USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 884 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 MET CE :methyl 177:sc= -3.31! (180deg=-3.03) USER MOD Set 1.2: B 9 GLN : amide:sc= -7.58! C(o=-9.8!,f=-13!) USER MOD Set 1.3: B 11 THR OG1 : rot 164:sc= 1.09 USER MOD Set 2.1: A 78 LYS NZ :NH3+ 170:sc= 2.33 (180deg=1.11) USER MOD Set 2.2: A 86 THR OG1 : rot 60:sc= 1.04 USER MOD Set 3.1: A 71 ASN : amide:sc= -9.9! C(o=-11!,f=-13!) USER MOD Set 3.2: A 90 SER OG : rot 144:sc= -0.644 USER MOD Set 4.1: A 33 ASN : amide:sc= -0.859 K(o=-0.59,f=-3.7!) USER MOD Set 4.2: B 8 SER OG : rot 127:sc= 0.272 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.27 X(o=-2.3,f=-2.3!) USER MOD Single : A 21 SER OG : rot -3:sc= -1.66 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0096 USER MOD Single : A 29 SER OG : rot 64:sc= 0.965 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0.152 (180deg=0.101) USER MOD Single : A 35 SER OG : rot 180:sc= -0.332 USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.584 (180deg=0.0108) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 39 HIS : no HE2:sc= -0.0782 K(o=-0.078,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0415) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.696 K(o=0.7,f=-0.89) USER MOD Single : A 56 SER OG : rot -87:sc= -4.39! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00108 X(o=-0.0011,f=-0.029) USER MOD Single : A 66 GLN : amide:sc= -2 X(o=-2,f=-2.2) USER MOD Single : A 74 SER OG : rot -14:sc= 0.0621 USER MOD Single : A 80 ASN : amide:sc= -4.82! C(o=-4.8!,f=-8.5!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.629 F(o=-5.2!,f=-0.63) USER MOD Single : A 91 MET CE :methyl -158:sc= -7.59! (180deg=-10.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.929 F(o=-2.1!,f=-0.93) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -2.91 (180deg=-3.55!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.479 F(o=-1.3,f=-0.48) USER MOD Single : A 110 SER OG : rot -50:sc= 0.35 USER MOD Single : B 6 GLN :FLIP amide:sc= -2.9! C(o=-3.7!,f=-2.9!) USER MOD Single : B 7 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.0029) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -6.383 -11.643 -4.099 1.00 0.00 N ATOM 2 CA GLY A 7 -6.134 -11.368 -5.501 1.00 0.00 C ATOM 3 C GLY A 7 -6.698 -10.031 -5.941 1.00 0.00 C ATOM 4 O GLY A 7 -7.292 -9.923 -7.013 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.060 -11.384 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.573 -12.161 -6.107 1.00 0.00 H new ATOM 8 N THR A 8 -6.511 -9.011 -5.110 1.00 0.00 N ATOM 9 CA THR A 8 -7.006 -7.673 -5.418 1.00 0.00 C ATOM 10 C THR A 8 -5.864 -6.661 -5.434 1.00 0.00 C ATOM 11 O THR A 8 -6.060 -5.486 -5.128 1.00 0.00 O ATOM 12 CB THR A 8 -8.064 -7.251 -4.398 1.00 0.00 C ATOM 13 OG1 THR A 8 -7.577 -7.400 -3.077 1.00 0.00 O ATOM 14 CG2 THR A 8 -9.347 -8.046 -4.506 1.00 0.00 C ATOM 0 H THR A 8 -6.021 -9.085 -4.219 1.00 0.00 H new ATOM 0 HA THR A 8 -7.458 -7.699 -6.410 1.00 0.00 H new ATOM 0 HB THR A 8 -8.281 -6.207 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.269 -7.123 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.056 -7.697 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.776 -7.912 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.135 -9.103 -4.342 1.00 0.00 H new ATOM 22 N ARG A 9 -4.672 -7.128 -5.789 1.00 0.00 N ATOM 23 CA ARG A 9 -3.499 -6.262 -5.844 1.00 0.00 C ATOM 24 C ARG A 9 -3.522 -5.391 -7.097 1.00 0.00 C ATOM 25 O ARG A 9 -3.645 -5.895 -8.214 1.00 0.00 O ATOM 26 CB ARG A 9 -2.218 -7.100 -5.813 1.00 0.00 C ATOM 27 CG ARG A 9 -1.635 -7.261 -4.418 1.00 0.00 C ATOM 28 CD ARG A 9 -1.492 -8.727 -4.031 1.00 0.00 C ATOM 29 NE ARG A 9 -0.100 -9.094 -3.781 1.00 0.00 N ATOM 30 CZ ARG A 9 0.782 -9.350 -4.745 1.00 0.00 C ATOM 31 NH1 ARG A 9 0.422 -9.282 -6.019 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.029 -9.678 -4.430 1.00 0.00 N ATOM 0 H ARG A 9 -4.492 -8.099 -6.043 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.519 -5.610 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.428 -8.086 -6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.473 -6.635 -6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.660 -6.776 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.276 -6.755 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.085 -8.926 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.895 -9.353 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 9 0.214 -9.158 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.536 -9.032 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.103 -9.479 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.310 -9.734 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.706 -9.875 -5.167 1.00 0.00 H new ATOM 46 N GLU A 10 -3.407 -4.081 -6.902 