.440 3.847 1.00 2.23 N ATOM 0 H HIS A 5 -13.032 22.624 5.905 1.00 54.23 H new ATOM 0 HA HIS A 5 -11.983 20.018 4.934 1.00 42.21 H new ATOM 0 HB2 HIS A 5 -10.457 21.336 3.479 1.00 61.00 H new ATOM 0 HB3 HIS A 5 -12.136 21.468 2.993 1.00 61.00 H new ATOM 0 HD2 HIS A 5 -13.318 24.083 3.531 1.00 32.11 H new ATOM 0 HE1 HIS A 5 -9.592 25.991 4.167 1.00 62.22 H new ATOM 0 HE2 HIS A 5 -12.082 26.354 3.820 1.00 2.23 H new ATOM 84 N TYR A 6 -10.357 20.187 6.828 1.00 4.44 N ATOM 85 CA TYR A 6 -9.226 20.222 7.765 1.00 2.52 C ATOM 86 C TYR A 6 -7.921 20.130 6.955 1.00 20.44 C ATOM 87 O TYR A 6 -7.573 19.055 6.444 1.00 15.33 O ATOM 88 CB TYR A 6 -9.316 19.081 8.819 1.00 61.50 C ATOM 89 CG TYR A 6 -8.185 19.123 9.870 1.00 54.54 C ATOM 90 CD1 TYR A 6 -7.130 18.195 9.861 1.00 64.44 C ATOM 91 CD2 TYR A 6 -8.160 20.114 10.860 1.00 32.22 C ATOM 92 CE1 TYR A 6 -6.104 18.265 10.787 1.00 61.02 C ATOM 93 CE2 TYR A 6 -7.136 20.179 11.788 1.00 35.53 C ATOM 94 CZ TYR A 6 -6.116 19.254 11.747 1.00 50.31 C ATOM 95 OH TYR A 6 -5.089 19.330 12.660 1.00 72.32 O ATOM 0 H TYR A 6 -10.759 19.259 6.694 1.00 4.44 H new ATOM 0 HA TYR A 6 -9.249 21.158 8.323 1.00 2.52 H new ATOM 0 HB2 TYR A 6 -10.277 19.143 9.329 1.00 61.50 H new ATOM 0 HB3 TYR A 6 -9.289 18.120 8.306 1.00 61.50 H new ATOM 0 HD1 TYR A 6 -7.120 17.412 9.117 1.00 64.44 H new ATOM 0 HD2 TYR A 6 -8.957 20.842 10.900 1.00 32.22 H new ATOM 0 HE1 TYR A 6 -5.297 17.548 10.758 1.00 61.02 H new ATOM 0 HE2 TYR A 6 -7.136 20.952 12.542 1.00 35.53 H new ATOM 0 HH TYR A 6 -5.246 20.083 13.268 1.00 72.32 H new ATOM 105 N THR A 7 -7.243 21.280 6.796 1.00 60.42 N ATOM 106 CA THR A 7 -5.968 21.376 6.078 1.00 63.50 C ATOM 107 C THR A 7 -4.848 20.719 6.932 1.00 52.20 C ATOM 108 O THR A 7 -4.242 21.352 7.812 1.00 34.03 O ATOM 109 CB THR A 7 -5.661 22.877 5.736 1.00 73.02 C ATOM 110 OG1 THR A 7 -6.812 23.456 5.076 1.00 51.31 O ATOM 111 CG2 THR A 7 -4.419 23.046 4.834 1.00 75.34 C ATOM 0 H THR A 7 -7.570 22.173 7.166 1.00 60.42 H new ATOM 0 HA THR A 7 -6.022 20.837 5.132 1.00 63.50 H new ATOM 0 HB THR A 7 -5.448 23.387 6.675 1.00 73.02 H new ATOM 0 HG1 THR A 7 -6.628 24.394 4.861 1.00 51.31 H new ATOM 0 HG21 THR A 7 -4.257 24.105 4.632 1.00 75.34 H new ATOM 0 HG22 THR A 7 -3.544 22.635 5.338 1.00 75.34 H new ATOM 0 HG23 THR A 7 -4.577 22.517 3.894 1.00 75.34 H new ATOM 119 N ASN A 8 -4.659 19.410 6.702 1.00 52.22 N ATOM 120 CA ASN A 8 -3.755 18.549 7.486 1.00 45.02 C ATOM 121 C ASN A 8 -2.341 18.540 6.897 1.00 33.34 C ATOM 122 O ASN A 8 -2.164 18.506 5.678 1.00 54.13 O ATOM 123 CB ASN A 8 -4.325 17.098 7.555 1.00 51.11 C ATOM 124 CG ASN A 8 -4.556 16.453 6.177 1.00 65.15 C ATOM 125 OD1 ASN A 8 -3.686 15.771 5.635 1.00 63.31 O ATOM 126 ND2 ASN A 8 -5.730 16.675 5.598 1.00 31.33 N ATOM 0 H ASN A 8 -5.138 18.910 5.953 1.00 52.22 H new ATOM 0 HA ASN A 8 -3.691 18.956 8.495 1.00 45.02 H new ATOM 0 HB2 ASN A 8 -3.637 16.475 8.126 1.00 51.11 H new ATOM 0 HB3 ASN A 8 -5.269 17.114 8.100 1.00 51.11 H new ATOM 0 HD21 ASN A 8 -5.930 16.276 4.681 1.00 31.33 H new ATOM 0 HD22 ASN A 8 -6.432 17.244 6.071 1.00 31.33 H new ATOM 133 N LEU A 9 -1.341 18.625 7.779 1.00 21.05 N ATOM 134 CA LEU A 9 0.074 18.401 7.433 1.00 44.54 C ATOM 135 C LEU A 9 0.384 16.898 7.484 1.00 54.52 C ATOM 136 O LEU A 9 1.211 16.399 6.708 1.00 31.35 O ATOM 137 CB LEU A 9 0.993 19.192 8.407 1.00 43.21 C ATOM 138 CG LEU A 9 2.545 18.959 8.288 1.00 15.04 C ATOM 139 CD1 LEU A 9 3.074 19.272 6.870 1.00 75.23 C ATOM 140 CD2 LEU A 9 3.303 19.770 9.366 1.00 13.40 C ATOM 0 H LEU A 9 -1.487 18.853 8.762 1.00 21.05 H new ATOM 0 HA LEU A 9 0.263 18.761 6.422 1.00 44.54 H new ATOM 0 HB2 LEU A 9 0.800 20.255 8.264 1.00 43.21 H new ATOM 0 HB3 LEU A 9 0.693 18.948 9.426 1.00 43.21 H new ATOM 0 HG LEU A 9 2.731 17.900 8.464 1.00 15.04 H new ATOM 0 HD11 LEU A 9 4.149 19.097 6.836 1.00 75.23 H new ATOM 0 HD12 LEU A 9 2.578 18.626 6.146 1.00 75.23 H new ATOM 0 HD13 LEU A 9 2.868 20.314 6.627 1.00 75.23 H new ATOM 0 HD21 LEU A 9 4.374 19.595 9.267 1.00 13.40 H new ATOM 0 HD22 LEU A 9 3.095 20.832 9.236 1.00 13.40 H new ATOM 0 HD23 LEU A 9 2.974 19.455 10.356 1.00 13.40 H new ATOM 152 N LYS A 10 -0.311 16.189 8.393 1.00 53.21 N ATOM 153 CA LYS A 10 -0.113 14.752 8.623 1.00 42.13 C ATOM 154 C LYS A 10 -0.530 13.913 7.399 1.00 31.44 C ATOM 155 O LYS A 10 -1.379 14.331 6.607 1.00 63.14 O ATOM 156 CB LYS A 10 -0.905 14.273 9.867 1.00 64.45 C ATOM 157 CG LYS A 10 -2.454 14.436 9.765 1.00 74.44 C ATOM 158 CD LYS A 10 -3.219 13.484 10.713 1.00 61.50 C ATOM 159 CE LYS A 10 -2.998 12.002 10.348 1.00 31.24 C ATOM 160 NZ LYS A 10 -3.704 11.088 11.281 1.00 61.02 N ATOM 0 H LYS A 10 -1.028 16.602 8.989 1.00 53.21 H new ATOM 0 HA LYS A 10 0.953 14.606 8.796 1.00 42.13 H new ATOM 0 HB2 LYS A 10 -0.676 13.222 10.042 1.00 64.45 H new ATOM 0 HB3 LYS A 10 -0.553 14.826 10.738 1.00 64.45 H new ATOM 0 HG2 LYS A 10 -2.723 15.466 9.998 1.00 74.44 H new ATOM 0 HG3 LYS A 10 -2.768 14.249 8.738 1.00 74.44 H new ATOM 0 HD2 LYS A 10 -2.894 13.657 11.739 1.00 61.50 H new ATOM 0 HD3 LYS A 10 -4.284 13.712 10.673 1.00 61.50 H new ATOM 0 HE2 LYS A 10 -3.348 11.823 9.331 1.00 31.24 H new ATOM 0 HE3 LYS A 10 -1.931 11.781 10.362 1.00 31.24 H new ATOM 0 HZ1 LYS A 10 -3.529 10.102 11.000 1.00 61.02 H new ATOM 0 HZ2 LYS A 10 -3.353 11.240 12.248 1.00 61.02 H new ATOM 0 HZ3 LYS A 10 -4.725 11.281 11.250 1.00 61.02 H new ATOM 174 N CYS A 11 0.081 12.728 7.264 1.00 14.04 N ATOM 175 CA CYS A 11 -0.287 11.756 6.229 1.00 33.45 C ATOM 176 C CYS A 11 -1.572 11.034 6.680 1.00 74.25 C ATOM 177 O CYS A 11 -1.572 10.378 7.728 1.00 24.53 O ATOM 178 CB CYS A 11 0.875 10.760 6.028 1.00 34.34 C ATOM 179 SG CYS A 11 2.496 11.564 5.781 1.00 12.25 S ATOM 0 H CYS A 11 0.842 12.418 7.868 1.00 14.04 H new ATOM 0 HA CYS A 11 -0.474 12.251 5.276 1.00 33.45 H new ATOM 0 HB2 CYS A 11 0.933 10.103 6.896 1.00 34.34 H new ATOM 0 HB3 CYS A 11 0.657 10.130 5.166 1.00 34.34 H new ATOM 184 N ARG A 12 -2.678 11.203 5.933 1.00 33.45 N ATOM 185 CA ARG A 12 -3.977 10.618 6.309 1.00 11.12 C ATOM 186 C ARG A 12 -4.083 9.159 5.822 1.00 55.41 C ATOM 187 O ARG A 12 -3.922 8.877 4.629 1.00 43.45 O ATOM 188 CB ARG A 12 -5.168 11.458 5.755 1.00 23.34 C ATOM 189 CG ARG A 12 -6.554 10.904 6.177 1.00 64.10 C ATOM 190 CD ARG A 12 -7.755 11.741 5.697 1.00 34.40 C ATOM 191 NE ARG A 12 -9.024 11.202 6.238 1.00 72.32 N ATOM 192 CZ ARG A 12 -10.203 11.153 5.596 1.00 52.54 C ATOM 193 NH1 ARG A 12 -10.339 11.623 4.360 1.00 43.14 N ATOM 194 NH2 ARG A 12 -11.252 10.614 6.202 1.00 2.32 N ATOM 0 H ARG A 12 -2.698 11.740 5.066 1.00 33.45 H new ATOM 0 HA ARG A 12 -4.035 10.630 7.397 1.00 11.12 H new ATOM 0 HB2 ARG A 12 -5.073 12.486 6.105 1.00 23.34 H new ATOM 0 HB3 ARG A 12 -5.110 11.485 4.667 1.00 23.34 H new ATOM 0 HG2 ARG A 12 -6.658 9.890 5.791 1.00 64.10 H new ATOM 0 HG3 ARG A 12 -6.587 10.836 7.264 1.00 64.10 H new ATOM 0 HD2 ARG A 12 -7.631 12.777 6.013 1.00 34.40 H new ATOM 0 HD3 ARG A 12 -7.791 11.742 4.608 1.00 34.40 H new ATOM 0 HE ARG A 12 -9.001 10.833 7.189 1.00 72.32 H new ATOM 0 HH11 ARG A 12 -9.538 12.032 3.879 1.00 43.14 H new ATOM 0 HH12 ARG A 12 -11.244 11.575 3.893 1.00 43.14 H new ATOM 0 HH21 ARG A 12 -11.159 10.241 7.147 1.00 2.32 H new ATOM 0 HH22 ARG A 12 -12.152 10.572 5.723 1.00 2.32 H new ATOM 208 N CYS A 13 -4.372 8.255 6.768 1.00 2.41 N ATOM 209 CA CYS A 13 -4.614 6.832 6.503 1.00 71.43 C ATOM 210 C CYS A 13 -5.723 6.308 7.411 1.00 63.31 C ATOM 211 O CYS A 13 -5.914 6.806 8.522 1.00 74.43 O ATOM 212 CB CYS A 13 -3.321 6.016 6.712 1.00 35.34 C ATOM 213 SG CYS A 13 -2.122 6.204 5.366 1.00 51.33 S ATOM 0 H CYS A 13 -4.445 8.497 7.756 1.00 2.41 H new ATOM 0 HA CYS A 13 -4.928 6.721 5.465 1.00 71.43 H new ATOM 0 HB2 CYS A 13 -2.855 6.322 7.649 1.00 35.34 H new ATOM 0 HB3 CYS A 13 -3.579 4.962 6.814 1.00 35.34 H new ATOM 218 N SER A 14 -6.448 5.301 6.917 1.00 43.14 N ATOM 219 CA SER A 14 -7.432 4.540 7.713 1.00 24.43 C ATOM 220 C SER A 14 -6.697 3.438 8.526 1.00 60.24 C ATOM 221 O SER A 14 -5.512 3.605 8.869 1.00 71.21 O ATOM 222 CB SER A 14 -8.487 3.946 6.748 1.00 40.03 C ATOM 223 OG SER A 14 -9.077 4.952 5.940 1.00 24.33 O ATOM 0 H SER A 14 -6.373 4.984 5.950 1.00 43.14 H new ATOM 0 HA SER A 14 -7.944 5.185 8.427 1.00 24.43 H new ATOM 0 HB2 SER A 14 -8.018 3.195 6.112 1.00 40.03 H new ATOM 0 HB3 SER A 14 -9.262 3.438 7.322 1.00 40.03 H new ATOM 0 HG SER A 14 -9.737 4.545 5.341 1.00 24.33 H new ATOM 229 N GLY A 15 -7.405 2.336 8.852 1.00 22.31 N ATOM 230 CA GLY A 15 -6.794 1.170 9.486 1.00 54.23 C ATOM 231 C GLY A 15 -5.729 0.503 8.606 1.00 43.51 C ATOM 232 O GLY A 15 -5.728 0.661 7.371 1.00 5.04 O ATOM 0 H GLY A 15 -8.406 2.239 8.681 1.00 22.31 H new ATOM 0 HA2 GLY A 15 -6.341 1.472 10.430 1.00 54.23 H new ATOM 0 HA3 GLY A 15 -7.570 0.443 9.723 1.00 54.23 H new ATOM 236 N VAL A 16 -4.830 -0.254 9.253 1.00 0.53 N ATOM 237 CA VAL A 16 -3.740 -0.984 8.583 1.00 11.34 C ATOM 238 C VAL A 16 -4.141 -2.461 8.486 1.00 10.42 C ATOM 239 O VAL A 16 -4.859 -2.970 9.358 1.00 11.03 O ATOM 240 CB VAL A 16 -2.359 -0.827 9.350 1.00 3.24 C ATOM 241 CG1 VAL A 16 -1.986 0.668 9.534 1.00 30.41 C ATOM 242 CG2 VAL A 16 -2.332 -1.577 10.715 1.00 14.25 C ATOM 0 H VAL A 16 -4.838 -0.379 10.265 1.00 0.53 H new ATOM 0 HA VAL A 16 -3.590 -0.565 7.588 1.00 11.34 H new ATOM 0 HB VAL A 16 -1.605 -1.299 8.720 1.00 3.24 H new ATOM 0 HG11 VAL A 16 -1.036 0.744 10.062 1.00 30.41 H new ATOM 0 HG12 VAL A 16 -1.897 1.144 8.557 