USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 709 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 MET CE :methyl 159:sc= -0.204 (180deg=-1.28) USER MOD Set 2.1: A 71 THR OG1 : rot -52:sc= 0.816 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -172:sc= 0.0089 (180deg=0) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -2.34! (180deg=-4.02!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -4.08 K(o=-4.1,f=-5.1!) USER MOD Single : A 36 SER OG : rot -52:sc= -0.153 USER MOD Single : A 42 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.44) USER MOD Single : A 56 THR OG1 : rot -124:sc= 1.21 USER MOD Single : A 63 THR OG1 : rot -140:sc= -0.0861 USER MOD Single : A 74 ASN : amide:sc= -11.7! C(o=-12!,f=-10!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.158 (180deg=0.151) USER MOD Single : A 88 LYS NZ :NH3+ -115:sc= 0.118 (180deg=-1.77!) USER MOD Single : A 91 GLN : amide:sc= -1.96 K(o=-2,f=-3.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-1) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.738 USER MOD Single : A 102 ASN : amide:sc= -3.56! C(o=-3.6!,f=-9.8!) USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.434) USER MOD Single : B 122 SER OG : rot 16:sc= -2.59! USER MOD Single : B 124 LYS NZ :NH3+ -112:sc= -0.365 (180deg=-0.859) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 0.478 -9.382 -8.518 1.00 0.00 N ATOM 2 CA THR A 18 0.312 -8.126 -7.792 1.00 0.00 C ATOM 3 C THR A 18 0.142 -6.959 -8.757 1.00 0.00 C ATOM 4 O THR A 18 0.336 -7.103 -9.963 1.00 0.00 O ATOM 5 CB THR A 18 1.511 -7.873 -6.876 1.00 0.00 C ATOM 6 OG1 THR A 18 2.612 -7.377 -7.616 1.00 0.00 O ATOM 7 CG2 THR A 18 1.975 -9.109 -6.138 1.00 0.00 C ATOM 0 HA THR A 18 -0.588 -8.207 -7.183 1.00 0.00 H new ATOM 0 HB THR A 18 1.164 -7.143 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.368 -7.220 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.828 -8.858 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.163 -9.488 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.269 -9.873 -6.857 1.00 0.00 H new ATOM 15 N VAL A 19 -0.223 -5.800 -8.217 1.00 0.00 N ATOM 16 CA VAL A 19 -0.417 -4.607 -9.030 1.00 0.00 C ATOM 17 C VAL A 19 0.521 -3.483 -8.589 1.00 0.00 C ATOM 18 O VAL A 19 0.402 -2.968 -7.478 1.00 0.00 O ATOM 19 CB VAL A 19 -1.873 -4.104 -8.952 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.097 -2.965 -9.938 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.848 -5.242 -9.211 1.00 0.00 C ATOM 0 H VAL A 19 -0.390 -5.663 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.191 -4.885 -10.059 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.054 -3.726 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.129 -2.622 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.425 -2.141 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.898 -3.316 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.870 -4.867 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.670 -5.654 -10.204 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.704 -6.022 -8.463 1.00 0.00 H new ATOM 31 N PRO A 20 1.471 -3.086 -9.456 1.00 0.00 N ATOM 32 CA PRO A 20 2.427 -2.018 -9.141 1.00 0.00 C ATOM 33 C PRO A 20 1.759 -0.651 -9.052 1.00 0.00 C ATOM 34 O PRO A 20 1.159 -0.179 -10.019 1.00 0.00 O ATOM 35 CB PRO A 20 3.411 -2.059 -10.311 1.00 0.00 C ATOM 36 CG PRO A 20 2.639 -2.660 -11.435 1.00 0.00 C ATOM 37 CD PRO A 20 1.691 -3.641 -10.805 1.00 0.00 C ATOM 0 HA PRO A 20 2.898 -2.168 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.766 -1.060 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.289 -2.658 -10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.097 -1.894 -11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.302 -3.157 -12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.759 -3.716 -11.366 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.119 -4.643 -10.763 1.00 0.00 H new ATOM 45 N GLY A 21 1.866 -0.019 -7.888 1.00 0.00 N ATOM 46 CA GLY A 21 1.268 1.290 -7.695 1.00 0.00 C ATOM 47 C GLY A 21 2.069 2.159 -6.746 1.00 0.00 C ATOM 48 O GLY A 21 2.649 1.664 -5.779 1.00 0.00 O ATOM 0 H GLY A 21 2.356 -0.390 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.182 1.793 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.256 1.170 -7.307 1.00 0.00 H new ATOM 52 N LYS A 22 2.103 3.459 -7.023 1.00 0.00 N ATOM 53 CA LYS A 22 2.839 4.399 -6.187 1.00 0.00 C ATOM 54 C LYS A 22 1.988 5.623 -5.866 1.00 0.00 C ATOM 55 O LYS A 22 1.354 6.200 -6.751 1.00 0.00 O ATOM 56 CB LYS A 22 4.132 4.829 -6.884 1.00 0.00 C ATOM 57 CG LYS A 22 3.903 5.480 -8.239 1.00 0.00 C ATOM 58 CD LYS A 22 5.193 6.050 -8.809 1.00 0.00 C ATOM 59 CE LYS A 22 5.766 5.155 -9.895 1.00 0.00 C ATOM 60 NZ LYS A 22 5.376 5.614 -11.257 1.00 0.00 N ATOM 0 H LYS A 22 1.629 3.885 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 22 3.088 3.898 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.668 5.527 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.773 3.957 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.491 4.746 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.164 6.276 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.004 7.043 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.924 6.167 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.853 5.138 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.419 4.133 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.787 4.977 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.340 5.606 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.729 6.580 -11.412 1.00 0.00 H new ATOM 74 N VAL A 23 1.979 6.017 -4.597 1.00 0.00 N ATOM 75 CA VAL A 23 1.207 7.172 -4.160 1.00 0.00 C ATOM 76 C VAL A 23 2.101 8.206 -3.482 1.00 0.00 C ATOM 77 O VAL A 23 3.003 7.857 -2.721 1.00 0.00 O ATOM 78 CB VAL A 23 0.081 6.760 -3.189 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.658 6.121 -1.936 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.787 7.960 -2.836 1.00 0.00 C ATOM 0 H VAL A 23 2.499 5.552 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 23 0.762 7.613 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.547 6.021 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.153 5.838 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.229 5.234 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.313 6.833 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.575 7.650 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.174 8.726 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.234 8.365 -3.744 1.00 0.00 H new ATOM 90 N THR A 24 1.843 9.480 -3.763 1.00 0.00 N ATOM 91 CA THR A 24 2.626 10.563 -3.181 1.00 0.00 C ATOM 92 C THR A 24 1.946 11.116 -1.932 1.00 0.00 C ATOM 93 O THR A 24 1.134 12.036 -2.012 1.00 0.00 O ATOM 94 CB THR A 24 2.826 11.684 -4.203 1.00 0.00 C ATOM 95 OG1 THR A 24 3.278 11.159 -5.439 1.00 0.00 O ATOM 96 CG2 THR A 24 3.823 12.731 -3.755 1.00 0.00 C ATOM 0 H THR A 24 1.099 9.786 -4.389 1.00 0.00 H new ATOM 0 HA THR A 24 3.599 10.161 -2.897 1.00 0.00 H new ATOM 0 HB THR A 24 1.850 12.158 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.399 11.890 -6.080 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.918 13.496 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.478 13.189 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.793 12.262 -3.588 1.00 0.00 H new ATOM 104 N LEU A 25 2.284 10.545 -0.780 1.00 0.00 N ATOM 105 CA LEU A 25 1.707 10.983 0.487 1.00 0.00 C ATOM 106 C LEU A 25 2.642 11.948 1.205 1.00 0.00 C ATOM 107 O LEU A 25 3.846 11.710 1.298 1.00 0.00 O ATOM 108 CB LEU A 25 1.416 9.777 1.382 1.00 0.00 C ATOM 109 CG LEU A 25 0.872 8.542 0.653 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.799 7.352 0.847 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.532 8.210 1.139 1.00 0.00 C ATOM 0 H LEU A 25 2.953 9.780 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 25 0.773 11.502 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.334 9.499 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.697 10.075 2.145 1.00 0.00 H new ATOM 0 HG LEU A 25 0.824 8.768 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.395 6.487 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.785 7.590 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.882 7.125 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.902 7.331 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.508 8.006 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.193 9.055 0.945 1.00 0.00 H new ATOM 123 N GLN A 26 2.081 13.042 1.710 1.00 0.00 N ATOM 124 CA GLN A 26 2.866 14.046 2.420 1.00 0.00 C ATOM 125 C GLN A 26 3.049 13.658 3.883 1.00 0.00 C ATOM 126 O GLN A 26 2.163 13.057 4.492 1.00 0.00 O ATOM 127 CB GLN A 26 2.188 15.414 2.324 1.00 0.00 C ATOM 128 CG GLN A 26 1.784 15.795 0.909 1.00 0.00 C ATOM 129 CD GLN A 26 2.027 17.261 0.608 1.00 0.00 C ATOM 130 OE1 GLN A 26 2.517 18.007 1.454 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.682 17.680 -0.604 1.00 0.00 N ATOM 0 H GLN A 26 1.086 13.256 1.641 1.00 0.00 H new ATOM 0 HA GLN A 26 3.849 14.101 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.302 15.416 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.864 16.174 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.342 15.185 0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.728 15.568 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.279 17.025 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.820 18.656 -0.865 1.00 0.00 H new ATOM 140 N LYS A 27 4.204 14.002 4.441 1.00 0.00 N ATOM 141 CA LYS A 27 4.504 13.689 5.834 1.00 0.00 C ATOM 142 C LYS A 27 3.573 14.445 6.776 1.00 0.00 C ATOM 143 O LYS A 27 3.010 15.476 6.413 1.00 0.00 O ATOM 144 CB LYS A 27 5.959 14.031 6.154 1.00 0.00 C ATOM 145 CG LYS A 27 6.939 12.927 5.787 1.00 0.00 C ATOM 146 CD LYS A 27 6.975 11.841 6.849 1.00 0.00 C ATOM 147 CE LYS A 27 7.835 10.665 6.414 1.00 0.00 C ATOM 148 NZ LYS A 27 7.955 9.639 7.486 1.00 0.00 N ATOM 0 H LYS A 27 4.948 14.498 3.951 1.00 0.00 H new ATOM 0 HA LYS A 27 4.349 12.620 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.235 14.942 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.047 14.245 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.656 12.491 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.936 13.350 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.365 12.253 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.961 11.496 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.404 10.210 