1.00 0.00 N ATOM 47 CA GLU A 10 -3.416 -3.140 -8.016 1.00 0.00 C ATOM 48 C GLU A 10 -2.289 -2.121 -7.878 1.00 0.00 C ATOM 49 O GLU A 10 -2.076 -1.560 -6.802 1.00 0.00 O ATOM 50 CB GLU A 10 -4.763 -2.419 -8.089 1.00 0.00 C ATOM 51 CG GLU A 10 -5.045 -1.531 -6.888 1.00 0.00 C ATOM 52 CD GLU A 10 -6.314 -0.717 -7.047 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.170 -1.107 -7.870 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.452 0.310 -6.349 1.00 0.00 O ATOM 0 H GLU A 10 -3.307 -3.648 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.261 -3.703 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.792 -1.812 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.558 -3.160 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.125 -2.150 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.203 -0.857 -6.734 1.00 0.00 H new ATOM 61 N PHE A 11 -1.572 -1.888 -8.975 1.00 0.00 N ATOM 62 CA PHE A 11 -0.467 -0.936 -8.981 1.00 0.00 C ATOM 63 C PHE A 11 -0.983 0.492 -9.141 1.00 0.00 C ATOM 64 O PHE A 11 -2.036 0.716 -9.738 1.00 0.00 O ATOM 65 CB PHE A 11 0.511 -1.264 -10.111 1.00 0.00 C ATOM 66 CG PHE A 11 1.041 -2.669 -10.055 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.287 -3.728 -10.534 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.295 -2.929 -9.526 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.773 -5.021 -10.484 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.786 -4.219 -9.473 1.00 0.00 C ATOM 71 CZ PHE A 11 2.024 -5.267 -9.953 1.00 0.00 C ATOM 0 H PHE A 11 -1.738 -2.346 -9.871 1.00 0.00 H new ATOM 0 HA PHE A 11 0.052 -1.014 -8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.013 -1.110 -11.068 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.348 -0.566 -10.071 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.692 -3.541 -10.951 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.896 -2.114 -9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.175 -5.838 -10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.764 -4.408 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.406 -6.276 -9.913 1.00 0.00 H new ATOM 81 N LEU A 12 -0.241 1.455 -8.601 1.00 0.00 N ATOM 82 CA LEU A 12 -0.635 2.857 -8.687 1.00 0.00 C ATOM 83 C LEU A 12 0.574 3.778 -8.575 1.00 0.00 C ATOM 84 O LEU A 12 1.309 3.743 -7.588 1.00 0.00 O ATOM 85 CB LEU A 12 -1.660 3.211 -7.597 1.00 0.00 C ATOM 86 CG LEU A 12 -2.065 2.060 -6.671 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.964 2.480 -5.211 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.473 1.582 -6.995 1.00 0.00 C ATOM 0 H LEU A 12 0.633 1.291 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.096 3.004 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.252 4.017 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.557 3.599 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.375 1.232 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.256 1.647 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.937 2.768 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.626 3.327 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.742 0.764 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.176 2.405 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.511 1.234 -8.027 1.00 0.00 H new ATOM 100 N THR A 13 0.765 4.607 -9.592 1.00 0.00 N ATOM 101 CA THR A 13 1.874 5.554 -9.616 1.00 0.00 C ATOM 102 C THR A 13 1.526 6.794 -8.798 1.00 0.00 C ATOM 103 O THR A 13 0.368 7.203 -8.745 1.00 0.00 O ATOM 104 CB THR A 13 2.204 5.950 -11.055 1.00 0.00 C ATOM 105 OG1 THR A 13 2.230 4.810 -11.896 1.00 0.00 O ATOM 106 CG2 THR A 13 3.537 6.652 -11.193 1.00 0.00 C ATOM 0 H THR A 13 0.164 4.644 -10.415 1.00 0.00 H new ATOM 0 HA THR A 13 2.749 5.076 -9.176 1.00 0.00 H new ATOM 0 HB THR A 13 1.415 6.642 -11.351 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.441 5.085 -12.813 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.708 6.905 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.532 7.564 -10.595 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.333 5.994 -10.844 1.00 0.00 H new ATOM 114 N PHE A 14 2.528 7.383 -8.151 1.00 0.00 N ATOM 115 CA PHE A 14 2.301 8.564 -7.328 1.00 0.00 C ATOM 116 C PHE A 14 3.424 9.587 -7.464 1.00 0.00 C ATOM 117 O PHE A 14 4.462 9.323 -8.069 1.00 0.00 O ATOM 118 CB PHE A 14 2.141 8.160 -5.861 1.00 0.00 C ATOM 119 CG PHE A 14 0.867 7.413 -5.579 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.328 7.807 -6.160 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.866 6.315 -4.732 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.499 7.120 -5.903 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.303 5.625 -4.472 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.487 6.028 -5.059 1.00 0.00 C ATOM 0 H PHE A 14 3.496 7.064 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 