USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1229 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: B 43 GLN : amide:sc= -0.274 K(o=-0.83,f=-2.8) USER MOD Set 1.2: B 49 ASN : amide:sc= -0.561 K(o=-0.83,f=-2) USER MOD Set 2.1: A 43 GLN :FLIP amide:sc= -0.0247 F(o=-3,f=-1.1) USER MOD Set 2.2: A 49 ASN : amide:sc= -1.05 K(o=-1.1,f=-4!) USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.541 USER MOD Set 3.2: B 3 LYS NZ :NH3+ -154:sc= -0.726 (180deg=-1.22) USER MOD Set 4.1: A 35 THR OG1 : rot 83:sc= 1.11 USER MOD Set 4.2: B 1 MET CE :methyl 138:sc= -2.64 (180deg=-4.91!) USER MOD Set 5.1: A 1 MET CE :methyl 160:sc= -6.41! (180deg=-7.42!) USER MOD Set 5.2: B 35 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0336 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.49 K(o=-0.49,f=-2.4) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= -1.59! (180deg=-1.69!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -90:sc= -8.47! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -23:sc= -5.86! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -159:sc= -6.32! (180deg=-8.53!) USER MOD Single : A 27 SER OG : rot -24:sc= -1.93 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 102:sc= -2.57! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.502 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 154:sc= -0.256 (180deg=-1.3!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -108:sc= 0.115 (180deg=-0.863) USER MOD Single : B 2 ASN : amide:sc= -3.75! C(o=-3.8!,f=-16!) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.14) USER MOD Single : B 14 THR OG1 : rot -110:sc= -9.28! USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 SER OG : rot -41:sc= -9.91! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -163:sc= -13.9! (180deg=-15.5!) USER MOD Single : B 27 SER OG : rot 95:sc= 0.925 USER MOD Single : B 30 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.172) USER MOD Single : B 33 THR OG1 : rot 89:sc= -5.75! USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 180:sc= -0.811! USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 161:sc= -0.985 (180deg=-1.27) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.483 3.934 10.652 1.00 0.00 N ATOM 2 CA MET A 1 4.718 5.185 10.378 1.00 0.00 C ATOM 3 C MET A 1 3.245 4.854 10.117 1.00 0.00 C ATOM 4 O MET A 1 2.848 3.705 10.155 1.00 0.00 O ATOM 5 CB MET A 1 5.365 5.774 9.126 1.00 0.00 C ATOM 6 CG MET A 1 6.319 6.902 9.523 1.00 0.00 C ATOM 7 SD MET A 1 7.523 7.162 8.199 1.00 0.00 S ATOM 8 CE MET A 1 6.329 7.567 6.903 1.00 0.00 C ATOM 0 H1 MET A 1 6.405 3.979 10.172 1.00 0.00 H new ATOM 0 H2 MET A 1 5.630 3.835 11.677 1.00 0.00 H new ATOM 0 H3 MET A 1 4.948 3.115 10.298 1.00 0.00 H new ATOM 0 HA MET A 1 4.744 5.881 11.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.908 4.998 8.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.597 6.154 8.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.759 7.819 9.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.831 6.650 10.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.833 8.103 6.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.893 6.649 6.510 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.540 8.194 7.318 1.00 0.00 H new ATOM 20 N ASN A 2 2.424 5.844 9.848 1.00 0.00 N ATOM 21 CA ASN A 2 0.982 5.554 9.583 1.00 0.00 C ATOM 22 C ASN A 2 0.209 6.824 9.217 1.00 0.00 C ATOM 23 O ASN A 2 0.784 7.848 8.910 1.00 0.00 O ATOM 24 CB ASN A 2 0.439 4.956 10.886 1.00 0.00 C ATOM 25 CG ASN A 2 -0.270 3.633 10.586 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.827 3.457 9.522 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.272 2.690 11.489 1.00 0.00 N ATOM 0 H ASN A 2 2.688 6.828 9.801 1.00 0.00 H new ATOM 0 HA ASN A 2 0.869 4.875 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 2 1.254 4.792 11.590 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.254 5.653 11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.742 1.804 11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.196 2.839 12.383 1.00 0.00 H new ATOM 34 N LYS A 3 -1.103 6.757 9.252 1.00 0.00 N ATOM 35 CA LYS A 3 -1.941 7.953 8.909 1.00 0.00 C ATOM 36 C LYS A 3 -1.485 9.185 9.705 1.00 0.00 C ATOM 37 O LYS A 3 -1.870 10.297 9.405 1.00 0.00 O ATOM 38 CB LYS A 3 -3.378 7.563 9.291 1.00 0.00 C ATOM 39 CG LYS A 3 -4.352 7.977 8.175 1.00 0.00 C ATOM 40 CD LYS A 3 -5.390 6.863 7.958 1.00 0.00 C ATOM 41 CE LYS A 3 -6.572 7.376 7.112 1.00 0.00 C ATOM 42 NZ LYS A 3 -7.409 8.161 8.062 1.00 0.00 N ATOM 0 H LYS A 3 -1.631 5.922 9.504 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.857 8.217 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.439 6.488 9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.658 8.047 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.853 8.908 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.805 8.163 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.921 6.014 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.754 6.506 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.226 7.996 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.135 6.550 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.218 8.573 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.756 7.536 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.838 8.923 8.479 1.00 0.00 H new ATOM 56 N THR A 4 -0.666 8.999 10.712 1.00 0.00 N ATOM 57 CA THR A 4 -0.184 10.163 11.515 1.00 0.00 C ATOM 58 C THR A 4 1.320 10.363 11.295 1.00 0.00 C ATOM 59 O THR A 4 1.773 11.396 10.816 1.00 0.00 O ATOM 60 CB THR A 4 -0.470 9.785 12.970 1.00 0.00 C ATOM 61 OG1 THR A 4 -1.855 9.503 13.120 1.00 0.00 O ATOM 62 CG2 THR A 4 -0.082 10.946 13.888 1.00 0.00 C ATOM 0 H THR A 4 -0.311 8.091 11.011 1.00 0.00 H new ATOM 0 HA THR A 4 -0.675 11.095 11.234 1.00 0.00 H new ATOM 0 HB THR A 4 0.113 8.904 13.238 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.040 9.259 14.051 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.286 10.675 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.980 11.162 13.772 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.663 11.829 13.623 1.00 0.00 H new ATOM 70 N GLU A 5 2.105 9.379 11.631 1.00 0.00 N ATOM 71 CA GLU A 5 3.573 9.514 11.432 1.00 0.00 C ATOM 72 C GLU A 5 3.837 9.982 10.002 1.00 0.00 C ATOM 73 O GLU A 5 4.653 10.853 9.767 1.00 0.00 O ATOM 74 CB GLU A 5 4.154 8.126 11.693 1.00 0.00 C ATOM 75 CG GLU A 5 3.963 7.763 13.169 1.00 0.00 C ATOM 76 CD GLU A 5 3.553 6.294 13.289 1.00 0.00 C ATOM 77 OE1 GLU A 5 2.370 6.018 13.177 1.00 0.00 O ATOM 78 OE2 GLU A 5 4.430 5.470 13.488 1.00 0.00 O ATOM 0 H GLU A 5 1.796 8.493 12.032 1.00 0.00 H new ATOM 0 HA GLU A 5 4.030 10.245 12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.661 7.389 11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.213 8.109 11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.887 7.939 13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.200 8.401 13.615 1.00 0.00 H new ATOM 85 N LEU A 6 3.123 9.441 9.047 1.00 0.00 N ATOM 86 CA LEU A 6 3.316 9.901 7.641 1.00 0.00 C ATOM 87 C LEU A 6 2.991 11.398 7.535 1.00 0.00 C ATOM 88 O LEU A 6 3.623 12.122 6.784 1.00 0.00 O ATOM 89 CB LEU A 6 2.344 9.077 6.794 1.00 0.00 C ATOM 90 CG LEU A 6 2.894 7.661 6.618 1.00 0.00 C ATOM 91 CD1 LEU A 6 1.736 6.671 6.465 1.00 0.00 C ATOM 92 CD2 LEU A 6 3.773 7.611 5.365 1.00 0.00 C ATOM 0 H LEU A 6 2.424 8.710 9.178 1.00 0.00 H new ATOM 0 HA LEU A 6 4.344 9.766 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.366 9.042 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.204 9.548 5.821 1.00 0.00 H new ATOM 0 HG LEU A 6 3.485 7.392 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.133 5.664 6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.108 6.706 7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.142 6.938 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.167 6.603 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.179 7.882 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.600 8.313 5.473 1.00 0.00 H new ATOM 104 N ILE A 7 2.027 11.885 8.292 1.00 0.00 N ATOM 105 CA ILE A 7 1.716 13.345 8.212 1.00 0.00 C ATOM 106 C ILE A 7 2.989 14.102 8.545 1.00 0.00 C ATOM 107 O ILE A 7 3.329 15.077 7.910 1.00 0.00 O ATOM 108 CB ILE A 7 0.578 13.662 9.214 1.00 0.00 C ATOM 109 CG1 ILE A 7 1.118 13.892 10.634 1.00 0.00 C ATOM 110 CG2 ILE A 7 -0.454 12.532 9.240 1.00 0.00 C ATOM 111 CD1 ILE A 7 1.425 15.378 10.828 1.00 0.00 C ATOM 0 H ILE A 7 1.458 11.346 8.944 1.00 0.00 H new ATOM 0 HA ILE A 7 1.379 13.640 7.218 1.00 0.00 H new ATOM 0 HB ILE A 7 0.101 14.581 8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.386 13.562 11.371 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.019 13.300 10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.244 12.777 9.951 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.885 12.410 8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.031 11.603 9.542 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.808 15.542 11.835 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.172 15.693 10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.514 15.959 10.687 1.00 0.00 H new ATOM 123 N LYS A 8 3.724 13.617 9.506 1.00 0.00 N ATOM 124 CA LYS A 8 5.014 14.276 9.845 1.00 0.00 C ATOM 125 C LYS A 8 5.961 14.085 8.667 1.00 0.00 C ATOM 126 O LYS A 8 6.735 14.957 8.327 1.00 0.00 O ATOM 127 CB LYS A 8 5.585 13.563 11.078 1.00 0.00 C ATOM 128 CG LYS A 8 4.488 13.245 12.101 1.00 0.00 C ATOM 129 CD LYS A 8 5.116 12.564 13.324 1.00 0.00 C ATOM 130 CE LYS A 8 5.918 11.329 12.883 1.00 0.00 C ATOM 131 NZ LYS A 8 7.322 11.612 13.294 1.00 0.00 N ATOM 0 H LYS A 8 3.489 12.799 10.068 1.00 0.00 H new ATOM 0 HA LYS A 8 4.884 15.339 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.076 12.640 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.346 14.190 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.979 14.161 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.736 12.594 11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.768 13.264 13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.337 12.270 14.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.542 10.424 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.846 11.176 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.930 10.812 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.655 12.475 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.362 11.747 14.324 1.00 0.00 H new ATOM 145 N ALA A 9 5.891 12.940 8.034 1.00 0.00 N ATOM 146 CA ALA A 9 6.772 12.676 6.864 1.00 0.00 C ATOM 147 C ALA A 9 6.637 13.812 5.862 1.00 0.00 C ATOM 148 O ALA A 9 7.605 14.253 5.278 1.00 0.00 O ATOM 149 CB ALA A 9 6.256 11.374 6.262 1.00 0.00 C ATOM 0 H ALA A 9 5.259 12.178 8.281 1.00 0.00 H new ATOM 0 HA ALA A 9 7.824 12.603 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.857 11.112 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.325 10.578 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.216 11.500 5.960 1.00 0.00 H new ATOM 155 N ILE A 10 5.444 14.312 5.678 1.00 0.00 N ATOM 156 CA ILE A 10 5.258 15.437 4.743 1.00 0.00 C ATOM 157 C ILE A 10 5.328 16.722 5.551 1.00 0.00 C ATOM 158 O ILE A 10 5.764 17.749 5.085 1.00 0.00 O ATOM 159 CB ILE A 10 3.863 15.210 4.130 1.00 0.00 C ATOM 160 CG1 ILE A 10 4.007 14.564 2.749 1.00 0.00 C ATOM 161 CG2 ILE A 10 3.104 16.536 3.985 1.00 0.00 C ATOM 162 CD1 ILE A 10 4.718 13.216 2.883 1.00 0.00 C ATOM 0 H ILE A 10 4.596 13.983 6.139 1.00 0.00 H new ATOM 0 HA ILE A 10 6.009 15.503 3.956 1.00 0.00 H new ATOM 0 HB ILE A 10 3.301 14.554 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.025 14.425 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.572 15.220 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.122 16.348 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.984 16.996 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.666 17.208 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.819 12.759 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.707 13.368 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.135 12.560 3.530 1.00 0.00 H new ATOM 174 N ALA A 11 4.934 16.670 6.781 1.00 0.00 N ATOM 175 CA ALA A 11 5.016 17.894 7.598 1.00 0.00 C ATOM 176 C ALA A 11 6.488 18.293 7.746 1.00 0.00 C ATOM 177 O ALA A 11 6.809 19.407 8.113 1.00 0.00 O ATOM 178 CB ALA A 11 4.395 17.505 8.937 1.00 0.00 C ATOM 0 H ALA A 11 4.563 15.844 7.251 1.00 0.00 H new ATOM 0 HA ALA A 11 4.499 18.749 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.415 18.362 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.363 17.190 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.963 16.685 9.377 1.00 0.00 H new ATOM 184 N GLN A 12 7.389 17.389 7.433 1.00 0.00 N ATOM 185 CA GLN A 12 8.838 17.713 7.524 1.00 0.00 C ATOM 186 C GLN A 12 9.457 17.671 6.122 1.00 0.00 C ATOM 187 O GLN A 12 10.203 18.555 5.747 1.00 0.00 O ATOM 188 CB GLN A 12 9.434 16.652 8.467 1.00 0.00 C ATOM 189 CG GLN A 12 10.616 15.932 7.807 1.00 0.00 C ATOM 190 CD GLN A 12 11.316 15.047 8.839 1.00 0.00 C ATOM 191 OE1 GLN A 12 11.944 15.541 9.754 1.00 0.00 O ATOM 192 NE2 GLN A 12 11.235 13.749 8.730 1.00 0.00 N ATOM 0 H GLN A 12 7.176 16.442 7.119 1.00 0.00 H new ATOM 0 HA GLN A 12 9.034 18.712 7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.763 17.126 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.666 15.927 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.266 15.326 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.318 16.660 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.708 13.334 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.699 13.150 9.413 1.00 0.00 H new ATOM 201 N ASP A 13 9.118 16.689 5.320 1.00 0.00 N ATOM 202 CA ASP A 13 9.663 16.673 3.928 1.00 0.00 C ATOM 203 C ASP A 13 9.042 17.860 3.210 1.00 0.00 C ATOM 204 O ASP A 13 9.586 18.424 2.281 1.00 0.00 O ATOM 205 CB ASP A 13 9.189 15.361 3.301 1.00 0.00 C ATOM 206 CG ASP A 13 9.961 14.189 3.911 1.00 0.00 C ATOM 207 OD1 ASP A 13 10.079 14.148 5.123 1.00 0.00 O ATOM 208 OD2 ASP A 13 10.421 13.351 3.152 1.00 0.00 O ATOM 0 H ASP A 13 8.501 15.914 5.563 1.00 0.00 H new ATOM 0 HA ASP A 13 10.750 16.739 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.120 15.232 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.341 15.387 2.222 1.00 0.00 H new ATOM 213 N THR A 14 7.892 18.238 3.685 1.00 0.00 N ATOM 214 CA THR A 14 7.152 19.387 3.131 1.00 0.00 C ATOM 215 C THR A 14 7.148 20.483 4.213 1.00 0.00 C ATOM 216 O THR A 14 7.990 21.360 4.216 1.00 0.00 O ATOM 217 CB THR A 14 5.753 18.807 2.861 1.00 0.00 C ATOM 218 OG1 THR A 14 5.784 17.401 3.043 1.00 0.00 O ATOM 219 CG2 THR A 14 5.338 19.068 1.433 1.00 0.00 C ATOM 0 H THR A 14 7.423 17.776 4.464 1.00 0.00 H new ATOM 0 HA THR A 14 7.563 19.833 2.225 1.00 0.00 H new ATOM 0 HB THR A 14 5.051 19.279 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.007 16.966 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.346 18.651 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.316 20.142 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.052 18.600 0.755 1.00 0.00 H new ATOM 227 N GLY A 15 6.244 20.411 5.161 1.00 0.00 N ATOM 228 CA GLY A 15 6.227 21.415 6.276 1.00 0.00 C ATOM 229 C GLY A 15 5.766 22.792 5.792 1.00 0.00 C ATOM 230 O GLY A 15 5.507 23.673 6.588 1.00 0.00 O ATOM 0 H GLY A 15 5.515 19.699 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.564 21.067 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.225 21.496 6.708 1.00 0.00 H new ATOM 234 N LEU A 16 5.672 22.986 4.506 1.00 0.00 N ATOM 235 CA LEU A 16 5.229 24.322 3.957 1.00 0.00 C ATOM 236 C LEU A 16 4.178 24.946 4.858 1.00 0.00 C ATOM 237 O LEU A 16 4.373 25.990 5.451 1.00 0.00 O ATOM 238 CB LEU A 16 4.581 24.042 2.600 1.00 0.00 C ATOM 239 CG LEU A 16 5.555 23.308 1.698 1.00 0.00 C ATOM 240 CD1 LEU A 16 5.318 21.808 1.817 1.00 0.00 C ATOM 241 CD2 LEU A 16 5.325 23.743 0.247 1.00 0.00 C ATOM 0 H LEU A 16 5.881 22.281 3.800 1.00 0.00 H new ATOM 0 HA LEU A 16 6.079 25.000 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.679 23.446 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.277 24.979 2.133 1.00 0.00 H new ATOM 0 HG LEU A 16 6.578 23.542 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.016 21.277 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.472 21.496 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.296 21.576 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.023 23.218 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.303 23.503 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.485 24.818 0.160 1.00 0.00 H new ATOM 253 N THR A 17 3.063 24.298 4.951 1.00 0.00 N ATOM 254 CA THR A 17 1.969 24.808 5.795 1.00 0.00 C ATOM 255 C THR A 17 1.389 23.658 6.612 1.00 0.00 C ATOM 256 O THR A 17 0.394 23.813 7.294 1.00 0.00 O ATOM 257 CB THR A 17 0.937 25.346 4.790 1.00 0.00 C ATOM 258 OG1 THR A 17 0.367 26.546 5.292 1.00 0.00 O ATOM 259 CG2 THR A 17 -0.170 24.314 4.551 1.00 0.00 C ATOM 0 H THR A 17 2.862 23.422 4.469 1.00 0.00 H new ATOM 0 HA THR A 17 2.285 25.575 6.502 1.00 0.00 H new ATOM 0 HB THR A 17 1.440 25.544 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.290 26.890 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.891 24.712 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.266 23.398 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.674 24.096 5.493 1.00 0.00 H new ATOM 267 N GLN A 18 1.966 22.485 6.503 1.00 0.00 N ATOM 268 CA GLN A 18 1.389 21.320 7.219 1.00 0.00 C ATOM 269 C GLN A 18 -0.053 21.202 6.757 1.00 0.00 C ATOM 270 O GLN A 18 -0.918 20.752 7.479 1.00 0.00 O