1.00 30.41 H new ATOM 0 HG13 VAL A 16 -2.763 1.168 10.112 1.00 30.41 H new ATOM 0 HG21 VAL A 16 -1.362 -1.432 11.191 1.00 14.25 H new ATOM 0 HG22 VAL A 16 -3.116 -1.184 11.362 1.00 14.25 H new ATOM 0 HG23 VAL A 16 -2.499 -2.641 10.549 1.00 14.25 H new ATOM 252 N ILE A 17 -3.713 -3.129 7.410 1.00 3.41 N ATOM 253 CA ILE A 17 -4.038 -4.551 7.175 1.00 0.10 C ATOM 254 C ILE A 17 -3.085 -5.468 7.958 1.00 4.01 C ATOM 255 O ILE A 17 -1.913 -5.143 8.168 1.00 43.24 O ATOM 256 CB ILE A 17 -4.060 -4.923 5.626 1.00 24.42 C ATOM 257 CG1 ILE A 17 -2.678 -4.683 4.890 1.00 64.23 C ATOM 258 CG2 ILE A 17 -5.199 -4.145 4.919 1.00 14.33 C ATOM 259 CD1 ILE A 17 -1.722 -5.868 4.880 1.00 71.13 C ATOM 0 H ILE A 17 -3.137 -2.710 6.680 1.00 3.41 H new ATOM 0 HA ILE A 17 -5.050 -4.713 7.547 1.00 0.10 H new ATOM 0 HB ILE A 17 -4.243 -5.996 5.564 1.00 24.42 H new ATOM 0 HG12 ILE A 17 -2.882 -4.395 3.859 1.00 64.23 H new ATOM 0 HG13 ILE A 17 -2.177 -3.839 5.364 1.00 64.23 H new ATOM 0 HG21 ILE A 17 -5.212 -4.401 3.860 1.00 14.33 H new ATOM 0 HG22 ILE A 17 -6.155 -4.412 5.368 1.00 14.33 H new ATOM 0 HG23 ILE A 17 -5.032 -3.074 5.031 1.00 14.33 H new ATOM 0 HD11 ILE A 17 -0.809 -5.594 4.351 1.00 71.13 H new ATOM 0 HD12 ILE A 17 -1.478 -6.147 5.905 1.00 71.13 H new ATOM 0 HD13 ILE A 17 -2.194 -6.712 4.377 1.00 71.13 H new ATOM 271 N SER A 18 -3.636 -6.596 8.404 1.00 51.32 N ATOM 272 CA SER A 18 -2.894 -7.701 9.031 1.00 64.34 C ATOM 273 C SER A 18 -3.280 -9.013 8.313 1.00 62.52 C ATOM 274 O SER A 18 -3.261 -10.097 8.901 1.00 14.24 O ATOM 275 CB SER A 18 -3.221 -7.739 10.551 1.00 43.23 C ATOM 276 OG SER A 18 -2.422 -8.680 11.249 1.00 50.40 O ATOM 0 H SER A 18 -4.638 -6.776 8.340 1.00 51.32 H new ATOM 0 HA SER A 18 -1.817 -7.564 8.935 1.00 64.34 H new ATOM 0 HB2 SER A 18 -3.068 -6.748 10.978 1.00 43.23 H new ATOM 0 HB3 SER A 18 -4.274 -7.987 10.688 1.00 43.23 H new ATOM 0 HG SER A 18 -2.389 -9.519 10.744 1.00 50.40 H new ATOM 282 N THR A 19 -3.591 -8.876 7.010 1.00 24.12 N ATOM 283 CA THR A 19 -4.052 -9.968 6.140 1.00 40.44 C ATOM 284 C THR A 19 -3.395 -9.794 4.757 1.00 31.43 C ATOM 285 O THR A 19 -3.238 -8.656 4.302 1.00 24.12 O ATOM 286 CB THR A 19 -5.615 -9.935 5.989 1.00 4.15 C ATOM 287 OG1 THR A 19 -6.235 -9.898 7.287 1.00 15.04 O ATOM 288 CG2 THR A 19 -6.159 -11.144 5.205 1.00 35.03 C ATOM 0 H THR A 19 -3.526 -7.981 6.525 1.00 24.12 H new ATOM 0 HA THR A 19 -3.773 -10.926 6.579 1.00 40.44 H new ATOM 0 HB THR A 19 -5.859 -9.035 5.425 1.00 4.15 H new ATOM 0 HG1 THR A 19 -7.209 -9.876 7.184 1.00 15.04 H new ATOM 0 HG21 THR A 19 -7.244 -11.071 5.130 1.00 35.03 H new ATOM 0 HG22 THR A 19 -5.726 -11.154 4.205 1.00 35.03 H new ATOM 0 HG23 THR A 19 -5.892 -12.064 5.724 1.00 35.03 H new ATOM 296 N VAL A 20 -3.009 -10.911 4.107 1.00 63.32 N ATOM 297 CA VAL A 20 -2.458 -10.872 2.732 1.00 64.21 C ATOM 298 C VAL A 20 -3.533 -10.309 1.762 1.00 14.23 C ATOM 299 O VAL A 20 -4.606 -10.895 1.589 1.00 13.24 O ATOM 300 CB VAL A 20 -1.891 -12.273 2.216 1.00 43.00 C ATOM 301 CG1 VAL A 20 -0.706 -12.762 3.088 1.00 75.43 C ATOM 302 CG2 VAL A 20 -2.983 -13.379 2.091 1.00 3.15 C ATOM 0 H VAL A 20 -3.067 -11.847 4.507 1.00 63.32 H new ATOM 0 HA VAL A 20 -1.592 -10.211 2.756 1.00 64.21 H new ATOM 0 HB VAL A 20 -1.526 -12.088 1.206 1.00 43.00 H new ATOM 0 HG11 VAL A 20 -0.345 -13.718 2.708 1.00 75.43 H new ATOM 0 HG12 VAL A 20 0.100 -12.029 3.051 1.00 75.43 H new ATOM 0 HG13 VAL A 20 -1.039 -12.883 4.119 1.00 75.43 H new ATOM 0 HG21 VAL A 20 -2.526 -14.303 1.736 1.00 3.15 H new ATOM 0 HG22 VAL A 20 -3.439 -13.551 3.066 1.00 3.15 H new ATOM 0 HG23 VAL A 20 -3.748 -13.057 1.384 1.00 3.15 H new ATOM 312 N VAL A 21 -3.257 -9.127 1.193 1.00 13.11 N ATOM 313 CA VAL A 21 -4.203 -8.412 0.312 1.00 74.15 C ATOM 314 C VAL A 21 -3.961 -8.827 -1.149 1.00 12.20 C ATOM 315 O VAL A 21 -2.807 -8.994 -1.565 1.00 22.44 O ATOM 316 CB VAL A 21 -4.063 -6.858 0.472 1.00 50.35 C ATOM 317 CG1 VAL A 21 -5.099 -6.098 -0.381 1.00 30.52 C ATOM 318 CG2 VAL A 21 -4.172 -6.456 1.957 1.00 71.33 C ATOM 0 H VAL A 21 -2.373 -8.636 1.328 1.00 13.11 H new ATOM 0 HA VAL A 21 -5.219 -8.683 0.600 1.00 74.15 H new ATOM 0 HB VAL A 21 -3.075 -6.576 0.107 1.00 50.35 H new ATOM 0 HG11 VAL A 21 -4.968 -5.025 -0.242 1.00 30.52 H new ATOM 0 HG12 VAL A 21 -4.958 -6.347 -1.433 1.00 30.52 H new ATOM 0 HG13 VAL A 21 -6.105 -6.384 -0.072 1.00 30.52 H new ATOM 0 HG21 VAL A 21 -4.073 -5.374 2.049 1.00 71.33 H new ATOM 0 HG22 VAL A 21 -5.141 -6.766 2.348 1.00 71.33 H new ATOM 0 HG23 VAL A 21 -3.379 -6.943 2.525 1.00 71.33 H new ATOM 328 N GLY A 22 -5.059 -9.020 -1.896 1.00 3.30 N ATOM 329 CA GLY A 22 -5.000 -9.460 -3.280 1.00 1.11 C ATOM 330 C GLY A 22 -4.656 -8.337 -4.244 1.00 14.21 C ATOM 331 O GLY A 22 -5.275 -7.266 -4.199 1.00 1.31 O ATOM 0 H GLY A 22 -6.007 -8.873 -1.549 1.00 3.30 H new ATOM 0 HA2 GLY A 22 -4.257 -10.252 -3.373 1.00 1.11 H new ATOM 0 HA3 GLY A 22 -5.961 -9.891 -3.560 1.00 1.11 H new ATOM 335 N LEU A 23 -3.686 -8.616 -5.134 1.00 62.13 N ATOM 336 CA LEU A 23 -3.229 -7.698 -6.206 1.00 32.14 C ATOM 337 C LEU A 23 -4.423 -7.238 -7.081 1.00 62.22 C ATOM 338 O LEU A 23 -4.453 -6.101 -7.571 1.00 74.10 O ATOM 339 CB LEU A 23 -2.133 -8.437 -7.044 1.00 61.34 C ATOM 340 CG LEU A 23 -1.239 -7.594 -8.037 1.00 50.31 C ATOM 341 CD1 LEU A 23 0.079 -8.341 -8.341 1.00 40.02 C ATOM 342 CD2 LEU A 23 -1.961 -7.244 -9.364 1.00 61.23 C ATOM 0 H LEU A 23 -3.184 -9.504 -5.132 1.00 62.13 H new ATOM 0 HA LEU A 23 -2.798 -6.793 -5.776 1.00 32.14 H new ATOM 0 HB2 LEU A 23 -1.465 -8.940 -6.344 1.00 61.34 H new ATOM 0 HB3 LEU A 23 -2.630 -9.214 -7.625 1.00 61.34 H new ATOM 0 HG LEU A 23 -1.026 -6.652 -7.532 1.00 50.31 H new ATOM 0 HD11 LEU A 23 0.684 -7.747 -9.026 1.00 40.02 H new ATOM 0 HD12 LEU A 23 0.630 -8.498 -7.414 1.00 40.02 H new ATOM 0 HD13 LEU A 23 -0.146 -9.305 -8.797 1.00 40.02 H new ATOM 0 HD21 LEU A 23 -1.292 -6.665 -10.000 1.00 61.23 H new ATOM 0 HD22 LEU A 23 -2.245 -8.163 -9.877 1.00 61.23 H new ATOM 0 HD23 LEU A 23 -2.854 -6.658 -9.149 1.00 61.23 H new ATOM 354 N ASN A 24 -5.417 -8.143 -7.208 1.00 51.55 N ATOM 355 CA ASN A 24 -6.642 -7.946 -7.998 1.00 2.11 C ATOM 356 C ASN A 24 -7.448 -6.716 -7.537 1.00 51.53 C ATOM 357 O ASN A 24 -8.029 -6.010 -8.365 1.00 32.30 O ATOM 358 CB ASN A 24 -7.511 -9.235 -7.919 1.00 24.33 C ATOM 359 CG ASN A 24 -8.830 -9.139 -8.697 1.00 13.42 C ATOM 360 OD1 ASN A 24 -8.874 -9.390 -9.900 1.00 44.22 O ATOM 361 ND2 ASN A 24 -9.906 -8.783 -8.017 1.00 20.34 N ATOM 0 H ASN A 24 -5.384 -9.054 -6.750 1.00 51.55 H new ATOM 0 HA ASN A 24 -6.353 -7.755 -9.031 1.00 2.11 H new ATOM 0 HB2 ASN A 24 -6.933 -10.076 -8.303 1.00 24.33 H new ATOM 0 HB3 ASN A 24 -7.731 -9.451 -6.873 1.00 24.33 H new ATOM 0 HD21 ASN A 24 -10.807 -8.710 -8.490 1.00 20.34 H new ATOM 0 HD22 ASN A 24 -9.835 -8.582 -7.020 1.00 20.34 H new ATOM 368 N ILE A 25 -7.451 -6.440 -6.219 1.00 22.24 N ATOM 369 CA ILE A 25 -8.252 -5.330 -5.663 1.00 71.41 C ATOM 370 C ILE A 25 -7.407 -4.067 -5.479 1.00 30.43 C ATOM 371 O ILE A 25 -7.957 -3.027 -5.154 1.00 32.44 O ATOM 372 CB ILE A 25 -8.990 -5.703 -4.318 1.00 12.13 C ATOM 373 CG1 ILE A 25 -7.990 -5.948 -3.141 1.00 23.21 C ATOM 374 CG2 ILE A 25 -9.906 -6.931 -4.535 1.00 3.44 C ATOM 375 CD1 ILE A 25 -8.640 -6.149 -1.776 1.00 4.44 C ATOM 0 H ILE A 25 -6.915 -6.962 -5.526 1.00 22.24 H new ATOM 0 HA ILE A 25 -9.028 -5.129 -6.401 1.00 71.41 H new ATOM 0 HB ILE A 25 -9.605 -4.850 -4.032 1.00 12.13 H new ATOM 0 HG12 ILE A 25 -7.387 -6.826 -3.373 1.00 23.21 H new ATOM 0 HG13 ILE A 25 -7.308 -5.100 -3.081 1.00 23.21 H new ATOM 0 HG21 ILE A 25 -10.410 -7.179 -3.601 1.00 3.44 H new ATOM 0 HG22 ILE A 25 -10.650 -6.700 -5.298 1.00 3.44 H new ATOM 0 HG23 ILE A 25 -9.305 -7.780 -4.860 1.00 3.44 H new ATOM 0 HD11 ILE A 25 -7.867 -6.312 -1.025 1.00 4.44 H new ATOM 0 HD12 ILE A 25 -9.219 -5.263 -1.515 1.00 4.44 H new ATOM 0 HD13 ILE A 25 -9.299 -7.016 -1.811 1.00 4.44 H new ATOM 387 N ILE A 26 -6.083 -4.159 -5.701 1.00 14.41 N ATOM 388 CA ILE A 26 -5.185 -2.988 -5.638 1.00 73.40 C ATOM 389 C ILE A 26 -5.383 -2.128 -6.902 1.00 51.13 C ATOM 390 O ILE A 26 -5.365 -2.656 -8.018 1.00 52.11 O ATOM 391 CB ILE A 26 -3.666 -3.415 -5.523 1.00 51.14 C ATOM 392 CG1 ILE A 26 -3.418 -4.386 -4.316 1.00 21.41 C ATOM 393 CG2 ILE A 26 -2.734 -2.173 -5.439 1.00 51.21 C ATOM 394 CD1 ILE A 26 -3.707 -3.811 -2.940 1.00 50.33 C ATOM 0 H ILE A 26 -5.609 -5.034 -5.926 1.00 14.41 H new ATOM 0 HA ILE A 26 -5.438 -2.417 -4.745 1.00 73.40 H new ATOM 0 HB ILE A 26 -3.420 -3.961 -6.434 1.00 51.14 H new ATOM 0 HG12 ILE A 26 -4.034 -5.274 -4.455 1.00 21.41 H new ATOM 0 HG13 ILE A 26 -2.378 -4.712 -4.343 1.00 21.41 H new ATOM 0 HG21 ILE A 26 -1.697 -2.501 -5.361 1.00 51.21 H new ATOM 0 HG22 ILE A 26 -2.856 -1.565 -6.336 1.00 51.21 H new ATOM 0 HG23 ILE A 26 -2.995 -1.581 -4.562 1.00 51.21 H new ATOM 0 HD11 ILE A 26 -3.502 -4.565 -2.180 1.00 50.33 H new ATOM 0 HD12 ILE A 26 -3.072 -2.941 -2.768 1.00 50.33 H new ATOM 0 HD13 ILE A 26 -4.754 -3.513 -2.883 1.00 50.33 H new ATOM 406 N ASP A 27 -5.580 -0.812 -6.712 1.00 52.14 N ATOM 407 CA ASP A 27 -5.670 0.161 -7.820 1.00 23.34 C ATOM 408 C ASP A 27 -4.370 0.971 -7.899 1.00 55.20 C ATOM 409 O ASP A 27 -3.731 1.044 -8.957 1.00 41.51 O ATOM 410 CB ASP A 27 -6.876 1.114 -7.605 1.00 22.20 C ATOM 411 CG ASP A 27 -7.076 2.110 -8.772 1.00 21.13 C ATOM 412 OD1 ASP A 27 -6.507 3.229 -8.727 1.00 42.43 O ATOM 413 OD2 ASP A 27 -7.822 1.787 -9.725 1.00 25.30 O ATOM 