14 1.384 9.034 -7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.988 7.540 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.172 9.056 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.344 8.661 -6.821 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.789 5.996 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.423 7.437 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.291 4.771 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.401 5.490 -4.858 1.00 0.00 H new ATOM 134 N GLU A 15 3.194 10.756 -6.879 1.00 0.00 N ATOM 135 CA GLU A 15 4.162 11.846 -6.895 1.00 0.00 C ATOM 136 C GLU A 15 4.101 12.578 -5.560 1.00 0.00 C ATOM 137 O GLU A 15 3.148 13.307 -5.285 1.00 0.00 O ATOM 138 CB GLU A 15 3.873 12.808 -8.049 1.00 0.00 C ATOM 139 CG GLU A 15 3.352 12.123 -9.303 1.00 0.00 C ATOM 140 CD GLU A 15 1.882 11.758 -9.206 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.286 11.972 -8.129 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.328 11.258 -10.207 1.00 0.00 O ATOM 0 H GLU A 15 2.332 10.975 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 15 5.163 11.441 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.142 13.547 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.786 13.350 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.503 12.780 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.934 11.220 -9.487 1.00 0.00 H new ATOM 149 N VAL A 16 5.099 12.347 -4.712 1.00 0.00 N ATOM 150 CA VAL A 16 5.121 12.950 -3.386 1.00 0.00 C ATOM 151 C VAL A 16 6.121 14.101 -3.268 1.00 0.00 C ATOM 152 O VAL A 16 7.331 13.887 -3.329 1.00 0.00 O ATOM 153 CB VAL A 16 5.468 11.894 -2.318 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.273 12.457 -0.921 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.634 10.638 -2.516 1.00 0.00 C ATOM 0 H VAL A 16 5.899 11.749 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 16 4.121 13.351 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 16 6.519 11.626 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.524 11.695 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.922 13.322 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.234 12.759 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.894 9.905 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.576 10.887 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.834 10.220 -3.503 1.00 0.00 H new ATOM 165 N PRO A 17 5.627 15.338 -3.061 1.00 0.00 N ATOM 166 CA PRO A 17 6.485 16.506 -2.896 1.00 0.00 C ATOM 167 C PRO A 17 6.941 16.644 -1.448 1.00 0.00 C ATOM 168 O PRO A 17 6.119 16.633 -0.534 1.00 0.00 O ATOM 169 CB PRO A 17 5.560 17.655 -3.283 1.00 0.00 C ATOM 170 CG PRO A 17 4.205 17.202 -2.849 1.00 0.00 C ATOM 171 CD PRO A 17 4.199 15.693 -2.943 1.00 0.00 C ATOM 0 HA PRO A 17 7.398 16.462 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.848 18.581 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.591 17.846 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.997 17.527 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.431 17.632 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.746 15.240 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.629 15.349 -3.806 1.00 0.00 H new ATOM 179 N LEU A 18 8.248 16.753 -1.236 1.00 0.00 N ATOM 180 CA LEU A 18 8.789 16.861 0.116 1.00 0.00 C ATOM 181 C LEU A 18 9.601 18.133 0.302 1.00 0.00 C ATOM 182 O LEU A 18 10.516 18.178 1.123 1.00 0.00 O ATOM 183 CB LEU A 18 9.668 15.657 0.412 1.00 0.00 C ATOM 184 CG LEU A 18 10.726 15.403 -0.652 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.062 15.050 -0.015 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.275 14.308 -1.605 1.00 0.00 C ATOM 0 H LEU A 18 8.949 16.769 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 18 7.947 16.895 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.159 15.803 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.039 14.772 0.506 1.00 0.00 H new ATOM 0 HG LEU A 18 10.859 16.320 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.802 14.873 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.392 15.874 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.950 14.150 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.045 14.141 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.107 13.387 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.349 14.610 -2.094 1.00 0.00 H new ATOM 198 N ASN A 19 9.257 19.163 -0.455 1.00 0.00 N ATOM 199 CA ASN A 19 9.945 20.452 -0.370 1.00 0.00 C ATOM 200 C ASN A 19 10.285 20.803 1.079 1.00 0.00 C ATOM 201 O ASN A 19 11.304 21.438 1.357 1.00 0.00 O ATOM 202 CB ASN A 19 9.070 21.550 -0.978 1.00 0.00 C ATOM 203 CG ASN A 19 7.918 21.955 -0.072 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.786 23.123 0.294 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.076 