ATOM 271 CB GLN A 18 1.477 21.644 8.713 1.00 0.00 C ATOM 272 CG GLN A 18 2.859 22.218 9.029 1.00 0.00 C ATOM 273 CD GLN A 18 3.100 22.177 10.539 1.00 0.00 C ATOM 274 OE1 GLN A 18 2.443 22.870 11.290 1.00 0.00 O ATOM 275 NE2 GLN A 18 4.024 21.389 11.018 1.00 0.00 N ATOM 0 H GLN A 18 2.803 22.292 5.953 1.00 0.00 H new ATOM 0 HA GLN A 18 1.904 20.379 7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.702 22.360 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.302 20.744 9.302 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.629 21.645 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.929 23.244 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.575 20.807 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.194 21.355 12.023 1.00 0.00 H new ATOM 284 N VAL A 19 -0.289 21.641 5.534 1.00 0.00 N ATOM 285 CA VAL A 19 -1.656 21.622 4.929 1.00 0.00 C ATOM 286 C VAL A 19 -2.607 20.827 5.819 1.00 0.00 C ATOM 287 O VAL A 19 -3.149 21.335 6.782 1.00 0.00 O ATOM 288 CB VAL A 19 -1.465 20.992 3.515 1.00 0.00 C ATOM 289 CG1 VAL A 19 -0.527 19.777 3.570 1.00 0.00 C ATOM 290 CG2 VAL A 19 -2.811 20.548 2.927 1.00 0.00 C ATOM 0 H VAL A 19 0.433 22.020 4.921 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.105 22.611 4.841 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.023 21.760 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.413 19.359 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.448 20.087 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.949 19.021 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.651 20.112 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.267 19.806 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.472 21.410 2.840 1.00 0.00 H new ATOM 300 N SER A 20 -2.772 19.590 5.532 1.00 0.00 N ATOM 301 CA SER A 20 -3.615 18.725 6.342 1.00 0.00 C ATOM 302 C SER A 20 -2.837 17.453 6.565 1.00 0.00 C ATOM 303 O SER A 20 -3.418 16.416 6.736 1.00 0.00 O ATOM 304 CB SER A 20 -4.858 18.475 5.513 1.00 0.00 C ATOM 305 OG SER A 20 -5.951 19.217 6.045 1.00 0.00 O ATOM 0 H SER A 20 -2.337 19.127 4.734 1.00 0.00 H new ATOM 0 HA SER A 20 -3.893 19.144 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.680 18.765 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.096 17.411 5.510 1.00 0.00 H new ATOM 0 HG SER A 20 -5.782 19.416 6.990 1.00 0.00 H new ATOM 311 N VAL A 21 -1.521 17.508 6.502 1.00 0.00 N ATOM 312 CA VAL A 21 -0.690 16.279 6.673 1.00 0.00 C ATOM 313 C VAL A 21 -1.513 15.208 7.362 1.00 0.00 C ATOM 314 O VAL A 21 -1.503 14.045 7.004 1.00 0.00 O ATOM 315 CB VAL A 21 0.483 16.720 7.551 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.309 17.768 6.805 1.00 0.00 C ATOM 317 CG2 VAL A 21 -0.037 17.324 8.860 1.00 0.00 C ATOM 0 H VAL A 21 -0.989 18.363 6.338 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.346 15.860 5.727 1.00 0.00 H new ATOM 0 HB VAL A 21 1.103 15.853 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.145 18.084 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.689 17.339 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.682 18.630 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.806 17.635 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.663 18.189 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.625 16.579 9.396 1.00 0.00 H new ATOM 327 N SER A 22 -2.278 15.638 8.310 1.00 0.00 N ATOM 328 CA SER A 22 -3.177 14.702 9.040 1.00 0.00 C ATOM 329 C SER A 22 -4.449 14.470 8.225 1.00 0.00 C ATOM 330 O SER A 22 -4.965 13.372 8.161 1.00 0.00 O ATOM 331 CB SER A 22 -3.499 15.401 10.360 1.00 0.00 C ATOM 332 OG SER A 22 -2.481 15.107 11.308 1.00 0.00 O ATOM 0 H SER A 22 -2.325 16.609 8.620 1.00 0.00 H new ATOM 0 HA SER A 22 -2.719 13.727 9.207 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.569 16.478 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.467 15.068 10.734 1.00 0.00 H new ATOM 0 HG SER A 22 -2.684 15.555 12.155 1.00 0.00 H new ATOM 338 N LYS A 23 -4.950 15.498 7.595 1.00 0.00 N ATOM 339 CA LYS A 23 -6.176 15.348 6.775 1.00 0.00 C ATOM 340 C LYS A 23 -5.837 14.897 5.348 1.00 0.00 C ATOM 341 O LYS A 23 -6.572 14.120 4.770 1.00 0.00 O ATOM 342 CB LYS A 23 -6.834 16.727 6.774 1.00 0.00 C ATOM 343 CG LYS A 23 -8.201 16.653 7.457 1.00 0.00 C ATOM 344 CD LYS A 23 -9.232 17.448 6.645 1.00 0.00 C ATOM 345 CE LYS A 23 -8.656 18.817 6.270 1.00 0.00 C ATOM 346 NZ LYS A 23 -9.832 19.729 6.207 1.00 0.00 N ATOM 0 H LYS A 23 -4.557 16.439 7.616 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.840 14.585 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.197 17.444 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.948 17.084 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.518 15.614 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.134 17.053 8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.501 16.897 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.146 17.575 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.933 19.157 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.136 18.777 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.515 20.687 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.500 19.385 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.303 19.753 7.134 1.00 0.00 H new ATOM 360 N MET A 24 -4.740 15.336 4.757 1.00 0.00 N ATOM 361 CA MET A 24 -4.454 14.843 3.378 1.00 0.00 C ATOM 362 C MET A 24 -4.123 13.355 3.464 1.00 0.00 C ATOM 363 O MET A 24 -4.554 12.582 2.635 1.00 0.00 O ATOM 364 CB MET A 24 -3.300 15.658 2.748 1.00 0.00 C ATOM 365 CG MET A 24 -2.463 16.404 3.787 1.00 0.00 C ATOM 366 SD MET A 24 -0.728 16.170 3.380 1.00 0.00 S ATOM 367 CE MET A 24 -0.726 14.444 3.893 1.00 0.00 C ATOM 0 H MET A 24 -4.062 15.986 5.155 1.00 0.00 H new ATOM 0 HA MET A 24 -5.322 14.975 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.654 14.986 2.183 1.00 0.00 H new ATOM 0 HB3 MET A 24 -3.713 16.375 2.039 1.00 0.00 H new ATOM 0 HG2 MET A 24 -2.714 17.465 3.787 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.673 16.026 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.296 14.128 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.333 14.331 4.791 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.139 13.827 3.095 1.00 0.00 H new ATOM 377 N LEU A 25 -3.413 12.920 4.485 1.00 0.00 N ATOM 378 CA LEU A 25 -3.159 11.458 4.599 1.00 0.00 C ATOM 379 C LEU A 25 -4.463 10.789 5.010 1.00 0.00 C ATOM 380 O LEU A 25 -4.890 9.820 4.417 1.00 0.00 O ATOM 381 CB LEU A 25 -2.098 11.291 5.675 1.00 0.00 C ATOM 382 CG LEU A 25 -0.726 11.333 5.017 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.335 11.650 6.066 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.424 9.974 4.379 1.00 0.00 C ATOM 0 H LEU A 25 -3.012 13.502 5.221 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.818 11.010 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.185 12.084 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.237 10.346 6.199 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.717 12.106 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.317 11.680 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.121 12.618 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.327 10.879 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.558 10.004 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.435 9.201 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.180 9.749 3.627 1.00 0.00 H new ATOM 396 N ALA A 26 -5.127 11.331 6.001 1.00 0.00 N ATOM 397 CA ALA A 26 -6.432 10.749 6.418 1.00 0.00 C ATOM 398 C ALA A 26 -7.345 10.701 5.196 1.00 0.00 C ATOM 399 O ALA A 26 -8.133 9.791 5.021 1.00 0.00 O ATOM 400 CB ALA A 26 -6.990 11.702 7.474 1.00 0.00 C ATOM 0 H ALA A 26 -4.821 12.145 6.534 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.343 9.739 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.953 11.332 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.296 11.762 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.119 12.693 7.038 1.00 0.00 H new ATOM 406 N SER A 27 -7.210 11.672 4.330 1.00 0.00 N ATOM 407 CA SER A 27 -8.032 11.690 3.094 1.00 0.00 C ATOM 408 C SER A 27 -7.367 10.798 2.049 1.00 0.00 C ATOM 409 O SER A 27 -8.024 10.169 1.252 1.00 0.00 O ATOM 410 CB SER A 27 -8.051 13.146 2.631 1.00 0.00 C ATOM 411 OG SER A 27 -6.785 13.480 2.082 1.00 0.00 O ATOM 0 H SER A 27 -6.562 12.454 4.430 1.00 0.00 H new ATOM 0 HA SER A 27 -9.045 11.321 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.833 13.293 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.282 13.803 3.469 1.00 0.00 H new ATOM 0 HG SER A 27 -6.102 12.879 2.446 1.00 0.00 H new ATOM 417 N PHE A 28 -6.057 10.728 2.069 1.00 0.00 N ATOM 418 CA PHE A 28 -5.328 9.860 1.094 1.00 0.00 C ATOM 419 C PHE A 28 -5.842 8.433 1.228 1.00 0.00 C ATOM 420 O PHE A 28 -6.181 7.795 0.264 1.00 0.00 O ATOM 421 CB PHE A 28 -3.852 9.961 1.498 1.00 0.00 C ATOM 422 CG PHE A 28 -3.118 8.661 1.227 1.00 0.00 C ATOM 423 CD1 PHE A 28 -3.175 7.611 2.155 1.00 0.00 C ATOM 424 CD2 PHE A 28 -2.357 8.516 0.063 1.00 0.00 C ATOM 425 CE1 PHE A 28 -2.472 6.429 1.919 1.00 0.00 C ATOM 426 CE2 PHE A 28 -1.658 7.330 -0.173 1.00 0.00 C ATOM 427 CZ PHE A 28 -1.712 6.287 0.755 1.00 0.00 C ATOM 0 H PHE A 28 -5.461 11.237 2.721 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.470 10.161 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.376 10.772 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.778 10.209 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.764 7.717 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.310 9.322 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.515 5.623 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.074 7.219 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.167 5.372 0.573 1.00 0.00 H new ATOM 437 N GLU A 29 -5.947 7.946 2.420 1.00 0.00 N ATOM 438 CA GLU A 29 -6.487 6.588 2.601 1.00 0.00 C ATOM 439 C GLU A 29 -7.959 6.657 2.290 1.00 0.00 C ATOM 440 O GLU A 29 -8.535 5.776 1.691 1.00 0.00 O ATOM 441 CB GLU A 29 -6.229 6.278 4.060 1.00 0.00 C ATOM 442 CG GLU A 29 -4.831 5.705 4.161 1.00 0.00 C ATOM 443 CD GLU A 29 -4.014 6.488 5.192 1.00 0.00 C ATOM 444 OE1 GLU A 29 -4.132 7.699 5.211 1.00 0.00 O ATOM 445 OE2 GLU A 29 -3.283 5.863 5.942 1.00 0.00 O ATOM 0 H GLU A 29 -5.682 8.431 3.277 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.045 5.822 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.319 7.180 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.964 5.566 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.880 4.654 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.341 5.748 3.188 1.00 0.00 H new ATOM 452 N LYS A 30 -8.551 7.750 2.648 1.00 0.00 N ATOM 453 CA LYS A 30 -9.979 7.943 2.335 1.00 0.00 C ATOM 454 C LYS A 30 -10.134 8.009 0.820 1.00 0.00 C ATOM 455 O LYS A 30 -11.178 7.754 0.305 1.00 0.00 O ATOM 456 CB LYS A 30 -10.374 9.272 2.970 1.00 0.00 C ATOM 457 CG LYS A 30 -11.897 9.411 2.929 1.00 0.00 C ATOM 458 CD LYS A 30 -12.291 10.830 3.343 1.00 0.00 C ATOM 459 CE LYS A 30 -13.816 10.946 3.385 1.00 0.00 C ATOM 460 NZ LYS A 30 -14.091 12.410 3.377 1.00 0.00 N ATOM 0 H LYS A 30 -8.105 8.520 3.146 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.606 7.135 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.020 9.317 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.906 10.099 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.265 9.198 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.357 8.684 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.871 11.064 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.880 11.553 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.273 10.454 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.224 10.473 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.118 12.570 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.649 12.851 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.698 12.832 2.512 1.00 0.00 H new ATOM 474 N ILE A 31 -9.090 8.320 0.097 1.00 0.00 N ATOM 475 CA ILE A 31 -9.209 8.360 -1.387 1.00 0.00 C ATOM 476 C ILE A 31 -8.535 7.131 -1.972 1.00 0.00 C ATOM 477 O ILE A 31 -8.940 6.612 -2.988 1.00 0.00 O ATOM 478 CB ILE A 31 -8.546 9.647 -1.867 1.00 0.00 C ATOM 479 CG1 ILE A 31 -7.186 9.850 -1.229 1.00 0.00 C ATOM 480 CG2 ILE A 31 -9.452 10.835 -1.549 1.00 0.00 C ATOM 481 CD1 ILE A 31 -6.111 9.654 -2.295 1.00 0.00 C ATOM 0 H ILE A 31 -8.167 8.546 0.468 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.250 8.352 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.397 9.570 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.115 10.850 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.042 9.142 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.979 11.755 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.409 10.709 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.615 10.890 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.127 9.797 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.182 8.645 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.256 10.379 -3.096 1.00 0.00 H new ATOM 493 N ILE A 32 -7.544 6.630 -1.304 1.00 0.00 N ATOM 494 CA ILE A 32 -6.884 5.386 -1.784 1.00 0.00 C ATOM 495 C ILE A 32 -7.861 4.252 -1.543 1.00 0.00 C ATOM 496 O ILE A 32 -8.170 3.473 -2.428 1.00 0.00 O ATOM 497 CB ILE A 32 -5.614 5.189 -0.947 1.00 0.00 C ATOM 498 CG1 ILE A 32 -4.685 6.407 -1.125 1.00 0.00 C ATOM 499 CG2 ILE A 32 -4.901 3.912 -1.424 1.00 0.00 C ATOM 500 CD1 ILE A 32 -3.497 6.062 -2.029 1.00 0.00 C ATOM 0 H ILE A 32 -7.159 7.025 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.617 5.427 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.872 5.093 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.245 7.237 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.322 6.738 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.995 3.760 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.564 3.056 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.638 4.014 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.857 6.937 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.925 5.248 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.863 5.755 -3.009 1.00 0.00 H new ATOM 512 N THR A 33 -8.389 4.186 -0.348 1.00 0.00 N ATOM 513 CA THR A 33 -9.382 3.137 -0.053 1.00 0.00 C ATOM 514 C THR A 33 -10.652 3.460 -0.841 1.00 0.00 C ATOM 515 O THR A 33 -11.267 2.598 -1.441 1.00 0.00 O ATOM 516 CB THR A 33 -9.615 3.188 1.470 1.00 0.00 C ATOM 517 OG1 THR A 33 -9.308 1.926 2.031 1.00 0.00 O ATOM 518 CG2 THR A 33 -11.073 3.524 1.789 1.00 0.00 C ATOM 0 H THR A 33 -8.171 4.814 0.426 1.00 0.00 H new ATOM 0 HA THR A 33 -9.059 2.136 -0.338 1.00 0.00 H new ATOM 0 HB THR A 33 -8.973 3.962 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.424 1.961 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.211 3.554 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.324 4.496 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.724 2.762 1.361 1.00 0.00 H new ATOM 526 N GLU A 34 -11.041 4.710 -0.846 1.00 0.00 N ATOM 527 CA GLU A 34 -12.260 5.105 -1.594 1.00 0.00 C ATOM 528 C GLU A 34 -12.041 4.974 -3.104 1.00 0.00 C ATOM 529 O GLU A 34 -12.911 4.500 -3.800 1.00 0.00 O ATOM 530 CB GLU A 34 -12.499 6.552 -1.197 1.00 0.00 C ATOM 531 CG GLU A 34 -13.116 6.584 0.214 1.00 0.00 C ATOM 532 CD GLU A 34 -14.510 5.952 0.179 1.00 0.00 C ATOM 533 OE1 GLU A 34 -15.363 6.487 -0.510 1.00 0.00 O ATOM 534 OE2 GLU A 34 -14.698 4.947 0.842 1.00 0.00 O ATOM 0 H GLU A 34 -10.563 5.470 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.114 4.469 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.561 7.107 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.166 7.034 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.478 6.044 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.180 7.612 0.571 1.00 0.00 H new ATOM 541 N THR A 35 -10.896 5.366 -3.633 1.00 0.00 N ATOM 542 CA THR A 35 -10.696 5.218 -5.112 1.00 0.00 C ATOM 543 C THR A 35 -10.998 3.788 -5.497 1.00 0.00 C ATOM 544 O THR A 35 -11.777 3.537 -6.394 1.00 0.00 O ATOM 545 CB THR A 35 -9.237 5.544 -5.431 1.00 0.00 C ATOM 546 OG1 THR A 35 -9.043 6.951 -5.389 1.00 0.00 O ATOM 547 CG2 THR A 35 -8.920 5.021 -6.842 1.00 0.00 C ATOM 0 H THR A 35 -10.114 5.771 -3.118 1.00 0.00 H new ATOM 0 HA THR A 35 -11.353 5.889 -5.665 1.00 0.00 H new ATOM 0 HB THR A 35 -8.579 5.074 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.900 7.234 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.882 5.244 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.077 3.943 -6.874 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.577 5.505 -7.565 1.00 0.00 H new ATOM 555 N VAL A 36 -10.421 2.841 -4.812 1.00 0.00 N ATOM 556 CA VAL A 36 -10.751 1.432 -5.147 1.00 0.00 C ATOM 557 C VAL A 36 -12.273 1.301 -5.084 1.00 0.00 C ATOM 558 O VAL A 36 -12.894 0.625 -5.878 1.00 0.00 O ATOM 559 CB VAL A 36 -10.068 0.581 -4.072 1.00 0.00 C ATOM 560 CG1 VAL A 36 -11.065 -0.429 -3.492 1.00 0.00 C ATOM 561 CG2 VAL A 36 -8.886 -0.163 -4.695 1.00 0.00 C ATOM 0 H VAL A 36 -9.752 2.977 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.417 1.118 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.713 1.228 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.571 -1.030 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.905 0.104 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.428 -1.080 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.396 -0.770 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.244 -0.807 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.174 0.557 -5.098 1.00 0.00 H