0 H ASP A 27 -5.681 -0.391 -5.788 1.00 52.14 H new ATOM 0 HA ASP A 27 -5.817 -0.379 -8.755 1.00 23.34 H new ATOM 0 HB2 ASP A 27 -7.782 0.521 -7.481 1.00 22.20 H new ATOM 0 HB3 ASP A 27 -6.731 1.672 -6.680 1.00 22.20 H new ATOM 418 N ARG A 28 -3.983 1.583 -6.763 1.00 41.22 N ATOM 419 CA ARG A 28 -2.827 2.489 -6.695 1.00 42.13 C ATOM 420 C ARG A 28 -2.037 2.240 -5.412 1.00 73.41 C ATOM 421 O ARG A 28 -2.621 2.003 -4.357 1.00 53.01 O ATOM 422 CB ARG A 28 -3.301 3.986 -6.762 1.00 41.44 C ATOM 423 CG ARG A 28 -2.402 4.912 -7.614 1.00 35.12 C ATOM 424 CD ARG A 28 -2.320 4.454 -9.083 1.00 44.43 C ATOM 425 NE ARG A 28 -3.650 4.124 -9.647 1.00 22.32 N ATOM 426 CZ ARG A 28 -3.939 3.975 -10.947 1.00 5.33 C ATOM 427 NH1 ARG A 28 -3.019 4.144 -11.885 1.00 61.10 N ATOM 428 NH2 ARG A 28 -5.159 3.615 -11.297 1.00 41.11 N ATOM 0 H ARG A 28 -4.463 1.462 -5.871 1.00 41.22 H new ATOM 0 HA ARG A 28 -2.179 2.292 -7.549 1.00 42.13 H new ATOM 0 HB2 ARG A 28 -4.313 4.014 -7.165 1.00 41.44 H new ATOM 0 HB3 ARG A 28 -3.350 4.383 -5.748 1.00 41.44 H new ATOM 0 HG2 ARG A 28 -2.790 5.930 -7.574 1.00 35.12 H new ATOM 0 HG3 ARG A 28 -1.400 4.936 -7.186 1.00 35.12 H new ATOM 0 HD2 ARG A 28 -1.860 5.241 -9.681 1.00 44.43 H new ATOM 0 HD3 ARG A 28 -1.672 3.580 -9.153 1.00 44.43 H new ATOM 0 HE ARG A 28 -4.416 3.999 -8.985 1.00 22.32 H new ATOM 0 HH11 ARG A 28 -2.065 4.393 -11.624 1.00 61.10 H new ATOM 0 HH12 ARG A 28 -3.265 4.025 -12.868 1.00 61.10 H new ATOM 0 HH21 ARG A 28 -5.868 3.454 -10.582 1.00 41.11 H new ATOM 0 HH22 ARG A 28 -5.393 3.498 -12.283 1.00 41.11 H new ATOM 442 N ILE A 29 -0.707 2.304 -5.524 1.00 11.31 N ATOM 443 CA ILE A 29 0.222 2.243 -4.392 1.00 71.25 C ATOM 444 C ILE A 29 1.011 3.555 -4.377 1.00 33.44 C ATOM 445 O ILE A 29 1.841 3.781 -5.254 1.00 71.12 O ATOM 446 CB ILE A 29 1.202 1.010 -4.534 1.00 73.41 C ATOM 447 CG1 ILE A 29 0.396 -0.328 -4.479 1.00 23.43 C ATOM 448 CG2 ILE A 29 2.320 1.035 -3.461 1.00 62.14 C ATOM 449 CD1 ILE A 29 1.207 -1.588 -4.738 1.00 73.52 C ATOM 0 H ILE A 29 -0.236 2.402 -6.424 1.00 11.31 H new ATOM 0 HA ILE A 29 -0.327 2.113 -3.459 1.00 71.25 H new ATOM 0 HB ILE A 29 1.693 1.082 -5.504 1.00 73.41 H new ATOM 0 HG12 ILE A 29 -0.070 -0.412 -3.497 1.00 23.43 H new ATOM 0 HG13 ILE A 29 -0.410 -0.278 -5.211 1.00 23.43 H new ATOM 0 HG21 ILE A 29 2.971 0.171 -3.594 1.00 62.14 H new ATOM 0 HG22 ILE A 29 2.904 1.949 -3.566 1.00 62.14 H new ATOM 0 HG23 ILE A 29 1.872 1.002 -2.468 1.00 62.14 H new ATOM 0 HD11 ILE A 29 0.555 -2.459 -4.677 1.00 73.52 H new ATOM 0 HD12 ILE A 29 1.652 -1.537 -5.732 1.00 73.52 H new ATOM 0 HD13 ILE A 29 1.996 -1.673 -3.991 1.00 73.52 H new ATOM 461 N GLN A 30 0.717 4.419 -3.404 1.00 1.34 N ATOM 462 CA GLN A 30 1.409 5.701 -3.207 1.00 54.24 C ATOM 463 C GLN A 30 2.339 5.560 -1.999 1.00 53.01 C ATOM 464 O GLN A 30 1.972 4.936 -1.010 1.00 61.10 O ATOM 465 CB GLN A 30 0.364 6.839 -2.996 1.00 3.34 C ATOM 466 CG GLN A 30 0.949 8.244 -2.710 1.00 42.14 C ATOM 467 CD GLN A 30 1.822 8.811 -3.841 1.00 22.13 C ATOM 468 OE1 GLN A 30 3.033 8.585 -3.880 1.00 43.11 O ATOM 469 NE2 GLN A 30 1.225 9.565 -4.754 1.00 53.11 N ATOM 0 H GLN A 30 -0.019 4.248 -2.719 1.00 1.34 H new ATOM 0 HA GLN A 30 2.001 5.961 -4.084 1.00 54.24 H new ATOM 0 HB2 GLN A 30 -0.263 6.901 -3.886 1.00 3.34 H new ATOM 0 HB3 GLN A 30 -0.286 6.561 -2.167 1.00 3.34 H new ATOM 0 HG2 GLN A 30 0.127 8.935 -2.521 1.00 42.14 H new ATOM 0 HG3 GLN A 30 1.543 8.198 -1.797 1.00 42.14 H new ATOM 0 HE21 GLN A 30 0.221 9.736 -4.697 1.00 53.11 H new ATOM 0 HE22 GLN A 30 1.770 9.974 -5.513 1.00 53.11 H new ATOM 478 N VAL A 31 3.544 6.114 -2.095 1.00 40.31 N ATOM 479 CA VAL A 31 4.561 6.029 -1.034 1.00 44.05 C ATOM 480 C VAL A 31 4.841 7.449 -0.514 1.00 12.11 C ATOM 481 O VAL A 31 5.365 8.287 -1.258 1.00 44.35 O ATOM 482 CB VAL A 31 5.879 5.347 -1.583 1.00 3.23 C ATOM 483 CG1 VAL A 31 6.976 5.270 -0.502 1.00 11.15 C ATOM 484 CG2 VAL A 31 5.574 3.939 -2.161 1.00 3.24 C ATOM 0 H VAL A 31 3.851 6.639 -2.914 1.00 40.31 H new ATOM 0 HA VAL A 31 4.196 5.411 -0.214 1.00 44.05 H new ATOM 0 HB VAL A 31 6.259 5.975 -2.389 1.00 3.23 H new ATOM 0 HG11 VAL A 31 7.865 4.795 -0.918 1.00 11.15 H new ATOM 0 HG12 VAL A 31 7.226 6.276 -0.165 1.00 11.15 H new ATOM 0 HG13 VAL A 31 6.614 4.684 0.343 1.00 11.15 H new ATOM 0 HG21 VAL A 31 6.496 3.491 -2.532 1.00 3.24 H new ATOM 0 HG22 VAL A 31 5.153 3.308 -1.378 1.00 3.24 H new ATOM 0 HG23 VAL A 31 4.859 4.029 -2.979 1.00 3.24 H new ATOM 494 N THR A 32 4.428 7.727 0.735 1.00 51.02 N ATOM 495 CA THR A 32 4.634 9.035 1.372 1.00 65.52 C ATOM 496 C THR A 32 5.997 9.042 2.111 1.00 0.20 C ATOM 497 O THR A 32 6.206 8.194 2.995 1.00 14.00 O ATOM 498 CB THR A 32 3.481 9.366 2.382 1.00 33.22 C ATOM 499 OG1 THR A 32 2.210 9.087 1.772 1.00 2.45 O ATOM 500 CG2 THR A 32 3.513 10.840 2.831 1.00 32.25 C ATOM 0 H THR A 32 3.944 7.052 1.328 1.00 51.02 H new ATOM 0 HA THR A 32 4.630 9.799 0.594 1.00 65.52 H new ATOM 0 HB THR A 32 3.627 8.741 3.263 1.00 33.22 H new ATOM 0 HG1 THR A 32 1.491 9.293 2.405 1.00 2.45 H new ATOM 0 HG21 THR A 32 2.697 11.025 3.530 1.00 32.25 H new ATOM 0 HG22 THR A 32 4.464 11.051 3.320 1.00 32.25 H new ATOM 0 HG23 THR A 32 3.400 11.488 1.962 1.00 32.25 H new ATOM 508 N PRO A 33 6.942 9.983 1.746 1.00 53.32 N ATOM 509 CA PRO A 33 8.303 10.057 2.354 1.00 11.40 C ATOM 510 C PRO A 33 8.287 10.276 3.898 1.00 23.21 C ATOM 511 O PRO A 33 7.368 10.933 4.423 1.00 50.05 O ATOM 512 CB PRO A 33 8.965 11.258 1.616 1.00 53.34 C ATOM 513 CG PRO A 33 8.181 11.406 0.343 1.00 34.44 C ATOM 514 CD PRO A 33 6.763 11.043 0.708 1.00 2.13 C ATOM 0 HA PRO A 33 8.844 9.118 2.236 1.00 11.40 H new ATOM 0 HB2 PRO A 33 8.918 12.166 2.217 1.00 53.34 H new ATOM 0 HB3 PRO A 33 10.018 11.065 1.412 1.00 53.34 H new ATOM 0 HG2 PRO A 33 8.241 12.425 -0.040 1.00 34.44 H new ATOM 0 HG3 PRO A 33 8.568 10.749 -0.436 1.00 34.44 H new ATOM 0 HD2 PRO A 33 6.215 11.901 1.098 1.00 2.13 H new ATOM 0 HD3 PRO A 33 6.207 10.674 -0.154 1.00 2.13 H new ATOM 522 N PRO A 34 9.316 9.738 4.645 1.00 61.01 N ATOM 523 CA PRO A 34 9.379 9.844 6.119 1.00 10.11 C ATOM 524 C PRO A 34 9.737 11.275 6.586 1.00 53.32 C ATOM 525 O PRO A 34 10.904 11.696 6.535 1.00 72.22 O ATOM 526 CB PRO A 34 10.462 8.800 6.510 1.00 50.34 C ATOM 527 CG PRO A 34 11.363 8.697 5.317 1.00 70.34 C ATOM 528 CD PRO A 34 10.494 8.987 4.101 1.00 13.34 C ATOM 0 HA PRO A 34 8.420 9.648 6.599 1.00 10.11 H new ATOM 0 HB2 PRO A 34 11.015 9.119 7.394 1.00 50.34 H new ATOM 0 HB3 PRO A 34 10.011 7.836 6.747 1.00 50.34 H new ATOM 0 HG2 PRO A 34 12.184 9.410 5.387 1.00 70.34 H new ATOM 0 HG3 PRO A 34 11.808 7.704 5.250 1.00 70.34 H new ATOM 0 HD2 PRO A 34 11.033 9.578 3.361 1.00 13.34 H new ATOM 0 HD3 PRO A 34 10.183 8.066 3.608 1.00 13.34 H new ATOM 536 N GLY A 35 8.706 12.020 7.000 1.00 42.24 N ATOM 537 CA GLY A 35 8.849 13.408 7.457 1.00 71.13 C ATOM 538 C GLY A 35 7.798 14.327 6.851 1.00 3.03 C ATOM 539 O GLY A 35 7.709 15.500 7.231 1.00 54.44 O ATOM 0 H GLY A 35 7.746 11.677 7.028 1.00 42.24 H new ATOM 0 HA2 GLY A 35 8.773 13.440 8.544 1.00 71.13 H new ATOM 0 HA3 GLY A 35 9.842 13.774 7.196 1.00 71.13 H new ATOM 543 N ASN A 36 6.976 13.795 5.917 1.00 55.54 N ATOM 544 CA ASN A 36 5.940 14.573 5.193 1.00 62.54 C ATOM 545 C ASN A 36 4.595 14.549 5.954 1.00 41.24 C ATOM 546 O ASN A 36 3.517 14.472 5.354 1.00 20.02 O ATOM 547 CB ASN A 36 5.797 14.034 3.739 1.00 70.51 C ATOM 548 CG ASN A 36 7.052 14.252 2.878 1.00 42.55 C ATOM 549 OD1 ASN A 36 8.182 14.249 3.369 1.00 64.22 O ATOM 550 ND2 ASN A 36 6.866 14.439 1.588 1.00 45.11 N ATOM 0 H ASN A 36 7.011 12.813 5.643 1.00 55.54 H new ATOM 0 HA ASN A 36 6.251 15.616 5.138 1.00 62.54 H new ATOM 0 HB2 ASN A 36 5.572 12.968 3.776 1.00 70.51 H new ATOM 0 HB3 ASN A 36 4.948 14.523 3.261 1.00 70.51 H new ATOM 0 HD21 ASN A 36 7.667 14.585 0.973 1.00 45.11 H new ATOM 0 HD22 ASN A 36 5.921 14.437 1.203 1.00 45.11 H new ATOM 557 N GLY A 37 4.683 14.677 7.287 1.00 3.02 N ATOM 558 CA GLY A 37 3.522 14.639 8.178 1.00 51.24 C ATOM 559 C GLY A 37 3.369 13.302 8.890 1.00 63.10 C ATOM 560 O GLY A 37 2.670 13.208 9.898 1.00 61.12 O ATOM 0 H GLY A 37 5.568 14.810 7.776 1.00 3.02 H new ATOM 0 HA2 GLY A 37 3.613 15.432 8.920 1.00 51.24 H new ATOM 0 HA3 GLY A 37 2.620 14.844 7.601 1.00 51.24 H new ATOM 564 N CYS A 38 4.004 12.268 8.335 1.00 20.01 N ATOM 565 CA CYS A 38 4.157 10.960 8.965 1.00 31.42 C ATOM 566 C CYS A 38 5.667 10.738 9.190 1.00 41.41 C ATOM 567 O CYS A 38 6.420 10.709 8.211 1.00 31.41 O ATOM 568 CB CYS A 38 3.542 9.870 8.055 1.00 74.14 C ATOM 569 SG CYS A 38 3.851 10.129 6.277 1.00 43.23 S ATOM 0 H CYS A 38 4.436 12.321 7.412 1.00 20.01 H new ATOM 0 HA CYS A 38 3.636 10.908 9.921 1.00 31.42 H new ATOM 0 HB2 CYS A 38 3.944 8.899 8.346 1.00 74.14 H new ATOM 0 HB3 CYS A 38 2.466 9.834 8.225 1.00 74.14 H new ATOM 574 N PRO A 39 6.142 10.629 10.483 1.00 12.54 N ATOM 575 CA PRO A 39 7.587 10.451 10.830 1.00 22.32 C ATOM 576 C PRO A 39 8.281 9.328 10.023 1.00 72.11 C ATOM 577 O PRO A 39 9.435 9.471 9.615 1.00 2.15 O ATOM 578 CB PRO A 39 7.572 10.122 12.358 1.00 52.35 C ATOM 579 CG PRO A 39 6.123 9.919 12.723 1.00 3.22 C ATOM 580 CD PRO A 39 5.314 10.706 11.718 1.00 75.32 C ATOM 0 HA PRO A 39 8.162 11.344 10.585 1.00 22.32 H new ATOM 0 HB2 PRO A 39 8.157 9.227 12.571 1.00 52.35 H new ATOM 0 HB3 PRO A 39 8.010 10.935 12.937 1.00 52.35 H new ATOM 0 HG2 PRO A 39 5.859 8.862 12.691 1.00 3.22 H new ATOM 0 HG3 PRO A 39 5.926 10.266 13.737 