20.993 0.295 1.00 0.00 N ATOM 0 H ASN A 19 8.502 19.136 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 19 10.877 20.376 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.686 22.424 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.672 21.204 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.286 21.211 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.221 20.037 -0.030 1.00 0.00 H new ATOM 212 N ASP A 20 9.425 20.369 1.992 1.00 0.00 N ATOM 213 CA ASP A 20 9.618 20.612 3.416 1.00 0.00 C ATOM 214 C ASP A 20 9.991 19.319 4.121 1.00 0.00 C ATOM 215 O ASP A 20 10.771 19.316 5.073 1.00 0.00 O ATOM 216 CB ASP A 20 8.346 21.185 4.042 1.00 0.00 C ATOM 217 CG ASP A 20 7.991 22.555 3.495 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.718 23.048 2.607 1.00 0.00 O ATOM 219 OD2 ASP A 20 6.985 23.134 3.957 1.00 0.00 O ATOM 0 H ASP A 20 8.580 19.843 1.769 1.00 0.00 H new ATOM 0 HA ASP A 20 10.426 21.335 3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.517 20.500 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.476 21.252 5.122 1.00 0.00 H new ATOM 224 N SER A 21 9.425 18.221 3.637 1.00 0.00 N ATOM 225 CA SER A 21 9.689 16.909 4.205 1.00 0.00 C ATOM 226 C SER A 21 11.110 16.445 3.892 1.00 0.00 C ATOM 227 O SER A 21 11.551 15.413 4.395 1.00 0.00 O ATOM 228 CB SER A 21 8.675 15.894 3.672 1.00 0.00 C ATOM 229 OG SER A 21 9.080 14.569 3.964 1.00 0.00 O ATOM 0 H SER A 21 8.778 18.215 2.849 1.00 0.00 H new ATOM 0 HA SER A 21 9.590 16.983 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.697 16.085 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.566 16.015 2.594 1.00 0.00 H new ATOM 0 HG SER A 21 9.955 14.584 4.406 1.00 0.00 H new ATOM 235 N GLY A 22 11.827 17.209 3.062 1.00 0.00 N ATOM 236 CA GLY A 22 13.193 16.850 2.708 1.00 0.00 C ATOM 237 C GLY A 22 14.000 16.365 3.900 1.00 0.00 C ATOM 238 O GLY A 22 14.895 15.533 3.756 1.00 0.00 O ATOM 0 H GLY A 22 11.485 18.068 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.174 16.070 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.689 17.715 2.267 1.00 0.00 H new ATOM 242 N SER A 23 13.675 16.882 5.082 1.00 0.00 N ATOM 243 CA SER A 23 14.367 16.491 6.305 1.00 0.00 C ATOM 244 C SER A 23 13.782 15.196 6.860 1.00 0.00 C ATOM 245 O SER A 23 14.511 14.331 7.345 1.00 0.00 O ATOM 246 CB SER A 23 14.265 17.601 7.353 1.00 0.00 C ATOM 247 OG SER A 23 12.925 18.035 7.507 1.00 0.00 O ATOM 0 H SER A 23 12.937 17.573 5.218 1.00 0.00 H new ATOM 0 HA SER A 23 15.418 16.327 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.646 17.240 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.892 18.443 7.058 1.00 0.00 H new ATOM 0 HG SER A 23 12.886 18.743 8.183 1.00 0.00 H new ATOM 253 N ALA A 24 12.460 15.071 6.778 1.00 0.00 N ATOM 254 CA ALA A 24 11.771 13.881 7.265 1.00 0.00 C ATOM 255 C ALA A 24 11.889 12.726 6.272 1.00 0.00 C ATOM 256 O ALA A 24 11.611 11.577 6.610 1.00 0.00 O ATOM 257 CB ALA A 24 10.305 14.197 7.533 1.00 0.00 C ATOM 0 H ALA A 24 11.845 15.780 6.379 1.00 0.00 H new ATOM 0 HA ALA A 24 12.247 13.573 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.800 13.302 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.234 14.984 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.831 14.532 6.611 1.00 0.00 H new ATOM 263 N GLY A 25 12.292 13.041 5.044 1.00 0.00 N ATOM 264 CA GLY A 25 12.424 12.020 4.020 1.00 0.00 C ATOM 265 C GLY A 25 11.231 12.007 3.087 1.00 0.00 C ATOM 266 O GLY A 25 11.386 11.972 1.867 1.00 0.00 O ATOM 0 H GLY A 25 12.529 13.985 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.334 12.196 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.528 11.043 4.491 1.00 0.00 H new ATOM 270 N LEU A 26 10.040 12.054 3.674 1.00 0.00 N ATOM 271 CA LEU A 26 8.798 12.067 2.909 1.00 0.00 C ATOM 272 C LEU A 26 7.592 12.075 3.840 1.00 0.00 C ATOM 273 O LEU A 26 6.555 12.646 3.517 1.00 0.00 O ATOM 274 CB LEU A 26 8.716 10.872 1.960 1.00 0.00 C ATOM 275 CG LEU A 26 8.000 11.161 0.639 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.626 12.361 -0.055 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.033 9.941 -0.266 1.00 0.00 C ATOM 0 H LEU A 26 9.908 12.084 4.685 1.00 0.00 H new ATOM 0 HA LEU A 26 8.791 12.979 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.727 10.526 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.201 10.056 2.467 1.00 0.00 H new ATOM 0 HG LEU A 26 6.958 11.396 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.104 12.552 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.546 13.236 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.677 12.156 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.519 10.167 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.068 9.673 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.536 9.107 0.229 1.00 