new ATOM 571 N ALA A 37 -12.865 1.988 -4.144 1.00 0.00 N ATOM 572 CA ALA A 37 -14.343 1.966 -4.015 1.00 0.00 C ATOM 573 C ALA A 37 -14.963 2.943 -5.017 1.00 0.00 C ATOM 574 O ALA A 37 -16.162 2.990 -5.199 1.00 0.00 O ATOM 575 CB ALA A 37 -14.624 2.406 -2.594 1.00 0.00 C ATOM 0 H ALA A 37 -12.381 2.566 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.766 0.982 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.700 2.415 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.151 1.713 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.223 3.407 -2.437 1.00 0.00 H new ATOM 581 N LYS A 38 -14.146 3.696 -5.697 1.00 0.00 N ATOM 582 CA LYS A 38 -14.681 4.624 -6.728 1.00 0.00 C ATOM 583 C LYS A 38 -14.534 3.920 -8.059 1.00 0.00 C ATOM 584 O LYS A 38 -15.267 4.157 -9.000 1.00 0.00 O ATOM 585 CB LYS A 38 -13.819 5.891 -6.682 1.00 0.00 C ATOM 586 CG LYS A 38 -14.089 6.684 -5.395 1.00 0.00 C ATOM 587 CD LYS A 38 -15.591 6.947 -5.236 1.00 0.00 C ATOM 588 CE LYS A 38 -16.141 6.085 -4.095 1.00 0.00 C ATOM 589 NZ LYS A 38 -17.575 5.868 -4.435 1.00 0.00 N ATOM 0 H LYS A 38 -13.132 3.709 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.725 4.893 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.764 5.621 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.032 6.514 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.717 6.129 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.548 7.630 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.766 8.002 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.112 6.716 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.605 5.139 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.035 6.588 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.022 5.285 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.061 6.786 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.645 5.382 -5.352 1.00 0.00 H new ATOM 603 N GLY A 39 -13.597 3.017 -8.119 1.00 0.00 N ATOM 604 CA GLY A 39 -13.394 2.242 -9.347 1.00 0.00 C ATOM 605 C GLY A 39 -12.128 2.701 -10.064 1.00 0.00 C ATOM 606 O GLY A 39 -12.101 2.811 -11.275 1.00 0.00 O ATOM 0 H GLY A 39 -12.962 2.789 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.319 1.181 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.255 2.360 -10.005 1.00 0.00 H new ATOM 610 N ASP A 40 -11.074 2.964 -9.337 1.00 0.00 N ATOM 611 CA ASP A 40 -9.818 3.409 -10.011 1.00 0.00 C ATOM 612 C ASP A 40 -8.602 2.701 -9.406 1.00 0.00 C ATOM 613 O ASP A 40 -8.563 2.395 -8.231 1.00 0.00 O ATOM 614 CB ASP A 40 -9.745 4.920 -9.775 1.00 0.00 C ATOM 615 CG ASP A 40 -9.861 5.654 -11.112 1.00 0.00 C ATOM 616 OD1 ASP A 40 -8.939 5.552 -11.905 1.00 0.00 O ATOM 617 OD2 ASP A 40 -10.871 6.306 -11.323 1.00 0.00 O ATOM 0 H ASP A 40 -11.027 2.892 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.819 3.168 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.547 5.233 -9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.805 5.177 -9.288 1.00 0.00 H new ATOM 622 N LYS A 41 -7.604 2.453 -10.211 1.00 0.00 N ATOM 623 CA LYS A 41 -6.375 1.779 -9.716 1.00 0.00 C ATOM 624 C LYS A 41 -5.303 2.838 -9.483 1.00 0.00 C ATOM 625 O LYS A 41 -4.696 3.336 -10.412 1.00 0.00 O ATOM 626 CB LYS A 41 -5.954 0.822 -10.837 1.00 0.00 C ATOM 627 CG LYS A 41 -7.126 -0.093 -11.210 1.00 0.00 C ATOM 628 CD LYS A 41 -6.774 -0.884 -12.471 1.00 0.00 C ATOM 629 CE LYS A 41 -6.771 0.056 -13.680 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.357 -0.744 -14.791 1.00 0.00 N ATOM 0 H LYS A 41 -7.591 2.693 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.530 1.242 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.633 1.390 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.102 0.223 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.344 -0.776 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.025 0.500 -11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.796 -1.352 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.496 -1.687 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.361 0.952 -13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.760 0.386 -13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.388 -0.167 -15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.771 -1.587 -14.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.321 -1.038 -14.536 1.00 0.00 H new ATOM 644 N VAL A 42 -5.076 3.196 -8.255 1.00 0.00 N ATOM 645 CA VAL A 42 -4.047 4.247 -7.968 1.00 0.00 C ATOM 646 C VAL A 42 -2.640 3.662 -8.131 1.00 0.00 C ATOM 647 O VAL A 42 -2.429 2.477 -7.966 1.00 0.00 O ATOM 648 CB VAL A 42 -4.315 4.704 -6.525 1.00 0.00 C ATOM 649 CG1 VAL A 42 -3.009 5.103 -5.831 1.00 0.00 C ATOM 650 CG2 VAL A 42 -5.259 5.908 -6.547 1.00 0.00 C ATOM 0 H VAL A 42 -5.551 2.814 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.108 5.090 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.766 3.878 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.222 5.423 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.333 4.248 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.542 5.922 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.453 6.237 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.799 6.721 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.199 5.625 -7.022 1.00 0.00 H new ATOM 660 N GLN A 43 -1.679 4.486 -8.464 1.00 0.00 N ATOM 661 CA GLN A 43 -0.290 3.973 -8.649 1.00 0.00 C ATOM 662 C GLN A 43 0.720 4.964 -8.073 1.00 0.00 C ATOM 663 O GLN A 43 1.139 5.885 -8.741 1.00 0.00 O ATOM 664 CB GLN A 43 -0.097 3.850 -10.166 1.00 0.00 C ATOM 665 CG GLN A 43 -1.384 3.340 -10.823 1.00 0.00 C ATOM 666 CD GLN A 43 -1.085 2.884 -12.252 1.00 0.00 C ATOM 667 OE1 GLN A 43 -0.179 1.967 -12.456 1.00 0.00 O flip ATOM 668 NE2 GLN A 43 -1.682 3.367 -13.194 1.00 0.00 N flip ATOM 0 H GLN A 43 -1.796 5.488 -8.615 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.140 3.021 -8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.175 4.819 -10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.725 3.167 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.796 2.513 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.137 4.128 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.390 4.084 -13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.475 3.056 -14.143 1.00 0.00 H new ATOM 677 N LEU A 44 1.130 4.783 -6.845 1.00 0.00 N ATOM 678 CA LEU A 44 2.126 5.729 -6.258 1.00 0.00 C ATOM 679 C LEU A 44 3.389 5.717 -7.113 1.00 0.00 C ATOM 680 O LEU A 44 4.081 4.723 -7.177 1.00 0.00 O ATOM 681 CB LEU A 44 2.436 5.199 -4.853 1.00 0.00 C ATOM 682 CG LEU A 44 1.149 5.093 -4.023 1.00 0.00 C ATOM 683 CD1 LEU A 44 1.506 4.863 -2.551 1.00 0.00 C ATOM 684 CD2 LEU A 44 0.352 6.393 -4.142 1.00 0.00 C ATOM 0 H LEU A 44 0.823 4.030 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 44 1.749 6.751 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.912 4.221 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.143 5.863 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 44 0.552 4.260 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.592 4.788 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.076 3.939 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.104 5.698 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.561 6.315 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.953 7.224 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.095 6.568 -5.187 1.00 0.00 H new ATOM 696 N THR A 45 3.682 6.812 -7.782 1.00 0.00 N ATOM 697 CA THR A 45 4.899 6.884 -8.666 1.00 0.00 C ATOM 698 C THR A 45 5.144 5.536 -9.359 1.00 0.00 C ATOM 699 O THR A 45 4.659 5.296 -10.448 1.00 0.00 O ATOM 700 CB THR A 45 6.086 7.281 -7.760 1.00 0.00 C ATOM 701 OG1 THR A 45 7.290 6.748 -8.298 1.00 0.00 O ATOM 702 CG2 THR A 45 5.898 6.757 -6.332 1.00 0.00 C ATOM 0 H THR A 45 3.126 7.667 -7.754 1.00 0.00 H new ATOM 0 HA THR A 45 4.767 7.619 -9.460 1.00 0.00 H new ATOM 0 HB THR A 45 6.136 8.369 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.044 7.000 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.750 7.053 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.985 7.175 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.825 5.670 -6.350 1.00 0.00 H new ATOM 710 N GLY A 46 5.878 4.654 -8.738 1.00 0.00 N ATOM 711 CA GLY A 46 6.133 3.330 -9.359 1.00 0.00 C ATOM 712 C GLY A 46 6.307 2.278 -8.263 1.00 0.00 C ATOM 713 O GLY A 46 7.007 1.301 -8.448 1.00 0.00 O ATOM 0 H GLY A 46 6.312 4.796 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.304 3.057 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.027 3.374 -9.981 1.00 0.00 H new ATOM 717 N PHE A 47 5.681 2.456 -7.120 1.00 0.00 N ATOM 718 CA PHE A 47 5.843 1.435 -6.044 1.00 0.00 C ATOM 719 C PHE A 47 4.506 0.938 -5.496 1.00 0.00 C ATOM 720 O PHE A 47 4.411 -0.188 -5.056 1.00 0.00 O ATOM 721 CB PHE A 47 6.725 2.075 -4.961 1.00 0.00 C ATOM 722 CG PHE A 47 5.996 3.127 -4.159 1.00 0.00 C ATOM 723 CD1 PHE A 47 4.973 2.773 -3.270 1.00 0.00 C ATOM 724 CD2 PHE A 47 6.380 4.463 -4.273 1.00 0.00 C ATOM 725 CE1 PHE A 47 4.337 3.756 -2.509 1.00 0.00 C ATOM 726 CE2 PHE A 47 5.744 5.438 -3.517 1.00 0.00 C ATOM 727 CZ PHE A 47 4.723 5.090 -2.633 1.00 0.00 C ATOM 0 H PHE A 47 5.079 3.247 -6.893 1.00 0.00 H new ATOM 0 HA PHE A 47 6.317 0.537 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.087 1.298 -4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.600 2.524 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.676 1.739 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.174 4.739 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.547 3.483 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.041 6.472 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.232 5.852 -2.046 1.00 0.00 H new ATOM 737 N LEU A 48 3.470 1.724 -5.520 1.00 0.00 N ATOM 738 CA LEU A 48 2.174 1.203 -4.992 1.00 0.00 C ATOM 739 C LEU A 48 1.070 1.301 -6.039 1.00 0.00 C ATOM 740 O LEU A 48 0.497 2.349 -6.264 1.00 0.00 O ATOM 741 CB LEU A 48 1.851 2.053 -3.769 1.00 0.00 C ATOM 742 CG LEU A 48 2.208 1.318 -2.458 1.00 0.00 C ATOM 743 CD1 LEU A 48 1.175 1.671 -1.392 1.00 0.00 C ATOM 744 CD2 LEU A 48 2.225 -0.205 -2.655 1.00 0.00 C ATOM 0 H LEU A 48 3.457 2.681 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 48 2.248 0.147 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.401 2.992 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.790 2.304 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 48 3.204 1.634 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.420 1.156 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.181 2.748 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.185 1.362 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.480 -0.691 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.241 -0.541 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.967 -0.466 -3.410 1.00 0.00 H new ATOM 756 N ASN A 49 0.772 0.202 -6.677 1.00 0.00 N ATOM 757 CA ASN A 49 -0.296 0.195 -7.721 1.00 0.00 C ATOM 758 C ASN A 49 -1.530 -0.573 -7.227 1.00 0.00 C ATOM 759 O ASN A 49 -1.666 -1.756 -7.470 1.00 0.00 O ATOM 760 CB ASN A 49 0.335 -0.530 -8.910 1.00 0.00 C ATOM 761 CG ASN A 49 -0.502 -0.287 -10.169 1.00 0.00 C ATOM 762 OD1 ASN A 49 -1.571 0.287 -10.103 1.00 0.00 O ATOM 763 ND2 ASN A 49 -0.056 -0.703 -11.322 1.00 0.00 N ATOM 0 H ASN A 49 1.225 -0.698 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.632 1.201 -7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.354 -0.175 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.398 -1.599 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.604 -0.546 -12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.841 -1.185 -11.378 1.00 0.00 H new ATOM 770 N ILE A 50 -2.433 0.087 -6.546 1.00 0.00 N ATOM 771 CA ILE A 50 -3.657 -0.617 -6.049 1.00 0.00 C ATOM 772 C ILE A 50 -4.679 -0.775 -7.176 1.00 0.00 C ATOM 773 O ILE A 50 -4.786 0.067 -8.046 1.00 0.00 O ATOM 774 CB ILE A 50 -4.236 0.282 -4.952 1.00 0.00 C ATOM 775 CG1 ILE A 50 -4.556 1.665 -5.521 1.00 0.00 C ATOM 776 CG2 ILE A 50 -3.233 0.425 -3.810 1.00 0.00 C ATOM 777 CD1 ILE A 50 -6.026 1.999 -5.235 1.00 0.00 C ATOM 0 H ILE A 50 -2.377 1.078 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.418 -1.614 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.151 -0.174 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.906 2.416 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.369 1.682 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.653 1.066 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.017 -0.558 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.312 0.869 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.260 2.984 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.667 1.253 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.197 1.998 -4.158 1.00 0.00 H new ATOM 789 N LYS A 51 -5.446 -1.836 -7.165 1.00 0.00 N ATOM 790 CA LYS A 51 -6.468 -2.008 -8.241 1.00 0.00 C ATOM 791 C LYS A 51 -7.588 -2.943 -7.760 1.00 0.00 C ATOM 792 O LYS A 51 -7.327 -4.060 -7.363 1.00 0.00 O ATOM 793 CB LYS A 51 -5.719 -2.616 -9.434 1.00 0.00 C ATOM 794 CG LYS A 51 -4.853 -3.792 -8.971 1.00 0.00 C ATOM 795 CD LYS A 51 -4.294 -4.523 -10.192 1.00 0.00 C ATOM 796 CE LYS A 51 -5.224 -5.680 -10.566 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.348 -6.672 -11.248 1.00 0.00 N ATOM 0 H LYS A 51 -5.410 -2.580 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.939 -1.063 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.432 -2.954 -10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.094 -1.858 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.037 -3.432 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.445 -4.476 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.200 -3.833 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.295 -4.901 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.694 -6.110 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.027 -5.345 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.914 -7.496 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.920 -6.236 -12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.597 -6.978 -10.597 1.00 0.00 H new ATOM 811 N PRO A 52 -8.805 -2.451 -7.789 1.00 0.00 N ATOM 812 CA PRO A 52 -9.956 -3.259 -7.324 1.00 0.00 C ATOM 813 C PRO A 52 -10.431 -4.247 -8.390 1.00 0.00 C ATOM 814 O PRO A 52 -10.492 -3.941 -9.566 1.00 0.00 O ATOM 815 CB PRO A 52 -11.037 -2.222 -7.057 1.00 0.00 C ATOM 816 CG PRO A 52 -10.702 -1.063 -7.938 1.00 0.00 C ATOM 817 CD PRO A 52 -9.222 -1.118 -8.242 1.00 0.00 C ATOM 0 HA PRO A 52 -9.702 -3.864 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.026 -2.618 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.048 -1.927 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.282 -1.105 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.955 -0.124 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.030 -0.982 -9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.679 -0.332 -7.717 1.00 0.00 H new ATOM 825 N VAL A 53 -10.792 -5.424 -7.965 1.00 0.00 N ATOM 826 CA VAL A 53 -11.302 -6.460 -8.914 1.00 0.00 C ATOM 827 C VAL A 53 -12.434 -7.246 -8.256 1.00 0.00 C ATOM 828 O VAL A 53 -12.245 -7.916 -7.266 1.00 0.00 O ATOM 829 CB VAL A 53 -10.114 -7.357 -9.226 1.00 0.00 C ATOM 830 CG1 VAL A 53 -8.995 -6.515 -9.844 1.00 0.00 C ATOM 831 CG2 VAL A 53 -9.604 -8.004 -7.936 1.00 0.00 C ATOM 0 H VAL A 53 -10.756 -5.719 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.706 -6.024 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.421 -8.135 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.141 -7.154 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.354 -6.051 -10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.692 -5.740 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.753 -8.646 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.296 -7.227 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.399 -8.600 -7.489 1.00 0.00 H new ATOM 841 N ALA A 54 -13.619 -7.131 -8.777 1.00 0.00 N ATOM 842 CA ALA A 54 -14.784 -7.823 -8.140 1.00 0.00 C ATOM 843 C ALA A 54 -15.431 -8.877 -9.032 1.00 0.00 C ATOM 844 O ALA A 54 -15.574 -8.698 -10.224 1.00 0.00 O ATOM 845 CB ALA A 54 -15.796 -6.702 -7.902 1.00 0.00 C ATOM 0 H ALA A 54 -13.838 -6.591 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.461 -8.352 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.691 -7.113 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.358 -5.949 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.062 -6.244 -8.854 1.00 0.00 H new ATOM 1164 N VAL A 75 -15.298 -6.646 -3.947 1.00 0.00 N ATOM 1165 CA VAL A 75 -14.210 -6.427 -4.942 1.00 0.00 C ATOM 1166 C VAL A 75 -12.900 -7.018 -4.419 1.00 0.00 C ATOM 1167 O VAL A 75 -12.807 -7.440 -3.282 1.00 0.00 O ATOM 1168 CB VAL A 75 -14.110 -4.903 -5.133 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -13.052 -4.318 -4.192 1.00 0.00 C ATOM 1170 CG2 VAL A 75 -13.710 -4.597 -6.580 1.00 0.00 C ATOM 0 HA VAL A 75 -14.416 -6.918 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 75 -15.079 -4.457 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.992 -3.239 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.327 -4.530 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.083 -4.768 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.639 -3.518 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.745 -5.055 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.462 -5.000 -7.258 1.00 0.00 H new ATOM 1180 N GLY A 76 -11.895 -7.053 -5.241 1.00 0.00 N ATOM 1181 CA GLY A 76 -10.594 -7.617 -4.803 1.00 0.00 C ATOM 1182 C