1.00 3.22 H new ATOM 0 HD2 PRO A 39 4.325 10.272 11.568 1.00 75.32 H new ATOM 0 HD3 PRO A 39 5.164 11.737 12.039 1.00 75.32 H new ATOM 588 N LYS A 40 7.554 8.225 9.802 1.00 64.21 N ATOM 589 CA LYS A 40 8.047 7.058 9.043 1.00 70.32 C ATOM 590 C LYS A 40 7.366 7.023 7.667 1.00 62.21 C ATOM 591 O LYS A 40 6.291 7.615 7.493 1.00 60.24 O ATOM 592 CB LYS A 40 7.767 5.755 9.834 1.00 0.12 C ATOM 593 CG LYS A 40 8.326 5.769 11.279 1.00 5.45 C ATOM 594 CD LYS A 40 8.058 4.451 12.043 1.00 63.33 C ATOM 595 CE LYS A 40 6.561 4.118 12.190 1.00 24.23 C ATOM 596 NZ LYS A 40 5.826 5.142 12.970 1.00 53.21 N ATOM 0 H LYS A 40 6.600 8.112 10.145 1.00 64.21 H new ATOM 0 HA LYS A 40 9.124 7.140 8.899 1.00 70.32 H new ATOM 0 HB2 LYS A 40 6.690 5.588 9.872 1.00 0.12 H new ATOM 0 HB3 LYS A 40 8.201 4.913 9.295 1.00 0.12 H new ATOM 0 HG2 LYS A 40 9.400 5.951 11.245 1.00 5.45 H new ATOM 0 HG3 LYS A 40 7.879 6.598 11.828 1.00 5.45 H new ATOM 0 HD2 LYS A 40 8.555 3.632 11.523 1.00 63.33 H new ATOM 0 HD3 LYS A 40 8.506 4.518 13.034 1.00 63.33 H new ATOM 0 HE2 LYS A 40 6.113 4.029 11.200 1.00 24.23 H new ATOM 0 HE3 LYS A 40 6.454 3.149 12.677 1.00 24.23 H new ATOM 0 HZ1 LYS A 40 4.831 4.855 13.069 1.00 53.21 H new ATOM 0 HZ2 LYS A 40 6.255 5.235 13.913 1.00 53.21 H new ATOM 0 HZ3 LYS A 40 5.875 6.056 12.476 1.00 53.21 H new ATOM 610 N THR A 41 8.012 6.334 6.702 1.00 43.13 N ATOM 611 CA THR A 41 7.499 6.181 5.333 1.00 52.22 C ATOM 612 C THR A 41 6.145 5.451 5.365 1.00 24.25 C ATOM 613 O THR A 41 6.078 4.287 5.777 1.00 34.55 O ATOM 614 CB THR A 41 8.498 5.367 4.443 1.00 3.53 C ATOM 615 OG1 THR A 41 9.823 5.906 4.558 1.00 75.31 O ATOM 616 CG2 THR A 41 8.080 5.357 2.960 1.00 22.33 C ATOM 0 H THR A 41 8.906 5.869 6.856 1.00 43.13 H new ATOM 0 HA THR A 41 7.380 7.176 4.904 1.00 52.22 H new ATOM 0 HB THR A 41 8.482 4.339 4.806 1.00 3.53 H new ATOM 0 HG1 THR A 41 10.437 5.387 3.998 1.00 75.31 H new ATOM 0 HG21 THR A 41 8.803 4.781 2.382 1.00 22.33 H new ATOM 0 HG22 THR A 41 7.094 4.904 2.863 1.00 22.33 H new ATOM 0 HG23 THR A 41 8.048 6.380 2.584 1.00 22.33 H new ATOM 624 N GLU A 42 5.080 6.136 4.948 1.00 35.14 N ATOM 625 CA GLU A 42 3.710 5.602 5.045 1.00 1.33 C ATOM 626 C GLU A 42 3.197 5.306 3.633 1.00 74.41 C ATOM 627 O GLU A 42 2.966 6.223 2.844 1.00 62.24 O ATOM 628 CB GLU A 42 2.814 6.625 5.795 1.00 40.00 C ATOM 629 CG GLU A 42 1.463 6.057 6.288 1.00 64.24 C ATOM 630 CD GLU A 42 0.830 6.925 7.390 1.00 55.44 C ATOM 631 OE1 GLU A 42 1.218 6.775 8.574 1.00 72.50 O ATOM 632 OE2 GLU A 42 -0.042 7.763 7.090 1.00 73.21 O ATOM 0 H GLU A 42 5.135 7.068 4.537 1.00 35.14 H new ATOM 0 HA GLU A 42 3.690 4.672 5.613 1.00 1.33 H new ATOM 0 HB2 GLU A 42 3.365 7.011 6.652 1.00 40.00 H new ATOM 0 HB3 GLU A 42 2.619 7.470 5.135 1.00 40.00 H new ATOM 0 HG2 GLU A 42 0.774 5.983 5.447 1.00 64.24 H new ATOM 0 HG3 GLU A 42 1.613 5.046 6.667 1.00 64.24 H new ATOM 639 N VAL A 43 3.037 4.013 3.311 1.00 53.23 N ATOM 640 CA VAL A 43 2.622 3.575 1.976 1.00 14.13 C ATOM 641 C VAL A 43 1.090 3.538 1.924 1.00 43.23 C ATOM 642 O VAL A 43 0.470 2.619 2.462 1.00 63.11 O ATOM 643 CB VAL A 43 3.233 2.167 1.615 1.00 64.52 C ATOM 644 CG1 VAL A 43 2.834 1.732 0.187 1.00 54.23 C ATOM 645 CG2 VAL A 43 4.774 2.177 1.788 1.00 73.53 C ATOM 0 H VAL A 43 3.192 3.248 3.967 1.00 53.23 H new ATOM 0 HA VAL A 43 2.997 4.281 1.235 1.00 14.13 H new ATOM 0 HB VAL A 43 2.820 1.434 2.308 1.00 64.52 H new ATOM 0 HG11 VAL A 43 3.271 0.758 -0.032 1.00 54.23 H new ATOM 0 HG12 VAL A 43 1.748 1.667 0.116 1.00 54.23 H new ATOM 0 HG13 VAL A 43 3.201 2.464 -0.532 1.00 54.23 H new ATOM 0 HG21 VAL A 43 5.175 1.196 1.534 1.00 73.53 H new ATOM 0 HG22 VAL A 43 5.209 2.929 1.129 1.00 73.53 H new ATOM 0 HG23 VAL A 43 5.022 2.413 2.823 1.00 73.53 H new ATOM 655 N VAL A 44 0.503 4.562 1.281 1.00 54.34 N ATOM 656 CA VAL A 44 -0.950 4.735 1.177 1.00 43.33 C ATOM 657 C VAL A 44 -1.442 4.022 -0.095 1.00 43.35 C ATOM 658 O VAL A 44 -1.201 4.488 -1.212 1.00 24.23 O ATOM 659 CB VAL A 44 -1.327 6.272 1.117 1.00 53.34 C ATOM 660 CG1 VAL A 44 -2.862 6.488 1.103 1.00 32.33 C ATOM 661 CG2 VAL A 44 -0.662 7.057 2.279 1.00 71.35 C ATOM 0 H VAL A 44 1.033 5.299 0.815 1.00 54.34 H new ATOM 0 HA VAL A 44 -1.429 4.304 2.056 1.00 43.33 H new ATOM 0 HB VAL A 44 -0.936 6.665 0.178 1.00 53.34 H new ATOM 0 HG11 VAL A 44 -3.079 7.555 1.062 1.00 32.33 H new ATOM 0 HG12 VAL A 44 -3.291 5.996 0.230 1.00 32.33 H new ATOM 0 HG13 VAL A 44 -3.297 6.064 2.008 1.00 32.33 H new ATOM 0 HG21 VAL A 44 -0.938 8.109 2.212 1.00 71.35 H new ATOM 0 HG22 VAL A 44 -1.001 6.652 3.233 1.00 71.35 H new ATOM 0 HG23 VAL A 44 0.422 6.961 2.209 1.00 71.35 H new ATOM 671 N ILE A 45 -2.135 2.899 0.091 1.00 11.02 N ATOM 672 CA ILE A 45 -2.626 2.057 -1.007 1.00 43.45 C ATOM 673 C ILE A 45 -4.148 2.241 -1.142 1.00 23.12 C ATOM 674 O ILE A 45 -4.897 1.991 -0.191 1.00 31.24 O ATOM 675 CB ILE A 45 -2.279 0.535 -0.761 1.00 72.24 C ATOM 676 CG1 ILE A 45 -0.743 0.353 -0.557 1.00 73.14 C ATOM 677 CG2 ILE A 45 -2.806 -0.358 -1.916 1.00 50.24 C ATOM 678 CD1 ILE A 45 -0.295 -1.065 -0.250 1.00 51.53 C ATOM 0 H ILE A 45 -2.375 2.542 1.016 1.00 11.02 H new ATOM 0 HA ILE A 45 -2.134 2.363 -1.930 1.00 43.45 H new ATOM 0 HB ILE A 45 -2.783 0.214 0.150 1.00 72.24 H new ATOM 0 HG12 ILE A 45 -0.230 0.692 -1.457 1.00 73.14 H new ATOM 0 HG13 ILE A 45 -0.421 1.003 0.257 1.00 73.14 H new ATOM 0 HG21 ILE A 45 -2.551 -1.399 -1.717 1.00 50.24 H new ATOM 0 HG22 ILE A 45 -3.889 -0.257 -1.989 1.00 50.24 H new ATOM 0 HG23 ILE A 45 -2.349 -0.046 -2.855 1.00 50.24 H new ATOM 0 HD11 ILE A 45 0.788 -1.086 -0.126 1.00 51.53 H new ATOM 0 HD12 ILE A 45 -0.772 -1.407 0.669 1.00 51.53 H new ATOM 0 HD13 ILE A 45 -0.578 -1.722 -1.072 1.00 51.53 H new ATOM 690 N TRP A 46 -4.591 2.703 -2.313 1.00 60.05 N ATOM 691 CA TRP A 46 -6.011 2.824 -2.655 1.00 30.21 C ATOM 692 C TRP A 46 -6.428 1.560 -3.410 1.00 3.11 C ATOM 693 O TRP A 46 -5.778 1.188 -4.398 1.00 31.42 O ATOM 694 CB TRP A 46 -6.247 4.079 -3.534 1.00 62.44 C ATOM 695 CG TRP A 46 -5.905 5.385 -2.843 1.00 2.31 C ATOM 696 CD1 TRP A 46 -4.656 5.926 -2.644 1.00 12.55 C ATOM 697 CD2 TRP A 46 -6.836 6.321 -2.278 1.00 32.54 C ATOM 698 NE1 TRP A 46 -4.763 7.118 -1.971 1.00 33.51 N ATOM 699 CE2 TRP A 46 -6.088 7.388 -1.746 1.00 3.41 C ATOM 700 CE3 TRP A 46 -8.233 6.352 -2.170 1.00 15.13 C ATOM 701 CZ2 TRP A 46 -6.691 8.477 -1.117 1.00 75.25 C ATOM 702 CZ3 TRP A 46 -8.830 7.434 -1.547 1.00 61.34 C ATOM 703 CH2 TRP A 46 -8.060 8.484 -1.028 1.00 11.31 C ATOM 0 H TRP A 46 -3.967 3.007 -3.060 1.00 60.05 H new ATOM 0 HA TRP A 46 -6.607 2.933 -1.749 1.00 30.21 H new ATOM 0 HB2 TRP A 46 -5.650 3.992 -4.442 1.00 62.44 H new ATOM 0 HB3 TRP A 46 -7.293 4.104 -3.841 1.00 62.44 H new ATOM 0 HD1 TRP A 46 -3.728 5.479 -2.969 1.00 12.55 H new ATOM 0 HE1 TRP A 46 -3.982 7.708 -1.684 1.00 33.51 H new ATOM 0 HE3 TRP A 46 -8.833 5.546 -2.566 1.00 15.13 H new ATOM 0 HZ2 TRP A 46 -6.101 9.287 -0.714 1.00 75.25 H new ATOM 0 HZ3 TRP A 46 -9.906 7.470 -1.459 1.00 61.34 H new ATOM 0 HH2 TRP A 46 -8.555 9.316 -0.548 1.00 11.31 H new ATOM 714 N THR A 47 -7.465 0.875 -2.923 1.00 44.42 N ATOM 715 CA THR A 47 -8.070 -0.254 -3.642 1.00 24.15 C ATOM 716 C THR A 47 -9.110 0.266 -4.657 1.00 45.10 C ATOM 717 O THR A 47 -9.558 1.420 -4.569 1.00 52.31 O ATOM 718 CB THR A 47 -8.737 -1.254 -2.647 1.00 45.41 C ATOM 719 OG1 THR A 47 -9.641 -0.541 -1.806 1.00 32.34 O ATOM 720 CG2 THR A 47 -7.696 -1.993 -1.783 1.00 32.35 C ATOM 0 H THR A 47 -7.907 1.083 -2.028 1.00 44.42 H new ATOM 0 HA THR A 47 -7.283 -0.784 -4.178 1.00 24.15 H new ATOM 0 HB THR A 47 -9.270 -2.006 -3.230 1.00 45.41 H new ATOM 0 HG1 THR A 47 -9.134 0.016 -1.179 1.00 32.34 H new ATOM 0 HG21 THR A 47 -8.206 -2.678 -1.106 1.00 32.35 H new ATOM 0 HG22 THR A 47 -7.021 -2.556 -2.428 1.00 32.35 H new ATOM 0 HG23 THR A 47 -7.124 -1.268 -1.203 1.00 32.35 H new ATOM 728 N LYS A 48 -9.492 -0.604 -5.612 1.00 31.43 N ATOM 729 CA LYS A 48 -10.518 -0.290 -6.632 1.00 54.31 C ATOM 730 C LYS A 48 -11.940 -0.239 -6.012 1.00 44.33 C ATOM 731 O LYS A 48 -12.884 0.218 -6.657 1.00 34.13 O ATOM 732 CB LYS A 48 -10.433 -1.299 -7.825 1.00 51.31 C ATOM 733 CG LYS A 48 -10.790 -2.764 -7.504 1.00 71.50 C ATOM 734 CD LYS A 48 -10.659 -3.689 -8.739 1.00 34.41 C ATOM 735 CE LYS A 48 -11.110 -5.130 -8.453 1.00 53.14 C ATOM 736 NZ LYS A 48 -12.565 -5.220 -8.155 1.00 24.20 N ATOM 0 H LYS A 48 -9.101 -1.542 -5.700 1.00 31.43 H new ATOM 0 HA LYS A 48 -10.314 0.706 -7.026 1.00 54.31 H new ATOM 0 HB2 LYS A 48 -11.096 -0.950 -8.617 1.00 51.31 H new ATOM 0 HB3 LYS A 48 -9.419 -1.273 -8.224 1.00 51.31 H new ATOM 0 HG2 LYS A 48 -10.138 -3.128 -6.710 1.00 71.50 H new ATOM 0 HG3 LYS A 48 -11.811 -2.811 -7.125 1.00 71.50 H new ATOM 0 HD2 LYS A 48 -11.254 -3.282 -9.557 1.00 34.41 H new ATOM 0 HD3 LYS A 48 -9.621 -3.697 -9.073 1.00 34.41 H new ATOM 0 HE2 LYS A 48 -10.879 -5.758 -9.313 1.00 53.14 H new ATOM 0 HE3 LYS A 48 -10.544 -5.524 -7.609 1.00 53.14 H new ATOM 0 HZ1 LYS A 48 -12.848 -6.220 -8.103 1.00 24.20 H new ATOM 0 HZ2 LYS A 48 -12.762 -4.757 -7.245 1.00 24.20 H new ATOM 0 HZ3 LYS A 48 -13.104 -4.747 -8.908 1.00 24.20 H new ATOM 750 N MET A 49 -12.069 -0.698 -4.748 1.00 60.10 N ATOM 751 CA MET A 49 -13.312 -0.555 -3.945 1.00 30.11 C ATOM 752 C MET A 49 -13.287 0.761 -3.121 1.00 13.01 C ATOM 753 O MET A 49 -14.192 1.006 -2.313 1.00 14.45 O ATOM 754 CB MET A 49 -13.507 -1.790 -3.007 1.00 61.10 C ATOM 755 CG MET A 49 -12.514 -1.892 -1.841 1.00 43.12 C ATOM 756 SD MET A 49 -12.754 -3.352 -0.808 1.00 50.10 S ATOM 757 CE MET A 49 -12.363 -4.692 -1.933 1.00 52.12 C ATOM 0 H MET A 49 -11.318 -1.178 -4.253 1.00 60.10 H new ATOM 0 HA MET A 49 -14.157 -0.510 -4.631 1.00 30.11 H new ATOM 0 HB2 MET A 49 -14.518 -1.760 -2.600 1.00 61.10 H new ATOM 0 HB3 MET A 49 -13.431 -2.697 -3.607 1.00 61.10 H new ATOM 0 HG2 MET A 49 -11.500 -1.903 -2.239 1.00 43.12 H new ATOM 0 HG3 MET A 49 -12.603 -1.000 -1.220 1.00 43.12 H new ATOM 0 HE1 MET A 49 -12.229 -5.614 -1.368 1.00 52.12 H new ATOM 0 HE2 MET A 49 -13.178 -4.818 -2.646 1.00 52.12 H new ATOM 0 HE3 MET A 49 -11.444 -4.459 -2.470 1.00 52.12 H new ATOM 767 N LYS A 50 -12.227 1.584 -3.338 1.00 10.13 N ATOM 768 CA LYS A 50 -12.030 2.916 -2.707 1.00 22.44 C ATOM 769 C LYS A 50 -11.757 2.821 -1.193 1.00 2.14 C ATOM 770 O LYS A 50 -11.928 3.804 -0.465 1.00 45.53 O ATOM 771 CB LYS A 50 -13.212 3.887 -3.046 1.00 73.41 C ATOM 772 CG LYS A 50 -13.328 4.226 -4.550 1.00 74.41 C ATOM 773 CD LYS A 50 -12.075 4.966 -5.078 1.00 1.31 C ATOM 774 CE LYS A 50 -12.119 5.204 -6.592 1.00 4.44 C ATOM 775 NZ LYS A 50 -13.266 6.047 -7.017 1.00 34.22 N ATOM 0 H LYS A 50 -11.468 1.333 -3.972 1.00 10.13 H new ATOM 0 HA LYS A 50 -11.127 3.345 -3.141 1.00 22.44 H new ATOM 0 HB2 LYS A 50 -14.147 3.438 -2.711 1.00 73.41 H new ATOM 0 HB3 LYS A 50 -13.083 4.812 -2.483 1.00 73.41 H new ATOM 0 HG2 LYS A 50 -13.472 3.307 -5.118 1.00 74.41 H new ATOM 0 HG3 LYS A 50 -14.210 4.845 -4.715 1.00 74.41 H new ATOM 0 HD2 LYS A 50 -11.982 5.924 -4.567 1.00 1.31 H new ATOM 0 HD3 LYS A 50 -11.186 4.386 -4.832 1.00 1.31 H new ATOM 0 HE2 LYS A 50 -11.190 5.680 -6.906 1.00 4.44 H new ATOM 0 HE3 LYS A 50 -12.173 4.243 -7.103 1.00 4.44 H new ATOM 0 HZ1 LYS A 50 -13.241 6.172 -8.049 1.00 34.22 H new ATOM 0 HZ2 LYS A 50 -14.157 5.584 -6.745 1.00 34.22 H new ATOM 0 HZ3 LYS A 50 -13.204 6.976 -6.554 1.00 34.22 H new ATOM 789 N LYS A 51 -11.281 1.647 -0.739 1.00 13.52 N ATOM 790 CA LYS A 51 -10.843 1.439 0.651 1.00 53.44 C ATOM 791 C LYS A 51 -9.379 1.903 0.778 1.00 60.31 C ATOM 792 O LYS A 51 -8.523 1.511 -0.035 1.00 75.12 O ATOM 793 CB LYS A 51 -10.978 -0.064 1.037 1.00 42.23 C ATOM 794 CG LYS A 51 -10.685 -0.398 2.518 1.00 33.41 C ATOM 795 CD LYS A 51 -10.583 -1.923 2.766 1.00 53.00 C ATOM 796 CE LYS A 51 -10.536 -2.285 4.260 1.00 43.33 C ATOM 797 NZ LYS A 51 -11.741 -1.806 4.989 1.00 32.14 N ATOM 0 H LYS A 51 -11.190 0.818 -1.326 1.00 13.52 H new ATOM 0 HA LYS A 51 -11.469 2.017 1.330 1.00 53.44 H new ATOM 0 HB2 LYS A 51 -11.990 -0.392 0.802 1.00 42.23 H new ATOM 0 HB3 LYS A 51 -10.301 -0.645 0.411 1.00 42.23 H new ATOM 0 HG2 LYS A 51 -9.753 0.080 2.819 1.00 33.41 H new ATOM 0 HG3 LYS A 51 -11.473 0.018 3.145 1.00 33.41 H new ATOM 0 HD2 LYS A 51 -11.437 -2.419 2.304 1.00 53.00 H new ATOM 0 HD3 LYS A 51 -9.688 -2.307 2.276 1.00 53.00 H new ATOM 0 HE2 LYS A 51 -10.453 -3.366 4.368 1.00 43.33 H new ATOM 0 HE3 LYS A 51 -9.644 -1.850 4.710 1.00 43.33 H new ATOM 0 HZ1 LYS A 51 -11.797 -2.278 5.914 1.00 32.14 H new ATOM 0 HZ2 LYS A 51 -11.676 -0.777 5.128 1.00 32.14 H new ATOM 0 HZ3 LYS A 51 -12.593 -2.028 4.435 1.00 32.14 H new ATOM 811 N VAL A 52 -9.112 2.751 1.777 1.00 23.34 N ATOM 812 CA VAL A 52 -7.766 3.270 2.065 1.00 13.32 C ATOM 813 C VAL A 52 -7.079 2.326 3.058 1.00 20.13 C ATOM 814 O VAL A 52 -7.533 2.180 4.195 1.00 71.15 O ATOM 815 CB VAL A 52 -7.822 4.734 2.650 1.00 73.44 C ATOM 816 CG1 VAL A 52 -6.406 5.276 2.971 1.00 72.11 C ATOM 817 CG2 VAL A 52 -8.567 5.676 1.679 1.00 10.04 C ATOM 0 H VAL A 52 -9.828 3.100 2.414 1.00 23.34 H new ATOM 0 HA VAL A 52 -7.199 3.316 1.135 1.00 13.32 H new ATOM 0 HB VAL A 52 -8.375 4.697 3.589 1.00 73.44 H new ATOM 0 HG11 VAL A 52 -6.485 6.287 3.372 1.00 72.11 H new ATOM 0 HG12 VAL A 52 -5.927 4.630 3.707 1.00 72.11 H new ATOM 0 HG13 VAL A 52 -5.808 5.293 2.060 1.00 72.11 H new ATOM 0 HG21 VAL A 52 -8.596 6.682 2.098 1.00 10.04 H new ATOM 0 HG22 VAL A 52 -8.047 5.697 0.721 1.00 10.04 H new ATOM 0 HG23 VAL A 52 -9.585 5.315 1.531 1.00 10.04 H new ATOM 827 N ILE A 53 -6.013 1.659 2.607 1.00 14.43 N ATOM 828 CA ILE A 53 -5.211 0.748 3.444 1.00 20.01 C ATOM 829 C ILE A 53 -3.746 1.200 3.379 1.00 3.13 C ATOM 830 O ILE A 53 -3.215 1.417 2.296 1.00 70.14 O ATOM 831 CB ILE A 53 -5.353 -0.764 3.000 1.00 1.14 C ATOM 832 CG1 ILE A 53 -4.980 -0.978 1.493 1.00 31.11 C ATOM 833 CG2 ILE A 53 -6.784 -1.276 3.289 1.00 71.24 C ATOM 834 CD1 ILE A 53 -4.965 -2.422 1.026 1.00 72.05 C ATOM 0 H ILE A 53 -5.676 1.733 1.647 1.00 14.43 H new ATOM 0 HA ILE A 53 -5.580 0.798 4.468 1.00 20.01 H new ATOM 0 HB ILE A 53 -4.642 -1.345 3.588 1.00 1.14 H new ATOM 0 HG12 ILE A 53 -5.688 -0.422 0.878 1.00 31.11 H new ATOM 0 HG13 ILE A 53 -3.995 -0.546 1.315 1.00 31.11 H new ATOM 0 HG21 ILE A 53 -6.867 -2.318 2.979 1.00 71.24 H new ATOM 0 HG22 ILE A 53 -6.990 -1.198 4.357 1.00 71.24 H new ATOM 0 HG23 ILE A 53 -7.505 -0.674 2.736 1.00 71.24 H new ATOM 0 HD11 ILE A 53 -4.696 -2.460 -0.029 1.00 72.05 H new ATOM 0 HD12 ILE A 53 -4.235 -2.985 1.607 1.00 72.05 H new ATOM 0 HD13 ILE A 53 -5.954 -2.859 1.164 1.00 72.05 H new ATOM 846 N CYS A 54 -3.104 1.382 4.533 1.00 62.43 N ATOM 847 CA CYS A 54 -1.708 1.849 4.593 1.00 64.22 C ATOM 848 C CYS A 54 -0.833 0.825 5.311 1.00 24.44 C ATOM 849 O CYS A 54 -1.247 0.247 6.319 1.00 55.13 O ATOM 850 CB CYS A 54 -1.631 3.230 5.267 1.00 21.32 C ATOM 851 SG CYS A 54 -2.440 4.530 4.282 1.00 61.23 S ATOM 0 H CYS A 54 -3.526 1.214 5.446 1.00 62.43 H new ATOM 0 HA CYS A 54 -1.328 1.955 3.577 1.00 64.22 H new ATOM 0 HB2 CYS A 54 -2.100 3.178 6.250 1.00 21.32 H new ATOM 0 HB3 CYS A 54 -0.586 3.496 5.426 1.00 21.32 H new ATOM 856 N VAL A 55 0.375 0.593 4.764 1.00 21.34 N ATOM 857 CA VAL A 55 1.339 -0.394 5.286 1.00 5.21 C ATOM 858 C VAL A 55 2.729 0.229 5.445 1.00 73.33 C ATOM 859 O VAL A 55 2.995 1.342 4.966 1.00 11.30 O ATOM 860 CB VAL A 55 1.429 -1.687 4.384 1.00 40.12 C ATOM 861 CG1 VAL A 55 0.104 -2.474 4.411 1.00 52.11 C ATOM 862 CG2 VAL A 55 1.845 -1.342 2.933 1.00 1.43 C ATOM 0 H VAL A 55 0.712 1.090 3.940 1.00 21.34 H new ATOM 0 HA VAL A 55 0.968 -0.700 6.264 1.00 5.21 H new ATOM 0 HB VAL A 55 2.207 -2.325 4.803 1.00 40.12 H new ATOM 0 HG11 VAL A 55 0.194 -3.359 3.782 1.00 52.11 H new ATOM 0 HG12 VAL A 55 -0.118 -2.777 5.434 1.00 52.11 H new ATOM 0 HG13 VAL A 55 -0.702 -1.843 4.036 1.00 52.11 H new ATOM 0 HG21 VAL A 55 1.896 -2.256 2.342 1.00 1.43 H new ATOM 0 HG22 VAL A 55 1.110 -0.667 2.494 1.00 1.43 H new ATOM 0 HG23 VAL A 55 2.822 -0.859 2.940 1.00 1.43 H new ATOM 872 N ASN A 56 3.584 -0.505 6.158 1.00 32.41 N ATOM 873 CA ASN A 56 4.977 -0.134 6.394 1.00 70.34 C ATOM 874 C ASN A 56 5.818 -0.342 5.102 1.00 2.12 C ATOM 875 O ASN A 56 5.459 -1.192 4.275 1.00 2.41 O ATOM 876 CB ASN A 56 5.525 -0.972 7.579 1.00 21.10 C ATOM 877 CG ASN A 56 4.693 -0.859 8.873 1.00 54.32 C ATOM 878 OD1 ASN A 56 4.667 -1.789 9.678 1.00 54.21 O ATOM 879 ND2 ASN A 56 4.012 0.264 9.096 1.00 53.24 N ATOM 0 H ASN A 56 3.322 -1.389 6.595 1.00 32.41 H new ATOM 0 HA ASN A 56 5.045 0.922 6.654 1.00 70.34 H new ATOM 0 HB2 ASN A 56 5.569 -2.019 7.279 1.00 21.10 H new ATOM 0 HB3 ASN A 56 6.547 -0.658 7.789 1.00 21.10 H new ATOM 0 HD21 ASN A 56 3.457 0.364 9.946 1.00 53.24 H new ATOM 0 HD22 ASN A 56 4.046 1.024 8.417 1.00 53.24 H new ATOM 886 N PRO A 57 6.956 0.414 4.920 1.00 61.02 N ATOM 887 CA PRO A 57 7.745 0.404 3.646 1.00 23.32 C ATOM 888 C PRO A 57 8.363 -0.974 3.324 1.00 22.20 C ATOM 889 O PRO A 57 8.567 -1.315 2.154 1.00 3.11 O ATOM 890 CB PRO A 57 8.851 1.463 3.909 1.00 40.32 C ATOM 891 CG PRO A 57 8.994 1.485 5.404 1.00 43.44 C ATOM 892 CD PRO A 57 7.584 1.323 5.928 1.00 4.23 C ATOM 0 HA PRO A 57 7.120 0.622 2.780 1.00 23.32 H new ATOM 0 HB2 PRO A 57 9.788 1.189 3.424 1.00 40.32 H new ATOM 0 HB3 PRO A 57 8.566 2.441 3.522 1.00 40.32 H new ATOM 0 HG2 PRO A 57 9.641 0.679 5.752 1.00 43.44 H new ATOM 0 HG3 PRO A 57 9.438 2.420 5.745 1.00 43.44 H new ATOM 0 HD2 PRO A 57 7.572 0.888 6.927 1.00 4.23 H new ATOM 0 HD3 PRO A 57 7.064 2.279 5.990 1.00 4.23 H new ATOM 900 N ARG A 58 8.650 -1.757 4.381 1.00 61.02 N ATOM 901 CA ARG A 58 9.345 -3.053 4.267 1.00 4.30 C ATOM 902 C ARG A 58 8.389 -4.233 4.507 1.00 33.32 C ATOM 903 O ARG A 58 8.833 -5.334 4.883 1.00 41.20 O ATOM 904 CB ARG A 58 10.538 -3.095 5.249 1.00 52.32 C ATOM 905 CG ARG A 58 11.618 -2.004 5.023 1.00 72.02 C ATOM 906 CD ARG A 58 12.924 -2.319 5.782 1.00 71.02 C ATOM 907 NE ARG A 58 13.528 -3.579 5.308 1.00 73.43 N ATOM 908 CZ ARG A 58 13.617 -4.733 5.997 1.00 31.24 C ATOM 909 NH1 ARG A 58 13.145 -4.837 7.239 1.00 54.42 N ATOM 910 NH2 ARG A 58 14.142 -5.794 5.407 1.00 2.31 N ATOM 0 H ARG A 58 8.406 -1.508 5.340 1.00 61.02 H new ATOM 0 HA ARG A 58 9.721 -3.151 3.249 1.00 4.30 H new ATOM 0 HB2 ARG A 58 10.155 -3.000 6.265 1.00 52.32 H new ATOM 0 HB3 ARG A 58 11.013 -4.074 5.178 1.00 52.32 H new ATOM 0 HG2 ARG A 58 11.830 -1.918 3.957 1.00 72.02 H new ATOM 0 HG3 ARG A 58 11.232 -1.038 5.350 1.00 72.02 H new ATOM 0 HD2 ARG A 58 13.632 -1.501 5.648 1.00 71.02 H new ATOM 0 HD3 ARG A 58 12.718 -2.391 6.850 1.00 71.02 H new ATOM 0 HE ARG A 58 13.917 -3.576 4.365 1.00 73.43 H new ATOM 0 HH11 ARG A 58 12.705 -4.033 7.687 1.00 54.42 H new ATOM 0 HH12 ARG A 58 13.223 -5.721 7.742 1.00 54.42 H new ATOM 0 HH21 ARG A 58 14.472 -5.731 4.444 1.00 2.31 H new ATOM 0 HH22 ARG A 58 14.217 -6.675 5.915 1.00 2.31 H new ATOM 924 N ALA A 59 7.084 -4.011 4.269 1.00 2.23 N ATOM 925 