0.00 H new ATOM 289 N GLY A 27 7.737 11.447 5.003 1.00 0.00 N ATOM 290 CA GLY A 27 6.649 11.415 5.960 1.00 0.00 C ATOM 291 C GLY A 27 5.964 10.068 6.046 1.00 0.00 C ATOM 292 O GLY A 27 4.737 9.996 6.097 1.00 0.00 O ATOM 0 H GLY A 27 8.585 10.962 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.033 11.683 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.913 12.172 5.688 1.00 0.00 H new ATOM 296 N VAL A 28 6.747 8.993 6.071 1.00 0.00 N ATOM 297 CA VAL A 28 6.180 7.652 6.162 1.00 0.00 C ATOM 298 C VAL A 28 7.177 6.646 6.720 1.00 0.00 C ATOM 299 O VAL A 28 8.390 6.817 6.605 1.00 0.00 O ATOM 300 CB VAL A 28 5.699 7.140 4.787 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.653 8.070 4.203 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.872 6.977 3.831 1.00 0.00 C ATOM 0 H VAL A 28 7.766 9.023 6.030 1.00 0.00 H new ATOM 0 HA VAL A 28 5.332 7.737 6.841 1.00 0.00 H new ATOM 0 HB VAL A 28 5.241 6.162 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.328 7.690 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.798 8.124 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.080 9.065 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.510 6.615 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.366 7.939 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.581 6.260 4.244 1.00 0.00 H new ATOM 312 N SER A 29 6.643 5.576 7.297 1.00 0.00 N ATOM 313 CA SER A 29 7.457 4.505 7.847 1.00 0.00 C ATOM 314 C SER A 29 7.245 3.251 7.010 1.00 0.00 C ATOM 315 O SER A 29 6.130 2.741 6.924 1.00 0.00 O ATOM 316 CB SER A 29 7.088 4.239 9.309 1.00 0.00 C ATOM 317 OG SER A 29 6.363 5.328 9.856 1.00 0.00 O ATOM 0 H SER A 29 5.638 5.429 7.395 1.00 0.00 H new ATOM 0 HA SER A 29 8.507 4.796 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.492 3.329 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.994 4.071 9.892 1.00 0.00 H new ATOM 0 HG SER A 29 5.513 5.427 9.379 1.00 0.00 H new ATOM 323 N VAL A 30 8.305 2.777 6.367 1.00 0.00 N ATOM 324 CA VAL A 30 8.202 1.603 5.508 1.00 0.00 C ATOM 325 C VAL A 30 8.823 0.367 6.145 1.00 0.00 C ATOM 326 O VAL A 30 9.846 0.445 6.825 1.00 0.00 O ATOM 327 CB VAL A 30 8.875 1.849 4.146 1.00 0.00 C ATOM 328 CG1 VAL A 30 8.103 2.889 3.349 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.326 2.275 4.333 1.00 0.00 C ATOM 0 H VAL A 30 9.239 3.183 6.423 1.00 0.00 H new ATOM 0 HA VAL A 30 7.136 1.425 5.366 1.00 0.00 H new ATOM 0 HB VAL A 30 8.866 0.915 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.594 3.050 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.085 2.537 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.076 3.827 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.784 2.444 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.363 3.195 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.871 1.491 4.859 1.00 0.00 H new ATOM 339 N LYS A 31 8.190 -0.775 5.904 1.00 0.00 N ATOM 340 CA LYS A 31 8.660 -2.049 6.429 1.00 0.00 C ATOM 341 C LYS A 31 8.350 -3.168 5.441 1.00 0.00 C ATOM 342 O LYS A 31 7.217 -3.305 4.981 1.00 0.00 O ATOM 343 CB LYS A 31 8.000 -2.337 7.784 1.00 0.00 C ATOM 344 CG LYS A 31 8.047 -3.801 8.197 1.00 0.00 C ATOM 345 CD LYS A 31 6.763 -4.526 7.828 1.00 0.00 C ATOM 346 CE LYS A 31 5.675 -4.292 8.861 1.00 0.00 C ATOM 347 NZ LYS A 31 5.822 -5.191 10.040 1.00 0.00 N ATOM 0 H LYS A 31 7.341 -0.843 5.342 1.00 0.00 H new ATOM 0 HA LYS A 31 9.739 -1.996 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.492 -1.738 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.960 -2.014 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.893 -4.289 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.210 -3.872 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.419 -4.184 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.960 -5.595 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.706 -3.254 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.699 -4.452 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.219 -4.848 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.535 -6.156 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.815 -5.197 10.350 1.00 0.00 H new ATOM 361 N GLY A 32 9.361 -3.964 5.115 1.00 0.00 N ATOM 362 CA GLY A 32 9.166 -5.054 4.182 1.00 0.00 C ATOM 363 C GLY A 32 9.116 -6.406 4.862 1.00 0.00 C ATOM 364 O GLY A 32 9.589 -6.564 5.987 1.00 0.00 O ATOM 0 H GLY A 32 10.309 -3.874 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.238 -4.894 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.975 -5.050 3.451 1.00 0.00 H new ATOM 368 N ASN A 33 8.538 -7.384 4.174 1.00 0.00 N ATOM 369 CA ASN A 33 8.422 -8.733 4.715 1.00 0.00 C ATOM 370 C ASN A 33 8.809 -9.773 3.673 1.00 0.00 C ATOM 371 O ASN A 33 8.692 -9.535 2.472 1.00 0.00 O ATOM 372 CB ASN A 33 6.996 -8.999 5.195 1.00 0.00 C ATOM 373 