GLY A 76 -9.556 -6.506 -4.810 1.00 0.00 C ATOM 1183 O GLY A 76 -8.582 -6.563 -5.532 1.00 0.00 O ATOM 0 H GLY A 76 -11.918 -6.714 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.684 -8.044 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.288 -8.424 -5.469 1.00 0.00 H new ATOM 1187 N VAL A 77 -9.773 -5.488 -4.018 1.00 0.00 N ATOM 1188 CA VAL A 77 -8.820 -4.338 -3.959 1.00 0.00 C ATOM 1189 C VAL A 77 -7.379 -4.831 -3.930 1.00 0.00 C ATOM 1190 O VAL A 77 -6.772 -4.951 -2.884 1.00 0.00 O ATOM 1191 CB VAL A 77 -9.172 -3.590 -2.662 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -9.304 -4.583 -1.497 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -8.077 -2.566 -2.334 1.00 0.00 C ATOM 0 H VAL A 77 -10.581 -5.403 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.905 -3.693 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.122 -3.074 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.553 -4.042 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.092 -5.302 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.360 -5.110 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.334 -2.041 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.125 -3.080 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.993 -1.849 -3.150 1.00 0.00 H new ATOM 1203 N SER A 78 -6.830 -5.114 -5.074 1.00 0.00 N ATOM 1204 CA SER A 78 -5.426 -5.594 -5.111 1.00 0.00 C ATOM 1205 C SER A 78 -4.464 -4.405 -5.030 1.00 0.00 C ATOM 1206 O SER A 78 -4.865 -3.258 -5.025 1.00 0.00 O ATOM 1207 CB SER A 78 -5.292 -6.320 -6.451 1.00 0.00 C ATOM 1208 OG SER A 78 -3.951 -6.219 -6.916 1.00 0.00 O ATOM 0 H SER A 78 -7.290 -5.034 -5.981 1.00 0.00 H new ATOM 0 HA SER A 78 -5.185 -6.249 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.571 -7.368 -6.338 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.975 -5.886 -7.181 1.00 0.00 H new ATOM 0 HG SER A 78 -3.866 -6.686 -7.773 1.00 0.00 H new ATOM 1214 N VAL A 79 -3.196 -4.690 -4.971 1.00 0.00 N ATOM 1215 CA VAL A 79 -2.152 -3.622 -4.891 1.00 0.00 C ATOM 1216 C VAL A 79 -0.784 -4.294 -4.741 1.00 0.00 C ATOM 1217 O VAL A 79 -0.699 -5.499 -4.598 1.00 0.00 O ATOM 1218 CB VAL A 79 -2.501 -2.814 -3.625 1.00 0.00 C ATOM 1219 CG1 VAL A 79 -2.665 -3.766 -2.437 1.00 0.00 C ATOM 1220 CG2 VAL A 79 -1.385 -1.814 -3.309 1.00 0.00 C ATOM 0 H VAL A 79 -2.826 -5.641 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.120 -2.982 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.431 -2.274 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.912 -3.193 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.466 -4.475 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.734 -4.309 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.645 -1.250 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.451 -2.351 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.264 -1.128 -4.147 1.00 0.00 H new ATOM 1230 N LYS A 80 0.286 -3.538 -4.714 1.00 0.00 N ATOM 1231 CA LYS A 80 1.618 -4.161 -4.509 1.00 0.00 C ATOM 1232 C LYS A 80 2.712 -3.092 -4.415 1.00 0.00 C ATOM 1233 O LYS A 80 2.482 -1.933 -4.688 1.00 0.00 O ATOM 1234 CB LYS A 80 1.846 -5.030 -5.753 1.00 0.00 C ATOM 1235 CG LYS A 80 1.709 -4.171 -7.015 1.00 0.00 C ATOM 1236 CD LYS A 80 2.560 -4.768 -8.139 1.00 0.00 C ATOM 1237 CE LYS A 80 3.794 -3.891 -8.372 1.00 0.00 C ATOM 1238 NZ LYS A 80 3.469 -3.086 -9.583 1.00 0.00 N ATOM 0 H LYS A 80 0.289 -2.524 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 80 1.654 -4.736 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.837 -5.483 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.123 -5.846 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.664 -4.123 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.027 -3.149 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.866 -5.781 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.973 -4.838 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.991 -3.250 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.686 -4.498 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.268 -2.459 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.293 -3.723 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.620 -2.514 -9.402 1.00 0.00 H new ATOM 1252 N PRO A 81 3.879 -3.549 -4.061 1.00 0.00 N ATOM 1253 CA PRO A 81 5.070 -2.693 -3.947 1.00 0.00 C ATOM 1254 C PRO A 81 5.918 -2.772 -5.221 1.00 0.00 C ATOM 1255 O PRO A 81 6.156 -3.839 -5.751 1.00 0.00 O ATOM 1256 CB PRO A 81 5.826 -3.339 -2.796 1.00 0.00 C ATOM 1257 CG PRO A 81 5.389 -4.779 -2.785 1.00 0.00 C ATOM 1258 CD PRO A 81 4.190 -4.912 -3.692 1.00 0.00 C ATOM 0 HA PRO A 81 4.830 -1.640 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.903 -3.257 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.592 -2.851 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.198 -5.425 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.137 -5.092 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.417 -5.521 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.353 -5.388 -3.181 1.00 0.00 H new ATOM 1266 N GLY A 82 6.392 -1.658 -5.696 1.00 0.00 N ATOM 1267 CA GLY A 82 7.250 -1.672 -6.920 1.00 0.00 C ATOM 1268 C GLY A 82 8.718 -1.784 -6.496 1.00 0.00 C ATOM 1269 O GLY A 82 9.021 -2.218 -5.402 1.00 0.00 O ATOM 0 H GLY A 82 6.225 -0.736 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.978 -2.510 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.094 -0.763 -7.500 1.00 0.00 H new ATOM 1273 N GLU A 83 9.632 -1.395 -7.345 1.00 0.00 N ATOM 1274 CA GLU A 83 11.078 -1.479 -6.972 1.00 0.00 C ATOM 1275 C GLU A 83 11.527 -0.188 -6.283 1.00 0.00 C ATOM 1276 O GLU A 83 12.560 -0.147 -5.642 1.00 0.00 O ATOM 1277 CB GLU A 83 11.837 -1.670 -8.288 1.00 0.00 C ATOM 1278 CG GLU A 83 11.674 -0.431 -9.176 1.00 0.00 C ATOM 1279 CD GLU A 83 12.211 -0.733 -10.577 1.00 0.00 C ATOM 1280 OE1 GLU A 83 11.541 -1.447 -11.305 1.00 0.00 O ATOM 1281 OE2 GLU A 83 13.283 -0.246 -10.897 1.00 0.00 O ATOM 0 H GLU A 83 9.443 -1.024 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 83 11.266 -2.297 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.894 -1.845 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.462 -2.551 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.623 -0.146 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.211 0.413 -8.743 1.00 0.00 H new ATOM 1288 N SER A 84 10.765 0.866 -6.411 1.00 0.00 N ATOM 1289 CA SER A 84 11.156 2.152 -5.763 1.00 0.00 C ATOM 1290 C SER A 84 11.416 1.928 -4.271 1.00 0.00 C ATOM 1291 O SER A 84 12.278 2.552 -3.680 1.00 0.00 O ATOM 1292 CB SER A 84 9.967 3.086 -5.975 1.00 0.00 C ATOM 1293 OG SER A 84 10.443 4.388 -6.293 1.00 0.00 O ATOM 0 H SER A 84 9.890 0.892 -6.935 1.00 0.00 H new ATOM 0 HA SER A 84 12.071 2.568 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.334 2.711 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.352 3.121 -5.076 1.00 0.00 H new ATOM 0 HG SER A 84 9.682 4.990 -6.431 1.00 0.00 H new ATOM 1299 N LEU A 85 10.694 1.024 -3.663 1.00 0.00 N ATOM 1300 CA LEU A 85 10.924 0.750 -2.212 1.00 0.00 C ATOM 1301 C LEU A 85 12.043 -0.277 -2.078 1.00 0.00 C ATOM 1302 O LEU A 85 12.787 -0.280 -1.119 1.00 0.00 O ATOM 1303 CB LEU A 85 9.623 0.165 -1.623 1.00 0.00 C ATOM 1304 CG LEU A 85 8.398 0.514 -2.478 1.00 0.00 C ATOM 1305 CD1 LEU A 85 8.034 -0.689 -3.353 1.00 0.00 C ATOM 1306 CD2 LEU A 85 7.219 0.855 -1.561 1.00 0.00 C ATOM 0 H LEU A 85 9.961 0.467 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 85 11.200 1.663 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.715 -0.918 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.480 0.545 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 85 8.624 1.371 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.164 -0.446 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.875 -0.934 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.804 -1.545 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.347 1.103 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.989 -0.003 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.480 1.708 -0.934 1.00 0.00 H new ATOM 1318 N LYS A 86 12.165 -1.154 -3.036 1.00 0.00 N ATOM 1319 CA LYS A 86 13.236 -2.184 -2.962 1.00 0.00 C ATOM 1320 C LYS A 86 14.585 -1.544 -3.229 1.00 0.00 C ATOM 1321 O LYS A 86 15.593 -1.928 -2.668 1.00 0.00 O ATOM 1322 CB LYS A 86 12.902 -3.205 -4.051 1.00 0.00 C ATOM 1323 CG LYS A 86 12.799 -4.603 -3.439 1.00 0.00 C ATOM 1324 CD LYS A 86 12.267 -5.582 -4.487 1.00 0.00 C ATOM 1325 CE LYS A 86 11.464 -6.687 -3.795 1.00 0.00 C ATOM 1326 NZ LYS A 86 10.373 -7.026 -4.751 1.00 0.00 N ATOM 0 H LYS A 86 11.571 -1.201 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 86 13.287 -2.652 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.962 -2.940 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.672 -3.192 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.777 -4.929 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.136 -4.585 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.638 -5.056 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.095 -6.016 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.088 -7.555 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.061 -6.345 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.779 -7.778 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.792 -6.182 -4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.786 -7.355 -5.647 1.00 0.00 H new ATOM 1340 N LYS A 87 14.604 -0.554 -4.061 1.00 0.00 N ATOM 1341 CA LYS A 87 15.878 0.134 -4.346 1.00 0.00 C ATOM 1342 C LYS A 87 16.159 1.076 -3.182 1.00 0.00 C ATOM 1343 O LYS A 87 17.289 1.252 -2.748 1.00 0.00 O ATOM 1344 CB LYS A 87 15.634 0.898 -5.651 1.00 0.00 C ATOM 1345 CG LYS A 87 16.853 1.766 -5.979 1.00 0.00 C ATOM 1346 CD LYS A 87 17.103 1.754 -7.491 1.00 0.00 C ATOM 1347 CE LYS A 87 18.541 1.306 -7.772 1.00 0.00 C ATOM 1348 NZ LYS A 87 19.000 2.170 -8.894 1.00 0.00 N ATOM 0 H LYS A 87 13.790 -0.191 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 87 16.735 -0.531 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.446 0.197 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.746 1.523 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.687 2.787 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.731 1.391 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.400 1.080 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.934 2.748 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.173 1.432 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.580 0.251 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.979 1.923 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.384 2.024 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.958 3.168 -8.603 1.00 0.00 H new ATOM 1362 N ALA A 88 15.121 1.639 -2.630 1.00 0.00 N ATOM 1363 CA ALA A 88 15.315 2.526 -1.463 1.00 0.00 C ATOM 1364 C ALA A 88 15.766 1.665 -0.288 1.00 0.00 C ATOM 1365 O ALA A 88 16.495 2.100 0.590 1.00 0.00 O ATOM 1366 CB ALA A 88 13.938 3.135 -1.192 1.00 0.00 C ATOM 0 H ALA A 88 14.156 1.521 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 88 16.061 3.304 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.000 3.808 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.608 3.692 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.224 2.340 -0.977 1.00 0.00 H new ATOM 1372 N ALA A 89 15.314 0.433 -0.260 1.00 0.00 N ATOM 1373 CA ALA A 89 15.687 -0.461 0.864 1.00 0.00 C ATOM 1374 C ALA A 89 17.156 -0.799 0.738 1.00 0.00 C ATOM 1375 O ALA A 89 17.877 -0.841 1.715 1.00 0.00 O ATOM 1376 CB ALA A 89 14.778 -1.685 0.745 1.00 0.00 C ATOM 0 H ALA A 89 14.707 0.017 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 89 15.553 -0.010 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.004 -2.386 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.736 -1.373 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.945 -2.170 -0.217 1.00 0.00 H new ATOM 1382 N GLU A 90 17.636 -0.945 -0.467 1.00 0.00 N ATOM 1383 CA GLU A 90 19.092 -1.163 -0.629 1.00 0.00 C ATOM 1384 C GLU A 90 19.764 0.067 -0.014 1.00 0.00 C ATOM 1385 O GLU A 90 20.890 0.029 0.441 1.00 0.00 O ATOM 1386 CB GLU A 90 19.337 -1.235 -2.138 1.00 0.00 C ATOM 1387 CG GLU A 90 18.929 -2.616 -2.656 1.00 0.00 C ATOM 1388 CD GLU A 90 19.581 -2.863 -4.017 1.00 0.00 C ATOM 1389 OE1 GLU A 90 20.796 -2.958 -4.062 1.00 0.00 O ATOM 1390 OE2 GLU A 90 18.853 -2.954 -4.993 1.00 0.00 O ATOM 0 H GLU A 90 17.091 -0.923 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 90 19.476 -2.066 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.764 -0.460 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.389 -1.049 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.236 -3.387 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.844 -2.677 -2.744 1.00 0.00 H new ATOM 1397 N GLY A 91 19.030 1.160 0.016 1.00 0.00 N ATOM 1398 CA GLY A 91 19.545 2.416 0.613 1.00 0.00 C ATOM 1399 C GLY A 91 19.785 2.223 2.115 1.00 0.00 C ATOM 1400 O GLY A 91 20.875 2.475 2.593 1.00 0.00 O ATOM 0 H GLY A 91 18.083 1.224 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.474 2.707 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.832 3.224 0.451 1.00 0.00 H new ATOM 1404 N LEU A 92 18.802 1.782 2.887 1.00 0.00 N ATOM 1405 CA LEU A 92 19.089 1.612 4.349 1.00 0.00 C ATOM 1406 C LEU A 92 20.101 0.479 4.543 1.00 0.00 C ATOM 1407 O LEU A 92 21.028 0.589 5.320 1.00 0.00 O ATOM 1408 CB LEU A 92 17.747 1.312 5.042 1.00 0.00 C ATOM 1409 CG LEU A 92 17.325 -0.151 4.842 1.00 0.00 C ATOM 1410 CD1 LEU A 92 18.026 -1.037 5.878 1.00 0.00 C ATOM 1411 CD2 LEU A 92 15.807 -0.274 5.018 1.00 0.00 C ATOM 0 H LEU A 92 17.859 1.544 2.580 1.00 0.00 H new ATOM 0 HA LEU A 92 19.528 2.510 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.831 1.525 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.976 1.972 4.645 1.00 0.00 H new ATOM 0 HG LEU A 92 17.606 -0.472 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.724 -2.074 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.106 -0.953 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.747 -0.715 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.507 -1.312 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.530 0.050 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.303 0.353 4.282 1.00 0.00 H new ATOM 1423 N LYS A 93 19.928 -0.596 3.816 1.00 0.00 N ATOM 1424 CA LYS A 93 20.860 -1.768 3.899 1.00 0.00 C ATOM 1425 C LYS A 93 20.143 -3.020 3.429 1.00 0.00 C ATOM 1426 O LYS A 93 19.707 -3.824 4.241 1.00 0.00 O ATOM 1427 CB LYS A 93 21.251 -1.954 5.379 1.00 0.00 C ATOM 1428 CG LYS A 93 21.697 -3.412 5.639 1.00 0.00 C ATOM 1429 CD LYS A 93 22.896 -3.419 6.592 1.00 0.00 C ATOM 1430 CE LYS A 93 22.776 -4.601 7.557 1.00 0.00 C ATOM 1431 NZ LYS A 93 23.184 -5.794 6.763 1.00 0.00 N ATOM 0 H LYS A 93 19.163 -0.715 3.152 1.00 0.00 H new ATOM 0 HA LYS A 93 21.739 -1.596 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 93 22.058 -1.268 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.405 -1.706 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.874 -3.984 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.964 -3.895 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.824 -3.492 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.936 -2.483 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.420 -4.467 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.756 -4.705 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.550 -6.528 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.361 -6.165 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.926 -5.523 6.086 1.00 0.00 H new ATOM 1445 N TYR A 94 20.029 -3.262 2.156 1.00 0.00 N ATOM 1446 CA TYR A 94 19.369 -4.532 1.814 1.00 0.00 C ATOM 1447 C TYR A 94 20.232 -5.614 2.392 1.00 0.00 C ATOM 1448 O TYR A 94 19.813 -6.319 3.305 1.00 0.00 O ATOM 1449 CB TYR A 94 19.268 -4.712 0.304 1.00 0.00 C ATOM 1450 CG TYR A 94 18.838 -6.155 0.054 1.00 0.00 C ATOM 1451 CD1 TYR A 94 17.795 -6.726 0.815 1.00 0.00 C ATOM 1452 CD2 TYR A 94 19.484 -6.932 -0.914 1.00 0.00 C ATOM 1453 CE1 TYR A 94 17.410 -8.052 0.597 1.00 0.00 C ATOM 1454 CE2 TYR A 94 19.091 -8.259 -1.131 1.00 0.00 C ATOM 1455 CZ TYR A 94 18.054 -8.817 -0.377 1.00 0.00 C ATOM 1456 OH TYR A 94 17.669 -10.123 -0.592 1.00 0.00 O ATOM 0 H TYR A 94 20.344 -2.673 1.385 1.00 0.00 H new ATOM 0 HA TYR A 94 18.354 -4.557 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.545 -4.015 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.226 -4.507 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.293 -6.137 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.288 -6.507 -1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.613 -8.485 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 94 19.590 -8.853 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 94 18.217 -10.513 -1.305 1.00 0.00 H new ATOM 1466 N GLU A 95 21.465 -5.759 1.954 1.00 0.00 N ATOM 1467 CA GLU A 95 22.242 -6.845 2.588 1.00 0.00 C ATOM 1468 C GLU A 95 21.187 -7.558 3.354 1.00 0.00 C ATOM 1469 O GLU A 95 21.341 -7.868 4.515 1.00 0.00 O ATOM 1470 CB GLU A 95 23.271 -6.186 3.507 1.00 0.00 C ATOM 1471 CG GLU A 95 24.240 -5.346 2.673 1.00 0.00 C ATOM 1472 CD GLU A 95 23.646 -3.956 2.440 1.00 0.00 C ATOM 1473 OE1 GLU A 95 23.797 -3.116 3.311 1.00 0.00 O ATOM 1474 OE2 GLU A 95 23.051 -3.755 1.394 1.00 0.00 O ATOM 0 H GLU A 95 21.932 -5.208 1.234 1.00 0.00 H new ATOM 0 HA GLU A 95 22.788 -7.511 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.768 -5.557 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 95 23.819 -6.948 