CA ALA A 59 6.096 -5.097 4.243 1.00 32.45 C ATOM 926 C ALA A 59 6.422 -6.024 3.052 1.00 30.22 C ATOM 927 O ALA A 59 6.545 -5.554 1.916 1.00 1.12 O ATOM 928 CB ALA A 59 4.663 -4.533 4.169 1.00 42.01 C ATOM 0 H ALA A 59 6.692 -3.086 4.092 1.00 2.23 H new ATOM 0 HA ALA A 59 6.148 -5.677 5.164 1.00 32.45 H new ATOM 0 HB1 ALA A 59 3.949 -5.356 4.151 1.00 42.01 H new ATOM 0 HB2 ALA A 59 4.473 -3.907 5.041 1.00 42.01 H new ATOM 0 HB3 ALA A 59 4.553 -3.937 3.263 1.00 42.01 H new ATOM 934 N LYS A 60 6.608 -7.327 3.328 1.00 14.10 N ATOM 935 CA LYS A 60 7.114 -8.300 2.329 1.00 61.21 C ATOM 936 C LYS A 60 6.064 -8.590 1.242 1.00 52.30 C ATOM 937 O LYS A 60 6.424 -8.848 0.087 1.00 35.43 O ATOM 938 CB LYS A 60 7.600 -9.635 2.984 1.00 53.40 C ATOM 939 CG LYS A 60 8.834 -9.506 3.920 1.00 14.12 C ATOM 940 CD LYS A 60 8.513 -8.943 5.326 1.00 63.32 C ATOM 941 CE LYS A 60 7.569 -9.857 6.134 1.00 2.14 C ATOM 942 NZ LYS A 60 7.361 -9.357 7.521 1.00 20.52 N ATOM 0 H LYS A 60 6.415 -7.738 4.241 1.00 14.10 H new ATOM 0 HA LYS A 60 7.979 -7.831 1.861 1.00 61.21 H new ATOM 0 HB2 LYS A 60 6.775 -10.062 3.555 1.00 53.40 H new ATOM 0 HB3 LYS A 60 7.839 -10.343 2.191 1.00 53.40 H new ATOM 0 HG2 LYS A 60 9.295 -10.488 4.031 1.00 14.12 H new ATOM 0 HG3 LYS A 60 9.571 -8.860 3.443 1.00 14.12 H new ATOM 0 HD2 LYS A 60 9.442 -8.808 5.879 1.00 63.32 H new ATOM 0 HD3 LYS A 60 8.058 -7.958 5.223 1.00 63.32 H new ATOM 0 HE2 LYS A 60 6.607 -9.926 5.625 1.00 2.14 H new ATOM 0 HE3 LYS A 60 7.983 -10.865 6.170 1.00 2.14 H new ATOM 0 HZ1 LYS A 60 6.721 -10.000 8.029 1.00 20.52 H new ATOM 0 HZ2 LYS A 60 8.275 -9.316 8.016 1.00 20.52 H new ATOM 0 HZ3 LYS A 60 6.942 -8.406 7.488 1.00 20.52 H new ATOM 956 N TRP A 61 4.762 -8.515 1.610 1.00 71.34 N ATOM 957 CA TRP A 61 3.657 -8.661 0.638 1.00 23.02 C ATOM 958 C TRP A 61 3.712 -7.493 -0.374 1.00 71.13 C ATOM 959 O TRP A 61 3.368 -7.651 -1.536 1.00 74.02 O ATOM 960 CB TRP A 61 2.256 -8.750 1.346 1.00 53.31 C ATOM 961 CG TRP A 61 1.615 -7.421 1.709 1.00 12.05 C ATOM 962 CD1 TRP A 61 1.783 -6.696 2.854 1.00 32.23 C ATOM 963 CD2 TRP A 61 0.698 -6.666 0.891 1.00 13.42 C ATOM 964 NE1 TRP A 61 1.039 -5.542 2.791 1.00 33.24 N ATOM 965 CE2 TRP A 61 0.363 -5.506 1.597 1.00 1.24 C ATOM 966 CE3 TRP A 61 0.138 -6.872 -0.379 1.00 23.10 C ATOM 967 CZ2 TRP A 61 -0.510 -4.546 1.078 1.00 14.23 C ATOM 968 CZ3 TRP A 61 -0.726 -5.925 -0.890 1.00 35.31 C ATOM 969 CH2 TRP A 61 -1.041 -4.773 -0.163 1.00 20.24 C ATOM 0 H TRP A 61 4.455 -8.355 2.569 1.00 71.34 H new ATOM 0 HA TRP A 61 3.785 -9.602 0.103 1.00 23.02 H new ATOM 0 HB2 TRP A 61 1.574 -9.295 0.694 1.00 53.31 H new ATOM 0 HB3 TRP A 61 2.366 -9.340 2.256 1.00 53.31 H new ATOM 0 HD1 TRP A 61 2.408 -6.986 3.686 1.00 32.23 H new ATOM 0 HE1 TRP A 61 0.996 -4.826 3.516 1.00 33.24 H new ATOM 0 HE3 TRP A 61 0.379 -7.758 -0.948 1.00 23.10 H new ATOM 0 HZ2 TRP A 61 -0.757 -3.656 1.637 1.00 14.23 H new ATOM 0 HZ3 TRP A 61 -1.165 -6.076 -1.865 1.00 35.31 H new ATOM 0 HH2 TRP A 61 -1.717 -4.047 -0.590 1.00 20.24 H new ATOM 980 N LEU A 62 4.170 -6.325 0.106 1.00 45.30 N ATOM 981 CA LEU A 62 4.350 -5.123 -0.716 1.00 74.11 C ATOM 982 C LEU A 62 5.577 -5.277 -1.640 1.00 31.41 C ATOM 983 O LEU A 62 5.542 -4.841 -2.789 1.00 21.33 O ATOM 984 CB LEU A 62 4.524 -3.886 0.202 1.00 3.13 C ATOM 985 CG LEU A 62 4.792 -2.522 -0.513 1.00 72.12 C ATOM 986 CD1 LEU A 62 3.591 -2.090 -1.372 1.00 55.13 C ATOM 987 CD2 LEU A 62 5.198 -1.424 0.488 1.00 0.14 C ATOM 0 H LEU A 62 4.427 -6.190 1.084 1.00 45.30 H new ATOM 0 HA LEU A 62 3.467 -4.987 -1.340 1.00 74.11 H new ATOM 0 HB2 LEU A 62 3.625 -3.782 0.810 1.00 3.13 H new ATOM 0 HB3 LEU A 62 5.350 -4.081 0.886 1.00 3.13 H new ATOM 0 HG LEU A 62 5.636 -2.670 -1.186 1.00 72.12 H new ATOM 0 HD11 LEU A 62 3.812 -1.138 -1.854 1.00 55.13 H new ATOM 0 HD12 LEU A 62 3.397 -2.846 -2.133 1.00 55.13 H new ATOM 0 HD13 LEU A 62 2.711 -1.980 -0.738 1.00 55.13 H new ATOM 0 HD21 LEU A 62 5.376 -0.491 -0.047 1.00 0.14 H new ATOM 0 HD22 LEU A 62 4.398 -1.279 1.214 1.00 0.14 H new ATOM 0 HD23 LEU A 62 6.108 -1.723 1.007 1.00 0.14 H new ATOM 999 N GLN A 63 6.650 -5.913 -1.121 1.00 22.12 N ATOM 1000 CA GLN A 63 7.913 -6.100 -1.866 1.00 61.32 C ATOM 1001 C GLN A 63 7.683 -6.910 -3.158 1.00 54.30 C ATOM 1002 O GLN A 63 8.175 -6.532 -4.222 1.00 21.32 O ATOM 1003 CB GLN A 63 8.984 -6.790 -0.974 1.00 54.35 C ATOM 1004 CG GLN A 63 10.370 -6.933 -1.641 1.00 41.45 C ATOM 1005 CD GLN A 63 11.402 -7.652 -0.763 1.00 42.34 C ATOM 1006 OE1 GLN A 63 11.541 -8.873 -0.813 1.00 65.13 O ATOM 1007 NE2 GLN A 63 12.122 -6.903 0.056 1.00 23.01 N ATOM 0 H GLN A 63 6.665 -6.308 -0.181 1.00 22.12 H new ATOM 0 HA GLN A 63 8.282 -5.113 -2.147 1.00 61.32 H new ATOM 0 HB2 GLN A 63 9.095 -6.219 -0.052 1.00 54.35 H new ATOM 0 HB3 GLN A 63 8.624 -7.780 -0.695 1.00 54.35 H new ATOM 0 HG2 GLN A 63 10.259 -7.479 -2.578 1.00 41.45 H new ATOM 0 HG3 GLN A 63 10.747 -5.942 -1.893 1.00 41.45 H new ATOM 0 HE21 GLN A 63 11.985 -5.892 0.076 1.00 23.01 H new ATOM 0 HE22 GLN A 63 12.814 -7.336 0.667 1.00 23.01 H new ATOM 1016 N ARG A 64 6.892 -7.998 -3.050 1.00 75.12 N ATOM 1017 CA ARG A 64 6.566 -8.873 -4.199 1.00 25.45 C ATOM 1018 C ARG A 64 5.672 -8.136 -5.229 1.00 5.42 C ATOM 1019 O ARG A 64 5.785 -8.374 -6.437 1.00 5.34 O ATOM 1020 CB ARG A 64 5.926 -10.206 -3.716 1.00 13.41 C ATOM 1021 CG ARG A 64 4.477 -10.119 -3.174 1.00 32.44 C ATOM 1022 CD ARG A 64 4.015 -11.415 -2.471 1.00 1.44 C ATOM 1023 NE ARG A 64 4.112 -12.601 -3.342 1.00 15.34 N ATOM 1024 CZ ARG A 64 4.008 -13.883 -2.941 1.00 70.52 C ATOM 1025 NH1 ARG A 64 3.809 -14.194 -1.653 1.00 74.02 N ATOM 1026 NH2 ARG A 64 4.106 -14.854 -3.845 1.00 21.53 N ATOM 0 H ARG A 64 6.464 -8.294 -2.173 1.00 75.12 H new ATOM 0 HA ARG A 64 7.495 -9.126 -4.710 1.00 25.45 H new ATOM 0 HB2 ARG A 64 5.938 -10.911 -4.547 1.00 13.41 H new ATOM 0 HB3 ARG A 64 6.559 -10.625 -2.933 1.00 13.41 H new ATOM 0 HG2 ARG A 64 4.407 -9.287 -2.473 1.00 32.44 H new ATOM 0 HG3 ARG A 64 3.799 -9.899 -3.999 1.00 32.44 H new ATOM 0 HD2 ARG A 64 4.620 -11.575 -1.578 1.00 1.44 H new ATOM 0 HD3 ARG A 64 2.983 -11.296 -2.140 1.00 1.44 H new ATOM 0 HE ARG A 64 4.272 -12.436 -4.336 1.00 15.34 H new ATOM 0 HH11 ARG A 64 3.733 -13.454 -0.955 1.00 74.02 H new ATOM 0 HH12 ARG A 64 3.733 -15.171 -1.370 1.00 74.02 H new ATOM 0 HH21 ARG A 64 4.258 -14.623 -4.827 1.00 21.53 H new ATOM 0 HH22 ARG A 64 4.029 -15.829 -3.556 1.00 21.53 H new ATOM 1040 N LEU A 65 4.820 -7.211 -4.732 1.00 55.40 N ATOM 1041 CA LEU A 65 4.028 -6.283 -5.580 1.00 23.11 C ATOM 1042 C LEU A 65 4.975 -5.412 -6.441 1.00 3.33 C ATOM 1043 O LEU A 65 4.800 -5.311 -7.654 1.00 32.10 O ATOM 1044 CB LEU A 65 3.095 -5.383 -4.687 1.00 61.31 C ATOM 1045 CG LEU A 65 1.600 -5.834 -4.489 1.00 42.11 C ATOM 1046 CD1 LEU A 65 0.754 -5.562 -5.750 1.00 42.54 C ATOM 1047 CD2 LEU A 65 1.471 -7.321 -4.054 1.00 14.35 C ATOM 0 H LEU A 65 4.660 -7.085 -3.733 1.00 55.40 H new ATOM 0 HA LEU A 65 3.395 -6.868 -6.247 1.00 23.11 H new ATOM 0 HB2 LEU A 65 3.553 -5.303 -3.701 1.00 61.31 H new ATOM 0 HB3 LEU A 65 3.087 -4.381 -5.117 1.00 61.31 H new ATOM 0 HG LEU A 65 1.208 -5.227 -3.673 1.00 42.11 H new ATOM 0 HD11 LEU A 65 -0.272 -5.886 -5.577 1.00 42.54 H new ATOM 0 HD12 LEU A 65 0.765 -4.495 -5.972 1.00 42.54 H new ATOM 0 HD13 LEU A 65 1.171 -6.113 -6.593 1.00 42.54 H new ATOM 0 HD21 LEU A 65 0.418 -7.575 -3.933 1.00 14.35 H new ATOM 0 HD22 LEU A 65 1.914 -7.963 -4.816 1.00 14.35 H new ATOM 0 HD23 LEU A 65 1.991 -7.470 -3.108 1.00 14.35 H new ATOM 1059 N LEU A 66 6.004 -4.835 -5.783 1.00 2.20 N ATOM 1060 CA LEU A 66 7.005 -3.950 -6.426 1.00 53.22 C ATOM 1061 C LEU A 66 7.867 -4.717 -7.457 1.00 54.15 C ATOM 1062 O LEU A 66 8.242 -4.166 -8.500 1.00 71.24 O ATOM 1063 CB LEU A 66 7.905 -3.295 -5.339 1.00 13.42 C ATOM 1064 CG LEU A 66 7.157 -2.442 -4.255 1.00 53.01 C ATOM 1065 CD1 LEU A 66 8.121 -1.942 -3.158 1.00 20.34 C ATOM 1066 CD2 LEU A 66 6.379 -1.262 -4.891 1.00 64.41 C ATOM 0 H LEU A 66 6.166 -4.970 -4.785 1.00 2.20 H new ATOM 0 HA LEU A 66 6.470 -3.170 -6.967 1.00 53.22 H new ATOM 0 HB2 LEU A 66 8.462 -4.083 -4.833 1.00 13.42 H new ATOM 0 HB3 LEU A 66 8.636 -2.657 -5.836 1.00 13.42 H new ATOM 0 HG LEU A 66 6.429 -3.100 -3.781 1.00 53.01 H new ATOM 0 HD11 LEU A 66 7.566 -1.355 -2.426 1.00 20.34 H new ATOM 0 HD12 LEU A 66 8.584 -2.796 -2.663 1.00 20.34 H new ATOM 0 HD13 LEU A 66 8.895 -1.321 -3.609 1.00 20.34 H new ATOM 0 HD21 LEU A 66 5.874 -0.695 -4.109 1.00 64.41 H new ATOM 0 HD22 LEU A 66 7.075 -0.611 -5.420 1.00 64.41 H new ATOM 0 HD23 LEU A 66 5.640 -1.649 -5.592 1.00 64.41 H new ATOM 1078 N ARG A 67 8.148 -6.002 -7.151 1.00 23.04 N ATOM 1079 CA ARG A 67 8.888 -6.914 -8.048 1.00 30.24 C ATOM 1080 C ARG A 67 8.033 -7.275 -9.284 1.00 63.12 C ATOM 1081 O ARG A 67 8.572 -7.471 -10.376 1.00 60.35 O ATOM 1082 CB ARG A 67 9.329 -8.194 -7.274 1.00 41.31 C ATOM 1083 CG ARG A 67 10.384 -7.934 -6.167 1.00 42.24 C ATOM 1084 CD ARG A 67 10.757 -9.201 -5.371 1.00 44.42 C ATOM 1085 NE ARG A 67 11.409 -10.243 -6.198 1.00 40.31 N ATOM 1086 CZ ARG A 67 11.741 -11.483 -5.771 1.00 41.02 C ATOM 1087 NH1 ARG A 67 11.498 -11.871 -4.516 1.00 24.31 N ATOM 1088 NH2 ARG A 67 12.324 -12.330 -6.610 1.00 33.34 N ATOM 0 H ARG A 67 7.867 -6.437 -6.272 1.00 23.04 H new ATOM 0 HA ARG A 67 9.785 -6.405 -8.401 1.00 30.24 H new ATOM 0 HB2 ARG A 67 8.450 -8.653 -6.822 1.00 41.31 H new ATOM 0 HB3 ARG A 67 9.734 -8.914 -7.985 1.00 41.31 H new ATOM 0 HG2 ARG