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.828 11.023 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.857 9.131 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.925 10.104 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.167 8.964 7.411 1.00 0.00 H new ATOM 162 N ASP A 28 3.418 13.924 7.989 1.00 0.00 N ATOM 163 CA ASP A 28 2.557 14.549 8.984 1.00 0.00 C ATOM 164 C ASP A 28 3.333 15.573 9.806 1.00 0.00 C ATOM 165 O ASP A 28 4.463 15.929 9.468 1.00 0.00 O ATOM 166 CB ASP A 28 1.953 13.488 9.906 1.00 0.00 C ATOM 167 CG ASP A 28 0.504 13.776 10.248 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.184 14.419 9.427 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.057 13.357 11.337 1.00 0.00 O ATOM 0 H ASP A 28 3.878 13.070 8.306 1.00 0.00 H new ATOM 0 HA ASP A 28 1.752 15.064 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.023 12.512 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.537 13.434 10.825 1.00 0.00 H new ATOM 174 N ALA A 29 2.720 16.046 10.886 1.00 0.00 N ATOM 175 CA ALA A 29 3.356 17.028 11.756 1.00 0.00 C ATOM 176 C ALA A 29 4.528 16.416 12.515 1.00 0.00 C ATOM 177 O ALA A 29 5.490 17.106 12.854 1.00 0.00 O ATOM 178 CB ALA A 29 2.339 17.607 12.728 1.00 0.00 C ATOM 0 H ALA A 29 1.784 15.765 11.179 1.00 0.00 H new ATOM 0 HA ALA A 29 3.745 17.832 11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.827 18.339 13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.537 18.091 12.170 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.923 16.806 13.339 1.00 0.00 H new ATOM 184 N GLN A 30 4.440 15.117 12.780 1.00 0.00 N ATOM 185 CA GLN A 30 5.493 14.411 13.502 1.00 0.00 C ATOM 186 C GLN A 30 6.410 13.665 12.537 1.00 0.00 C ATOM 187 O GLN A 30 6.977 12.629 12.885 1.00 0.00 O ATOM 188 CB GLN A 30 4.884 13.430 14.504 1.00 0.00 C ATOM 189 CG GLN A 30 4.026 12.355 13.858 1.00 0.00 C ATOM 190 CD GLN A 30 2.795 12.021 14.678 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.873 11.293 15.667 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.650 12.552 14.268 1.00 0.00 N ATOM 0 H GLN A 30 3.651 14.532 12.506 1.00 0.00 H new ATOM 0 HA GLN A 30 6.086 15.150 14.041 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.687 12.953 15.067 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.278 13.985 15.221 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.718 12.688 12.867 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.622 11.453 13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.632 13.150 13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.788 12.362 14.779 1.00 0.00 H new ATOM 201 N ASN A 31 6.549 14.198 11.324 1.00 0.00 N ATOM 202 CA ASN A 31 7.397 13.589 10.300 1.00 0.00 C ATOM 203 C ASN A 31 7.191 12.075 10.235 1.00 0.00 C ATOM 204 O ASN A 31 8.154 11.309 10.188 1.00 0.00 O ATOM 205 CB ASN A 31 8.871 13.911 10.566 1.00 0.00 C ATOM 206 CG ASN A 31 9.383 13.290 11.849 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.164 13.817 12.940 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.072 12.161 11.727 1.00 0.00 N ATOM 0 H ASN A 31 6.083 15.055 11.025 1.00 0.00 H new ATOM 0 HA ASN A 31 7.110 14.010 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.473 13.555 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.999 14.992 10.614 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.442 11.697 12.557 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.231 11.758 10.804 1.00 0.00 H new ATOM 215 N LEU A 32 5.932 11.653 10.234 1.00 0.00 N ATOM 216 CA LEU A 32 5.599 10.234 10.175 1.00 0.00 C ATOM 217 C LEU A 32 4.282 10.015 9.438 1.00 0.00 C ATOM 218 O LEU A 32 3.208 10.297 9.968 1.00 0.00 O ATOM 219 CB LEU A 32 5.511 9.651 11.588 1.00 0.00 C ATOM 220 CG LEU A 32 6.836 9.594 12.349 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.587 9.391 13.835 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.717 8.482 11.798 1.00 0.00 C ATOM 0 H LEU A 32 5.124 12.274 10.273 1.00 0.00 H new ATOM 0 HA LEU A 32 6.390 9.722 9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.803 10.245 12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.103 8.642 11.524 1.00 0.00 H new ATOM 0 HG LEU A 32 7.354 10.543 12.214 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.540 9.353 14.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.992 10.219 14.221 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.049 8.455 13.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.656 8.455 12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.205 7.526 11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.921 8.668 10.744 1.00 0.00 H new ATOM 234 N ILE A 33 4.374 9.509 8.211 1.00 0.00 N ATOM 235 CA ILE A 33 3.188 9.251 7.401 1.00 0.00 C ATOM 236 C ILE A 33 2.212 8.330 8.128 1.00 0.00 C ATOM 237 O ILE A 33 1.002 8.401 7.914 1.00 0.00 O ATOM 238 CB ILE A 33 3.556 8.625 6.041 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.536 7.467 6.227 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.144 9.680 5.117 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.813 6.699 4.953 1.00 0.00 C ATOM 0 H ILE A 33 5.256 9.270 7.757 1.00 0.00 H new ATOM 0 HA ILE A 33 2.711 10.216 7.228 1.00 0.00 H new ATOM 0 HB ILE A 33 2.648 8.231 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.476 7.856 6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.138 6.782 6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.399 9.224 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.413 10.473 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.042 10.101 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.516 5.892 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.882 6.280 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.240 7.371 4.209 1.00 0.00 H new ATOM 253 N GLY A 34 2.745 7.472 8.991 1.00 0.00 N ATOM 254 CA GLY A 34 1.905 6.555 9.738 1.00 0.00 C ATOM 255 C GLY A 34 1.622 5.269 8.985 1.00 0.00 C ATOM 256 O GLY A 34 0.553 5.111 8.396 1.00 0.00 O ATOM 0 H GLY A 34 3.743 7.395 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.388 6.317 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.961 7.046 9.976 1.00 0.00 H new ATOM 260 N ILE A 35 2.581 4.350 9.008 1.00 0.00 N ATOM 261 CA ILE A 35 2.433 3.068 8.328 1.00 0.00 C ATOM 262 C ILE A 35 3.461 2.061 8.832 1.00 0.00 C ATOM 263 O ILE A 35 4.651 2.363 8.915 1.00 0.00 O ATOM 264 CB ILE A 35 2.579 3.210 6.800 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.727 4.162 6.457 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.276 3.699 6.184 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.584 3.686 5.304 1.00 0.00 C ATOM 0 H ILE A 35 3.471 4.469 9.491 1.00 0.00 H new ATOM 0 HA ILE A 35 1.428 2.710 8.553 1.00 0.00 H new ATOM 0 HB ILE A 35 2.810 2.230 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.315 5.141 6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.356 4.291 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.397 3.794 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.481 2.985 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.015 4.669 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.377 4.410 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.025 2.721 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.968 3.584 4.411 1.00 0.00 H new ATOM 279 N SER A 36 2.995 0.864 9.172 1.00 0.00 N ATOM 280 CA SER A 36 3.875 -0.187 9.671 1.00 0.00 C ATOM 281 C SER A 36 4.349 -1.086 8.535 1.00 0.00 C ATOM 282 O SER A 36 3.696 -1.192 7.497 1.00 0.00 O ATOM 283 CB SER A 36 3.156 -1.022 10.732 1.00 0.00 C ATOM 284 OG SER A 36 1.911 -1.497 10.249 1.00 0.00 O ATOM 0 H SER A 36 2.012 0.597 9.111 1.00 0.00 H new ATOM 0 HA SER A 36 4.747 0.288 10.121 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.783 -1.865 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.997 -0.420 11.627 1.00 0.00 H new ATOM 0 HG SER A 36 1.389 -0.746 9.897 1.00 0.00 H new ATOM 290 N ILE A 37 5.492 -1.736 8.741 1.00 0.00 N ATOM 291 CA ILE A 37 6.056 -2.628 7.736 1.00 0.00 C ATOM 292 C ILE A 37 6.585 -3.908 8.376 1.00 0.00 C ATOM 293 O ILE A 37 6.508 -4.083 9.591 1.00 0.00 O ATOM 294 CB ILE A 37 7.196 -1.948 6.955 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.172 -1.269 7.917 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.630 -0.940 5.966 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.610 -1.314 7.450 1.00 0.00 C ATOM 0 H ILE A 37 6.044 -1.660 9.595 1.00 0.00 H new ATOM 0 HA ILE A 37 5.251 -2.875 7.044 1.00 0.00 H new ATOM 0 HB ILE A 37 7.740 -2.711 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.874 -0.229 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.100 -1.749 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.447 -0.467 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.972 -1.450 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.065 -0.179 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.246 -0.814 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.926 -2.352 7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.696 -0.809 6.488 1.00 0.00 H new ATOM 309 N GLY A 38 7.124 -4.798 7.549 1.00 0.00 N ATOM 310 CA GLY A 38 7.657 -6.049 8.054 1.00 0.00 C ATOM 311 C GLY A 38 8.588 -6.724 7.065 1.00 0.00 C ATOM 312 O GLY A 38 8.200 -7.013 5.932 1.00 0.00 O ATOM 0 H GLY A 38 7.201 -4.675 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.193 -5.863 8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.833 -6.722 8.291 1.00 0.00 H new ATOM 316 N GLY A 39 9.821 -6.976 7.492 1.00 0.00 N ATOM 317 CA GLY A 39 10.790 -7.619 6.626 1.00 0.00 C ATOM 318 C GLY A 39 12.046 -8.034 7.367 1.00 0.00 C ATOM 319 O GLY A 39 12.245 -7.661 8.522 1.00 0.00 O ATOM 0 H GLY A 39 10.166 -6.746 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.336 -8.497 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.057 -6.939 5.817 1.00 0.00 H new ATOM 323 N GLY A 40 12.895 -8.809 6.698 1.00 0.00 N ATOM 324 CA GLY A 40 14.127 -9.264 7.316 1.00 0.00 C ATOM 325 C GLY A 40 15.346 -8.963 6.466 1.00 0.00 C ATOM 326 O GLY A 40 15.447 -7.890 5.871 1.00 0.00 O ATOM 0 H GLY A 40 12.752 -9.129 5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.240 -8.787 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.067 -10.338 7.492 1.00 0.00 H new ATOM 330 N ALA A 41 16.275 -9.911 6.409 1.00 0.00 N ATOM 331 CA ALA A 41 17.493 -9.743 5.624 1.00 0.00 C ATOM 332 C ALA A 41 18.227 -11.070 5.458 1.00 0.00 C ATOM 333 O ALA A 41 18.153 -11.944 6.322 1.00 0.00 O ATOM 334 CB ALA A 41 18.403 -8.714 6.278 1.00 0.00 C ATOM 0 H ALA A 41 16.208 -10.804 6.897 1.00 