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 95 25.198 -5.262 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 95 24.432 -5.835 1.718 1.00 0.00 H new ATOM 1547 N MET B 1 -4.459 6.730 -10.921 1.00 0.00 N ATOM 1548 CA MET B 1 -3.850 7.967 -10.350 1.00 0.00 C ATOM 1549 C MET B 1 -2.349 7.761 -10.127 1.00 0.00 C ATOM 1550 O MET B 1 -1.805 6.727 -10.462 1.00 0.00 O ATOM 1551 CB MET B 1 -4.566 8.184 -9.016 1.00 0.00 C ATOM 1552 CG MET B 1 -5.837 9.006 -9.243 1.00 0.00 C ATOM 1553 SD MET B 1 -7.151 8.406 -8.153 1.00 0.00 S ATOM 1554 CE MET B 1 -6.524 9.135 -6.621 1.00 0.00 C ATOM 0 H1 MET B 1 -4.701 6.891 -11.920 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.780 5.945 -10.851 1.00 0.00 H new ATOM 0 H3 MET B 1 -5.321 6.491 -10.391 1.00 0.00 H new ATOM 0 HA MET B 1 -3.959 8.825 -11.013 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.818 7.223 -8.566 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.907 8.700 -8.318 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.640 10.060 -9.046 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.151 8.929 -10.284 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.353 9.559 -6.054 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.033 8.365 -6.026 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.808 9.921 -6.859 1.00 0.00 H new ATOM 1566 N ASN B 2 -1.669 8.732 -9.562 1.00 0.00 N ATOM 1567 CA ASN B 2 -0.206 8.568 -9.328 1.00 0.00 C ATOM 1568 C ASN B 2 0.361 9.726 -8.499 1.00 0.00 C ATOM 1569 O ASN B 2 -0.359 10.421 -7.812 1.00 0.00 O ATOM 1570 CB ASN B 2 0.423 8.551 -10.725 1.00 0.00 C ATOM 1571 CG ASN B 2 1.614 7.592 -10.747 1.00 0.00 C ATOM 1572 OD1 ASN B 2 2.527 7.720 -9.955 1.00 0.00 O ATOM 1573 ND2 ASN B 2 1.644 6.630 -11.628 1.00 0.00 N ATOM 0 H ASN B 2 -2.063 9.622 -9.257 1.00 0.00 H new ATOM 0 HA ASN B 2 0.008 7.659 -8.766 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -0.317 8.242 -11.463 1.00 0.00 H new ATOM 0 HB3 ASN B 2 0.748 9.555 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN B 2 2.434 5.985 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN B 2 0.878 6.523 -12.292 1.00 0.00 H new ATOM 1580 N LYS B 3 1.655 9.937 -8.565 1.00 0.00 N ATOM 1581 CA LYS B 3 2.281 11.050 -7.787 1.00 0.00 C ATOM 1582 C LYS B 3 1.652 12.399 -8.184 1.00 0.00 C ATOM 1583 O LYS B 3 1.919 13.415 -7.575 1.00 0.00 O ATOM 1584 CB LYS B 3 3.777 11.017 -8.154 1.00 0.00 C ATOM 1585 CG LYS B 3 4.612 10.618 -6.924 1.00 0.00 C ATOM 1586 CD LYS B 3 6.075 11.053 -7.112 1.00 0.00 C ATOM 1587 CE LYS B 3 7.015 10.143 -6.295 1.00 0.00 C ATOM 1588 NZ LYS B 3 8.086 9.740 -7.251 1.00 0.00 N ATOM 0 H LYS B 3 2.304 9.385 -9.125 1.00 0.00 H new ATOM 0 HA LYS B 3 2.129 10.934 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.946 10.307 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.093 11.995 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS B 3 4.199 11.083 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.562 9.539 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.342 11.008 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.197 12.089 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.430 10.672 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.484 9.274 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 8.490 8.829 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 7.683 9.646 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.833 10.463 -7.260 1.00 0.00 H new ATOM 1602 N THR B 4 0.818 12.417 -9.200 1.00 0.00 N ATOM 1603 CA THR B 4 0.175 13.700 -9.631 1.00 0.00 C ATOM 1604 C THR B 4 -1.341 13.618 -9.457 1.00 0.00 C ATOM 1605 O THR B 4 -1.971 14.507 -8.907 1.00 0.00 O ATOM 1606 CB THR B 4 0.520 13.836 -11.114 1.00 0.00 C ATOM 1607 OG1 THR B 4 1.929 13.929 -11.266 1.00 0.00 O ATOM 1608 CG2 THR B 4 -0.146 15.091 -11.684 1.00 0.00 C ATOM 0 H THR B 4 0.556 11.598 -9.748 1.00 0.00 H new ATOM 0 HA THR B 4 0.524 14.549 -9.043 1.00 0.00 H new ATOM 0 HB THR B 4 0.156 12.961 -11.653 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.151 14.014 -12.217 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.101 15.186 -12.741 1.00 0.00 H new ATOM 0 HG22 THR B 4 -1.227 15.013 -11.570 1.00 0.00 H new ATOM 0 HG23 THR B 4 0.213 15.969 -11.147 1.00 0.00 H new ATOM 1616 N GLU B 5 -1.938 12.561 -9.924 1.00 0.00 N ATOM 1617 CA GLU B 5 -3.412 12.432 -9.782 1.00 0.00 C ATOM 1618 C GLU B 5 -3.766 12.412 -8.297 1.00 0.00 C ATOM 1619 O GLU B 5 -4.570 13.198 -7.829 1.00 0.00 O ATOM 1620 CB GLU B 5 -3.784 11.115 -10.458 1.00 0.00 C ATOM 1621 CG GLU B 5 -3.205 11.075 -11.877 1.00 0.00 C ATOM 1622 CD GLU B 5 -4.250 10.508 -12.841 1.00 0.00 C ATOM 1623 OE1 GLU B 5 -5.373 10.985 -12.814 1.00 0.00 O ATOM 1624 OE2 GLU B 5 -3.909 9.608 -13.590 1.00 0.00 O ATOM 0 H GLU B 5 -1.473 11.785 -10.395 1.00 0.00 H new ATOM 0 HA GLU B 5 -3.954 13.261 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.401 10.277 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.868 11.009 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.913 12.077 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -2.305 10.460 -11.897 1.00 0.00 H new ATOM 1631 N LEU B 6 -3.147 11.544 -7.540 1.00 0.00 N ATOM 1632 CA LEU B 6 -3.437 11.517 -6.077 1.00 0.00 C ATOM 1633 C LEU B 6 -3.080 12.875 -5.476 1.00 0.00 C ATOM 1634 O LEU B 6 -3.669 13.312 -4.502 1.00 0.00 O ATOM 1635 CB LEU B 6 -2.550 10.413 -5.498 1.00 0.00 C ATOM 1636 CG LEU B 6 -3.238 9.057 -5.677 1.00 0.00 C ATOM 1637 CD1 LEU B 6 -2.218 8.021 -6.160 1.00 0.00 C ATOM 1638 CD2 LEU B 6 -3.833 8.606 -4.340 1.00 0.00 C ATOM 0 H LEU B 6 -2.463 10.862 -7.866 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.487 11.324 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.582 10.410 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.362 10.600 -4.441 1.00 0.00 H new ATOM 0 HG LEU B 6 -4.034 9.150 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.711 7.057 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.797 8.341 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -1.419 7.927 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -4.323 7.641 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.038 8.515 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -4.562 9.341 -4.000 1.00 0.00 H new ATOM 1650 N ILE B 7 -2.141 13.568 -6.071 1.00 0.00 N ATOM 1651 CA ILE B 7 -1.784 14.914 -5.551 1.00 0.00 C ATOM 1652 C ILE B 7 -3.055 15.746 -5.536 1.00 0.00 C ATOM 1653 O ILE B 7 -3.492 16.216 -4.507 1.00 0.00 O ATOM 1654 CB ILE B 7 -0.748 15.469 -6.538 1.00 0.00 C ATOM 1655 CG1 ILE B 7 0.642 15.332 -5.926 1.00 0.00 C ATOM 1656 CG2 ILE B 7 -1.034 16.945 -6.836 1.00 0.00 C ATOM 1657 CD1 ILE B 7 1.675 16.004 -6.831 1.00 0.00 C ATOM 0 H ILE B 7 -1.613 13.259 -6.887 1.00 0.00 H new ATOM 0 HA ILE B 7 -1.372 14.910 -4.542 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.803 14.908 -7.471 1.00 0.00 H new ATOM 0 HG12 ILE B 7 0.660 15.789 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.890 14.279 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.291 17.325 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -2.028 17.042 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.986 17.519 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.666 15.903 -6.389 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.665 15.528 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.432 17.061 -6.939 1.00 0.00 H new ATOM 1669 N LYS B 8 -3.669 15.890 -6.675 1.00 0.00 N ATOM 1670 CA LYS B 8 -4.943 16.651 -6.734 1.00 0.00 C ATOM 1671 C LYS B 8 -5.919 16.024 -5.737 1.00 0.00 C ATOM 1672 O LYS B 8 -6.731 16.704 -5.144 1.00 0.00 O ATOM 1673 CB LYS B 8 -5.436 16.520 -8.186 1.00 0.00 C ATOM 1674 CG LYS B 8 -6.716 15.675 -8.252 1.00 0.00 C ATOM 1675 CD LYS B 8 -7.076 15.405 -9.713 1.00 0.00 C ATOM 1676 CE LYS B 8 -6.061 14.432 -10.312 1.00 0.00 C ATOM 1677 NZ LYS B 8 -5.850 14.905 -11.708 1.00 0.00 N ATOM 0 H LYS B 8 -3.344 15.514 -7.566 1.00 0.00 H new ATOM 0 HA LYS B 8 -4.838 17.704 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -5.626 17.510 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -4.660 16.061 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -6.570 14.733 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.534 16.196 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.081 14.988 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.079 16.338 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -5.128 14.438 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.437 13.409 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -5.164 14.285 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -6.753 14.882 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -5.485 15.879 -11.693 1.00 0.00 H new ATOM 1691 N ALA B 9 -5.828 14.729 -5.525 1.00 0.00 N ATOM 1692 CA ALA B 9 -6.739 14.082 -4.541 1.00 0.00 C ATOM 1693 C ALA B 9 -6.559 14.754 -3.182 1.00 0.00 C ATOM 1694 O ALA B 9 -7.512 14.975 -2.464 1.00 0.00 O ATOM 1695 CB ALA B 9 -6.309 12.620 -4.483 1.00 0.00 C ATOM 0 H ALA B 9 -5.168 14.104 -5.988 1.00 0.00 H new ATOM 0 HA ALA B 9 -7.789 14.169 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -6.940 12.083 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -6.410 12.172 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -5.269 12.559 -4.161 1.00 0.00 H new ATOM 1701 N ILE B 10 -5.348 15.126 -2.838 1.00 0.00 N ATOM 1702 CA ILE B 10 -5.133 15.825 -1.557 1.00 0.00 C ATOM 1703 C ILE B 10 -5.209 17.314 -1.850 1.00 0.00 C ATOM 1704 O ILE B 10 -5.568 18.113 -1.021 1.00 0.00 O ATOM 1705 CB ILE B 10 -3.732 15.388 -1.091 1.00 0.00 C ATOM 1706 CG1 ILE B 10 -3.868 14.353 0.026 1.00 0.00 C ATOM 1707 CG2 ILE B 10 -2.930 16.587 -0.571 1.00 0.00 C ATOM 1708 CD1 ILE B 10 -4.492 13.074 -0.535 1.00 0.00 C ATOM 0 H ILE B 10 -4.509 14.970 -3.396 1.00 0.00 H new ATOM 0 HA ILE B 10 -5.864 15.598 -0.781 1.00 0.00 H new ATOM 0 HB ILE B 10 -3.204 14.957 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -2.890 14.135 0.455 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.488 14.750 0.830 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -1.944 16.253 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -2.820 17.324 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.455 17.038 0.271 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -4.589 12.337 0.262 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -5.477 13.299 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -3.855 12.674 -1.324 1.00 0.00 H new ATOM 1720 N ALA B 11 -4.917 17.693 -3.045 1.00 0.00 N ATOM 1721 CA ALA B 11 -5.031 19.122 -3.378 1.00 0.00 C ATOM 1722 C ALA B 11 -6.519 19.456 -3.548 1.00 0.00 C ATOM 1723 O ALA B 11 -6.893 20.589 -3.777 1.00 0.00 O ATOM 1724 CB ALA B 11 -4.255 19.273 -4.685 1.00 0.00 C ATOM 0 H ALA B 11 -4.607 17.083 -3.801 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.636 19.795 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.287 20.313 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -3.219 18.973 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.705 18.640 -5.450 1.00 0.00 H new ATOM 1730 N GLN B 12 -7.372 18.462 -3.422 1.00 0.00 N ATOM 1731 CA GLN B 12 -8.833 18.692 -3.556 1.00 0.00 C ATOM 1732 C GLN B 12 -9.560 18.172 -2.309 1.00 0.00 C ATOM 1733 O GLN B 12 -10.440 18.827 -1.786 1.00 0.00 O ATOM 1734 CB GLN B 12 -9.241 17.911 -4.811 1.00 0.00 C ATOM 1735 CG GLN B 12 -10.766 17.836 -4.917 1.00 0.00 C ATOM 1736 CD GLN B 12 -11.337 19.244 -5.097 1.00 0.00 C ATOM 1737 OE1 GLN B 12 -10.920 19.975 -5.975 1.00 0.00 O ATOM 1738 NE2 GLN B 12 -12.281 19.659 -4.298 1.00 0.00 N ATOM 0 H GLN B 12 -7.107 17.496 -3.230 1.00 0.00 H new ATOM 0 HA GLN B 12 -9.090 19.748 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -8.831 18.395 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.822 16.905 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -11.052 17.206 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -11.181 17.376 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -12.631 19.047 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.669 20.596 -4.410 1.00 0.00 H new ATOM 1747 N ASP B 13 -9.177 17.026 -1.799 1.00 0.00 N ATOM 1748 CA ASP B 13 -9.840 16.526 -0.556 1.00 0.00 C ATOM 1749 C ASP B 13 -9.352 17.396 0.591 1.00 0.00 C ATOM 1750 O ASP B 13 -9.987 17.546 1.617 1.00 0.00 O ATOM 1751 CB ASP B 13 -9.355 15.089 -0.372 1.00 0.00 C ATOM 1752 CG ASP B 13 -10.035 14.181 -1.400 1.00 0.00 C ATOM 1753 OD1 ASP B 13 -9.918 14.464 -2.581 1.00 0.00 O ATOM 1754 OD2 ASP B 13 -10.664 13.221 -0.988 1.00 0.00 O ATOM 0 H ASP B 13 -8.447 16.425 -2.182 1.00 0.00 H new ATOM 0 HA ASP B 13 -10.929 16.560 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -8.272 15.042 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -9.581 14.745 0.637 1.00 0.00 H new ATOM 1759 N THR B 14 -8.209 17.974 0.384 1.00 0.00 N ATOM 1760 CA THR B 14 -7.583 18.861 1.380 1.00 0.00 C ATOM 1761 C THR B 14 -7.784 20.311 0.904 1.00 0.00 C ATOM 1762 O THR B 14 -8.465 21.097 1.535 1.00 0.00 O ATOM 1763 CB THR B 14 -6.121 18.406 1.337 1.00 0.00 C ATOM 1764 OG1 THR B 14 -6.038 17.227 0.551 1.00 0.00 O ATOM 1765 CG2 THR B 14 -5.626 18.058 2.723 1.00 0.00 C ATOM 0 H THR B 14 -7.665 17.860 -0.471 1.00 0.00 H new ATOM 0 HA THR B 14 -7.982 18.818 2.393 1.00 0.00 H new ATOM 0 HB THR B 14 -5.519 19.215 0.923 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.835 16.462 1.129 1.00 0.00 H new ATOM 0 HG21 THR B 14 -4.586 17.738 2.668 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.702 18.934 3.367 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.233 17.251 3.134 1.00 0.00 H new ATOM 1773 N GLY B 15 -7.238 20.646 -0.238 1.00 0.00 N ATOM 1774 CA GLY B 15 -7.427 22.016 -0.818 1.00 0.00 C ATOM 1775 C GLY B 15 -7.075 23.106 0.191 1.00 0.00 C ATOM 1776 O GLY B 15 -7.537 24.227 0.093 1.00 0.00 O ATOM 0 H GLY B 15 -6.661 20.022 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -6.803 22.125 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -8.462 22.137 -1.139 1.00 0.00 H new ATOM 1780 N LEU B 16 -6.256 22.796 1.145 1.00 0.00 N ATOM 1781 CA LEU B 16 -5.862 23.828 2.154 1.00 0.00 C ATOM 1782 C LEU B 16 -4.977 24.876 1.503 1.00 0.00 C ATOM 1783 O LEU B 16 -5.360 26.012 1.312 1.00 0.00 O ATOM 1784 CB LEU B 16 -5.061 23.082 3.216 1.00 0.00 C ATOM 1785 CG LEU B 16 -5.965 22.088 3.920 1.00 0.00 C ATOM 1786 CD1 LEU B 16 -5.770 20.709 3.313 1.00 0.00 C ATOM 1787 CD2 LEU B 16 -5.608 22.037 5.412 1.00 0.00 C ATOM 0 H LEU B 16 -5.837 21.875 1.278 1.00 0.00 H new ATOM 0 HA LEU B 16 -6.733 24.332 2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -4.220 22.563 2.756 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -4.646 23.787 3.936 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.003 22.398 3.802 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.419 19.994 3.818 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -6.020 20.740 2.252 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -4.731 20.403 3.432 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.258 21.323 5.917 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -4.569 21.727 5.527 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.743 23.025 5.852 1.00 0.00 H new ATOM 1799 N THR B 17 -3.788 24.486 1.168 1.00 0.00 N ATOM 1800 CA THR B 17 -2.838 25.420 0.533 1.00 0.00 C ATOM 1801 C THR B 17 -2.113 24.707 -0.603 1.00 0.00 C ATOM 1802 O THR B 17 -1.166 25.223 -1.163 1.00 0.00 O ATOM 1803 CB THR B 17 -1.858 25.786 1.658 1.00 0.00 C ATOM 1804 OG1 THR B 17 -1.517 27.163 1.560 1.00 0.00 O ATOM 1805 CG2 THR B 17 -0.585 24.935 1.559 1.00 0.00 C ATOM 0 H THR B 17 -3.430 23.542 1.311 1.00 0.00 H new ATOM 0 HA THR B 17 -3.318 26.301 0.107 1.00 0.00 H new ATOM 0 HB THR B 17 -2.336 25.591 2.618 1.00 0.00 H new ATOM 0 HG1 THR B 17 -0.893 27.397 2.278 1.00 0.00 H new ATOM 0 HG21 THR B 17 0.098 25.207 2.363 1.00 0.00 H new ATOM 0 HG22 THR B 17 -0.845 23.880 1.645 1.00 0.00 H new ATOM 0 HG23 THR B 17 -0.103 25.112 0.598 1.00 0.00 H new ATOM 1813 N GLN B 18 -2.504 23.493 -0.903 1.00 0.00 N ATOM 1814 CA GLN B 18 -1.770 22.729 -1.943 1.00 0.00 C ATOM 1815 C GLN B 18 -0.326 22.662 -1.485 1.00 0.00 C ATOM 1816 O GLN B 18 0.591 22.567 -2.275 1.00 0.00 O ATOM 1817 CB GLN B 18 -1.914 23.518 -3.249 1.00 0.00 C ATOM 1818 CG GLN B 18 -3.375 23.928 -3.435 1.00 0.00 C ATOM 1819 CD GLN B 18 -3.586 24.446 -4.860 1.00 0.00 C ATOM 1820 OE1 GLN B 18 -3.538 23.688 -5.807 1.00 0.00 O ATOM 1821 NE2 GLN B 18 -3.818 25.716 -5.050 1.00 0.00 N ATOM 0 H GLN B 18 -3.292 23.007 -0.475 1.00 0.00 H new ATOM 0 HA GLN B 18 -2.144 21.717 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -1.277 24.402 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -1.585 22.911 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.029 23.077 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.641 24.700 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -3.858 26.352 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -3.959 26.073 -5.995 1.00 0.00 H new ATOM 1830 N VAL B 19 -0.152 22.722 -0.178 1.00 0.00 N ATOM 1831 CA VAL B 19 1.200 22.680 0.451 1.00 0.00 C ATOM 1832 C VAL B 19 2.256 22.552 -0.649 1.00 0.00 C ATOM 1833 O VAL B 19 2.605 23.524 -1.291 1.00 0.00 O ATOM 1834 CB VAL B 19 1.114 21.475 1.433 1.00 0.00 C ATOM 1835 CG1 VAL B 19 0.399 20.278 0.794 1.00 0.00 C ATOM 1836 CG2 VAL B 19 2.493 21.022 1.916 1.00 0.00 C ATOM 0 H VAL B 19 -0.919 22.800 0.490 1.00 0.00 H new ATOM 0 HA VAL B 19 1.493 23.575 1.001 1.00 0.00 H new ATOM 0 HB VAL B 19 0.540 21.829 2.289 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.357 19.455 1.508 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -0.614 20.567 