A 67 11.284 -7.521 -6.622 1.00 42.24 H new ATOM 0 HG3 ARG A 67 10.001 -7.181 -5.479 1.00 42.24 H new ATOM 0 HD2 ARG A 67 11.424 -8.925 -4.554 1.00 44.42 H new ATOM 0 HD3 ARG A 67 9.856 -9.616 -4.920 1.00 44.42 H new ATOM 0 HE ARG A 67 11.625 -10.007 -7.166 1.00 40.31 H new ATOM 0 HH11 ARG A 67 11.054 -11.228 -3.860 1.00 24.31 H new ATOM 0 HH12 ARG A 67 11.756 -12.810 -4.214 1.00 24.31 H new ATOM 0 HH21 ARG A 67 12.519 -12.044 -7.570 1.00 33.34 H new ATOM 0 HH22 ARG A 67 12.577 -13.267 -6.295 1.00 33.34 H new ATOM 1102 N HIS A 68 6.697 -7.347 -9.096 1.00 40.24 N ATOM 1103 CA HIS A 68 5.740 -7.589 -10.197 1.00 2.41 C ATOM 1104 C HIS A 68 5.558 -6.330 -11.079 1.00 61.12 C ATOM 1105 O HIS A 68 5.288 -6.455 -12.279 1.00 72.53 O ATOM 1106 CB HIS A 68 4.374 -8.068 -9.637 1.00 3.34 C ATOM 1107 CG HIS A 68 3.334 -8.359 -10.695 1.00 12.50 C ATOM 1108 ND1 HIS A 68 2.148 -7.668 -10.798 1.00 11.24 N ATOM 1109 CD2 HIS A 68 3.308 -9.283 -11.691 1.00 70.14 C ATOM 1110 CE1 HIS A 68 1.442 -8.147 -11.798 1.00 50.52 C ATOM 1111 NE2 HIS A 68 2.123 -9.126 -12.356 1.00 1.34 N ATOM 0 H HIS A 68 6.254 -7.240 -8.183 1.00 40.24 H new ATOM 0 HA HIS A 68 6.153 -8.376 -10.828 1.00 2.41 H new ATOM 0 HB2 HIS A 68 4.534 -8.969 -9.044 1.00 3.34 H new ATOM 0 HB3 HIS A 68 3.985 -7.306 -8.961 1.00 3.34 H new ATOM 0 HD2 HIS A 68 4.078 -10.006 -11.915 1.00 70.14 H new ATOM 0 HE1 HIS A 68 0.469 -7.797 -12.109 1.00 50.52 H new ATOM 0 HE2 HIS A 68 1.816 -9.679 -13.156 1.00 1.34 H new ATOM 1120 N VAL A 69 5.698 -5.125 -10.474 1.00 21.41 N ATOM 1121 CA VAL A 69 5.623 -3.841 -11.215 1.00 11.54 C ATOM 1122 C VAL A 69 6.799 -3.760 -12.205 1.00 33.33 C ATOM 1123 O VAL A 69 6.610 -3.490 -13.403 1.00 12.45 O ATOM 1124 CB VAL A 69 5.635 -2.588 -10.250 1.00 2.41 C ATOM 1125 CG1 VAL A 69 5.693 -1.250 -11.034 1.00 11.50 C ATOM 1126 CG2 VAL A 69 4.417 -2.604 -9.299 1.00 52.04 C ATOM 0 H VAL A 69 5.864 -5.015 -9.474 1.00 21.41 H new ATOM 0 HA VAL A 69 4.675 -3.818 -11.753 1.00 11.54 H new ATOM 0 HB VAL A 69 6.543 -2.659 -9.651 1.00 2.41 H new ATOM 0 HG11 VAL A 69 5.699 -0.417 -10.331 1.00 11.50 H new ATOM 0 HG12 VAL A 69 6.599 -1.222 -11.639 1.00 11.50 H new ATOM 0 HG13 VAL A 69 4.821 -1.171 -11.683 1.00 11.50 H new ATOM 0 HG21 VAL A 69 4.452 -1.731 -8.648 1.00 52.04 H new ATOM 0 HG22 VAL A 69 3.498 -2.583 -9.885 1.00 52.04 H new ATOM 0 HG23 VAL A 69 4.440 -3.510 -8.693 1.00 52.04 H new ATOM 1136 N GLN A 70 8.016 -4.040 -11.698 1.00 1.22 N ATOM 1137 CA GLN A 70 9.219 -4.147 -12.538 1.00 21.53 C ATOM 1138 C GLN A 70 9.446 -5.637 -12.873 1.00 62.15 C ATOM 1139 O GLN A 70 10.430 -6.264 -12.451 1.00 72.01 O ATOM 1140 CB GLN A 70 10.453 -3.490 -11.851 1.00 43.44 C ATOM 1141 CG GLN A 70 11.707 -3.376 -12.756 1.00 64.41 C ATOM 1142 CD GLN A 70 12.917 -2.758 -12.048 1.00 11.43 C ATOM 1143 OE1 GLN A 70 13.739 -3.467 -11.462 1.00 44.24 O ATOM 1144 NE2 GLN A 70 13.022 -1.438 -12.079 1.00 61.20 N ATOM 0 H GLN A 70 8.189 -4.196 -10.705 1.00 1.22 H new ATOM 0 HA GLN A 70 9.077 -3.597 -13.468 1.00 21.53 H new ATOM 0 HB2 GLN A 70 10.175 -2.493 -11.510 1.00 43.44 H new ATOM 0 HB3 GLN A 70 10.711 -4.070 -10.965 1.00 43.44 H new ATOM 0 HG2 GLN A 70 11.976 -4.368 -13.118 1.00 64.41 H new ATOM 0 HG3 GLN A 70 11.461 -2.774 -13.630 1.00 64.41 H new ATOM 0 HE21 GLN A 70 12.324 -0.882 -12.573 1.00 61.20 H new ATOM 0 HE22 GLN A 70 13.801 -0.977 -11.609 1.00 61.20 H new ATOM 1153 N SER A 71 8.458 -6.224 -13.568 1.00 14.04 N ATOM 1154 CA SER A 71 8.583 -7.565 -14.166 1.00 24.13 C ATOM 1155 C SER A 71 9.516 -7.496 -15.386 1.00 1.43 C ATOM 1156 O SER A 71 10.175 -8.475 -15.742 1.00 72.40 O ATOM 1157 CB SER A 71 7.189 -8.102 -14.575 1.00 11.30 C ATOM 1158 OG SER A 71 7.265 -9.431 -15.092 1.00 32.35 O ATOM 0 H SER A 71 7.552 -5.784 -13.731 1.00 14.04 H new ATOM 0 HA SER A 71 9.009 -8.250 -13.432 1.00 24.13 H new ATOM 0 HB2 SER A 71 6.525 -8.085 -13.711 1.00 11.30 H new ATOM 0 HB3 SER A 71 6.752 -7.444 -15.326 1.00 11.30 H new ATOM 0 HG SER A 71 6.368 -9.738 -15.338 1.00 32.35 H new ATOM 1164 N LYS A 72 9.554 -6.314 -16.010 1.00 50.11 N ATOM 1165 CA LYS A 72 10.403 -6.024 -17.159 1.00 63.33 C ATOM 1166 C LYS A 72 11.789 -5.578 -16.659 1.00 74.11 C ATOM 1167 O LYS A 72 11.897 -4.564 -15.955 1.00 3.44 O ATOM 1168 CB LYS A 72 9.754 -4.907 -18.010 1.00 25.14 C ATOM 1169 CG LYS A 72 8.306 -5.207 -18.465 1.00 54.01 C ATOM 1170 CD LYS A 72 7.686 -4.040 -19.268 1.00 74.42 C ATOM 1171 CE LYS A 72 7.521 -2.762 -18.424 1.00 44.10 C ATOM 1172 NZ LYS A 72 7.094 -1.595 -19.242 1.00 63.23 N ATOM 0 H LYS A 72 8.983 -5.520 -15.721 1.00 50.11 H new ATOM 0 HA LYS A 72 10.514 -6.915 -17.776 1.00 63.33 H new ATOM 0 HB2 LYS A 72 9.756 -3.981 -17.434 1.00 25.14 H new ATOM 0 HB3 LYS A 72 10.370 -4.735 -18.892 1.00 25.14 H new ATOM 0 HG2 LYS A 72 8.300 -6.109 -19.077 1.00 54.01 H new ATOM 0 HG3 LYS A 72 7.688 -5.411 -17.590 1.00 54.01 H new ATOM 0 HD2 LYS A 72 8.316 -3.822 -20.131 1.00 74.42 H new ATOM 0 HD3 LYS A 72 6.713 -4.345 -19.653 1.00 74.42 H new ATOM 0 HE2 LYS A 72 6.786 -2.940 -17.639 1.00 44.10 H new ATOM 0 HE3 LYS A 72 8.465 -2.531 -17.931 1.00 44.10 H new ATOM 0 HZ1 LYS A 72 6.997 -0.759 -18.630 1.00 63.23 H new ATOM 0 HZ2 LYS A 72 7.807 -1.406 -19.976 1.00 63.23 H new ATOM 0 HZ3 LYS A 72 6.180 -1.803 -19.693 1.00 63.23 H new ATOM 1186 N SER A 73 12.828 -6.353 -17.008 1.00 63.41 N ATOM 1187 CA SER A 73 14.224 -6.041 -16.672 1.00 14.33 C ATOM 1188 C SER A 73 14.712 -4.794 -17.446 1.00 42.32 C ATOM 1189 O SER A 73 14.489 -4.699 -18.663 1.00 54.24 O ATOM 1190 CB SER A 73 15.119 -7.261 -16.984 1.00 25.21 C ATOM 1191 OG SER A 73 14.697 -8.397 -16.248 1.00 42.14 O ATOM 0 H SER A 73 12.721 -7.220 -17.535 1.00 63.41 H new ATOM 0 HA SER A 73 14.287 -5.817 -15.607 1.00 14.33 H new ATOM 0 HB2 SER A 73 15.084 -7.480 -18.051 1.00 25.21 H new ATOM 0 HB3 SER A 73 16.156 -7.029 -16.740 1.00 25.21 H new ATOM 0 HG SER A 73 15.276 -9.159 -16.461 1.00 42.14 H new ATOM 1197 N LEU A 74 15.328 -3.837 -16.711 1.00 51.42 N ATOM 1198 CA LEU A 74 15.928 -2.601 -17.263 1.00 52.50 C ATOM 1199 C LEU A 74 14.828 -1.649 -17.838 1.00 43.32 C ATOM 1200 O LEU A 74 15.076 -0.854 -18.750 1.00 13.44 O ATOM 1201 CB LEU A 74 17.045 -2.968 -18.313 1.00 0.24 C ATOM 1202 CG LEU A 74 17.973 -1.807 -18.811 1.00 72.01 C ATOM 1203 CD1 LEU A 74 18.832 -1.222 -17.666 1.00 2.13 C ATOM 1204 CD2 LEU A 74 18.849 -2.259 -19.998 1.00 62.32 C ATOM 0 H LEU A 74 15.423 -3.905 -15.698 1.00 51.42 H new ATOM 0 HA LEU A 74 16.413 -2.044 -16.461 1.00 52.50 H new ATOM 0 HB2 LEU A 74 17.677 -3.741 -17.877 1.00 0.24 H new ATOM 0 HB3 LEU A 74 16.558 -3.408 -19.184 1.00 0.24 H new ATOM 0 HG LEU A 74 17.324 -1.006 -19.164 1.00 72.01 H new ATOM 0 HD11 LEU A 74 19.460 -0.421 -18.055 1.00 2.13 H new ATOM 0 HD12 LEU A 74 18.180 -0.826 -16.887 1.00 2.13 H new ATOM 0 HD13 LEU A 74 19.463 -2.006 -17.247 1.00 2.13 H new ATOM 0 HD21 LEU A 74 19.481 -1.431 -20.320 1.00 62.32 H new ATOM 0 HD22 LEU A 74 19.476 -3.096 -19.690 1.00 62.32 H new ATOM 0 HD23 LEU A 74 18.210 -2.570 -20.824 1.00 62.32 H new ATOM 1216 N SER A 75 13.607 -1.721 -17.265 1.00 31.41 N ATOM 1217 CA SER A 75 12.491 -0.836 -17.651 1.00 41.44 C ATOM 1218 C SER A 75 12.548 0.480 -16.846 1.00 4.12 C ATOM 1219 O SER A 75 12.511 0.465 -15.604 1.00 61.34 O ATOM 1220 CB SER A 75 11.130 -1.532 -17.435 1.00 64.04 C ATOM 1221 OG SER A 75 10.079 -0.770 -18.020 1.00 4.20 O ATOM 0 H SER A 75 13.370 -2.387 -16.530 1.00 31.41 H new ATOM 0 HA SER A 75 12.593 -0.608 -18.712 1.00 41.44 H new ATOM 0 HB2 SER A 75 11.152 -2.529 -17.875 1.00 64.04 H new ATOM 0 HB3 SER A 75 10.945 -1.658 -16.368 1.00 64.04 H new ATOM 0 HG SER A 75 9.435 -0.514 -17.327 1.00 4.20 H new ATOM 1227 N SER A 76 12.639 1.609 -17.562 1.00 54.54 N ATOM 1228 CA SER A 76 12.721 2.960 -16.976 1.00 20.20 C ATOM 1229 C SER A 76 11.461 3.776 -17.343 1.00 72.33 C ATOM 1230 O SER A 76 11.484 5.018 -17.349 1.00 63.21 O ATOM 1231 CB SER A 76 14.017 3.642 -17.485 1.00 55.33 C ATOM 1232 OG SER A 76 14.230 4.909 -16.886 1.00 3.25 O ATOM 0 H SER A 76 12.658 1.613 -18.582 1.00 54.54 H new ATOM 0 HA SER A 76 12.761 2.901 -15.888 1.00 20.20 H new ATOM 0 HB2 SER A 76 14.870 2.996 -17.277 1.00 55.33 H new ATOM 0 HB3 SER A 76 13.962 3.759 -18.567 1.00 55.33 H new ATOM 0 HG SER A 76 13.379 5.393 -16.832 1.00 3.25 H new ATOM 1238 N THR A 77 10.336 3.073 -17.608 1.00 55.20 N ATOM 1239 CA THR A 77 9.037 3.708 -17.920 1.00 61.42 C ATOM 1240 C THR A 77 7.908 3.154 -16.997 1.00 11.00 C ATOM 1241 O THR A 77 6.968 2.508 -17.485 1.00 41.32 O ATOM 1242 CB THR A 77 8.670 3.506 -19.438 1.00 64.22 C ATOM 1243 OG1 THR A 77 8.675 2.105 -19.748 1.00 64.40 O ATOM 1244 CG2 THR A 77 9.638 4.241 -20.397 1.00 41.50 C ATOM 0 H THR A 77 10.304 2.054 -17.611 1.00 55.20 H new ATOM 0 HA THR A 77 9.129 4.778 -17.731 1.00 61.42 H new ATOM 0 HB THR A 77 7.679 3.935 -19.586 1.00 64.22 H new ATOM 0 HG1 THR A 77 8.004 1.646 -19.200 1.00 64.40 H new ATOM 0 HG21 THR A 77 9.333 4.064 -21.428 1.00 41.50 H new ATOM 0 HG22 THR A 77 9.613 5.311 -20.190 1.00 41.50 H new ATOM 0 HG23 THR A 77 10.651 3.867 -20.249 1.00 41.50 H new ATOM 1252 N PRO A 78 7.977 3.382 -15.638 1.00 34.33 N ATOM 1253 CA PRO A 78 6.932 2.914 -14.709 1.00 2.31 C ATOM 1254 C PRO A 78 5.770 3.929 -14.587 1.00 63.21 C ATOM 1255 O PRO A 78 5.981 5.153 -14.638 1.00 30.23 O ATOM 1256 CB PRO A 78 7.707 2.773 -13.380 1.00 3.13 C ATOM 1257 CG PRO A 78 8.740 3.869 -13.419 1.00 71.44 C ATOM 1258 CD PRO A 78 9.052 4.116 -14.894 1.00 43.13 C ATOM 0 HA PRO A 78 6.451 1.991 -15.032 1.00 2.31 H new ATOM 0 HB2 PRO A 78 7.044 2.884 -12.522 1.00 3.13 H new ATOM 0 HB3 PRO A 78 8.174 1.792 -13.297 1.00 3.13 H new ATOM 0 HG2 PRO A 78 8.363 4.775 -12.945 1.00 71.44 H new ATOM 0 HG3 PRO A 78 9.638 3.575 -12.876 1.00 71.44 H new ATOM 0 HD2 PRO A 78 9.040 5.180 -15.129 1.00 43.13 H new ATOM 0 HD3 PRO A 78 10.042 3.743 -15.157 1.00 43.13 H new ATOM 1266 N GLN A 79 4.543 3.416 -14.425 1.00 41.11 N ATOM 1267 CA GLN A 79 3.374 4.244 -14.090 1.00 11.54 C ATOM 1268 C GLN A 79 3.365 4.471 -12.567 1.00 34.31 C ATOM 1269 O GLN A 79 2.633 3.818 -11.817 1.00 12.43 O ATOM 1270 CB GLN A 79 2.059 3.592 -14.617 1.00 41.12 C ATOM 1271 CG GLN A 79 1.940 3.575 -16.163 1.00 51.02 C ATOM 1272 CD GLN A 79 0.659 2.915 -16.689 1.00 63.33 C ATOM 1273 OE1 GLN A 79 0.130 1.975 -16.093 1.00 24.31 O ATOM 1274 NE2 GLN A 79 0.155 3.398 -17.814 1.00 43.34 N ATOM 0 H GLN A 79 4.332 2.423 -14.521 1.00 41.11 H new ATOM 0 HA GLN A 79 3.437 5.214 -14.583 1.00 11.54 H new ATOM 0 HB2 GLN A 79 1.999 2.569 -14.247 1.00 41.12 H new ATOM 0 HB3 GLN A 79 1.207 4.131 -14.203 1.00 41.12 H new ATOM 0 HG2 GLN A 79 1.984 4.600 -16.531 1.00 51.02 H new ATOM 0 HG3 GLN A 79 2.801 3.051 -16.577 1.00 51.02 H new ATOM 0 HE21 GLN A 79 0.615 4.177 -18.286 1.00 43.34 H new ATOM 0 HE22 GLN A 79 -0.693 2.991 -18.209 1.00 43.34 H new ATOM 1283 N ALA A 80 4.280 5.354 -12.132 1.00 4.32 N ATOM 1284 CA ALA A 80 4.479 5.710 -10.720 1.00 11.35 C ATOM 1285 C ALA A 80 3.439 6.766 -10.293 1.00 72.40 C ATOM 1286 O ALA A 80 3.087 7.624 -11.106 1.00 11.13 O ATOM 1287 CB ALA A 80 5.917 6.227 -10.512 1.00 51.10 C ATOM 0 H ALA A 80 4.911 5.847 -12.763 1.00 4.32 H new ATOM 0 HA ALA A 80 4.340 4.827 -10.097 1.00 11.35 H new ATOM 0 HB1 ALA A 80 6.061 6.490 -9.464 1.00 51.10 H new ATOM 0 HB2 ALA A 80 6.627 5.449 -10.792 1.00 51.10 H new ATOM 0 HB3 ALA A 80 6.080 7.108 -11.133 1.00 51.10 H new ATOM 1293 N PRO A 81 2.925 6.716 -9.019 1.00 25.21 N ATOM 1294 CA PRO A 81 1.857 7.631 -8.542 1.00 71.41 C ATOM 1295 C PRO A 81 2.328 9.110 -8.474 1.00 31.15 C ATOM 1296 O PRO A 81 2.837 9.583 -7.448 1.00 72.21 O ATOM 1297 CB PRO A 81 1.497 7.053 -7.150 1.00 53.45 C ATOM 1298 CG PRO A 81 2.762 6.392 -6.697 1.00 73.33 C ATOM 1299 CD PRO A 81 3.341 5.768 -7.944 1.00 10.35 C ATOM 0 HA PRO A 81 1.001 7.671 -9.215 1.00 71.41 H new ATOM 0 HB2 PRO A 81 1.187 7.837 -6.460 1.00 53.45 H new ATOM 0 HB3 PRO A 81 0.674 6.341 -7.214 1.00 53.45 H new ATOM 0 HG2 PRO A 81 3.451 7.115 -6.260 1.00 73.33 H new ATOM 0 HG3 PRO A 81 2.563 5.639 -5.934 1.00 73.33 H new ATOM 0 HD2 PRO A 81 4.426 5.677 -7.884 1.00 10.35 H new ATOM 0 HD3 PRO A 81 2.946 4.766 -8.114 1.00 10.35 H new ATOM 1307 N VAL A 82 2.176 9.813 -9.610 1.00 22.34 N ATOM 1308 CA VAL A 82 2.599 11.228 -9.761 1.00 21.22 C ATOM 1309 C VAL A 82 1.540 12.186 -9.175 1.00 31.42 C ATOM 1310 O VAL A 82 1.829 13.365 -8.939 1.00 10.33 O ATOM 1311 CB VAL A 82 2.931 11.631 -11.261 1.00 53.52 C ATOM 1312 CG1 VAL A 82 4.012 10.703 -11.880 1.00 1.03 C ATOM 1313 CG2 VAL A 82 1.667 11.709 -12.165 1.00 23.32 C ATOM 0 H VAL A 82 1.757 9.421 -10.453 1.00 22.34 H new ATOM 0 HA VAL A 82 3.527 11.324 -9.197 1.00 21.22 H new ATOM 0 HB VAL A 82 3.341 12.640 -11.217 1.00 53.52 H new ATOM 0 HG11 VAL A 82 4.211 11.011 -12.906 1.00 1.03 H new ATOM 0 HG12 VAL A 82 4.929 10.773 -11.295 1.00 1.03 H new ATOM 0 HG13 VAL A 82 3.655 9.673 -11.873 1.00 1.03 H new ATOM 0 HG21 VAL A 82 1.960 11.989 -13.177 1.00 23.32 H new ATOM 0 HG22 VAL A 82 1.174 10.737 -12.186 1.00 23.32 H new ATOM 0 HG23 VAL A 82 0.980 12.456 -11.767 1.00 23.32 H new ATOM 1323 N SER A 83 0.321 11.658 -8.948 1.00 53.12 N ATOM 1324 CA SER A 83 -0.789 12.412 -8.353 1.00 50.12 C ATOM 1325 C SER A 83 -0.484 12.719 -6.871 1.00 43.04 C ATOM 1326 O SER A 83 -0.728 11.899 -5.975 1.00 51.33 O ATOM 1327 CB SER A 83 -2.121 11.630 -8.511 1.00 1.51 C ATOM 1328 OG SER A 83 -3.219 12.348 -7.972 1.00 73.44 O ATOM 0 H SER A 83 0.083 10.693 -9.175 1.00 53.12 H new ATOM 0 HA SER A 83 -0.900 13.361 -8.878 1.00 50.12 H new ATOM 0 HB2 SER A 83 -2.301 11.428 -9.567 1.00 1.51 H new ATOM 0 HB3 SER A 83 -2.037 10.665 -8.012 1.00 1.51 H new ATOM 0 HG SER A 83 -4.040 11.827 -8.090 1.00 73.44 H new ATOM 1334 N LYS A 84 0.129 13.892 -6.652 1.00 44.22 N ATOM 1335 CA LYS A 84 0.384 14.449 -5.320 1.00 14.23 C ATOM 1336 C LYS A 84 -0.878 15.222 -4.892 1.00 11.24 C ATOM 1337 O LYS A 84 -0.946 16.454 -4.988 1.00 1.24 O ATOM 1338 CB LYS A 84 1.644 15.357 -5.379 1.00 23.02 C ATOM 1339 CG LYS A 84 2.173 15.858 -4.012 1.00 73.21 C ATOM 1340 CD LYS A 84 3.340 16.870 -4.165 1.00 34.15 C ATOM 1341 CE LYS A 84 4.506 16.329 -5.019 1.00 50.02 C ATOM 1342 NZ LYS A 84 5.103 15.096 -4.440 1.00 34.45 N ATOM 0 H LYS A 84 0.466 14.487 -7.409 1.00 44.22 H new ATOM 0 HA LYS A 84 0.585 13.671 -4.583 1.00 14.23 H new ATOM 0 HB2 LYS A 84 2.442 14.808 -5.878 1.00 23.02 H new ATOM 0 HB3 LYS A 84 1.417 16.223 -6.000 1.00 23.02 H new ATOM 0 HG2 LYS A 84 1.359 16.327 -3.460 1.00 73.21 H new ATOM 0 HG3 LYS A 84 2.509 15.006 -3.421 1.00 73.21 H new ATOM 0 HD2 LYS A 84 2.961 17.786 -4.618 1.00 34.15 H new ATOM 0 HD3 LYS A 84 3.715 17.135 -3.176 1.00 34.15 H new ATOM 0 HE2 LYS A 84 4.148 16.118 -6.027 1.00 50.02 H new ATOM 0 HE3 LYS A 84 5.275 17.096 -5.107 1.00 50.02 H new ATOM 0 HZ1 LYS A 84 5.882 14.769 -5.047 1.00 34.45 H new ATOM 0 HZ2 LYS A 84 5.469 15.301 -3.488 1.00 34.45 H new ATOM 0 HZ3 LYS A 84 4.377 14.354 -4.379 1.00 34.45 H new ATOM 1356 N ARG A 85 -1.913 14.461 -4.505 1.00 3.41 N ATOM 1357 CA ARG A 85 -3.258 14.997 -4.267 1.00 25.24 C ATOM 1358 C ARG A 85 -3.706 14.691 -2.832 1.00 44.52 C ATOM 1359 O ARG A 85 -4.122 13.568 -2.518 1.00 34.11 O ATOM 1360 CB ARG A 85 -4.255 14.404 -5.308 1.00 31.33 C ATOM 1361 CG ARG A 85 -5.670 15.030 -5.272 1.00 74.53 C ATOM 1362 CD ARG A 85 -5.656 16.529 -5.625 1.00 34.34 C ATOM 1363 NE ARG A 85 -6.994 17.133 -5.568 1.00 65.20 N ATOM 1364 CZ ARG A 85 -7.292 18.377 -5.976 1.00 14.13 C ATOM 1365 NH1 ARG A 85 -6.350 19.171 -6.484 1.00 34.52 N ATOM 1366 NH2 ARG A 85 -8.534 18.822 -5.876 1.00 10.35 N ATOM 0 H ARG A 85 -1.839 13.456 -4.349 1.00 3.41 H new ATOM 0 HA ARG A 85 -3.241 16.080 -4.388 1.00 25.24 H new ATOM 0 HB2 ARG A 85 -3.839 14.536 -6.307 1.00 31.33 H new ATOM 0 HB3 ARG A 85 -4.342 13.331 -5.138 1.00 31.33 H new ATOM 0 HG2 ARG A 85 -6.317 14.500 -5.971 1.00 74.53 H new ATOM 0 HG3 ARG A 85 -6.098 14.897 -4.279 1.00 74.53 H new ATOM 0 HD2 ARG A 85 -4.994 17.055 -4.937 1.00 34.34 H new ATOM 0 HD3 ARG A 85 -5.244 16.659 -6.626 1.00 34.34 H new ATOM 0 HE ARG A 85 -7.753 16.565 -5.191 1.00 65.20 H new ATOM 0 HH11 ARG A 85 -5.390 18.836 -6.566 1.00 34.52 H new ATOM 0 HH12 ARG A 85 -6.589 20.114 -6.791 1.00 34.52 H new ATOM 0 HH21 ARG A 85 -9.262 18.221 -5.490 1.00 10.35 H new ATOM 0 HH22 ARG A 85 -8.764 19.767 -6.185 1.00 10.35 H new ATOM 1380 N ARG A 86 -3.554 15.689 -1.956 1.00 30.52 N ATOM 1381 CA ARG A 86 -4.089 15.658 -0.590 1.00 64.12 C ATOM 1382 C ARG A 86 -5.427 16.400 -0.549 1.00 62.12 C ATOM 1383 O ARG A 86 -5.504 17.553 -0.109 1.00 74.13 O ATOM 1384 CB ARG A 86 -3.078 16.268 0.420 1.00 40.33 C ATOM 1385 CG ARG A 86 -1.827 15.404 0.661 1.00 61.51 C ATOM 1386 CD ARG A 86 -0.907 15.995 1.737 1.00 34.13 C ATOM 1387 NE ARG A 86 0.136 15.043 2.140 1.00 61.50 N ATOM 1388 CZ ARG A 86 0.519 14.800 3.399 1.00 75.22 C ATOM 1389 NH1 ARG A 86 -0.050 15.446 4.417 1.00 23.13 N ATOM 1390 NH2 ARG A 86 1.450 13.884 3.629 1.00 12.32 N ATOM 0 H ARG A 86 -3.052 16.549 -2.176 1.00 30.52 H new ATOM 0 HA ARG A 86 -4.252 14.621 -0.297 1.00 64.12 H new ATOM 0 HB2 ARG A 86 -2.765 17.247 0.057 1.00 40.33 H new ATOM 0 HB3 ARG A 86 -3.584 16.428 1.372 1.00 40.33 H new ATOM 0 HG2 ARG A 86 -2.133 14.401 0.959 1.00 61.51 H new ATOM 0 HG3 ARG A 86 -1.273 15.304 -0.272 1.00 61.51 H new ATOM 0 HD2 ARG A 86 -0.443 16.906 1.359 1.00 34.13 H new ATOM 0 HD3 ARG A 86 -1.499 16.277 2.608 1.00 34.13 H new ATOM 0 HE ARG A 86 0.607 14.524 1.399 1.00 61.50 H new ATOM 0 HH11 ARG A 86 -0.784 16.132 4.239 1.00 23.13 H new ATOM 0 HH12 ARG A 86 0.248 15.254 5.373 1.00 23.13 H new ATOM 0 HH21 ARG A 86 1.866 13.373 2.850 1.00 12.32 H new ATOM 0 HH22 ARG A 86 1.750 13.690 4.584 1.00 12.32 H new ATOM 1404 N ALA A 87 -6.467 15.746 -1.084 1.00 75.32 N ATOM 1405 CA ALA A 87 -7.845 16.241 -1.004 1.00 51.00 C ATOM 1406 C ALA A 87 -8.403 15.979 0.406 1.00 62.14 C ATOM 1407 O ALA A 87 -7.911 15.088 1.111 1.00 53.21 O ATOM 1408 CB ALA A 87 -8.706 15.570 -2.083 1.00 51.04 C ATOM 0 H ALA A 87 -6.376 14.861 -1.583 1.00 75.32 H new ATOM 0 HA ALA A 87 -7.863 17.316 -1.185 1.00 51.00 H new ATOM 0 HB1 ALA A 87 -9.728 15.943 -2.017 1.00 51.04 H new ATOM 0 HB2 ALA A 87 -8.299 15.799 -3.068 1.00 51.04 H new ATOM 0 HB3 ALA A 87 -8.703 14.491 -1.932 1.00 51.04 H new ATOM 1414 N ALA A 88 -9.395 16.783 0.827 1.00 71.04 N ATOM 1415 CA ALA A 88 -10.046 16.634 2.141 1.00 51.24 C ATOM 1416 C ALA A 88 -11.306 15.740 1.989 1.00 35.12 C ATOM 1417 O ALA A 88 -12.385 16.262 1.631 1.00 52.41 O ATOM 1418 CB ALA A 88 -10.362 18.027 2.744 1.00 22.43 C ATOM 1419 OXT ALA A 88 -11.190 14.505 2.170 1.00 37.30 O ATOM 0 H ALA A 88 -9.767 17.551 0.269 1.00 71.04 H new ATOM 0 HA ALA A 88 -9.375 16.139 2.843 1.00 51.24 H new ATOM 0 HB1 ALA A 88 -10.843 17.903 3.714 1.00 22.43 H new ATOM 0 HB2 ALA A 88 -9.436 18.589 2.867 1.00 22.43 H new ATOM 0 HB3 ALA A 88 -11.030 18.570 2.075 1.00 22.43 H new TER 1425 ALA A 88