0.00 H new ATOM 0 HA ALA A 41 17.211 -9.387 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 41 19.308 -8.598 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.885 -7.757 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.669 -9.049 7.281 1.00 0.00 H new ATOM 340 N GLN A 42 18.931 -11.215 4.341 1.00 0.00 N ATOM 341 CA GLN A 42 19.677 -12.436 4.060 1.00 0.00 C ATOM 342 C GLN A 42 18.750 -13.649 4.034 1.00 0.00 C ATOM 343 O GLN A 42 19.181 -14.777 4.273 1.00 0.00 O ATOM 344 CB GLN A 42 20.774 -12.640 5.107 1.00 0.00 C ATOM 345 CG GLN A 42 22.107 -13.075 4.517 1.00 0.00 C ATOM 346 CD GLN A 42 23.290 -12.449 5.225 1.00 0.00 C ATOM 347 OE1 GLN A 42 23.170 -11.393 5.847 1.00 0.00 O ATOM 348 NE2 GLN A 42 24.446 -13.099 5.135 1.00 0.00 N ATOM 0 H GLN A 42 19.001 -10.502 3.615 1.00 0.00 H new ATOM 0 HA GLN A 42 20.136 -12.333 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 42 20.916 -11.710 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.443 -13.389 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.188 -14.161 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 42 22.137 -12.807 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.501 -13.971 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 42 25.278 -12.725 5.592 1.00 0.00 H new ATOM 357 N TYR A 43 17.475 -13.408 3.741 1.00 0.00 N ATOM 358 CA TYR A 43 16.487 -14.480 3.684 1.00 0.00 C ATOM 359 C TYR A 43 15.106 -13.924 3.348 1.00 0.00 C ATOM 360 O TYR A 43 14.403 -14.456 2.488 1.00 0.00 O ATOM 361 CB TYR A 43 16.436 -15.231 5.016 1.00 0.00 C ATOM 362 CG TYR A 43 16.336 -16.732 4.862 1.00 0.00 C ATOM 363 CD1 TYR A 43 17.313 -17.447 4.179 1.00 0.00 C ATOM 364 CD2 TYR A 43 15.265 -17.436 5.400 1.00 0.00 C ATOM 365 CE1 TYR A 43 17.225 -18.819 4.038 1.00 0.00 C ATOM 366 CE2 TYR A 43 15.170 -18.808 5.262 1.00 0.00 C ATOM 367 CZ TYR A 43 16.152 -19.494 4.580 1.00 0.00 C ATOM 368 OH TYR A 43 16.061 -20.860 4.441 1.00 0.00 O ATOM 0 H TYR A 43 17.102 -12.480 3.540 1.00 0.00 H new ATOM 0 HA TYR A 43 16.785 -15.174 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.330 -14.992 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.581 -14.876 5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 43 18.154 -16.922 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.494 -16.902 5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 17.993 -19.360 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.331 -19.340 5.686 1.00 0.00 H new ATOM 0 HH TYR A 43 15.246 -21.180 4.881 1.00 0.00 H new ATOM 378 N CYS A 44 14.726 -12.849 4.033 1.00 0.00 N ATOM 379 CA CYS A 44 13.430 -12.216 3.809 1.00 0.00 C ATOM 380 C CYS A 44 13.594 -10.721 3.546 1.00 0.00 C ATOM 381 O CYS A 44 13.073 -9.889 4.291 1.00 0.00 O ATOM 382 CB CYS A 44 12.515 -12.441 5.015 1.00 0.00 C ATOM 383 SG CYS A 44 11.491 -13.926 4.899 1.00 0.00 S ATOM 0 H CYS A 44 15.297 -12.398 4.748 1.00 0.00 H new ATOM 0 HA CYS A 44 12.975 -12.672 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.127 -12.504 5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.866 -11.573 5.132 1.00 0.00 H new ATOM 0 HG CYS A 44 10.755 -14.030 5.966 1.00 0.00 H new ATOM 389 N PRO A 45 14.325 -10.357 2.478 1.00 0.00 N ATOM 390 CA PRO A 45 14.558 -8.954 2.120 1.00 0.00 C ATOM 391 C PRO A 45 13.310 -8.274 1.561 1.00 0.00 C ATOM 392 O PRO A 45 13.305 -7.063 1.335 1.00 0.00 O ATOM 393 CB PRO A 45 15.644 -9.040 1.046 1.00 0.00 C ATOM 394 CG PRO A 45 15.461 -10.384 0.432 1.00 0.00 C ATOM 395 CD PRO A 45 14.984 -11.285 1.537 1.00 0.00 C ATOM 0 HA PRO A 45 14.838 -8.356 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.533 -8.248 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.639 -8.934 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.735 -10.346 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.396 -10.749 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.291 -12.041 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.812 -11.814 2.009 1.00 0.00 H new ATOM 403 N CYS A 46 12.256 -9.053 1.338 1.00 0.00 N ATOM 404 CA CYS A 46 11.009 -8.516 0.804 1.00 0.00 C ATOM 405 C CYS A 46 10.230 -7.768 1.883 1.00 0.00 C ATOM 406 O CYS A 46 9.560 -8.381 2.715 1.00 0.00 O ATOM 407 CB CYS A 46 10.149 -9.641 0.227 1.00 0.00 C ATOM 408 SG CYS A 46 10.457 -9.982 -1.521 1.00 0.00 S ATOM 0 H CYS A 46 12.240 -10.057 1.518 1.00 0.00 H new ATOM 0 HA CYS A 46 11.258 -7.814 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.327 -10.551 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.098 -9.383 0.356 1.00 0.00 H new ATOM 0 HG CYS A 46 9.684 -10.950 -1.917 1.00 0.00 H new ATOM 414 N LEU A 47 10.322 -6.442 1.861 1.00 0.00 N ATOM 415 CA LEU A 47 9.623 -5.612 2.837 1.00 0.00 C ATOM 416 C LEU A 47 8.179 -5.370 2.408 1.00 0.00 C ATOM 417 O LEU A 47 7.908 -5.072 1.245 1.00 0.00 O ATOM 418 CB LEU A 47 10.346 -4.275 3.012 1.00 0.00 C ATOM 419 CG LEU A 47 11.427 -4.259 4.094 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.810 -4.446 5.471 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.466 -5.337 3.822 1.00 0.00 C ATOM 0 H LEU A 47 10.873 -5.920 1.180 1.00 0.00 H new ATOM 0 HA LEU A 47 9.617 -6.141 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.801 -3.999 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.608 -3.508 3.247 1.00 0.00 H new ATOM 0 HG LEU A 47 11.922 -3.288 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.595 -4.432 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.104 -3.639 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.288 -5.402 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.228 -5.312 4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.984 -6.314 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.932 -5.157 2.853 1.00 0.00 H new ATOM 433 N TYR A 48 7.256 -5.501 3.355 1.00 0.00 N ATOM 434 CA TYR A 48 5.840 -5.296 3.074 1.00 0.00 C ATOM 435 C TYR A 48 5.175 -4.482 4.179 1.00 0.00 C ATOM 436 O TYR A 48 5.767 -4.249 5.233 1.00 0.00 O ATOM 437 CB TYR A 48 5.128 -6.642 2.918 1.00 0.00 C ATOM 438 CG TYR A 48 5.519 -7.660 3.967 1.00 0.00 C ATOM 439 CD1 TYR A 48 5.280 -7.425 5.314 1.00 0.00 C ATOM 440 CD2 TYR A 48 6.127 -8.857 3.607 1.00 0.00 C ATOM 441 CE1 TYR A 48 5.635 -8.352 6.275 1.00 0.00 C ATOM 442 CE2 TYR A 48 6.486 -9.789 4.562 1.00 0.00 C ATOM 443 CZ TYR A 48 6.238 -9.532 5.893 1.00 0.00 C ATOM 444 OH TYR A 48 6.593 -10.458 6.848 1.00 0.00 O ATOM 0 H TYR A 48 7.463 -5.748 4.323 1.00 0.00 H new ATOM 0 HA TYR A 48 5.760 -4.739 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.051 -6.481 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.348 -7.048 1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.808 -6.502 5.616 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.322 -9.062 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.441 -8.154 7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.959 -10.714 4.267 1.00 0.00 H new ATOM 0 HH TYR A 48 7.005 -11.234 6.414 1.00 0.00 H new ATOM 454 N ILE A 49 3.943 -4.053 3.931 1.00 0.00 N ATOM 455 CA ILE A 49 3.197 -3.267 4.905 1.00 0.00 C ATOM 456 C ILE A 49 2.349 -4.162 5.801 1.00 0.00 C ATOM 457 O ILE A 49 1.814 -5.176 5.353 1.00 0.00 O ATOM 458 CB ILE A 49 2.281 -2.237 4.214 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.025 -1.537 3.075 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.772 -1.219 5.224 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.127 -0.698 2.192 1.00 0.00 C ATOM 0 H ILE A 49 3.440 -4.237 3.063 1.00 0.00 H new ATOM 0 HA ILE A 49 3.932 -2.739 5.513 1.00 0.00 H new ATOM 0 HB ILE A 49 1.425 -2.763 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.803 -0.901 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.524 -2.288 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.127 -0.499 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.207 -1.731 6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.617 -0.697 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.722 -0.232 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.364 -1.333 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.647 0.076 2.791 1.00 0.00 H new ATOM 473 N VAL A 50 2.236 -3.786 7.071 1.00 0.00 N ATOM 474 CA VAL A 50 1.455 -4.560 8.029 1.00 0.00 C ATOM 475 C VAL A 50 0.077 -3.945 8.245 1.00 0.00 C ATOM 476 O VAL A 50 -0.944 -4.604 8.052 1.00 0.00 O ATOM 477 CB VAL A 50 2.176 -4.663 9.386 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.450 -5.636 10.304 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.624 -5.081 9.188 1.00 0.00 C ATOM 0 H VAL A 50 2.675 -2.951 7.460 1.00 0.00 H new ATOM 0 HA VAL A 50 1.340 -5.559 7.608 1.00 0.00 H new ATOM 0 HB VAL A 50 2.167 -3.681 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.974 -5.696 11.258 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.431 -5.287 10.471 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.425 -6.623 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.119 -5.149 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.658 -6.052 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.135 -4.342 8.571 1.00 0.00 H new ATOM 489 N GLN A 51 0.055 -2.679 8.648 1.00 0.00 N ATOM 490 CA GLN A 51 -1.200 -1.978 8.892 1.00 0.00 C ATOM 491 C GLN A 51 -0.981 -0.470 8.960 1.00 0.00 C ATOM 492 O GLN A 51 0.145 0.012 8.826 1.00 0.00 O ATOM 493 CB GLN A 51 -1.838 -2.469 10.193 1.00 0.00 C ATOM 494 CG GLN A 51 -0.942 -2.306 11.410 1.00 0.00 C ATOM 495 CD GLN A 51 -1.481 -3.023 12.632 1.00 0.00 C ATOM 496 OE1 GLN A 51 -1.388 -4.245 12.740 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.047 -2.263 13.561 1.00 0.00 N ATOM 0 H GLN A 51 0.891 -2.118 8.812 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.871 -2.192 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.767 -1.924 10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.101 -3.521 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.052 -2.688 11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.831 -1.245 11.635 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.102 -1.253 13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.427 -2.689 14.407 1.00 0.00 H new ATOM 506 N VAL A 52 -2.065 0.271 9.173 1.00 0.00 N ATOM 507 CA VAL A 52 -1.994 1.725 9.263 1.00 0.00 C ATOM 508 C VAL A 52 -2.521 2.213 10.605 1.00 0.00 C ATOM 509 O VAL A 52 -3.198 1.478 11.323 1.00 0.00 O ATOM 510 CB VAL A 52 -2.800 2.404 8.137 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.369 3.853 7.969 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.652 1.643 6.828 1.00 0.00 C ATOM 0 H VAL A 52 -3.003 -0.113 9.286 