CG ASN A 33 6.524 -7.973 6.206 1.00 0.00 C ATOM 374 OD1 ASN A 33 7.172 -7.749 7.228 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.389 -7.343 5.926 1.00 0.00 N ATOM 0 H ASN A 33 8.143 -7.268 3.241 1.00 0.00 H new ATOM 0 HA ASN A 33 9.106 -8.810 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.322 -8.998 4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.945 -9.993 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.022 -6.642 6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.884 -7.560 5.067 1.00 0.00 H new ATOM 382 N ARG A 34 9.256 -10.927 4.144 1.00 0.00 N ATOM 383 CA ARG A 34 9.649 -12.013 3.257 1.00 0.00 C ATOM 384 C ARG A 34 8.634 -13.147 3.336 1.00 0.00 C ATOM 385 O ARG A 34 7.939 -13.299 4.341 1.00 0.00 O ATOM 386 CB ARG A 34 11.046 -12.527 3.616 1.00 0.00 C ATOM 387 CG ARG A 34 11.266 -12.714 5.107 1.00 0.00 C ATOM 388 CD ARG A 34 12.729 -12.966 5.430 1.00 0.00 C ATOM 389 NE ARG A 34 13.384 -11.770 5.956 1.00 0.00 N ATOM 390 CZ ARG A 34 14.278 -11.777 6.944 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.639 -12.917 7.521 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.814 -10.638 7.358 1.00 0.00 N ATOM 0 H ARG A 34 9.356 -11.137 5.137 1.00 0.00 H new ATOM 0 HA ARG A 34 9.676 -11.632 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.214 -13.478 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.790 -11.828 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.923 -11.827 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.665 -13.551 5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.806 -13.773 6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.248 -13.298 4.531 1.00 0.00 H new ATOM 0 HE ARG A 34 13.141 -10.871 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.231 -13.798 7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.324 -12.912 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.542 -9.758 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.498 -10.642 8.114 1.00 0.00 H new ATOM 406 N SER A 35 8.548 -13.932 2.268 1.00 0.00 N ATOM 407 CA SER A 35 7.612 -15.055 2.203 1.00 0.00 C ATOM 408 C SER A 35 7.555 -15.812 3.529 1.00 0.00 C ATOM 409 O SER A 35 8.527 -15.839 4.283 1.00 0.00 O ATOM 410 CB SER A 35 8.005 -16.009 1.074 1.00 0.00 C ATOM 411 OG SER A 35 7.118 -15.895 -0.024 1.00 0.00 O ATOM 0 H SER A 35 9.117 -13.813 1.430 1.00 0.00 H new ATOM 0 HA SER A 35 6.621 -14.649 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.022 -15.791 0.748 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.001 -17.035 1.443 1.00 0.00 H new ATOM 0 HG SER A 35 7.393 -16.514 -0.732 1.00 0.00 H new ATOM 417 N LYS A 36 6.407 -16.422 3.809 1.00 0.00 N ATOM 418 CA LYS A 36 6.222 -17.174 5.044 1.00 0.00 C ATOM 419 C LYS A 36 7.104 -18.417 5.067 1.00 0.00 C ATOM 420 O LYS A 36 7.898 -18.611 5.986 1.00 0.00 O ATOM 421 CB LYS A 36 4.755 -17.575 5.208 1.00 0.00 C ATOM 422 CG LYS A 36 4.287 -17.596 6.653 1.00 0.00 C ATOM 423 CD LYS A 36 3.297 -18.722 6.903 1.00 0.00 C ATOM 424 CE LYS A 36 1.896 -18.339 6.454 1.00 0.00 C ATOM 425 NZ LYS A 36 1.586 -18.855 5.091 1.00 0.00 N ATOM 0 H LYS A 36 5.591 -16.410 3.197 1.00 0.00 H new ATOM 0 HA LYS A 36 6.512 -16.530 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.132 -16.881 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.606 -18.563 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.147 -17.713 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.823 -16.641 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.619 -19.617 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.286 -18.969 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.168 -18.731 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.797 -17.254 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.615 -19.228 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.673 -18.083 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.253 -19.614 4.847 1.00 0.00 H new ATOM 439 N GLU A 37 6.954 -19.254 4.049 1.00 0.00 N ATOM 440 CA GLU A 37 7.734 -20.483 3.948 1.00 0.00 C ATOM 441 C GLU A 37 9.230 -20.180 3.907 1.00 0.00 C ATOM 442 O GLU A 37 9.952 -20.442 4.868 1.00 0.00 O ATOM 443 CB GLU A 37 7.324 -21.270 2.701 1.00 0.00 C ATOM 444 CG GLU A 37 7.134 -22.756 2.957 1.00 0.00 C ATOM 445 CD GLU A 37 7.269 -23.589 1.696 1.00 0.00 C ATOM 446 OE1 GLU A 37 8.411 -23.775 1.228 1.00 0.00 O ATOM 447 OE2 GLU A 37 6.232 -24.052 1.178 1.00 0.00 O ATOM 0 H GLU A 37 6.300 -19.105 3.281 1.00 0.00 H new ATOM 0 HA GLU A 37 7.531 -21.086 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.395 -20.855 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.084 -21.136 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.868 -23.091 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.149 -22.922 3.394 1.00 0.00 H new ATOM 454 N ASN A 38 