0.513 1.00 0.00 H new ATOM 0 HG13 VAL B 19 0.945 19.960 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL B 19 2.381 20.179 2.598 1.00 0.00 H new ATOM 0 HG22 VAL B 19 3.096 20.718 1.061 1.00 0.00 H new ATOM 0 HG23 VAL B 19 2.986 21.845 2.434 1.00 0.00 H new ATOM 1846 N SER B 20 2.701 21.382 -0.926 1.00 0.00 N ATOM 1847 CA SER B 20 3.647 21.179 -2.031 1.00 0.00 C ATOM 1848 C SER B 20 3.137 19.993 -2.814 1.00 0.00 C ATOM 1849 O SER B 20 3.895 19.327 -3.461 1.00 0.00 O ATOM 1850 CB SER B 20 5.008 20.885 -1.412 1.00 0.00 C ATOM 1851 OG SER B 20 5.071 19.517 -1.051 1.00 0.00 O ATOM 0 H SER B 20 2.444 20.534 -0.421 1.00 0.00 H new ATOM 0 HA SER B 20 3.738 22.043 -2.689 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.802 21.123 -2.120 1.00 0.00 H new ATOM 0 HB3 SER B 20 5.165 21.512 -0.535 1.00 0.00 H new ATOM 0 HG SER B 20 4.217 19.243 -0.656 1.00 0.00 H new ATOM 1857 N VAL B 21 1.849 19.706 -2.710 1.00 0.00 N ATOM 1858 CA VAL B 21 1.217 18.533 -3.393 1.00 0.00 C ATOM 1859 C VAL B 21 2.219 17.810 -4.266 1.00 0.00 C ATOM 1860 O VAL B 21 2.286 16.600 -4.310 1.00 0.00 O ATOM 1861 CB VAL B 21 0.101 19.140 -4.239 1.00 0.00 C ATOM 1862 CG1 VAL B 21 -0.951 19.776 -3.325 1.00 0.00 C ATOM 1863 CG2 VAL B 21 0.676 20.207 -5.177 1.00 0.00 C ATOM 0 H VAL B 21 1.195 20.262 -2.158 1.00 0.00 H new ATOM 0 HA VAL B 21 0.846 17.794 -2.683 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.362 18.353 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -1.746 20.209 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -1.370 19.014 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -0.486 20.558 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.127 20.635 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.147 20.994 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.417 19.752 -5.834 1.00 0.00 H new ATOM 1873 N SER B 22 3.035 18.563 -4.905 1.00 0.00 N ATOM 1874 CA SER B 22 4.098 17.957 -5.757 1.00 0.00 C ATOM 1875 C SER B 22 5.171 17.358 -4.857 1.00 0.00 C ATOM 1876 O SER B 22 5.628 16.254 -5.067 1.00 0.00 O ATOM 1877 CB SER B 22 4.653 19.107 -6.592 1.00 0.00 C ATOM 1878 OG SER B 22 5.980 18.798 -7.002 1.00 0.00 O ATOM 0 H SER B 22 3.024 19.583 -4.884 1.00 0.00 H new ATOM 0 HA SER B 22 3.728 17.157 -6.398 1.00 0.00 H new ATOM 0 HB2 SER B 22 4.021 19.275 -7.464 1.00 0.00 H new ATOM 0 HB3 SER B 22 4.646 20.029 -6.011 1.00 0.00 H new ATOM 0 HG SER B 22 6.336 19.536 -7.540 1.00 0.00 H new ATOM 1884 N LYS B 23 5.555 18.074 -3.841 1.00 0.00 N ATOM 1885 CA LYS B 23 6.571 17.562 -2.900 1.00 0.00 C ATOM 1886 C LYS B 23 5.888 16.764 -1.788 1.00 0.00 C ATOM 1887 O LYS B 23 6.461 15.849 -1.243 1.00 0.00 O ATOM 1888 CB LYS B 23 7.240 18.811 -2.335 1.00 0.00 C ATOM 1889 CG LYS B 23 8.708 18.843 -2.750 1.00 0.00 C ATOM 1890 CD LYS B 23 9.393 20.080 -2.153 1.00 0.00 C ATOM 1891 CE LYS B 23 9.008 20.231 -0.676 1.00 0.00 C ATOM 1892 NZ LYS B 23 10.111 21.026 -0.068 1.00 0.00 N ATOM 0 H LYS B 23 5.200 19.005 -3.624 1.00 0.00 H new ATOM 0 HA LYS B 23 7.291 16.896 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS B 23 6.730 19.704 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS B 23 7.160 18.818 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS B 23 9.211 17.938 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS B 23 8.787 18.862 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS B 23 10.475 19.988 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS B 23 9.099 20.972 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS B 23 8.050 20.739 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS B 23 8.910 19.259 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 9.918 21.170 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 11.010 20.515 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 10.177 21.949 -0.543 1.00 0.00 H new ATOM 1906 N MET B 24 4.663 17.093 -1.445 1.00 0.00 N ATOM 1907 CA MET B 24 3.967 16.355 -0.389 1.00 0.00 C ATOM 1908 C MET B 24 3.790 14.894 -0.819 1.00 0.00 C ATOM 1909 O MET B 24 4.007 13.987 -0.040 1.00 0.00 O ATOM 1910 CB MET B 24 2.655 17.116 -0.273 1.00 0.00 C ATOM 1911 CG MET B 24 1.850 16.587 0.891 1.00 0.00 C ATOM 1912 SD MET B 24 0.739 15.261 0.349 1.00 0.00 S ATOM 1913 CE MET B 24 0.586 15.769 -1.381 1.00 0.00 C ATOM 0 H MET B 24 4.127 17.851 -1.867 1.00 0.00 H new ATOM 0 HA MET B 24 4.487 16.302 0.568 1.00 0.00 H new ATOM 0 HB2 MET B 24 2.853 18.179 -0.135 1.00 0.00 H new ATOM 0 HB3 MET B 24 2.084 17.015 -1.196 1.00 0.00 H new ATOM 0 HG2 MET B 24 2.521 16.213 1.664 1.00 0.00 H new ATOM 0 HG3 MET B 24 1.270 17.395 1.336 1.00 0.00 H new ATOM 0 HE1 MET B 24 -0.279 15.279 -1.829 1.00 0.00 H new ATOM 0 HE2 MET B 24 0.458 16.850 -1.433 1.00 0.00 H new ATOM 0 HE3 MET B 24 1.487 15.484 -1.925 1.00 0.00 H new ATOM 1923 N LEU B 25 3.447 14.647 -2.064 1.00 0.00 N ATOM 1924 CA LEU B 25 3.326 13.232 -2.516 1.00 0.00 C ATOM 1925 C LEU B 25 4.705 12.737 -2.917 1.00 0.00 C ATOM 1926 O LEU B 25 5.123 11.662 -2.537 1.00 0.00 O ATOM 1927 CB LEU B 25 2.402 13.240 -3.730 1.00 0.00 C ATOM 1928 CG LEU B 25 0.927 13.325 -3.310 1.00 0.00 C ATOM 1929 CD1 LEU B 25 0.075 12.531 -4.299 1.00 0.00 C ATOM 1930 CD2 LEU B 25 0.709 12.735 -1.910 1.00 0.00 C ATOM 0 H LEU B 25 3.250 15.354 -2.772 1.00 0.00 H new ATOM 0 HA LEU B 25 2.930 12.583 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.649 14.086 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.563 12.336 -4.318 1.00 0.00 H new ATOM 0 HG LEU B 25 0.641 14.377 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.973 12.589 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.194 12.948 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.395 11.489 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.345 12.811 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.010 11.687 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.307 13.287 -1.185 1.00 0.00 H new ATOM 1942 N ALA B 26 5.433 13.532 -3.662 1.00 0.00 N ATOM 1943 CA ALA B 26 6.805 13.116 -4.056 1.00 0.00 C ATOM 1944 C ALA B 26 7.561 12.749 -2.789 1.00 0.00 C ATOM 1945 O ALA B 26 8.350 11.829 -2.769 1.00 0.00 O ATOM 1946 CB ALA B 26 7.434 14.331 -4.736 1.00 0.00 C ATOM 0 H ALA B 26 5.135 14.443 -4.010 1.00 0.00 H new ATOM 0 HA ALA B 26 6.819 12.258 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.449 14.087 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA B 26 6.841 14.608 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.462 15.166 -4.036 1.00 0.00 H new ATOM 1952 N SER B 27 7.283 13.444 -1.716 1.00 0.00 N ATOM 1953 CA SER B 27 7.944 13.118 -0.428 1.00 0.00 C ATOM 1954 C SER B 27 7.255 11.901 0.174 1.00 0.00 C ATOM 1955 O SER B 27 7.896 11.025 0.701 1.00 0.00 O ATOM 1956 CB SER B 27 7.754 14.338 0.472 1.00 0.00 C ATOM 1957 OG SER B 27 8.530 15.419 -0.030 1.00 0.00 O ATOM 0 H SER B 27 6.625 14.223 -1.681 1.00 0.00 H new ATOM 0 HA SER B 27 9.003 12.891 -0.549 1.00 0.00 H new ATOM 0 HB2 SER B 27 6.701 14.617 0.508 1.00 0.00 H new ATOM 0 HB3 SER B 27 8.056 14.102 1.492 1.00 0.00 H new ATOM 0 HG SER B 27 7.970 15.986 -0.600 1.00 0.00 H new ATOM 1963 N PHE B 28 5.949 11.836 0.080 1.00 0.00 N ATOM 1964 CA PHE B 28 5.215 10.658 0.641 1.00 0.00 C ATOM 1965 C PHE B 28 5.628 9.401 -0.110 1.00 0.00 C ATOM 1966 O PHE B 28 5.769 8.347 0.457 1.00 0.00 O ATOM 1967 CB PHE B 28 3.728 10.965 0.435 1.00 0.00 C ATOM 1968 CG PHE B 28 2.964 9.732 -0.031 1.00 0.00 C ATOM 1969 CD1 PHE B 28 2.520 8.774 0.894 1.00 0.00 C ATOM 1970 CD2 PHE B 28 2.660 9.572 -1.391 1.00 0.00 C ATOM 1971 CE1 PHE B 28 1.783 7.671 0.457 1.00 0.00 C ATOM 1972 CE2 PHE B 28 1.914 8.474 -1.820 1.00 0.00 C ATOM 1973 CZ PHE B 28 1.476 7.523 -0.896 1.00 0.00 C ATOM 0 H PHE B 28 5.361 12.545 -0.359 1.00 0.00 H new ATOM 0 HA PHE B 28 5.434 10.489 1.695 1.00 0.00 H new ATOM 0 HB2 PHE B 28 3.298 11.330 1.368 1.00 0.00 H new ATOM 0 HB3 PHE B 28 3.618 11.762 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE B 28 2.748 8.890 1.943 1.00 0.00 H new ATOM 0 HD2 PHE B 28 3.005 10.302 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE B 28 1.450 6.930 1.169 1.00 0.00 H new ATOM 0 HE2 PHE B 28 1.675 8.359 -2.867 1.00 0.00 H new ATOM 0 HZ PHE B 28 0.899 6.673 -1.229 1.00 0.00 H new ATOM 1983 N GLU B 29 5.849 9.511 -1.375 1.00 0.00 N ATOM 1984 CA GLU B 29 6.278 8.336 -2.146 1.00 0.00 C ATOM 1985 C GLU B 29 7.763 8.184 -1.955 1.00 0.00 C ATOM 1986 O GLU B 29 8.296 7.096 -1.888 1.00 0.00 O ATOM 1987 CB GLU B 29 5.888 8.673 -3.571 1.00 0.00 C ATOM 1988 CG GLU B 29 4.451 8.214 -3.735 1.00 0.00 C ATOM 1989 CD GLU B 29 3.639 9.258 -4.500 1.00 0.00 C ATOM 1990 OE1 GLU B 29 3.710 10.418 -4.134 1.00 0.00 O ATOM 1991 OE2 GLU B 29 2.958 8.878 -5.438 1.00 0.00 O ATOM 0 H GLU B 29 5.750 10.372 -1.912 1.00 0.00 H new ATOM 0 HA GLU B 29 5.828 7.389 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.979 9.743 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.542 8.169 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU B 29 4.425 7.263 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU B 29 4.004 8.043 -2.756 1.00 0.00 H new ATOM 1998 N LYS B 30 8.419 9.284 -1.792 1.00 0.00 N ATOM 1999 CA LYS B 30 9.865 9.230 -1.517 1.00 0.00 C ATOM 2000 C LYS B 30 10.043 8.723 -0.088 1.00 0.00 C ATOM 2001 O LYS B 30 11.013 8.101 0.214 1.00 0.00 O ATOM 2002 CB LYS B 30 10.381 10.663 -1.658 1.00 0.00 C ATOM 2003 CG LYS B 30 11.827 10.746 -1.160 1.00 0.00 C ATOM 2004 CD LYS B 30 12.345 12.178 -1.323 1.00 0.00 C ATOM 2005 CE LYS B 30 13.012 12.635 -0.024 1.00 0.00 C ATOM 2006 NZ LYS B 30 14.260 11.827 0.073 1.00 0.00 N ATOM 0 H LYS B 30 8.016 10.220 -1.837 1.00 0.00 H new ATOM 0 HA LYS B 30 10.408 8.570 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS B 30 10.327 10.978 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.750 11.344 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS B 30 11.880 10.446 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS B 30 12.456 10.055 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS B 30 13.058 12.226 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.522 12.846 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS B 30 13.233 13.702 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS B 30 12.363 12.463 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 14.920 12.285 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 14.030 10.874 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.702 11.757 -0.866 1.00 0.00 H new ATOM 2020 N ILE B 31 9.091 8.964 0.789 1.00 0.00 N ATOM 2021 CA ILE B 31 9.227 8.464 2.189 1.00 0.00 C ATOM 2022 C ILE B 31 8.524 7.127 2.330 1.00 0.00 C ATOM 2023 O ILE B 31 8.930 6.282 3.088 1.00 0.00 O ATOM 2024 CB ILE B 31 8.600 9.508 3.096 1.00 0.00 C ATOM 2025 CG1 ILE B 31 7.144 9.745 2.737 1.00 0.00 C ATOM 2026 CG2 ILE B 31 9.391 10.809 2.990 1.00 0.00 C ATOM 2027 CD1 ILE B 31 6.257 9.165 3.841 1.00 0.00 C ATOM 0 H ILE B 31 8.234 9.482 0.593 1.00 0.00 H new ATOM 0 HA ILE B 31 10.273 8.311 2.457 1.00 0.00 H new ATOM 0 HB ILE B 31 8.632 9.143 4.123 1.00 0.00 H new ATOM 0 HG12 ILE B 31 6.953 10.812 2.623 1.00 0.00 H new ATOM 0 HG13 ILE B 31 6.911 9.276 1.781 1.00 0.00 H new ATOM 0 HG21 ILE B 31 8.943 11.561 3.640 1.00 0.00 H new ATOM 0 HG22 ILE B 31 10.423 10.633 3.295 1.00 0.00 H new ATOM 0 HG23 ILE B 31 9.373 11.163 1.959 1.00 0.00 H new ATOM 0 HD11 ILE B 31 5.209 9.331 3.591 1.00 0.00 H new ATOM 0 HD12 ILE B 31 6.443 8.095 3.933 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.486 9.655 4.787 1.00 0.00 H new ATOM 2039 N ILE B 32 7.493 6.910 1.579 1.00 0.00 N ATOM 2040 CA ILE B 32 6.812 5.587 1.647 1.00 0.00 C ATOM 2041 C ILE B 32 7.819 4.560 1.191 1.00 0.00 C ATOM 2042 O ILE B 32 8.228 3.671 1.923 1.00 0.00 O ATOM 2043 CB ILE B 32 5.658 5.627 0.638 1.00 0.00 C ATOM 2044 CG1 ILE B 32 4.473 6.390 1.235 1.00 0.00 C ATOM 2045 CG2 ILE B 32 5.222 4.194 0.293 1.00 0.00 C ATOM 2046 CD1 ILE B 32 3.668 5.482 2.166 1.00 0.00 C ATOM 0 H ILE B 32 7.090 7.580 0.924 1.00 0.00 H new ATOM 0 HA ILE B 32 6.443 5.355 2.646 1.00 0.00 H new ATOM 0 HB ILE B 32 5.994 6.133 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE B 32 4.832 7.259 1.786 1.00 0.00 H new ATOM 0 HG13 ILE B 32 3.832 6.762 0.436 1.00 0.00 H new ATOM 0 HG21 ILE B 32 4.402 4.226 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE B 32 6.063 3.652 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE B 32 4.892 3.686 1.199 1.00 0.00 H new ATOM 0 HD11 ILE B 32 2.829 6.040 2.582 1.00 0.00 H new ATOM 0 HD12 ILE B 32 3.292 4.627 1.605 1.00 0.00 H new ATOM 0 HD13 ILE B 32 4.308 5.132 2.976 1.00 0.00 H new ATOM 2058 N THR B 33 8.232 4.711 -0.033 1.00 0.00 N ATOM 2059 CA THR B 33 9.225 3.790 -0.595 1.00 0.00 C ATOM 2060 C THR B 33 10.483 3.837 0.267 1.00 0.00 C ATOM 2061 O THR B 33 11.113 2.834 0.524 1.00 0.00 O ATOM 2062 CB THR B 33 9.487 4.300 -2.024 1.00 0.00 C ATOM 2063 OG1 THR B 33 9.337 3.228 -2.935 1.00 0.00 O ATOM 2064 CG2 THR B 33 10.900 4.871 -2.148 1.00 0.00 C ATOM 0 H THR B 33 7.914 5.444 -0.667 1.00 0.00 H new ATOM 0 HA THR B 33 8.892 2.752 -0.616 1.00 0.00 H new ATOM 0 HB THR B 33 8.771 5.091 -2.248 1.00 0.00 H new ATOM 0 HG1 THR B 33 8.404 3.177 -3.229 1.00 0.00 H new ATOM 0 HG21 THR B 33 11.061 5.225 -3.166 1.00 0.00 H new ATOM 0 HG22 THR B 33 11.019 5.701 -1.452 1.00 0.00 H new ATOM 0 HG23 THR B 33 11.628 4.094 -1.914 1.00 0.00 H new ATOM 2072 N GLU B 34 10.851 5.013 0.702 1.00 0.00 N ATOM 2073 CA GLU B 34 12.076 5.160 1.532 1.00 0.00 C ATOM 2074 C GLU B 34 11.880 4.632 2.955 1.00 0.00 C ATOM 2075 O GLU B 34 12.705 3.902 3.437 1.00 0.00 O ATOM 2076 CB GLU B 34 12.354 6.658 1.556 1.00 0.00 C ATOM 2077 CG GLU B 34 13.068 7.062 0.255 1.00 0.00 C ATOM 2078 CD GLU B 34 14.490 6.496 0.251 1.00 0.00 C ATOM 2079 OE1 GLU B 34 15.273 6.911 1.088 1.00 0.00 O ATOM 2080 OE2 GLU B 34 14.772 5.660 -0.591 1.00 0.00 O ATOM 0 H GLU B 34 10.350 5.882 0.515 1.00 0.00 H new ATOM 0 HA GLU B 34 12.901 4.582 1.117 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.421 7.211 1.659 1.00 0.00 H new ATOM 0 HB3 GLU B 34 12.972 6.911 2.418 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.515 6.688 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU B 34 13.098 8.148 0.167 1.00 0.00 H new ATOM 2087 N THR B 35 10.820 4.990 3.647 1.00 0.00 N ATOM 2088 CA THR B 35 10.663 4.486 5.052 1.00 0.00 C ATOM 2089 C THR B 35 10.806 2.982 5.094 1.00 0.00 C ATOM 2090 O THR B 35 11.685 2.467 5.756 1.00 0.00 O ATOM 2091 CB THR B 35 9.277 4.899 5.538 1.00 0.00 C ATOM 2092 OG1 THR B 35 9.179 6.317 5.549 1.00 0.00 O ATOM 2093 CG2 THR B 35 9.077 4.351 6.957 1.00 0.00 C ATOM 0 H THR B 35 10.072 5.596 3.309 1.00 0.00 H new ATOM 0 HA THR B 35 11.435 4.909 5.694 1.00 0.00 H new ATOM 0 HB THR B 35 8.510 4.499 4.874 1.00 0.00 H new ATOM 0 HG1 THR B 35 9.144 6.650 4.628 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.090 4.637 7.322 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.158 3.264 6.942 1.00 0.00 H new ATOM 0 HG23 THR B 35 9.841 4.762 7.617 1.00 0.00 H new ATOM 2101 N VAL B 36 9.984 2.263 4.389 1.00 0.00 N ATOM 2102 CA VAL B 36 10.151 0.787 4.405 1.00 0.00 C ATOM 2103 C VAL B 36 11.607 0.501 4.084 1.00 0.00 C ATOM 2104 O VAL B 36 12.275 -0.294 4.713 1.00 0.00 O ATOM 2105 CB VAL B 36 9.239 0.271 3.289 1.00 0.00 C ATOM 2106 CG1 VAL B 36 9.949 -0.817 2.471 1.00 0.00 C ATOM 2107 CG2 VAL B 36 7.965 -0.296 3.909 1.00 0.00 C ATOM 0 H VAL B 36 9.221 2.621 3.815 1.00 0.00 H new ATOM 0 HA VAL B 36 9.900 0.319 5.357 1.00 0.00 H new ATOM 0 HB VAL B 36 8.991 1.096 2.621 1.00 0.00 H new ATOM 0 HG11 VAL B 36 9.285 -1.171 1.683 1.00 0.00 H new ATOM 0 HG12 VAL B 36 10.854 -0.404 2.025 1.00 0.00 H new ATOM 0 HG13 VAL B 36 10.213 -1.649 3.124 1.00 0.00 H new ATOM 0 HG21 VAL B 36 7.310 -0.666 3.120 1.00 0.00 H new ATOM 0 HG22 VAL B 36 8.221 -1.115 4.582 1.00 0.00 H new ATOM 0 HG23 VAL B 36 7.453 0.487 4.469 1.00 0.00 H new ATOM 2117 N ALA B 37 12.087 1.177 3.096 1.00 0.00 N ATOM 2118 CA ALA B 37 13.486 0.999 2.679 1.00 0.00 C ATOM 2119 C ALA B 37 14.425 1.849 3.535 1.00 0.00 C ATOM 2120 O ALA B 37 15.619 1.855 3.321 1.00 0.00 O ATOM 2121 CB ALA B 37 13.488 1.477 1.246 1.00 0.00 C ATOM 0 H ALA B 37 11.559 1.858 2.550 1.00 0.00 H new ATOM 0 HA ALA B 37 13.833 -0.028 2.788 1.00 0.00 H new ATOM 0 HB1 ALA B 37 14.493 1.387 0.834 1.00 0.00 H new ATOM 0 HB2 ALA B 37 12.799 0.870 0.659 1.00 0.00 H new ATOM 0 HB3 ALA B 37 13.173 2.520 1.210 1.00 0.00 H new ATOM 2127 N LYS B 38 13.906 2.560 4.504 1.00 0.00 N ATOM 2128 CA LYS B 38 14.791 3.389 5.374 1.00 0.00 C ATOM 2129 C LYS B 38 14.879 2.730 6.733 1.00 0.00 C ATOM 2130 O LYS B 38 15.923 2.699 7.355 1.00 0.00 O ATOM 2131 CB LYS B 38 14.134 4.766 5.487 1.00 0.00 C ATOM 2132 CG LYS B 38 15.137 5.762 6.077 1.00 0.00 C ATOM 2133 CD LYS B 38 15.055 7.087 5.312 1.00 0.00 C ATOM 2134 CE LYS B 38 15.493 6.872 3.861 1.00 0.00 C ATOM 2135 NZ LYS B 38 16.937 7.232 3.838 1.00 0.00 N ATOM 0 H LYS B 38 12.912 2.602 4.729 1.00 0.00 H new ATOM 0 HA LYS B 38 15.798 3.484 4.968 1.00 0.00 H new ATOM 0 HB2 LYS B 38 13.803 5.105 4.505 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.248 4.708 6.119 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.923 5.926 7.133 1.00 0.00 H new ATOM 0 HG3 LYS B 38 16.147 5.357 6.015 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.036 7.473 5.341 1.00 0.00 H new ATOM 0 HD3 LYS B 38 15.692 7.833 5.788 1.00 0.00 H new ATOM 0 HE2 LYS B 38 15.339 5.838 3.551 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.919 7.499 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 17.310 7.110 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 17.052 8.223 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 17.459 6.615 4.492 1.00 0.00 H new ATOM 2149 N GLY B 39 13.793 2.179 7.190 1.00 0.00 N ATOM 2150 CA GLY B 39 13.832 1.499 8.497 1.00 0.00 C ATOM 2151 C GLY B 39 12.514 1.671 9.251 1.00 0.00 C ATOM 2152 O GLY B 39 12.508 1.892 10.446 1.00 0.00 O ATOM 0 H GLY B 39 12.890 2.173 6.715 1.00 0.00 H new ATOM 0 HA2 GLY B 39 14.035 0.438 8.352 1.00 0.00 H new ATOM 0 HA3 GLY B 39 14.650 1.901 9.094 1.00 0.00 H new ATOM 2156 N ASP B 40 11.397 1.561 8.583 1.00 0.00 N ATOM 2157 CA ASP B 40 10.102 1.709 9.307 1.00 0.00 C ATOM 2158 C ASP B 40 8.955 1.115 8.486 1.00 0.00 C ATOM 2159 O ASP B 40 8.762 1.445 7.333 1.00 0.00 O ATOM 2160 CB ASP B 40 9.918 3.215 9.500 1.00 0.00 C ATOM 2161 CG ASP B 40 10.252 3.591 10.945 1.00 0.00 C ATOM 2162 OD1 ASP B 40 9.657 3.014 11.839 1.00 0.00 O ATOM 2163 OD2 ASP B 40 11.098 4.451 11.132 1.00 0.00 O ATOM 0 H ASP B 40 11.325 1.378 7.582 1.00 0.00 H new ATOM 0 HA ASP B 40 10.103 1.180 10.260 1.00 0.00 H new ATOM 0 HB2 ASP B 40 10.564 3.762 8.813 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.892 3.499 9.267 1.00 0.00 H new ATOM 2168 N LYS B 41 8.194 0.240 9.085 1.00 0.00 N ATOM 2169 CA LYS B 41 7.053 -0.386 8.364 1.00 0.00 C ATOM 2170 C LYS B 41 5.986 0.669 8.090 1.00 0.00 C ATOM 2171 O LYS B 41 5.059 0.845 8.855 1.00 0.00 O ATOM 2172 CB LYS B 41 6.515 -1.459 9.313 1.00 0.00 C ATOM 2173 CG LYS B 41 7.609 -2.497 9.593 1.00 0.00 C ATOM 2174 CD LYS B 41 8.070 -2.386 11.051 1.00 0.00 C ATOM 2175 CE LYS B 41 8.020 -3.765 11.712 1.00 0.00 C ATOM 2176 NZ LYS B 41 7.967 -3.490 13.175 1.00 0.00 N ATOM 0 H LYS B 41 8.316 -0.069 10.049 1.00 0.00 H new ATOM 0 HA LYS B 41 7.348 -0.812 7.405 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.187 -1.001 10.246 1.00 0.00 H new ATOM 0 HB3 LYS B 41 5.644 -1.944 8.873 1.00 0.00 H new ATOM 0 HG2 LYS B 41 7.230 -3.500 9.397 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.453 -2.339 8.922 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.084 -1.988 11.093 1.00 0.00 H new ATOM 0 HD3 LYS B 41 7.431 -1.689 11.593 1.00 0.00 H new ATOM 0 HE2 LYS B 41 7.146 -4.328 11.384 1.00 0.00 H new ATOM 0 HE3 LYS B 41 8.897 -4.359 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.931 -4.389 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 8.815 -2.959 13.