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.943 1.995 9.160 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.853 2.390 8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.949 4.315 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.539 4.394 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.309 3.890 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.230 2.142 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.601 1.617 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.019 0.625 6.956 1.00 0.00 H new ATOM 522 N PHE A 53 -2.213 3.462 10.935 1.00 0.00 N ATOM 523 CA PHE A 53 -2.661 4.054 12.189 1.00 0.00 C ATOM 524 C PHE A 53 -3.703 5.136 11.929 1.00 0.00 C ATOM 525 O PHE A 53 -3.736 5.737 10.857 1.00 0.00 O ATOM 526 CB PHE A 53 -1.474 4.641 12.955 1.00 0.00 C ATOM 527 CG PHE A 53 -0.867 3.683 13.941 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.618 3.186 14.994 1.00 0.00 C ATOM 529 CD2 PHE A 53 0.452 3.281 13.814 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.065 2.303 15.901 1.00 0.00 C ATOM 531 CE2 PHE A 53 1.011 2.397 14.720 1.00 0.00 C ATOM 532 CZ PHE A 53 0.252 1.909 15.765 1.00 0.00 C ATOM 0 H PHE A 53 -1.654 4.084 10.351 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.117 3.270 12.794 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.709 4.951 12.243 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.799 5.537 13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.647 3.492 15.107 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.051 3.661 12.999 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.662 1.921 16.716 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.040 2.089 14.610 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.687 1.221 16.475 1.00 0.00 H new ATOM 542 N ASP A 54 -4.558 5.375 12.916 1.00 0.00 N ATOM 543 CA ASP A 54 -5.606 6.381 12.792 1.00 0.00 C ATOM 544 C ASP A 54 -5.024 7.790 12.850 1.00 0.00 C ATOM 545 O ASP A 54 -3.977 8.016 13.455 1.00 0.00 O ATOM 546 CB ASP A 54 -6.649 6.201 13.897 1.00 0.00 C ATOM 547 CG ASP A 54 -7.990 6.804 13.530 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.706 6.201 12.701 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.326 7.878 14.070 1.00 0.00 O ATOM 0 H ASP A 54 -4.546 4.886 13.811 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.086 6.248 11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.776 5.138 14.103 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.285 6.663 14.815 1.00 0.00 H new ATOM 554 N ASN A 55 -5.719 8.732 12.221 1.00 0.00 N ATOM 555 CA ASN A 55 -5.285 10.125 12.198 1.00 0.00 C ATOM 556 C ASN A 55 -3.960 10.287 11.456 1.00 0.00 C ATOM 557 O ASN A 55 -3.220 11.242 11.696 1.00 0.00 O ATOM 558 CB ASN A 55 -5.150 10.665 13.623 1.00 0.00 C ATOM 559 CG ASN A 55 -6.451 10.580 14.399 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.294 11.473 14.321 1.00 0.00 O ATOM 561 ND2 ASN A 55 -6.619 9.501 15.155 1.00 0.00 N ATOM 0 H ASN A 55 -6.589 8.555 11.718 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.045 10.697 11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.378 10.104 14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.819 11.703 13.586 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.473 9.389 15.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.894 8.785 15.190 1.00 0.00 H new ATOM 568 N THR A 56 -3.668 9.360 10.550 1.00 0.00 N ATOM 569 CA THR A 56 -2.434 9.418 9.774 1.00 0.00 C ATOM 570 C THR A 56 -2.730 9.746 8.313 1.00 0.00 C ATOM 571 O THR A 56 -3.767 9.354 7.781 1.00 0.00 O ATOM 572 CB THR A 56 -1.680 8.090 9.865 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.415 7.051 9.243 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.393 7.661 11.288 1.00 0.00 C ATOM 0 H THR A 56 -4.266 8.562 10.335 1.00 0.00 H new ATOM 0 HA THR A 56 -1.810 10.208 10.191 1.00 0.00 H new ATOM 0 HB THR A 56 -0.732 8.262 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.561 6.324 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.857 6.712 11.281 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.784 8.419 11.781 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.332 7.543 11.829 1.00 0.00 H new ATOM 582 N PRO A 57 -1.820 10.470 7.642 1.00 0.00 N ATOM 583 CA PRO A 57 -1.993 10.845 6.235 1.00 0.00 C ATOM 584 C PRO A 57 -2.174 9.627 5.336 1.00 0.00 C ATOM 585 O PRO A 57 -2.861 9.691 4.317 1.00 0.00 O ATOM 586 CB PRO A 57 -0.693 11.584 5.887 1.00 0.00 C ATOM 587 CG PRO A 57 0.272 11.213 6.961 1.00 0.00 C ATOM 588 CD PRO A 57 -0.553 10.976 8.191 1.00 0.00 C ATOM 0 HA PRO A 57 -2.887 11.451 6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.323 11.287 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.850 12.662 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.834 10.319 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.999 12.009 7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.085 10.253 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.698 11.892 8.764 1.00 0.00 H new ATOM 596 N ALA A 58 -1.556 8.517 5.725 1.00 0.00 N ATOM 597 CA ALA A 58 -1.650 7.281 4.957 1.00 0.00 C ATOM 598 C ALA A 58 -3.035 6.660 5.092 1.00 0.00 C ATOM 599 O ALA A 58 -3.529 6.012 4.169 1.00 0.00 O ATOM 600 CB ALA A 58 -0.582 6.297 5.411 1.00 0.00 C ATOM 0 H ALA A 58 -0.985 8.448 6.567 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.486 7.519 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.663 5.378 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.404 6.736 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.721 6.071 6.468 1.00 0.00 H new ATOM 606 N ALA A 59 -3.658 6.863 6.247 1.00 0.00 N ATOM 607 CA ALA A 59 -4.989 6.326 6.505 1.00 0.00 C ATOM 608 C ALA A 59 -6.070 7.257 5.969 1.00 0.00 C ATOM 609 O ALA A 59 -6.963 6.834 5.237 1.00 0.00 O ATOM 610 CB ALA A 59 -5.183 6.091 7.995 1.00 0.00 C ATOM 0 H ALA A 59 -3.262 7.396 7.021 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.077 5.373 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.181 5.690 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.437 5.380 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.070 7.034 8.530 1.00 0.00 H new ATOM 616 N LEU A 60 -5.980 8.530 6.342 1.00 0.00 N ATOM 617 CA LEU A 60 -6.950 9.528 5.901 1.00 0.00 C ATOM 618 C LEU A 60 -7.002 9.599 4.378 1.00 0.00 C ATOM 619 O LEU A 60 -8.069 9.790 3.792 1.00 0.00 O ATOM 620 CB LEU A 60 -6.596 10.901 6.474 1.00 0.00 C ATOM 621 CG LEU A 60 -6.493 10.961 7.999 1.00 0.00 C ATOM 622 CD1 LEU A 60 -6.129 12.366 8.453 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.800 10.514 8.639 1.00 0.00 C ATOM 0 H LEU A 60 -5.246 8.895 6.948 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.933 9.231 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.645 11.221 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.349 11.619 6.148 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.703 10.281 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.060 12.391 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.169 12.650 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.897 13.066 8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.709 10.563 9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.608 11.169 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.020 9.489 8.339 1.00 0.00 H new ATOM 635 N ASP A 61 -5.846 9.443 3.740 1.00 0.00 N ATOM 636 CA ASP A 61 -5.762 9.490 2.286 1.00 0.00 C ATOM 637 C ASP A 61 -6.415 8.260 1.663 1.00 0.00 C ATOM 638 O ASP A 61 -7.122 8.362 0.661 1.00 0.00 O ATOM 639 CB ASP A 61 -4.301 9.587 1.842 1.00 0.00 C ATOM 640 CG ASP A 61 -3.724 10.973 2.053 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.131 11.644 3.024 1.00 0.00 O ATOM 642 OD2 ASP A 61 -2.865 11.387 1.246 1.00 0.00 O ATOM 0 H ASP A 61 -4.954 9.283 4.209 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.298 10.375 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.707 8.861 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.226 9.322 0.787 1.00 0.00 H new ATOM 647 N GLY A 62 -6.172 7.099 2.263 1.00 0.00 N ATOM 648 CA GLY A 62 -6.744 5.867 1.752 1.00 0.00 C ATOM 649 C GLY A 62 -6.034 5.370 0.508 1.00 0.00 C ATOM 650 O GLY A 62 -6.588 5.417 -0.590 1.00 0.00 O ATOM 0 H GLY A 62 -5.590 6.989 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.696 5.100 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.798 6.026 1.526 1.00 0.00 H new ATOM 654 N THR A 63 -4.806 4.894 0.681 1.00 0.00 N ATOM 655 CA THR A 63 -4.017 4.386 -0.436 1.00 0.00 C ATOM 656 C THR A 63 -3.097 3.258 0.017 1.00 0.00 C ATOM 657 O THR A 63 -3.227 2.120 -0.432 1.00 0.00 O ATOM 658 CB THR A 63 -3.193 5.513 -1.061 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.769 6.775 -0.773 1.00 0.00 O ATOM 660 CG2 THR A 63 -3.065 5.400 -2.564 1.00 0.00 C ATOM 0 H THR A 63 -4.335 4.849 1.585 1.00 0.00 H new ATOM 0 HA THR A 63 -4.705 3.991 -1.184 1.00 0.00 H new ATOM 0 HB THR A 63 -2.200 5.422 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.710 7.350 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.469 6.231 -2.942 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.578 4.459 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.056 5.429 -3.017 1.00 0.00 H new ATOM 668 N VAL A 64 -2.166 3.584 0.908 1.00 0.00 N ATOM 669 CA VAL A 64 -1.223 2.599 1.423 1.00 0.00 C ATOM 670 C VAL A 64 -1.699 2.026 2.753 1.00 0.00 C ATOM 671 O VAL A 64 -2.102 2.766 3.649 1.00 0.00 O ATOM 672 CB VAL A 64 0.178 3.208 1.612 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.840 3.454 0.264 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.096 4.495 2.417 1.00 0.00 C ATOM 0 H VAL A 64 -2.045 4.523 1.288 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.167 1.799 0.685 1.00 0.00 H new ATOM 0 HB VAL A 64 0.791 2.498 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.829 3.885 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.935 2.510 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.231 4.144 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.096 4.911 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.534 5.213 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.333 4.285 3.397 1.00 0.00 H new ATOM 684 N ALA A 65 -1.651 0.704 2.873 1.00 0.00 N ATOM 685 CA ALA A 65 -2.078 0.031 4.095 1.00 0.00 C ATOM 686 C ALA A 65 -1.762 -1.461 4.041 1.00 0.00 C ATOM 687 O ALA A 65 -1.014 -1.915 3.174 1.00 0.00 O ATOM 688 CB ALA A 65 -3.566 0.252 4.324 1.00 0.00 C ATOM 0 H ALA A 65 -1.321 0.077 2.139 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.525 0.460 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.873 -0.255 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.765 1.320 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.128 -0.150 3.481 1.00 0.00 H new ATOM 694 N ALA A 66 -2.337 -2.216 4.970 1.00 0.00 N ATOM 695 CA ALA A 66 -2.118 -3.657 5.030 1.00 0.00 C ATOM 696 C ALA A 66 -2.503 -4.328 3.716 1.00 0.00 C ATOM 697 O ALA A 66 -3.447 -3.909 3.046 1.00 0.00 O ATOM 698 CB ALA A 66 -2.907 -4.261 6.181 1.00 0.00 C ATOM 0 H ALA A 66 -2.959 -1.854 5.693 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.055 -3.831 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.735 -5.337 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.583 -3.812 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.970 -4.068 6.035 1.00 0.00 H new ATOM 704 N GLY A 67 -1.765 -5.372 3.351 1.00 0.00 N ATOM 705 CA GLY A 67 -2.045 -6.085 2.118 1.00 0.00 C ATOM 706 C GLY A 67 -1.176 -5.617 0.968 1.00 0.00 C ATOM 707 O GLY A 67 -0.820 -6.402 0.091 1.00 0.00 O ATOM 0 H GLY A 67 -0.978 -5.737 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.890 -7.152 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.094 -5.951 1.855 1.00 0.00 H new ATOM 711 N ASP A 68 -0.834 -4.332 0.971 1.00 0.00 N ATOM 712 CA ASP A 68 -0.001 -3.760 -0.081 1.00 0.00 C ATOM 713 C ASP A 68 1.479 -3.906 0.260 1.00 0.00 C ATOM 714 O ASP A 68 1.924 -3.494 1.331 1.00 0.00 O ATOM 715 CB ASP A 68 -0.345 -2.283 -0.287 1.00 0.00 C ATOM 716 CG ASP A 68 -1.840 -2.045 -0.374 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.490 -1.957 0.689 1.00 0.00 O ATOM 718 OD2 ASP A 68 -2.362 -1.946 -1.505 1.00 0.00 O ATOM 0 H ASP A 68 -1.121 -3.668 1.690 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.200 -4.304 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.066 -1.699 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.131 -1.926 -1.200 1.00 0.00 H new ATOM 723 N GLU A 69 2.237 -4.495 -0.660 1.00 0.00 N ATOM 724 CA GLU A 69 3.666 -4.697 -0.456 1.00 0.00 C ATOM 725 C GLU A 69 4.466 -3.520 -1.007 1.00 0.00 C ATOM 726 O GLU A 69 4.392 -3.208 -2.196 1.00 0.00 O ATOM 727 CB GLU A 69 4.119 -5.995 -1.128 1.00 0.00 C ATOM 728 CG GLU A 69 5.595 -6.299 -0.933 1.00 0.00 C ATOM 729 CD GLU A 69 5.998 -7.636 -1.520 1.00 0.00 C ATOM 730 OE1 GLU A 69 6.322 -7.683 -2.725 1.00 0.00 O ATOM 731 OE2 GLU A 69 5.988 -8.639 -0.776 1.00 0.00 O ATOM 0 H GLU A 69 1.885 -4.840 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 69 3.849 -4.767 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.531 -6.823 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.907 -5.935 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.189 -5.510 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.826 -6.290 0.132 1.00 0.00 H new ATOM 738 N ILE A 70 5.231 -2.872 -0.135 1.00 0.00 N ATOM 739 CA ILE A 70 6.046 -1.731 -0.534 1.00 0.00 C ATOM 740 C ILE A 70 7.300 -2.185 -1.275 1.00 0.00 C ATOM 741 O ILE A 70 7.908 -3.196 -0.924 1.00 0.00 O ATOM 742 CB ILE A 70 6.455 -0.881 0.689 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.257 0.346 0.247 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.254 -1.719 1.677 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.680 1.237 1.394 1.00 0.00 C ATOM 0 H ILE A 70 5.304 -3.118 0.852 1.00 0.00 H new ATOM 0 HA ILE A 70 5.438 -1.121 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 70 5.549 -0.535 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.145 0.015 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.658 0.928 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.534 -1.104 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.647 -2.558 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.154 -2.095 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.244 2.086 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.796 1.598 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.306 0.670 2.083 1.00 0.00 H new ATOM 757 N THR A 71 7.680 -1.431 -2.300 1.00 0.00 N ATOM 758 CA THR A 71 8.862 -1.756 -3.093 1.00 0.00 C ATOM 759 C THR A 71 9.501 -0.496 -3.663 1.00 0.00 C ATOM 760 O THR A 71 10.127 -0.530 -4.723 1.00 0.00 O ATOM 761 CB THR A 71 8.488 -2.711 -4.230 1.00 0.00 C ATOM 762 OG1 THR A 71 9.589 -2.913 -5.100 1.00 0.00 O ATOM 763 CG2 THR A 71 7.328 -2.217 -5.067 1.00 0.00 C ATOM 0 H THR A 71 7.188 -0.590 -2.602 1.00 0.00 H new ATOM 0 HA THR A 71 9.586 -2.242 -2.439 1.00 0.00 H new ATOM 0 HB THR A 71 8.195 -3.641 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.943 -2.045 -5.386 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.114 -2.939 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.448 -2.098 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.585 -1.257 -5.515 1.00 0.00 H new ATOM 771 N GLY A 72 9.342 0.619 -2.956 1.00 0.00 N ATOM 772 CA GLY A 72 9.913 1.871 -3.413 1.00 0.00 C ATOM 773 C GLY A 72 9.536 3.041 -2.526 1.00 0.00 C ATOM 774 O GLY A 72 8.513 3.007 -1.842 1.00 0.00 O ATOM 0 H GLY A 72 8.829 0.677 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.999 1.780 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.578 2.069 -4.431 1.00 0.00 H new ATOM 778 N VAL A 73 10.368 4.077 -2.536 1.00 0.00 N ATOM 779 CA VAL A 73 10.120 5.265 -1.728 1.00 0.00 C ATOM 780 C VAL A 73 10.770 6.496 -2.350 1.00 0.00 C ATOM 781 O VAL A 73 11.993 6.578 -2.456 1.00 0.00 O ATOM 782 CB VAL A 73 10.653 5.088 -0.293 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.256 6.270 0.578 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.150 3.783 0.306 1.00 0.00 C ATOM 0 H VAL A 73 11.220 4.118 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 73 9.040 5.405 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 73 11.742 5.048 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.642 6.125 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.671 7.186 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.169 6.347 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.536 3.675 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.060 3.791 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.492 2.947 -0.304 1.00 0.00 H new ATOM 794 N ASN A 74 9.942 7.453 -2.759 1.00 0.00 N ATOM 795 CA ASN A 74 10.435 8.682 -3.371 1.00 0.00 C ATOM 796 C ASN A 74 11.276 8.379 -4.608 1.00 0.00 C ATOM 797 O ASN A 74 12.166 9.150 -4.969 1.00 0.00 O ATOM 798 CB ASN A 74 11.265 9.479 -2.361 1.00 0.00 C ATOM 799 CG ASN A 74 10.441 9.950 -1.179 1.00 0.00 C ATOM 800 OD1 ASN A 74 9.561 10.799 -1.320 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.723 9.399 -0.004 1.00 0.00 N ATOM 0 H ASN A 74 8.927 7.401 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 74 9.574 9.276 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.088 8.861 -2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.707 10.342 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.201 9.676 0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.461 8.699 0.067 1.00 0.00 H new ATOM 808 N GLY A 75 10.986 7.254 -5.255 1.00 0.00 N ATOM 809 CA GLY A 75 11.725 6.873 -6.445 1.00 0.00 C ATOM 810 C GLY A 75 12.800 5.844 -6.157 1.00 0.00 C ATOM 811 O GLY A 75 13.156 5.049 -7.026 1.00 0.00 O ATOM 0 H GLY A 75 10.254 6.601 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.033 6.473 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.183 7.759 -6.883 1.00 0.00 H new ATOM 815 N ARG A 76 13.319 5.860 -4.933 1.00 0.00 N ATOM 816 CA ARG A 76 14.361 4.923 -4.532 1.00 0.00 C ATOM 817 C ARG A 76 13.806 3.506 -4.420 1.00 0.00 C ATOM 818 O ARG A 76 12.592 3.304 -4.392 1.00 0.00 O ATOM 819 CB ARG A 76 14.975 5.349 -3.197 1.00 0.00 C ATOM 820 CG ARG A 76 16.298 6.084 -3.344 1.00 0.00 C ATOM 821 CD ARG A 76 17.346 5.549 -2.381 1.00 0.00 C ATOM 822 NE ARG A 76 18.673 6.094 -2.654 1.00 0.00 N ATOM 823 CZ ARG A 76 19.070 7.306 -2.271 1.00 0.00 C ATOM 824 NH1 ARG A 76 18.247 8.100 -1.598 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.295 7.723 -2.560 1.00 0.00 N ATOM 0 H ARG A 76 13.034 6.512 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 76 15.135 4.931 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.269 5.991 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.127 4.465 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.659 5.984 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.146 7.148 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.057 5.794 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.380 4.462 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 76 19.335 5.512 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.304 7.783 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.557 9.027 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.932 7.116 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.600 8.651 -2.267 1.00 0.00 H new ATOM 839 N SER A 77 14.702 2.527 -4.355 1.00 0.00 N ATOM 840 CA SER A 77 14.303 1.129 -4.245 1.00 0.00 C ATOM 841 C SER A 77 14.531 0.610 -2.829 1.00 0.00 C ATOM 842 O SER A 77 15.560 0.890 -2.213 1.00 0.00 O ATOM 843 CB SER A 77 15.082 0.275 -5.247 1.00 0.00 C ATOM 844 OG SER A 77 15.397 1.014 -6.414 1.00 0.00 O ATOM 0 H SER A 77 15.711 2.676 -4.377 1.00 0.00 H new ATOM 0 HA SER A 77 13.239 1.060 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.000 -0.087 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.493 -0.602 -5.516 1.00 0.00 H new ATOM 0 HG SER A 77 15.896 0.445 -7.037 1.00 0.00 H new ATOM 850 N ILE A 78 13.564 -0.146 -2.319 1.00 0.00 N ATOM 851 CA ILE A 78 13.657 -0.701 -0.973 1.00 0.00 C ATOM 852 C ILE A 78 13.771 -2.224 -1.003 1.00 0.00 C ATOM 853 O ILE A 78 14.168 -2.841 -0.016 1.00 0.00 O ATOM 854 CB ILE A 78 12.440 -0.306 -0.117 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.145 -0.802 -0.767 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.399 1.202 0.081 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.463 -1.905 0.013 1.00 0.00 C ATOM 0 H ILE A 78 12.707 -0.388 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 78 14.560 -0.284 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 78 12.534 -0.778 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.457 0.036 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.367 -1.162 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.533 1.466 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.309 1.528 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.326 1.694 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.553 -2.208 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.134 -2.760 