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 7.118 -2.930 13.392 1.00 0.00 H new ATOM 2190 N VAL B 42 6.116 1.373 7.004 1.00 0.00 N ATOM 2191 CA VAL B 42 5.111 2.427 6.675 1.00 0.00 C ATOM 2192 C VAL B 42 3.733 1.786 6.494 1.00 0.00 C ATOM 2193 O VAL B 42 3.570 0.861 5.721 1.00 0.00 O ATOM 2194 CB VAL B 42 5.598 3.061 5.369 1.00 0.00 C ATOM 2195 CG1 VAL B 42 5.656 2.001 4.267 1.00 0.00 C ATOM 2196 CG2 VAL B 42 4.635 4.175 4.953 1.00 0.00 C ATOM 0 H VAL B 42 6.873 1.267 6.328 1.00 0.00 H new ATOM 0 HA VAL B 42 5.016 3.173 7.464 1.00 0.00 H new ATOM 0 HB VAL B 42 6.594 3.476 5.521 1.00 0.00 H new ATOM 0 HG11 VAL B 42 6.003 2.458 3.340 1.00 0.00 H new ATOM 0 HG12 VAL B 42 6.344 1.208 4.561 1.00 0.00 H new ATOM 0 HG13 VAL B 42 4.662 1.580 4.114 1.00 0.00 H new ATOM 0 HG21 VAL B 42 4.981 4.627 4.023 1.00 0.00 H new ATOM 0 HG22 VAL B 42 3.639 3.758 4.805 1.00 0.00 H new ATOM 0 HG23 VAL B 42 4.598 4.935 5.734 1.00 0.00 H new ATOM 2206 N GLN B 43 2.743 2.259 7.204 1.00 0.00 N ATOM 2207 CA GLN B 43 1.386 1.658 7.068 1.00 0.00 C ATOM 2208 C GLN B 43 0.341 2.751 6.869 1.00 0.00 C ATOM 2209 O GLN B 43 0.624 3.927 6.974 1.00 0.00 O ATOM 2210 CB GLN B 43 1.129 0.923 8.389 1.00 0.00 C ATOM 2211 CG GLN B 43 2.345 0.070 8.760 1.00 0.00 C ATOM 2212 CD GLN B 43 1.878 -1.256 9.363 1.00 0.00 C ATOM 2213 OE1 GLN B 43 0.860 -1.311 10.025 1.00 0.00 O ATOM 2214 NE2 GLN B 43 2.582 -2.336 9.161 1.00 0.00 N ATOM 0 H GLN B 43 2.815 3.030 7.868 1.00 0.00 H new ATOM 0 HA GLN B 43 1.326 0.989 6.209 1.00 0.00 H new ATOM 0 HB2 GLN B 43 0.924 1.643 9.181 1.00 0.00 H new ATOM 0 HB3 GLN B 43 0.246 0.291 8.297 1.00 0.00 H new ATOM 0 HG2 GLN B 43 2.955 -0.116 7.876 1.00 0.00 H new ATOM 0 HG3 GLN B 43 2.973 0.604 9.473 1.00 0.00 H new ATOM 0 HE21 GLN B 43 3.436 -2.291 8.606 1.00 0.00 H new ATOM 0 HE22 GLN B 43 2.278 -3.225 9.558 1.00 0.00 H new ATOM 2223 N LEU B 44 -0.867 2.366 6.581 1.00 0.00 N ATOM 2224 CA LEU B 44 -1.949 3.366 6.378 1.00 0.00 C ATOM 2225 C LEU B 44 -3.219 2.900 7.090 1.00 0.00 C ATOM 2226 O LEU B 44 -3.742 1.848 6.787 1.00 0.00 O ATOM 2227 CB LEU B 44 -2.183 3.400 4.872 1.00 0.00 C ATOM 2228 CG LEU B 44 -0.906 3.818 4.143 1.00 0.00 C ATOM 2229 CD1 LEU B 44 -1.000 3.440 2.659 1.00 0.00 C ATOM 2230 CD2 LEU B 44 -0.739 5.330 4.261 1.00 0.00 C ATOM 0 H LEU B 44 -1.155 1.393 6.476 1.00 0.00 H new ATOM 0 HA LEU B 44 -1.685 4.347 6.774 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -2.502 2.417 4.525 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.987 4.097 4.638 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.053 3.308 4.590 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.086 3.742 2.148 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.129 2.362 2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -1.852 3.948 2.208 1.00 0.00 H new ATOM 0 HD21 LEU B 44 0.170 5.637 3.744 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.598 5.827 3.811 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.669 5.607 5.313 1.00 0.00 H new ATOM 2242 N THR B 45 -3.720 3.675 8.027 1.00 0.00 N ATOM 2243 CA THR B 45 -4.970 3.287 8.773 1.00 0.00 C ATOM 2244 C THR B 45 -5.039 1.762 8.969 1.00 0.00 C ATOM 2245 O THR B 45 -4.505 1.226 9.921 1.00 0.00 O ATOM 2246 CB THR B 45 -6.163 3.803 7.929 1.00 0.00 C ATOM 2247 OG1 THR B 45 -7.279 2.940 8.099 1.00 0.00 O ATOM 2248 CG2 THR B 45 -5.803 3.872 6.435 1.00 0.00 C ATOM 0 H THR B 45 -3.315 4.567 8.311 1.00 0.00 H new ATOM 0 HA THR B 45 -4.987 3.725 9.771 1.00 0.00 H new ATOM 0 HB THR B 45 -6.408 4.808 8.273 1.00 0.00 H new ATOM 0 HG1 THR B 45 -8.032 3.270 7.566 1.00 0.00 H new ATOM 0 HG21 THR B 45 -6.661 4.238 5.871 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.961 4.550 6.295 1.00 0.00 H new ATOM 0 HG23 THR B 45 -5.532 2.878 6.080 1.00 0.00 H new ATOM 2256 N GLY B 46 -5.680 1.066 8.070 1.00 0.00 N ATOM 2257 CA GLY B 46 -5.777 -0.413 8.183 1.00 0.00 C ATOM 2258 C GLY B 46 -6.096 -0.978 6.802 1.00 0.00 C ATOM 2259 O GLY B 46 -6.749 -1.995 6.670 1.00 0.00 O ATOM 0 H GLY B 46 -6.145 1.465 7.254 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -4.841 -0.828 8.556 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -6.554 -0.689 8.895 1.00 0.00 H new ATOM 2263 N PHE B 47 -5.645 -0.315 5.768 1.00 0.00 N ATOM 2264 CA PHE B 47 -5.928 -0.800 4.390 1.00 0.00 C ATOM 2265 C PHE B 47 -4.627 -0.988 3.595 1.00 0.00 C ATOM 2266 O PHE B 47 -4.559 -1.816 2.709 1.00 0.00 O ATOM 2267 CB PHE B 47 -6.890 0.248 3.795 1.00 0.00 C ATOM 2268 CG PHE B 47 -6.170 1.356 3.062 1.00 0.00 C ATOM 2269 CD1 PHE B 47 -5.086 2.016 3.639 1.00 0.00 C ATOM 2270 CD2 PHE B 47 -6.618 1.741 1.797 1.00 0.00 C ATOM 2271 CE1 PHE B 47 -4.456 3.046 2.946 1.00 0.00 C ATOM 2272 CE2 PHE B 47 -5.987 2.771 1.113 1.00 0.00 C ATOM 2273 CZ PHE B 47 -4.901 3.421 1.691 1.00 0.00 C ATOM 0 H PHE B 47 -5.093 0.541 5.822 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.390 -1.787 4.365 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.579 -0.246 3.110 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -7.491 0.679 4.596 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -4.736 1.729 4.620 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.460 1.235 1.348 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.614 3.556 3.391 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -6.338 3.067 0.135 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.405 4.219 1.159 1.00 0.00 H new ATOM 2283 N LEU B 48 -3.586 -0.266 3.919 1.00 0.00 N ATOM 2284 CA LEU B 48 -2.300 -0.464 3.194 1.00 0.00 C ATOM 2285 C LEU B 48 -1.148 -0.626 4.186 1.00 0.00 C ATOM 2286 O LEU B 48 -0.521 0.330 4.596 1.00 0.00 O ATOM 2287 CB LEU B 48 -2.116 0.773 2.332 1.00 0.00 C ATOM 2288 CG LEU B 48 -2.747 0.543 0.955 1.00 0.00 C ATOM 2289 CD1 LEU B 48 -2.383 1.708 0.039 1.00 0.00 C ATOM 2290 CD2 LEU B 48 -2.220 -0.764 0.348 1.00 0.00 C ATOM 0 H LEU B 48 -3.572 0.446 4.649 1.00 0.00 H new ATOM 0 HA LEU B 48 -2.312 -1.367 2.584 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.577 1.635 2.814 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.055 0.997 2.223 1.00 0.00 H new ATOM 0 HG LEU B 48 -3.830 0.476 1.061 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -2.829 1.551 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.761 2.638 0.465 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.299 1.768 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -2.674 -0.920 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -1.137 -0.705 0.240 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -2.474 -1.598 1.002 1.00 0.00 H new ATOM 2302 N ASN B 49 -0.874 -1.845 4.573 1.00 0.00 N ATOM 2303 CA ASN B 49 0.233 -2.103 5.544 1.00 0.00 C ATOM 2304 C ASN B 49 1.505 -2.535 4.805 1.00 0.00 C ATOM 2305 O ASN B 49 1.738 -3.709 4.592 1.00 0.00 O ATOM 2306 CB ASN B 49 -0.281 -3.242 6.426 1.00 0.00 C ATOM 2307 CG ASN B 49 -0.741 -2.682 7.774 1.00 0.00 C ATOM 2308 OD1 ASN B 49 -0.471 -3.260 8.809 1.00 0.00 O ATOM 2309 ND2 ASN B 49 -1.428 -1.573 7.807 1.00 0.00 N ATOM 0 H ASN B 49 -1.372 -2.677 4.257 1.00 0.00 H new ATOM 0 HA ASN B 49 0.490 -1.215 6.121 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -1.108 -3.753 5.932 1.00 0.00 H new ATOM 0 HB3 ASN B 49 0.506 -3.981 6.578 1.00 0.00 H new ATOM 0 HD21 ASN B 49 -1.738 -1.192 8.701 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -1.655 -1.088 6.939 1.00 0.00 H new ATOM 2316 N ILE B 50 2.324 -1.597 4.412 1.00 0.00 N ATOM 2317 CA ILE B 50 3.582 -1.949 3.682 1.00 0.00 C ATOM 2318 C ILE B 50 4.684 -2.364 4.661 1.00 0.00 C ATOM 2319 O ILE B 50 4.770 -1.858 5.762 1.00 0.00 O ATOM 2320 CB ILE B 50 3.996 -0.667 2.958 1.00 0.00 C ATOM 2321 CG1 ILE B 50 2.867 -0.218 2.015 1.00 0.00 C ATOM 2322 CG2 ILE B 50 5.288 -0.929 2.171 1.00 0.00 C ATOM 2323 CD1 ILE B 50 3.376 -0.114 0.574 1.00 0.00 C ATOM 0 H ILE B 50 2.178 -0.599 4.564 1.00 0.00 H new ATOM 0 HA ILE B 50 3.426 -2.785 3.001 1.00 0.00 H new ATOM 0 HB ILE B 50 4.177 0.128 3.681 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.041 -0.928 2.064 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.478 0.747 2.339 1.00 0.00 H new ATOM 0 HG21 ILE B 50 5.589 -0.019 1.652 1.00 0.00 H new ATOM 0 HG22 ILE B 50 6.077 -1.233 2.858 1.00 0.00 H new ATOM 0 HG23 ILE B 50 5.116 -1.722 1.443 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.562 0.205 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.186 0.614 0.526 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.743 -1.087 0.247 1.00 0.00 H new ATOM 2335 N LYS B 51 5.542 -3.270 4.260 1.00 0.00 N ATOM 2336 CA LYS B 51 6.654 -3.695 5.176 1.00 0.00 C ATOM 2337 C LYS B 51 7.741 -4.447 4.387 1.00 0.00 C ATOM 2338 O LYS B 51 7.435 -5.337 3.625 1.00 0.00 O ATOM 2339 CB LYS B 51 5.998 -4.621 6.206 1.00 0.00 C ATOM 2340 CG LYS B 51 5.176 -5.701 5.494 1.00 0.00 C ATOM 2341 CD LYS B 51 4.743 -6.765 6.505 1.00 0.00 C ATOM 2342 CE LYS B 51 5.688 -7.966 6.422 1.00 0.00 C ATOM 2343 NZ LYS B 51 4.814 -9.157 6.620 1.00 0.00 N ATOM 0 H LYS B 51 5.525 -3.731 3.350 1.00 0.00 H new ATOM 0 HA LYS B 51 7.141 -2.843 5.650 1.00 0.00 H new ATOM 0 HB2 LYS B 51 6.763 -5.086 6.828 1.00 0.00 H new ATOM 0 HB3 LYS B 51 5.356 -4.042 6.870 1.00 0.00 H new ATOM 0 HG2 LYS B 51 4.300 -5.255 5.023 1.00 0.00 H new ATOM 0 HG3 LYS B 51 5.767 -6.158 4.700 1.00 0.00 H new ATOM 0 HD2 LYS B 51 4.754 -6.350 7.513 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.720 -7.080 6.301 1.00 0.00 H new ATOM 0 HE2 LYS B 51 6.195 -8.004 5.458 1.00 0.00 H new ATOM 0 HE3 LYS B 51 6.462 -7.913 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 5.390 -10.022 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.350 -9.097 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.091 -9.185 5.873 1.00 0.00 H new ATOM 2357 N PRO B 52 8.986 -4.060 4.582 1.00 0.00 N ATOM 2358 CA PRO B 52 10.099 -4.710 3.854 1.00 0.00 C ATOM 2359 C PRO B 52 10.569 -5.982 4.539 1.00 0.00 C ATOM 2360 O PRO B 52 10.563 -6.102 5.749 1.00 0.00 O ATOM 2361 CB PRO B 52 11.202 -3.664 3.877 1.00 0.00 C ATOM 2362 CG PRO B 52 10.925 -2.809 5.074 1.00 0.00 C ATOM 2363 CD PRO B 52 9.474 -3.003 5.475 1.00 0.00 C ATOM 0 HA PRO B 52 9.802 -5.014 2.850 1.00 0.00 H new ATOM 0 HB2 PRO B 52 12.184 -4.132 3.949 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.198 -3.071 2.963 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.586 -3.082 5.897 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.118 -1.761 4.845 1.00 0.00 H new ATOM 0 HD2 PRO B 52 9.387 -3.295 6.521 1.00 0.00 H new ATOM 0 HD3 PRO B 52 8.902 -2.084 5.352 1.00 0.00 H new ATOM 2371 N VAL B 53 10.996 -6.928 3.752 1.00 0.00 N ATOM 2372 CA VAL B 53 11.499 -8.206 4.313 1.00 0.00 C ATOM 2373 C VAL B 53 12.626 -8.759 3.443 1.00 0.00 C ATOM 2374 O VAL B 53 12.446 -9.064 2.281 1.00 0.00 O ATOM 2375 CB VAL B 53 10.297 -9.146 4.337 1.00 0.00 C ATOM 2376 CG1 VAL B 53 9.174 -8.513 5.166 1.00 0.00 C ATOM 2377 CG2 VAL B 53 9.799 -9.376 2.910 1.00 0.00 C ATOM 0 H VAL B 53 11.017 -6.867 2.734 1.00 0.00 H new ATOM 0 HA VAL B 53 11.916 -8.081 5.312 1.00 0.00 H new ATOM 0 HB VAL B 53 10.590 -10.098 4.779 1.00 0.00 H new ATOM 0 HG11 VAL B 53 8.314 -9.182 5.185 1.00 0.00 H new ATOM 0 HG12 VAL B 53 9.524 -8.344 6.184 1.00 0.00 H new ATOM 0 HG13 VAL B 53 8.884 -7.562 4.719 1.00 0.00 H new ATOM 0 HG21 VAL B 53 8.941 -10.047 2.928 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.505 -8.423 2.469 1.00 0.00 H new ATOM 0 HG23 VAL B 53 10.596 -9.821 2.314 1.00 0.00 H new ATOM 2387 N ALA B 54 13.790 -8.868 4.007 1.00 0.00 N ATOM 2388 CA ALA B 54 14.969 -9.370 3.239 1.00 0.00 C ATOM 2389 C ALA B 54 14.666 -10.696 2.535 1.00 0.00 C ATOM 2390 O ALA B 54 14.166 -11.634 3.125 1.00 0.00 O ATOM 2391 CB ALA B 54 16.076 -9.547 4.281 1.00 0.00 C ATOM 0 H ALA B 54 13.983 -8.629 4.980 1.00 0.00 H new ATOM 0 HA ALA B 54 15.253 -8.676 2.448 1.00 0.00 H new ATOM 0 HB1 ALA B 54 16.979 -9.915 3.794 1.00 0.00 H new ATOM 0 HB2 ALA B 54 16.285 -8.589 4.756 1.00 0.00 H new ATOM 0 HB3 ALA B 54 15.754 -10.264 5.036 1.00 0.00 H new ATOM 2710 N VAL B 75 15.521 -6.643 -0.873 1.00 0.00 N ATOM 2711 CA VAL B 75 14.562 -6.621 0.276 1.00 0.00 C ATOM 2712 C VAL B 75 13.159 -6.998 -0.206 1.00 0.00 C ATOM 2713 O VAL B 75 12.913 -7.082 -1.393 1.00 0.00 O ATOM 2714 CB VAL B 75 14.588 -5.175 0.772 1.00 0.00 C ATOM 2715 CG1 VAL B 75 14.099 -4.246 -0.344 1.00 0.00 C ATOM 2716 CG2 VAL B 75 13.675 -5.031 1.993 1.00 0.00 C ATOM 0 HA VAL B 75 14.830 -7.329 1.060 1.00 0.00 H new ATOM 0 HB VAL B 75 15.607 -4.907 1.051 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.117 -3.214 0.007 1.00 0.00 H new ATOM 0 HG12 VAL B 75 14.751 -4.345 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL B 75 13.081 -4.517 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.696 -3.999 2.344 1.00 0.00 H new ATOM 0 HG22 VAL B 75 12.655 -5.300 1.718 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.023 -5.691 2.787 1.00 0.00 H new ATOM 2726 N GLY B 76 12.236 -7.223 0.692 1.00 0.00 N ATOM 2727 CA GLY B 76 10.865 -7.588 0.242 1.00 0.00 C ATOM 2728 C GLY B 76 9.864 -6.545 0.733 1.00 0.00 C ATOM 2729 O GLY B 76 9.069 -6.803 1.612 1.00 0.00 O ATOM 0 H GLY B 76 12.370 -7.171 1.702 1.00 0.00 H new ATOM 0 HA2 GLY B 76 10.834 -7.651 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY B 76 10.596 -8.572 0.626 1.00 0.00 H new ATOM 2733 N VAL B 77 9.894 -5.368 0.167 1.00 0.00 N ATOM 2734 CA VAL B 77 8.932 -4.307 0.598 1.00 0.00 C ATOM 2735 C VAL B 77 7.502 -4.794 0.391 1.00 0.00 C ATOM 2736 O VAL B 77 6.842 -4.425 -0.555 1.00 0.00 O ATOM 2737 CB VAL B 77 9.232 -3.095 -0.292 1.00 0.00 C ATOM 2738 CG1 VAL B 77 9.238 -3.523 -1.765 1.00 0.00 C ATOM 2739 CG2 VAL B 77 8.159 -2.018 -0.076 1.00 0.00 C ATOM 0 H VAL B 77 10.540 -5.094 -0.573 1.00 0.00 H new ATOM 0 HA VAL B 77 9.036 -4.056 1.654 1.00 0.00 H new ATOM 0 HB VAL B 77 10.210 -2.691 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL B 77 9.452 -2.659 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL B 77 10.004 -4.283 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL B 77 8.263 -3.932 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL B 77 8.374 -1.158 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.180 -2.423 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL B 77 8.160 -1.708 0.969 1.00 0.00 H new ATOM 2749 N SER B 78 7.029 -5.630 1.267 1.00 0.00 N ATOM 2750 CA SER B 78 5.648 -6.158 1.119 1.00 0.00 C ATOM 2751 C SER B 78 4.604 -5.074 1.408 1.00 0.00 C ATOM 2752 O SER B 78 4.915 -3.955 1.766 1.00 0.00 O ATOM 2753 CB SER B 78 5.544 -7.285 2.145 1.00 0.00 C ATOM 2754 OG SER B 78 4.830 -8.374 1.577 1.00 0.00 O ATOM 0 H SER B 78 7.540 -5.972 2.081 1.00 0.00 H new ATOM 0 HA SER B 78 5.457 -6.502 0.102 1.00 0.00 H new ATOM 0 HB2 SER B 78 6.540 -7.608 2.450 1.00 0.00 H new ATOM 0 HB3 SER B 78 5.036 -6.930 3.041 1.00 0.00 H new ATOM 0 HG SER B 78 4.763 -9.099 2.233 1.00 0.00 H new ATOM 2760 N VAL B 79 3.365 -5.430 1.251 1.00 0.00 N ATOM 2761 CA VAL B 79 2.224 -4.496 1.497 1.00 0.00 C ATOM 2762 C VAL B 79 0.928 -5.230 1.129 1.00 0.00 C ATOM 2763 O VAL B 79 0.969 -6.339 0.633 1.00 0.00 O ATOM 2764 CB VAL B 79 2.474 -3.295 0.559 1.00 0.00 C ATOM 2765 CG1 VAL B 79 2.901 -3.793 -0.826 1.00 0.00 C ATOM 2766 CG2 VAL B 79 1.204 -2.449 0.415 1.00 0.00 C ATOM 0 H VAL B 79 3.081 -6.363 0.952 1.00 0.00 H new ATOM 0 HA VAL B 79 2.142 -4.163 2.532 1.00 0.00 H new ATOM 0 HB VAL B 79 3.265 -2.683 0.993 1.00 0.00 H new ATOM 