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.210 -1.543 1.010 1.00 0.00 H new ATOM 869 N LYS A 79 13.417 -2.825 -2.137 1.00 0.00 N ATOM 870 CA LYS A 79 13.480 -4.275 -2.285 1.00 0.00 C ATOM 871 C LYS A 79 14.909 -4.779 -2.107 1.00 0.00 C ATOM 872 O LYS A 79 15.635 -4.978 -3.081 1.00 0.00 O ATOM 873 CB LYS A 79 12.946 -4.690 -3.658 1.00 0.00 C ATOM 874 CG LYS A 79 11.510 -5.185 -3.623 1.00 0.00 C ATOM 875 CD LYS A 79 11.033 -5.612 -5.002 1.00 0.00 C ATOM 876 CE LYS A 79 9.674 -6.289 -4.938 1.00 0.00 C ATOM 877 NZ LYS A 79 8.799 -5.891 -6.074 1.00 0.00 N ATOM 0 H LYS A 79 13.084 -2.330 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 79 12.858 -4.723 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.013 -3.840 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.583 -5.475 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.431 -6.025 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.862 -4.397 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.976 -4.740 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.759 -6.294 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.807 -7.371 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.186 -6.034 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.841 -6.265 -5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.760 -4.854 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.184 -6.276 -6.960 1.00 0.00 H new ATOM 891 N GLY A 80 15.303 -4.982 -0.856 1.00 0.00 N ATOM 892 CA GLY A 80 16.641 -5.461 -0.566 1.00 0.00 C ATOM 893 C GLY A 80 17.188 -4.899 0.731 1.00 0.00 C ATOM 894 O GLY A 80 18.019 -5.528 1.387 1.00 0.00 O ATOM 0 H GLY A 80 14.718 -4.823 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.630 -6.550 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.307 -5.190 -1.386 1.00 0.00 H new ATOM 898 N LYS A 81 16.721 -3.712 1.103 1.00 0.00 N ATOM 899 CA LYS A 81 17.167 -3.064 2.331 1.00 0.00 C ATOM 900 C LYS A 81 16.616 -3.783 3.558 1.00 0.00 C ATOM 901 O LYS A 81 15.823 -4.716 3.440 1.00 0.00 O ATOM 902 CB LYS A 81 16.729 -1.599 2.346 1.00 0.00 C ATOM 903 CG LYS A 81 17.291 -0.784 1.192 1.00 0.00 C ATOM 904 CD LYS A 81 17.973 0.484 1.680 1.00 0.00 C ATOM 905 CE LYS A 81 17.646 1.672 0.791 1.00 0.00 C ATOM 906 NZ LYS A 81 18.482 2.859 1.118 1.00 0.00 N ATOM 0 H LYS A 81 16.033 -3.179 0.571 1.00 0.00 H new ATOM 0 HA LYS A 81 18.255 -3.112 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.640 -1.554 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.041 -1.145 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.005 -1.389 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.486 -0.523 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.659 0.696 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.052 0.332 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.799 1.397 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.592 1.929 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.227 3.647 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.317 3.138 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.486 2.623 0.988 1.00 0.00 H new ATOM 920 N THR A 82 17.041 -3.340 4.737 1.00 0.00 N ATOM 921 CA THR A 82 16.591 -3.939 5.988 1.00 0.00 C ATOM 922 C THR A 82 15.427 -3.150 6.578 1.00 0.00 C ATOM 923 O THR A 82 15.136 -2.035 6.144 1.00 0.00 O ATOM 924 CB THR A 82 17.743 -3.999 6.992 1.00 0.00 C ATOM 925 OG1 THR A 82 18.992 -3.976 6.323 1.00 0.00 O ATOM 926 CG2 THR A 82 17.712 -5.234 7.865 1.00 0.00 C ATOM 0 H THR A 82 17.697 -2.568 4.852 1.00 0.00 H new ATOM 0 HA THR A 82 16.251 -4.953 5.776 1.00 0.00 H new ATOM 0 HB THR A 82 17.619 -3.122 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.717 -4.013 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.556 -5.214 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.781 -5.256 8.432 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.776 -6.124 7.239 1.00 0.00 H new ATOM 934 N LYS A 83 14.762 -3.737 7.569 1.00 0.00 N ATOM 935 CA LYS A 83 13.629 -3.088 8.221 1.00 0.00 C ATOM 936 C LYS A 83 14.031 -1.730 8.790 1.00 0.00 C ATOM 937 O LYS A 83 13.388 -0.716 8.516 1.00 0.00 O ATOM 938 CB LYS A 83 13.074 -3.981 9.333 1.00 0.00 C ATOM 939 CG LYS A 83 11.661 -4.474 9.069 1.00 0.00 C ATOM 940 CD LYS A 83 10.809 -4.429 10.328 1.00 0.00 C ATOM 941 CE LYS A 83 11.382 -5.317 11.421 1.00 0.00 C ATOM 942 NZ LYS A 83 10.918 -6.727 11.291 1.00 0.00 N ATOM 0 H LYS A 83 14.988 -4.661 7.938 1.00 0.00 H new ATOM 0 HA LYS A 83 12.853 -2.929 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.732 -4.841 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.087 -3.428 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.200 -3.861 8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.696 -5.495 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.745 -3.402 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.794 -4.749 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.471 -5.288 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.090 -4.927 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.261 -7.282 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.878 -6.750 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.290 -7.135 10.410 1.00 0.00 H new ATOM 956 N VAL A 84 15.099 -1.719 9.581 1.00 0.00 N ATOM 957 CA VAL A 84 15.587 -0.488 10.188 1.00 0.00 C ATOM 958 C VAL A 84 16.021 0.513 9.121 1.00 0.00 C ATOM 959 O VAL A 84 15.892 1.725 9.303 1.00 0.00 O ATOM 960 CB VAL A 84 16.771 -0.763 11.137 1.00 0.00 C ATOM 961 CG1 VAL A 84 17.941 -1.369 10.376 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.194 0.513 11.851 1.00 0.00 C ATOM 0 H VAL A 84 15.643 -2.549 9.816 1.00 0.00 H new ATOM 0 HA VAL A 84 14.763 -0.066 10.763 1.00 0.00 H new ATOM 0 HB VAL A 84 16.446 -1.482 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.765 -1.555 11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.630 -2.309 9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.266 -0.678 9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.031 0.298 12.516 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.497 1.258 11.115 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.357 0.898 12.434 1.00 0.00 H new ATOM 972 N GLU A 85 16.535 -0.002 8.010 1.00 0.00 N ATOM 973 CA GLU A 85 16.988 0.846 6.914 1.00 0.00 C ATOM 974 C GLU A 85 15.813 1.566 6.258 1.00 0.00 C ATOM 975 O GLU A 85 15.850 2.779 6.058 1.00 0.00 O ATOM 976 CB GLU A 85 17.736 0.010 5.872 1.00 0.00 C ATOM 977 CG GLU A 85 19.006 -0.631 6.406 1.00 0.00 C ATOM 978 CD GLU A 85 20.231 0.238 6.197 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.334 0.869 5.124 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.086 0.289 7.107 1.00 0.00 O ATOM 0 H GLU A 85 16.648 -1.002 7.845 1.00 0.00 H new ATOM 0 HA GLU A 85 17.665 1.596 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.073 -0.771 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.988 0.644 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.886 -0.834 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.158 -1.592 5.914 1.00 0.00 H new ATOM 987 N VAL A 86 14.775 0.806 5.926 1.00 0.00 N ATOM 988 CA VAL A 86 13.588 1.371 5.292 1.00 0.00 C ATOM 989 C VAL A 86 12.878 2.345 6.228 1.00 0.00 C ATOM 990 O VAL A 86 12.454 3.422 5.812 1.00 0.00 O ATOM 991 CB VAL A 86 12.599 0.269 4.867 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.454 0.862 4.060 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.317 -0.816 4.075 1.00 0.00 C ATOM 0 H VAL A 86 14.731 -0.201 6.085 1.00 0.00 H new ATOM 0 HA VAL A 86 13.926 1.905 4.404 1.00 0.00 H new ATOM 0 HB VAL A 86 12.181 -0.186 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.765 0.069 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.925 1.598 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.850 1.345 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.603 -1.586 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.765 -0.379 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.098 -1.260 4.692 1.00 0.00 H new ATOM 1003 N ALA A 87 12.753 1.958 7.493 1.00 0.00 N ATOM 1004 CA ALA A 87 12.094 2.795 8.489 1.00 0.00 C ATOM 1005 C ALA A 87 12.759 4.165 8.583 1.00 0.00 C ATOM 1006 O ALA A 87 12.092 5.196 8.502 1.00 0.00 O ATOM 1007 CB ALA A 87 12.104 2.108 9.846 1.00 0.00 C ATOM 0 H ALA A 87 13.100 1.069 7.853 1.00 0.00 H new ATOM 0 HA ALA A 87 11.060 2.943 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.609 2.744 10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.577 1.157 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.134 1.930 10.156 1.00 0.00 H new ATOM 1013 N LYS A 88 14.077 4.168 8.752 1.00 0.00 N ATOM 1014 CA LYS A 88 14.833 5.410 8.855 1.00 0.00 C ATOM 1015 C LYS A 88 14.767 6.197 7.550 1.00 0.00 C ATOM 1016 O LYS A 88 14.826 7.425 7.551 1.00 0.00 O ATOM 1017 CB LYS A 88 16.291 5.115 9.215 1.00 0.00 C ATOM 1018 CG LYS A 88 16.571 5.172 10.709 1.00 0.00 C ATOM 1019 CD LYS A 88 17.318 3.934 11.186 1.00 0.00 C ATOM 1020 CE LYS A 88 18.720 3.867 10.601 1.00 0.00 C ATOM 1021 NZ LYS A 88 18.822 2.850 9.517 1.00 0.00 N ATOM 0 H LYS A 88 14.644 3.323 8.821 1.00 0.00 H new ATOM 0 HA LYS A 88 14.387 6.014 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.556 4.126 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.935 5.832 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.158 6.062 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.631 5.263 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.377 3.941 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.762 3.041 10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.996 4.845 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.432 3.628 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.467 2.090 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.881 2.451 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.190 3.298 8.654 1.00 0.00 H new ATOM 1035 N MET A 89 14.648 5.479 6.439 1.00 0.00 N ATOM 1036 CA MET A 89 14.576 6.109 5.125 1.00 0.00 C ATOM 1037 C MET A 89 13.375 7.045 5.034 1.00 0.00 C ATOM 1038 O MET A 89 13.506 8.202 4.637 1.00 0.00 O ATOM 1039 CB MET A 89 14.491 5.043 4.032 1.00 0.00 C ATOM 1040 CG MET A 89 14.446 5.616 2.625 1.00 0.00 C ATOM 1041 SD MET A 89 13.601 4.529 1.462 1.00 0.00 S ATOM 1042 CE MET A 89 14.926 4.167 0.313 1.00 0.00 C ATOM 0 H MET A 89 14.599 4.460 6.421 1.00 0.00 H new ATOM 0 HA MET A 89 15.482 6.697 4.981 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.350 4.378 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.601 4.436 4.197 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.942 6.582 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.463 5.795 2.277 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.697 3.250 -0.229 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.030 4.990 -0.394 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.859 4.040 0.862 1.00 0.00 H new ATOM 1052 N ILE A 90 12.205 6.533 5.404 1.00 0.00 N ATOM 1053 CA ILE A 90 10.980 7.326 5.362 1.00 0.00 C ATOM 1054 C ILE A 90 11.032 8.465 6.373 1.00 0.00 C ATOM 1055 O ILE A 90 10.702 9.608 6.053 1.00 0.00 O ATOM 1056 CB ILE A 90 9.732 6.463 5.643 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.804 5.137 4.880 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.471 7.226 5.268 1.00 0.00 C ATOM 1059 CD1 ILE A 90 10.051 5.299 3.396 1.00 0.00 C ATOM 0 H ILE A 90 12.079 5.576 5.735 1.00 0.00 H new ATOM 0 HA ILE A 90 10.906 7.735 4.354 1.00 0.00 H new ATOM 0 HB ILE A 90 9.701 6.239 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.599 4.526 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.871 4.593 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.597 6.607 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.411 8.142 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.499 7.477 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.089 4.317 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.243 5.883 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.999 5.814 3.239 1.00 0.00 H new ATOM 1071 N GLN A 91 11.446 8.148 7.596 1.00 0.00 N ATOM 1072 CA GLN A 91 11.540 9.147 8.655 1.00 0.00 C ATOM 1073 C GLN A 91 12.474 10.283 8.251 1.00 0.00 C ATOM 1074 O GLN A 91 12.297 11.425 8.673 1.00 0.00 O ATOM 1075 CB GLN A 91 12.033 8.501 9.952 1.00 0.00 C ATOM 1076 CG GLN A 91 11.089 7.445 10.503 1.00 0.00 C ATOM 1077 CD GLN A 91 11.672 6.705 11.691 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.845 6.335 11.690 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.851 6.485 12.712 1.00 0.00 N ATOM 0 H GLN A 91 11.722 7.207 7.878 1.00 0.00 H new ATOM 0 HA GLN A 91 10.545 9.561 8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.008 8.047 9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.175 9.277 10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.153 7.918 10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.850 6.730 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.885 6.810 12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.186 5.991 13.539 1.00 0.00 H new ATOM 1088 N GLU A 92 13.468 9.960 7.429 1.00 0.00 N ATOM 1089 CA GLU A 92 14.430 10.953 6.966 1.00 0.00 C ATOM 1090 C GLU A 92 13.798 11.880 5.932 1.00 0.00 C ATOM 1091 O GLU A 92 13.958 13.099 5.996 1.00 0.00 O ATOM 1092 CB GLU A 92 15.657 10.265 6.368 1.00 0.00 C ATOM 1093 CG GLU A 92 16.670 9.813 7.410 1.00 0.00 C ATOM 1094 CD GLU A 92 17.946 10.631 7.378 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.832 10.318 6.556 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.059 11.585 8.177 1.00 0.00 O ATOM 0 H GLU A 92 13.628 9.019 7.070 1.00 0.00 H new ATOM 0 HA GLU A 92 14.740 11.551 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.332 9.400 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.144 10.949 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.222 9.884 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.912 8.763 7.244 1.00 0.00 H new ATOM 1103 N VAL A 93 13.078 11.294 4.981 1.00 0.00 N ATOM 1104 CA VAL A 93 12.420 12.067 3.935 1.00 0.00 C ATOM 1105 C VAL A 93 11.428 13.061 4.531 1.00 0.00 C ATOM 1106 O VAL A 93 10.745 12.762 5.510 1.00 0.00 O ATOM 1107 CB VAL A 93 11.677 11.154 2.940 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.238 11.944 1.716 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.550 9.972 2.539 1.00 0.00 C ATOM 0 H VAL A 93 12.936 10.286 4.913 1.00 0.00 H new ATOM 0 HA VAL A 93 13.202 12.608 3.403 1.00 0.00 H new ATOM 0 HB VAL A 93 10.785 10.764 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.715 11.283 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.571 12.749 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.113 12.366 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.007 9.340 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.463 10.337 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.806 9.392 3.425 1.00 0.00 H new ATOM 1119 N LYS A 94 11.352 14.244 3.932 1.00 0.00 N ATOM 1120 CA LYS A 94 10.441 15.283 4.403 1.00 0.00 C ATOM 1121 C LYS A 94 9.620 15.849 3.251 1.00 0.00 C ATOM 1122 O LYS A 94 10.127 16.031 2.144 1.00 0.00 O ATOM 1123 CB LYS A 94 11.223 16.406 5.090 1.00 0.00 C ATOM 1124 CG LYS A 94 12.384 16.933 4.265 1.00 0.00 C ATOM 1125 CD LYS A 94 11.944 18.054 3.335 1.00 0.00 C ATOM 1126 CE LYS A 94 12.606 17.939 1.972 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.480 19.197 1.185 1.00 0.00 N ATOM 0 H LYS A 94 11.909 14.508 3.120 1.00 0.00 H new ATOM 0 HA LYS A 94 9.759 14.833 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.543 17.228 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.603 16.041 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.168 17.297 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.814 16.120 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.861 18.027 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.192 19.017 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.661 17.695 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.154 17.117 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.944 19.077 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.474 19.417 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.934 19.977 1.702 1.00 0.00 H new ATOM 1141 N GLY A 95 8.347 16.124 3.518 1.00 0.00 N ATOM 1142 CA GLY A 95 7.474 16.667 2.494 1.00 0.00 C ATOM 1143 C GLY A 95 6.672 15.590 1.788 1.00 0.00 C ATOM 1144 O GLY A 95 6.262 14.608 2.406 1.00 0.00 O ATOM 0 H GLY A 95 7.905 15.980 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.792 17.387 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.071 17.210 1.762 1.00 0.00 H new ATOM 1148 N GLU A 96 6.448 15.776 0.491 1.00 0.00 N ATOM 1149 CA GLU A 96 5.690 14.812 -0.298 1.00 0.00 C ATOM 1150 C GLU A 96 6.460 13.504 -0.446 1.00 0.00 C ATOM 1151 O GLU A 96 7.326 13.375 -1.311 1.00 0.00 O ATOM 1152 CB GLU A 96 5.373 15.391 -1.679 1.00 0.00 C ATOM 1153 CG GLU A 96 6.598 15.906 -2.418 1.00 0.00 C ATOM 1154 CD GLU A 96 6.659 17.421 -2.459 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.665 18.044 -2.889 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.701 17.984 -2.061 1.00 0.00 O ATOM 0 H GLU A 96 6.780 16.584 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 96 4.757 14.605 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.890 14.623 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.657 16.205 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.497 15.523 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.593 15.518 -3.437 1.00 0.00 H new ATOM 1163 N VAL A 97 6.137 12.535 0.406 1.00 0.00 N ATOM 1164 CA VAL A 97 6.798 11.236 0.372 1.00 0.00 C ATOM 1165 C VAL A 97 6.012 10.241 -0.475 1.00 0.00 C ATOM 1166 O VAL A 97 4.829 10.002 -0.230 1.00 0.00 O ATOM 1167 CB VAL A 97 6.978 10.660 1.789 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.791 9.374 1.749 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.632 11.687 2.702 1.00 0.00 C ATOM 0 H VAL A 97 5.422 12.626 1.128 1.00 0.00 H new ATOM 0 HA VAL A 97 7.780 11.392 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 97 5.993 10.423 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.906 8.985 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.276 8.637 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.774 9.578 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.752 11.263 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.610 11.958 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.004 12.576 2.758 1.00 0.00 H new ATOM 1179 N THR A 98 6.675 9.664 -1.471 1.00 0.00 N ATOM 1180 CA THR A 98 6.039 8.694 -2.353 1.00 0.00 C ATOM 1181 C THR A 98 6.362 7.269 -1.915 1.00 0.00 C ATOM 1182 O THR A 98 7.470 6.985 -1.460 1.00 0.00 O ATOM 1183 CB THR A 98 6.496 8.911 -3.797 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.766 10.280 -4.037 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.478 8.459 -4.822 1.00 0.00 C ATOM 0 H THR A 98 7.654 9.852 -1.688 1.00 0.00 H new ATOM 0 HA THR A 98 4.960 8.838 -2.295 1.00 0.00 H new ATOM 0 HB THR A 98 7.395 8.305 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.058 10.398 -4.965 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.865 8.641 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.283 7.394 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.551 9.016 -4.684 1.00 0.00 H new ATOM 1193 N ILE A 99 5.388 6.376 -2.058 1.00 0.00 N ATOM 1194 CA ILE A 99 5.571 4.980 -1.678 1.00 0.00 C ATOM 1195 C ILE A 99 5.032 4.042 -2.752 1.00 0.00 C ATOM 1196 O ILE A 99 3.837 4.039 -3.044 1.00 0.00 O ATOM 1197 CB ILE A 99 4.871 4.657 -0.341 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.032 5.816 0.648 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.424 3.368 0.247 1.00 0.00 C ATOM 1200 CD1 ILE A 99 6.448 5.998 1.148 1.00 0.00 C ATOM 0 H ILE A 99 4.465 6.594 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 99 6.644 4.827 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 99 3.807 4.521 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.704 6.739 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.374 5.648 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.921 3.153 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.254 2.548 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.494 3.478 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.483 6.837 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.774 5.091 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.109 6.198 0.305 1.00 0.00 H new ATOM 1212 N HIS A 100 5.923 3.247 -3.339 1.00 0.00 N ATOM 1213 CA HIS A 100 5.534 2.303 -4.381 1.00 0.00 C ATOM 1214 C HIS A 100 5.045 0.994 -3.770 1.00 0.00 C ATOM 1215 O HIS A 100 5.834 0.082 -3.521 1.00 0.00 O ATOM 1216 CB HIS A 100 6.709 2.033 -5.321 1.00 0.00 C ATOM 1217 CG HIS A 100 7.336 3.279 -5.865 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.385 3.571 -7.212 1.00 0.00 N ATOM 1219 CD2 HIS A 100 7.944 4.313 -5.235 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.995 4.730 -7.388 