0 HG11 VAL B 79 3.075 -2.940 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL B 79 3.818 -4.375 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.114 -4.419 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL B 79 1.401 -1.608 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.404 -3.061 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL B 79 0.903 -2.075 1.394 1.00 0.00 H new ATOM 2776 N LYS B 80 -0.216 -4.627 1.326 1.00 0.00 N ATOM 2777 CA LYS B 80 -1.481 -5.304 0.941 1.00 0.00 C ATOM 2778 C LYS B 80 -2.677 -4.375 1.180 1.00 0.00 C ATOM 2779 O LYS B 80 -2.540 -3.312 1.748 1.00 0.00 O ATOM 2780 CB LYS B 80 -1.570 -6.528 1.863 1.00 0.00 C ATOM 2781 CG LYS B 80 -1.513 -6.076 3.325 1.00 0.00 C ATOM 2782 CD LYS B 80 -1.675 -7.290 4.243 1.00 0.00 C ATOM 2783 CE LYS B 80 -3.155 -7.481 4.579 1.00 0.00 C ATOM 2784 NZ LYS B 80 -3.179 -8.549 5.616 1.00 0.00 N ATOM 0 H LYS B 80 -0.325 -3.699 1.735 1.00 0.00 H new ATOM 0 HA LYS B 80 -1.495 -5.578 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -2.497 -7.070 1.676 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -0.750 -7.215 1.652 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -0.564 -5.579 3.526 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -2.301 -5.350 3.523 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -1.284 -8.183 3.755 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -1.099 -7.148 5.157 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -3.597 -6.558 4.953 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -3.725 -7.774 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -4.162 -8.737 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -2.758 -9.418 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -2.634 -8.239 6.446 1.00 0.00 H new ATOM 2798 N PRO B 81 -3.818 -4.839 0.757 1.00 0.00 N ATOM 2799 CA PRO B 81 -5.077 -4.103 0.930 1.00 0.00 C ATOM 2800 C PRO B 81 -5.801 -4.600 2.182 1.00 0.00 C ATOM 2801 O PRO B 81 -5.898 -5.788 2.418 1.00 0.00 O ATOM 2802 CB PRO B 81 -5.861 -4.495 -0.319 1.00 0.00 C ATOM 2803 CG PRO B 81 -5.306 -5.830 -0.741 1.00 0.00 C ATOM 2804 CD PRO B 81 -4.041 -6.084 0.047 1.00 0.00 C ATOM 0 HA PRO B 81 -4.948 -3.027 1.047 1.00 0.00 H new ATOM 0 HB2 PRO B 81 -6.928 -4.563 -0.107 1.00 0.00 H new ATOM 0 HB3 PRO B 81 -5.739 -3.753 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO B 81 -6.034 -6.620 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO B 81 -5.095 -5.834 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO B 81 -4.160 -6.921 0.735 1.00 0.00 H new ATOM 0 HD3 PRO B 81 -3.204 -6.326 -0.608 1.00 0.00 H new ATOM 2812 N GLY B 82 -6.330 -3.711 2.971 1.00 0.00 N ATOM 2813 CA GLY B 82 -7.069 -4.146 4.186 1.00 0.00 C ATOM 2814 C GLY B 82 -8.553 -4.156 3.849 1.00 0.00 C ATOM 2815 O GLY B 82 -8.929 -4.046 2.698 1.00 0.00 O ATOM 0 H GLY B 82 -6.283 -2.702 2.828 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -6.741 -5.138 4.498 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -6.870 -3.469 5.017 1.00 0.00 H new ATOM 2819 N GLU B 83 -9.408 -4.281 4.822 1.00 0.00 N ATOM 2820 CA GLU B 83 -10.861 -4.287 4.505 1.00 0.00 C ATOM 2821 C GLU B 83 -11.347 -2.868 4.224 1.00 0.00 C ATOM 2822 O GLU B 83 -12.384 -2.675 3.628 1.00 0.00 O ATOM 2823 CB GLU B 83 -11.567 -4.854 5.728 1.00 0.00 C ATOM 2824 CG GLU B 83 -11.193 -4.047 6.976 1.00 0.00 C ATOM 2825 CD GLU B 83 -10.598 -4.980 8.033 1.00 0.00 C ATOM 2826 OE1 GLU B 83 -9.518 -5.496 7.799 1.00 0.00 O ATOM 2827 OE2 GLU B 83 -11.233 -5.163 9.059 1.00 0.00 O ATOM 0 H GLU B 83 -9.170 -4.378 5.809 1.00 0.00 H new ATOM 0 HA GLU B 83 -11.068 -4.885 3.618 1.00 0.00 H new ATOM 0 HB2 GLU B 83 -12.646 -4.828 5.579 1.00 0.00 H new ATOM 0 HB3 GLU B 83 -11.290 -5.899 5.865 1.00 0.00 H new ATOM 0 HG2 GLU B 83 -10.474 -3.270 6.717 1.00 0.00 H new ATOM 0 HG3 GLU B 83 -12.075 -3.545 7.374 1.00 0.00 H new ATOM 2834 N SER B 84 -10.606 -1.869 4.637 1.00 0.00 N ATOM 2835 CA SER B 84 -11.040 -0.467 4.369 1.00 0.00 C ATOM 2836 C SER B 84 -11.368 -0.328 2.882 1.00 0.00 C ATOM 2837 O SER B 84 -12.364 0.257 2.505 1.00 0.00 O ATOM 2838 CB SER B 84 -9.848 0.408 4.748 1.00 0.00 C ATOM 2839 OG SER B 84 -10.311 1.558 5.443 1.00 0.00 O ATOM 0 H SER B 84 -9.726 -1.964 5.144 1.00 0.00 H new ATOM 0 HA SER B 84 -11.928 -0.182 4.933 1.00 0.00 H new ATOM 0 HB2 SER B 84 -9.154 -0.154 5.373 1.00 0.00 H new ATOM 0 HB3 SER B 84 -9.302 0.705 3.853 1.00 0.00 H new ATOM 0 HG SER B 84 -9.547 2.121 5.689 1.00 0.00 H new ATOM 2845 N LEU B 85 -10.550 -0.903 2.040 1.00 0.00 N ATOM 2846 CA LEU B 85 -10.829 -0.850 0.578 1.00 0.00 C ATOM 2847 C LEU B 85 -11.982 -1.794 0.273 1.00 0.00 C ATOM 2848 O LEU B 85 -12.756 -1.584 -0.637 1.00 0.00 O ATOM 2849 CB LEU B 85 -9.572 -1.373 -0.114 1.00 0.00 C ATOM 2850 CG LEU B 85 -8.345 -0.579 0.327 1.00 0.00 C ATOM 2851 CD1 LEU B 85 -7.301 -1.528 0.918 1.00 0.00 C ATOM 2852 CD2 LEU B 85 -7.743 0.144 -0.882 1.00 0.00 C ATOM 0 H LEU B 85 -9.702 -1.406 2.303 1.00 0.00 H new ATOM 0 HA LEU B 85 -11.083 0.157 0.247 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -9.433 -2.428 0.122 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -9.689 -1.301 -1.195 1.00 0.00 H new ATOM 0 HG LEU B 85 -8.641 0.150 1.081 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -6.427 -0.957 1.232 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -7.725 -2.045 1.779 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.006 -2.259 0.165 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -6.867 0.711 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -7.451 -0.588 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -8.483 0.824 -1.305 1.00 0.00 H new ATOM 2864 N LYS B 86 -12.077 -2.849 1.032 1.00 0.00 N ATOM 2865 CA LYS B 86 -13.155 -3.842 0.807 1.00 0.00 C ATOM 2866 C LYS B 86 -14.490 -3.281 1.269 1.00 0.00 C ATOM 2867 O LYS B 86 -15.509 -3.468 0.634 1.00 0.00 O ATOM 2868 CB LYS B 86 -12.738 -5.051 1.643 1.00 0.00 C ATOM 2869 CG LYS B 86 -11.573 -5.771 0.962 1.00 0.00 C ATOM 2870 CD LYS B 86 -11.534 -7.233 1.417 1.00 0.00 C ATOM 2871 CE LYS B 86 -11.336 -7.306 2.934 1.00 0.00 C ATOM 2872 NZ LYS B 86 -9.898 -6.986 3.153 1.00 0.00 N ATOM 0 H LYS B 86 -11.447 -3.065 1.805 1.00 0.00 H new ATOM 0 HA LYS B 86 -13.282 -4.101 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -12.446 -4.731 2.643 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -13.581 -5.732 1.760 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.684 -5.720 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.633 -5.278 1.210 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -12.461 -7.734 1.139 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -10.724 -7.758 0.911 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -11.981 -6.595 3.450 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -11.582 -8.296 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -9.753 -6.701 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -9.320 -7.826 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -9.616 -6.208 2.524 1.00 0.00 H new ATOM 2886 N LYS B 87 -14.489 -2.564 2.346 1.00 0.00 N ATOM 2887 CA LYS B 87 -15.752 -1.956 2.810 1.00 0.00 C ATOM 2888 C LYS B 87 -16.041 -0.786 1.881 1.00 0.00 C ATOM 2889 O LYS B 87 -17.170 -0.544 1.464 1.00 0.00 O ATOM 2890 CB LYS B 87 -15.476 -1.502 4.248 1.00 0.00 C ATOM 2891 CG LYS B 87 -16.659 -0.680 4.769 1.00 0.00 C ATOM 2892 CD LYS B 87 -16.897 -1.004 6.245 1.00 0.00 C ATOM 2893 CE LYS B 87 -15.734 -0.465 7.081 1.00 0.00 C ATOM 2894 NZ LYS B 87 -15.815 -1.202 8.371 1.00 0.00 N ATOM 0 H LYS B 87 -13.671 -2.373 2.924 1.00 0.00 H new ATOM 0 HA LYS B 87 -16.614 -2.622 2.796 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -15.314 -2.369 4.888 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -14.564 -0.906 4.282 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -16.457 0.384 4.648 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -17.554 -0.903 4.188 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -17.835 -0.560 6.579 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -16.988 -2.082 6.381 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -14.778 -0.639 6.586 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -15.823 0.610 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -15.049 -0.887 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -16.733 -1.012 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -15.720 -2.223 8.194 1.00 0.00 H new ATOM 2908 N ALA B 88 -15.008 -0.102 1.481 1.00 0.00 N ATOM 2909 CA ALA B 88 -15.208 0.997 0.522 1.00 0.00 C ATOM 2910 C ALA B 88 -15.607 0.359 -0.801 1.00 0.00 C ATOM 2911 O ALA B 88 -16.417 0.876 -1.542 1.00 0.00 O ATOM 2912 CB ALA B 88 -13.852 1.698 0.421 1.00 0.00 C ATOM 0 H ALA B 88 -14.045 -0.260 1.778 1.00 0.00 H new ATOM 0 HA ALA B 88 -15.978 1.713 0.809 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -13.924 2.531 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -13.562 2.073 1.403 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -13.102 0.991 0.067 1.00 0.00 H new ATOM 2918 N ALA B 89 -15.058 -0.794 -1.083 1.00 0.00 N ATOM 2919 CA ALA B 89 -15.406 -1.495 -2.348 1.00 0.00 C ATOM 2920 C ALA B 89 -16.910 -1.687 -2.406 1.00 0.00 C ATOM 2921 O ALA B 89 -17.538 -1.412 -3.410 1.00 0.00 O ATOM 2922 CB ALA B 89 -14.670 -2.831 -2.296 1.00 0.00 C ATOM 0 H ALA B 89 -14.384 -1.278 -0.490 1.00 0.00 H new ATOM 0 HA ALA B 89 -15.117 -0.937 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -14.884 -3.400 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -13.597 -2.653 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -15.003 -3.396 -1.425 1.00 0.00 H new ATOM 2928 N GLU B 90 -17.506 -2.101 -1.319 1.00 0.00 N ATOM 2929 CA GLU B 90 -18.987 -2.233 -1.311 1.00 0.00 C ATOM 2930 C GLU B 90 -19.543 -0.881 -1.751 1.00 0.00 C ATOM 2931 O GLU B 90 -20.547 -0.787 -2.430 1.00 0.00 O ATOM 2932 CB GLU B 90 -19.367 -2.545 0.137 1.00 0.00 C ATOM 2933 CG GLU B 90 -19.281 -4.054 0.374 1.00 0.00 C ATOM 2934 CD GLU B 90 -18.877 -4.323 1.824 1.00 0.00 C ATOM 2935 OE1 GLU B 90 -19.677 -4.047 2.703 1.00 0.00 O ATOM 2936 OE2 GLU B 90 -17.773 -4.800 2.032 1.00 0.00 O ATOM 0 H GLU B 90 -17.036 -2.350 -0.448 1.00 0.00 H new ATOM 0 HA GLU B 90 -19.374 -3.010 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -18.699 -2.020 0.820 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -20.377 -2.191 0.343 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -20.243 -4.521 0.161 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -18.553 -4.498 -0.305 1.00 0.00 H new ATOM 2943 N GLY B 91 -18.848 0.168 -1.383 1.00 0.00 N ATOM 2944 CA GLY B 91 -19.271 1.536 -1.792 1.00 0.00 C ATOM 2945 C GLY B 91 -19.249 1.657 -3.328 1.00 0.00 C ATOM 2946 O GLY B 91 -20.115 2.282 -3.909 1.00 0.00 O ATOM 0 H GLY B 91 -18.002 0.131 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY B 91 -20.273 1.743 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY B 91 -18.606 2.278 -1.351 1.00 0.00 H new ATOM 2950 N LEU B 92 -18.276 1.067 -4.001 1.00 0.00 N ATOM 2951 CA LEU B 92 -18.236 1.164 -5.495 1.00 0.00 C ATOM 2952 C LEU B 92 -19.335 0.308 -6.123 1.00 0.00 C ATOM 2953 O LEU B 92 -19.296 0.014 -7.301 1.00 0.00 O ATOM 2954 CB LEU B 92 -16.847 0.628 -5.890 1.00 0.00 C ATOM 2955 CG LEU B 92 -16.876 -0.895 -6.111 1.00 0.00 C ATOM 2956 CD1 LEU B 92 -16.945 -1.197 -7.612 1.00 0.00 C ATOM 2957 CD2 LEU B 92 -15.602 -1.520 -5.528 1.00 0.00 C ATOM 0 H LEU B 92 -17.518 0.529 -3.580 1.00 0.00 H new ATOM 0 HA LEU B 92 -18.399 2.185 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -16.509 1.123 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -16.126 0.870 -5.109 1.00 0.00 H new ATOM 0 HG LEU B 92 -17.751 -1.314 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -16.965 -2.276 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -17.848 -0.754 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -16.070 -0.776 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -15.622 -2.599 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -14.729 -1.097 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -15.549 -1.309 -4.460 1.00 0.00 H new ATOM 2969 N LYS B 93 -20.287 -0.138 -5.347 1.00 0.00 N ATOM 2970 CA LYS B 93 -21.346 -1.023 -5.909 1.00 0.00 C ATOM 2971 C LYS B 93 -20.652 -2.286 -6.407 1.00 0.00 C ATOM 2972 O LYS B 93 -20.960 -2.821 -7.454 1.00 0.00 O ATOM 2973 CB LYS B 93 -22.000 -0.253 -7.066 1.00 0.00 C ATOM 2974 CG LYS B 93 -22.397 1.151 -6.598 1.00 0.00 C ATOM 2975 CD LYS B 93 -23.491 1.045 -5.534 1.00 0.00 C ATOM 2976 CE LYS B 93 -24.012 2.444 -5.196 1.00 0.00 C ATOM 2977 NZ LYS B 93 -25.148 2.215 -4.262 1.00 0.00 N ATOM 0 H LYS B 93 -20.376 0.072 -4.353 1.00 0.00 H new ATOM 0 HA LYS B 93 -22.111 -1.299 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -21.308 -0.184 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -22.880 -0.790 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -21.529 1.669 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -22.753 1.740 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -24.307 0.420 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -23.096 0.566 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -23.236 3.053 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -24.338 2.971 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -25.559 3.129 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -25.874 1.638 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -24.806 1.717 -3.415 1.00 0.00 H new ATOM 2991 N TYR B 94 -19.687 -2.741 -5.644 1.00 0.00 N ATOM 2992 CA TYR B 94 -18.910 -3.958 -6.016 1.00 0.00 C ATOM 2993 C TYR B 94 -19.829 -5.010 -6.659 1.00 0.00 C ATOM 2994 O TYR B 94 -19.447 -5.699 -7.584 1.00 0.00 O ATOM 2995 CB TYR B 94 -18.323 -4.457 -4.685 1.00 0.00 C ATOM 2996 CG TYR B 94 -18.628 -5.919 -4.521 1.00 0.00 C ATOM 2997 CD1 TYR B 94 -17.925 -6.857 -5.275 1.00 0.00 C ATOM 2998 CD2 TYR B 94 -19.636 -6.327 -3.645 1.00 0.00 C ATOM 2999 CE1 TYR B 94 -18.225 -8.219 -5.153 1.00 0.00 C ATOM 3000 CE2 TYR B 94 -19.943 -7.689 -3.524 1.00 0.00 C ATOM 3001 CZ TYR B 94 -19.236 -8.633 -4.280 1.00 0.00 C ATOM 3002 OH TYR B 94 -19.538 -9.971 -4.166 1.00 0.00 O ATOM 0 H TYR B 94 -19.403 -2.310 -4.764 1.00 0.00 H new ATOM 0 HA TYR B 94 -18.132 -3.755 -6.752 1.00 0.00 H new ATOM 0 HB2 TYR B 94 -17.245 -4.295 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR B 94 -18.744 -3.891 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR B 94 -17.149 -6.533 -5.953 1.00 0.00 H new ATOM 0 HD2 TYR B 94 -20.177 -5.596 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR B 94 -17.677 -8.948 -5.732 1.00 0.00 H new ATOM 0 HE2 TYR B 94 -20.723 -8.010 -2.849 1.00 0.00 H new ATOM 0 HH TYR B 94 -20.263 -10.089 -3.517 1.00 0.00 H new ATOM 3012 N GLU B 95 -21.037 -5.127 -6.175 1.00 0.00 N ATOM 3013 CA GLU B 95 -21.982 -6.127 -6.760 1.00 0.00 C ATOM 3014 C GLU B 95 -22.213 -5.818 -8.239 1.00 0.00 C ATOM 3015 O GLU B 95 -22.208 -6.703 -9.073 1.00 0.00 O ATOM 3016 CB GLU B 95 -23.280 -6.001 -5.956 1.00 0.00 C ATOM 3017 CG GLU B 95 -23.794 -4.556 -5.992 1.00 0.00 C ATOM 3018 CD GLU B 95 -24.814 -4.395 -7.124 1.00 0.00 C ATOM 3019 OE1 GLU B 95 -24.952 -5.317 -7.914 1.00 0.00 O ATOM 3020 OE2 GLU B 95 -25.441 -3.350 -7.184 1.00 0.00 O ATOM 0 H GLU B 95 -21.411 -4.576 -5.402 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.592 -7.143 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -24.035 -6.672 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -23.107 -6.306 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -24.253 -4.300 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -22.962 -3.868 -6.140 1.00 0.00 H new ATOM 3027 N ASP B 96 -22.382 -4.567 -8.578 1.00 0.00 N ATOM 3028 CA ASP B 96 -22.573 -4.206 -10.013 1.00 0.00 C ATOM 3029 C ASP B 96 -21.331 -4.646 -10.781 1.00 0.00 C ATOM 3030 O ASP B 96 -21.401 -5.115 -11.901 1.00 0.00 O ATOM 3031 CB ASP B 96 -22.706 -2.681 -10.036 1.00 0.00 C ATOM 3032 CG ASP B 96 -24.185 -2.291 -10.062 1.00 0.00 C ATOM 3033 OD1 ASP B 96 -25.001 -3.097 -9.643 1.00 0.00 O ATOM 3034 OD2 ASP B 96 -24.479 -1.189 -10.499 1.00 0.00 O ATOM 0 H ASP B 96 -22.396 -3.783 -7.926 1.00 0.00 H new ATOM 0 HA ASP B 96 -23.444 -4.680 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP B 96 -22.222 -2.251 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP B 96 -22.198 -2.275 -10.911 1.00 0.00 H new ATOM 3039 N PHE B 97 -20.195 -4.515 -10.156 1.00 0.00 N ATOM 3040 CA PHE B 97 -18.923 -4.940 -10.801 1.00 0.00 C ATOM 3041 C PHE B 97 -18.830 -6.469 -10.770 1.00 0.00 C ATOM 3042 O PHE B 97 -18.186 -7.083 -11.598 1.00 0.00 O ATOM 3043 CB PHE B 97 -17.824 -4.318 -9.936 1.00 0.00 C ATOM 3044 CG PHE B 97 -16.739 -3.749 -10.817 1.00 0.00 C ATOM 3045 CD1 PHE B 97 -15.710 -4.577 -11.277 1.00 0.00 C ATOM 3046 CD2 PHE B 97 -16.760 -2.395 -11.166 1.00 0.00 C ATOM 3047 CE1 PHE B 97 -14.697 -4.050 -12.088 1.00 0.00 C ATOM 3048 CE2 PHE B 97 -15.749 -1.866 -11.978 1.00 0.00 C ATOM 3049 CZ PHE B 97 -14.718 -2.694 -12.438 1.00 0.00 C ATOM 0 H PHE B 97 -20.093 -4.128 -9.218 1.00 0.00 H new ATOM 0 HA PHE B 97 -18.845 -4.627 -11.842 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -18.244 -3.532 -9.308 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -17.405 -5.070 -9.268 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -15.697 -5.623 -11.007 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -17.556 -1.758 -10.809 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -13.901 -4.688 -12.443 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -15.765 -0.821 -12.249 1.00 0.00 H new ATOM 0 HZ PHE B 97 -13.938 -2.286 -13.064 1.00 0.00 H new