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.344 5.202 -6.205 1.00 0.00 N ATOM 0 H HIS A 100 6.917 3.238 -3.111 1.00 0.00 H new ATOM 0 HA HIS A 100 4.718 2.746 -4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.466 1.458 -4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.366 1.416 -6.151 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.009 2.984 -7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.088 4.419 -4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.177 5.210 -8.338 1.00 0.00 H new ATOM 1230 N TYR A 101 3.742 0.909 -3.529 1.00 0.00 N ATOM 1231 CA TYR A 101 3.150 -0.289 -2.942 1.00 0.00 C ATOM 1232 C TYR A 101 2.551 -1.188 -4.021 1.00 0.00 C ATOM 1233 O TYR A 101 2.229 -0.731 -5.117 1.00 0.00 O ATOM 1234 CB TYR A 101 2.072 0.098 -1.927 1.00 0.00 C ATOM 1235 CG TYR A 101 0.874 0.786 -2.541 1.00 0.00 C ATOM 1236 CD1 TYR A 101 -0.201 0.051 -3.026 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.820 2.171 -2.639 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -1.296 0.676 -3.589 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -0.273 2.803 -3.201 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.328 2.052 -3.674 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.417 2.679 -4.235 1.00 0.00 O ATOM 0 H TYR A 101 3.075 1.654 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 101 3.939 -0.843 -2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.737 -0.800 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.512 0.755 -1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.180 -1.027 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.645 2.763 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.123 0.090 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.301 3.880 -3.269 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.220 2.137 -4.085 1.00 0.00 H new ATOM 1251 N ASN A 102 2.405 -2.471 -3.698 1.00 0.00 N ATOM 1252 CA ASN A 102 1.845 -3.437 -4.635 1.00 0.00 C ATOM 1253 C ASN A 102 0.586 -4.078 -4.063 1.00 0.00 C ATOM 1254 O ASN A 102 0.631 -4.748 -3.030 1.00 0.00 O ATOM 1255 CB ASN A 102 2.876 -4.519 -4.963 1.00 0.00 C ATOM 1256 CG ASN A 102 4.209 -3.936 -5.389 1.00 0.00 C ATOM 1257 OD1 ASN A 102 5.102 -3.732 -4.568 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.349 -3.665 -6.683 1.00 0.00 N ATOM 0 H ASN A 102 2.667 -2.864 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 102 1.581 -2.907 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.023 -5.154 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.490 -5.156 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.224 -3.272 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.582 -3.850 -7.329 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.539 -3.870 -4.740 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.812 -4.430 -4.297 1.00 0.00 C ATOM 1267 C LYS A 103 -1.831 -5.944 -4.474 1.00 0.00 C ATOM 1268 O LYS A 103 -1.607 -6.454 -5.571 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.969 -3.798 -5.073 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.137 -2.309 -4.811 1.00 0.00 C ATOM 1271 CD LYS A 103 -2.870 -1.483 -6.061 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.142 -0.826 -6.579 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.723 -1.571 -7.729 1.00 0.00 N ATOM 0 H LYS A 103 -0.596 -3.319 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.930 -4.205 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.809 -3.955 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.894 -4.311 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.149 -2.114 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.456 -2.000 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.128 -0.716 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.447 -2.122 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.875 -0.771 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.924 0.198 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.744 -1.382 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.265 -1.262 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.567 -2.591 -7.597 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.103 -6.657 -3.385 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.153 -8.114 -3.416 1.00 0.00 C ATOM 1289 C LEU A 104 -3.497 -8.621 -2.902 1.00 0.00 C ATOM 1290 O LEU A 104 -4.384 -7.834 -2.571 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.017 -8.703 -2.576 1.00 0.00 C ATOM 1292 CG LEU A 104 0.330 -8.809 -3.293 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.214 -7.621 -2.947 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.024 -10.114 -2.934 1.00 0.00 C ATOM 0 H LEU A 104 -2.292 -6.248 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.034 -8.436 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.889 -8.090 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.312 -9.697 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 104 0.149 -8.800 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.168 -7.714 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.721 -6.699 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.387 -7.598 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.981 -10.172 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.192 -10.152 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.397 -10.954 -3.233 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 6.970 -8.138 15.321 1.00 0.00 N ATOM 1308 CA GLU B 121 7.677 -6.865 15.235 1.00 0.00 C ATOM 1309 C GLU B 121 7.307 -6.122 13.956 1.00 0.00 C ATOM 1310 O GLU B 121 7.313 -6.697 12.867 1.00 0.00 O ATOM 1311 CB GLU B 121 9.190 -7.096 15.291 1.00 0.00 C ATOM 1312 CG GLU B 121 9.894 -6.254 16.342 1.00 0.00 C ATOM 1313 CD GLU B 121 11.366 -6.053 16.039 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.678 -5.423 15.007 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.206 -6.528 16.833 1.00 0.00 O ATOM 0 HA GLU B 121 7.379 -6.252 16.085 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.381 -8.150 15.493 1.00 0.00 H new ATOM 0 HB3 GLU B 121 9.619 -6.876 14.314 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.405 -5.282 16.411 1.00 0.00 H new ATOM 0 HG3 GLU B 121 9.789 -6.733 17.316 1.00 0.00 H new ATOM 1322 N SER B 122 6.987 -4.839 14.094 1.00 0.00 N ATOM 1323 CA SER B 122 6.614 -4.016 12.950 1.00 0.00 C ATOM 1324 C SER B 122 7.011 -2.561 13.175 1.00 0.00 C ATOM 1325 O SER B 122 6.378 -1.846 13.953 1.00 0.00 O ATOM 1326 CB SER B 122 5.108 -4.112 12.695 1.00 0.00 C ATOM 1327 OG SER B 122 4.785 -5.309 12.007 1.00 0.00 O ATOM 0 H SER B 122 6.979 -4.347 14.988 1.00 0.00 H new ATOM 0 HA SER B 122 7.148 -4.389 12.076 1.00 0.00 H new ATOM 0 HB2 SER B 122 4.572 -4.077 13.643 1.00 0.00 H new ATOM 0 HB3 SER B 122 4.779 -3.252 12.111 1.00 0.00 H new ATOM 0 HG SER B 122 5.542 -5.930 12.058 1.00 0.00 H new ATOM 1333 N VAL B 123 8.064 -2.127 12.491 1.00 0.00 N ATOM 1334 CA VAL B 123 8.547 -0.757 12.616 1.00 0.00 C ATOM 1335 C VAL B 123 7.570 0.230 11.985 1.00 0.00 C ATOM 1336 O VAL B 123 7.280 0.154 10.791 1.00 0.00 O ATOM 1337 CB VAL B 123 9.929 -0.585 11.959 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.480 0.808 12.224 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.895 -1.650 12.455 1.00 0.00 C ATOM 0 H VAL B 123 8.600 -2.705 11.844 1.00 0.00 H new ATOM 0 HA VAL B 123 8.633 -0.549 13.682 1.00 0.00 H new ATOM 0 HB VAL B 123 9.813 -0.706 10.882 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.457 0.909 11.751 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.799 1.553 11.812 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.579 0.962 13.299 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.866 -1.511 11.979 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.006 -1.566 13.536 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.507 -2.638 12.206 1.00 0.00 H new ATOM 1349 N LYS B 124 7.067 1.156 12.794 1.00 0.00 N ATOM 1350 CA LYS B 124 6.125 2.160 12.315 1.00 0.00 C ATOM 1351 C LYS B 124 6.842 3.470 12.006 1.00 0.00 C ATOM 1352 O LYS B 124 7.612 3.975 12.822 1.00 0.00 O ATOM 1353 CB LYS B 124 5.026 2.399 13.353 1.00 0.00 C ATOM 1354 CG LYS B 124 4.001 3.437 12.925 1.00 0.00 C ATOM 1355 CD LYS B 124 4.279 4.790 13.558 1.00 0.00 C ATOM 1356 CE LYS B 124 3.145 5.770 13.299 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.652 7.145 13.026 1.00 0.00 N ATOM 0 H LYS B 124 7.296 1.232 13.785 1.00 0.00 H new ATOM 0 HA LYS B 124 5.670 1.787 11.397 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.515 1.457 13.553 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.485 2.718 14.289 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.011 3.533 11.839 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.003 3.101 13.206 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.418 4.669 14.632 1.00 0.00 H new ATOM 0 HD3 LYS B 124 5.209 5.195 13.160 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.554 5.426 12.450 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.480 5.793 14.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.387 7.775 13.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.688 7.122 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 3.235 7.499 12.141 1.00 0.00 H new ATOM 1371 N ILE B 125 6.581 4.017 10.824 1.00 0.00 N ATOM 1372 CA ILE B 125 7.201 5.269 10.408 1.00 0.00 C ATOM 1373 C ILE B 125 6.205 6.158 9.672 1.00 0.00 C ATOM 1374 O ILE B 125 6.651 7.095 8.976 1.00 0.00 O ATOM 1375 CB ILE B 125 8.418 5.018 9.498 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.033 4.095 8.341 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.565 4.422 10.298 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.289 4.801 7.228 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.987 5.910 9.797 1.00 0.00 O ATOM 0 H ILE B 125 5.944 3.613 10.137 1.00 0.00 H new ATOM 0 HA ILE B 125 7.533 5.774 11.315 1.00 0.00 H new ATOM 0 HB ILE B 125 8.747 5.972 9.085 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.936 3.641 7.933 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.414 3.284 8.724 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.417 4.251 9.640 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.852 5.112 11.092 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.249 3.475 10.737 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.048 4.086 6.441 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.368 5.232 7.622 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.914 5.594 6.818 1.00 0.00 H new TER 1391 ILE B 125