9.687 -19.629 2.788 1.00 0.00 N ATOM 455 CA ASN A 38 11.097 -19.293 2.625 1.00 0.00 C ATOM 456 C ASN A 38 11.398 -17.915 3.205 1.00 0.00 C ATOM 457 O ASN A 38 10.490 -17.188 3.606 1.00 0.00 O ATOM 458 CB ASN A 38 11.483 -19.331 1.145 1.00 0.00 C ATOM 459 CG ASN A 38 11.204 -20.679 0.509 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.578 -21.721 1.046 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.542 -20.665 -0.642 1.00 0.00 N ATOM 0 H ASN A 38 9.103 -19.406 1.982 1.00 0.00 H new ATOM 0 HA ASN A 38 11.687 -20.032 3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.932 -18.558 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.542 -19.096 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.325 -21.542 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.251 -19.778 -1.052 1.00 0.00 H new ATOM 468 N HIS A 39 12.678 -17.562 3.246 1.00 0.00 N ATOM 469 CA HIS A 39 13.098 -16.272 3.778 1.00 0.00 C ATOM 470 C HIS A 39 13.341 -15.273 2.651 1.00 0.00 C ATOM 471 O HIS A 39 14.231 -14.427 2.739 1.00 0.00 O ATOM 472 CB HIS A 39 14.367 -16.431 4.618 1.00 0.00 C ATOM 473 CG HIS A 39 14.138 -17.145 5.914 1.00 0.00 C ATOM 474 ND1 HIS A 39 12.937 -17.113 6.591 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.966 -17.916 6.658 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.036 -17.832 7.695 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.256 -18.331 7.759 1.00 0.00 N ATOM 0 H HIS A 39 13.443 -18.152 2.917 1.00 0.00 H new ATOM 0 HA HIS A 39 12.298 -15.890 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.111 -16.976 4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.783 -15.445 4.824 1.00 0.00 H new ATOM 0 HD1 HIS A 39 12.102 -16.612 6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.993 -18.159 6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.252 -17.985 8.422 1.00 0.00 H new ATOM 486 N ALA A 40 12.544 -15.378 1.593 1.00 0.00 N ATOM 487 CA ALA A 40 12.671 -14.484 0.448 1.00 0.00 C ATOM 488 C ALA A 40 11.837 -13.223 0.642 1.00 0.00 C ATOM 489 O ALA A 40 10.634 -13.293 0.883 1.00 0.00 O ATOM 490 CB ALA A 40 12.256 -15.202 -0.828 1.00 0.00 C ATOM 0 H ALA A 40 11.803 -16.073 1.505 1.00 0.00 H new ATOM 0 HA ALA A 40 13.716 -14.187 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.355 -14.524 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.896 -16.071 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.219 -15.526 -0.742 1.00 0.00 H new ATOM 496 N ASP A 41 12.486 -12.068 0.536 1.00 0.00 N ATOM 497 CA ASP A 41 11.806 -10.790 0.700 1.00 0.00 C ATOM 498 C ASP A 41 10.687 -10.632 -0.324 1.00 0.00 C ATOM 499 O ASP A 41 10.842 -10.993 -1.490 1.00 0.00 O ATOM 500 CB ASP A 41 12.802 -9.637 0.566 1.00 0.00 C ATOM 501 CG ASP A 41 13.852 -9.651 1.659 1.00 0.00 C ATOM 502 OD1 ASP A 41 13.495 -9.941 2.821 1.00 0.00 O ATOM 503 OD2 ASP A 41 15.031 -9.371 1.355 1.00 0.00 O ATOM 0 H ASP A 41 13.483 -11.992 0.337 1.00 0.00 H new ATOM 0 HA ASP A 41 11.366 -10.767 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.292 -9.695 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.263 -8.690 0.595 1.00 0.00 H new ATOM 508 N LEU A 42 9.560 -10.087 0.121 1.00 0.00 N ATOM 509 CA LEU A 42 8.412 -9.879 -0.754 1.00 0.00 C ATOM 510 C LEU A 42 8.331 -8.424 -1.209 1.00 0.00 C ATOM 511 O LEU A 42 7.837 -8.131 -2.297 1.00 0.00 O ATOM 512 CB LEU A 42 7.117 -10.274 -0.036 1.00 0.00 C ATOM 513 CG LEU A 42 7.150 -11.626 0.681 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.762 -11.996 1.180 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.690 -12.708 -0.243 1.00 0.00 C ATOM 0 H LEU A 42 9.417 -9.781 1.083 1.00 0.00 H new ATOM 0 HA LEU A 42 8.539 -10.510 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.876 -9.501 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.307 -10.288 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 42 7.816 -11.544 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.803 -12.960 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.410 -11.234 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.077 -12.060 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.706 -13.662 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.050 -12.789 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.702 -12.449 -0.555 1.00 0.00 H new ATOM 527 N GLY A 43 8.816 -7.518 -0.366 1.00 0.00 N ATOM 528 CA GLY A 43 8.788 -6.104 -0.696 1.00 0.00 C ATOM 529 C GLY A 43 8.585 -5.232 0.527 1.00 0.00 C ATOM 530 O GLY A 43 8.520 -5.735 1.648 1.00 0.00 O ATOM 0 H GLY A 43 9.228 -7.738 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.723 -5.829 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.987 -5.916 -1.411 1.00 0.00 H new ATOM 534 N ILE A 44 8.480 -3.923 0.314 1.00 0.00 N ATOM 535 CA ILE A 44 8.279 -2.981 1.411 1.00 0.00 C ATOM 536 C ILE A 44 6.843 -2.467 1.423 1.00 0.00 C ATOM 537 O ILE A 44 6.258 -2.215 0.371 1.00 0.00 O ATOM 538 CB ILE A 44 9.250 -1.781 1.334 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.557 -1.427 -0.126 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.535 -2.086 2.100 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.655 -2.267 -0.739 1.00 0.00 C ATOM 0 H ILE A 44 8.531 -3.491 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 44 8.483 -3.525 2.333 1.00 0.00 H new ATOM 0 HB ILE A 44 8.771 -0.918 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.649 -1.545 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.841 -0.376 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.208 -1.231 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.297 -2.283 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.018 -2.962 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.815 -1.959 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.576 -2.131 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.366 -3.318 -0.715 1.00 0.00 H new ATOM 553 N PHE A 45 6.276 -2.331 2.617 1.00 0.00 N ATOM 554 CA PHE A 45 4.902 -1.867 2.765 1.00 0.00 C ATOM 555 C PHE A 45 4.813 -0.686 3.724 1.00 0.00 C ATOM 556 O PHE A 45 5.470 -0.669 4.766 1.00 0.00 O ATOM 557 CB PHE A 45 4.013 -3.006 3.271 1.00 0.00 C ATOM 558 CG PHE A 45 4.386 -4.356 2.722 1.00 0.00 C ATOM 559 CD1 PHE A 45 3.919 -4.768 1.485 1.00 0.00 C ATOM 560 CD2 PHE A 45 5.205 -5.210 3.445 1.00 0.00 C ATOM 561 CE1 PHE A 45 4.263 -6.009 0.979 1.00 0.00 C ATOM 562 CE2 PHE A 45 5.551 -6.450 2.944 1.00 0.00 C ATOM 563 CZ PHE A 45 5.078 -6.849 1.710 1.00 0.00 C ATOM 0 H PHE A 45 6.748 -2.536 3.498 1.00 0.00 H new ATOM 0 HA PHE A 45 4.556 -1.539 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.065 -3.039 4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.977 -2.791 3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.280 -4.114 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.577 -4.902 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.894 -6.320 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.190 -7.106 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.346 -7.819 1.317 1.00 0.00 H new ATOM 573 N VAL A 46 3.984 0.293 3.374 1.00 0.00 N ATOM 574 CA VAL A 46 3.796 1.471 4.215 1.00 0.00 C ATOM 575 C VAL A 46 3.316 1.056 5.601 1.00 0.00 C ATOM 576 O VAL A 46 2.168 0.655 5.774 1.00 0.00 O ATOM 577 CB VAL A 46 2.779 2.453 3.597 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.638 3.698 4.462 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.191 2.831 2.182 1.00 0.00 C ATOM 0 H VAL A 46 3.433 0.294 2.516 1.00 0.00 H new ATOM 0 HA VAL A 46 4.759 1.976 4.292 1.00 0.00 H new ATOM 0 HB VAL A 46 1.810 1.956 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.916 4.377 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.293 3.413 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.604 4.196 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.461 3.524 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.172 3.306 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.236 1.934 1.564 1.00 0.00 H new ATOM 589 N LYS A 47 4.209 1.143 6.582 1.00 0.00 N ATOM 590 CA LYS A 47 3.879 0.768 7.951 1.00 0.00 C ATOM 591 C LYS A 47 3.030 1.843 8.619 1.00 0.00 C ATOM 592 O LYS A 47 2.081 1.540 9.342 1.00 0.00 O ATOM 593 CB LYS A 47 5.158 0.537 8.761 1.00 0.00 C ATOM 594 CG LYS A 47 4.904 0.219 10.227 1.00 0.00 C ATOM 595 CD LYS A 47 3.994 -0.989 10.386 1.00 0.00 C ATOM 596 CE LYS A 47 4.596 -2.026 11.323 1.00 0.00 C ATOM 597 NZ LYS A 47 4.771 -1.491 12.703 1.00 0.00 N ATOM 0 H LYS A 47 5.167 1.470 6.453 1.00 0.00 H new ATOM 0 HA LYS A 47 3.304 -0.157 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.719 -0.283 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.785 1.426 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.853 0.030 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.452 1.083 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.026 -0.668 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.814 -1.441 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.953 -2.905 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.561 -2.350 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.022 -2.268 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.530 -0.780 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.884 -1.051 13.020 1.00 0.00 H new ATOM 611 N SER A 48 3.378 3.100 8.373 1.00 0.00 N ATOM 612 CA SER A 48 2.646 4.219 8.952 1.00 0.00 C ATOM 613 C SER A 48 3.048 5.534 8.295 1.00 0.00 C ATOM 614 O SER A 48 4.219 5.911 8.299 1.00 0.00 O ATOM 615 CB SER A 48 2.895 4.293 10.459 1.00 0.00 C ATOM 616 OG SER A 48 2.000 5.198 11.082 1.00 0.00 O ATOM 0 H SER A 48 4.161 3.370 7.778 1.00 0.00 H new ATOM 0 HA SER A 48 1.583 4.055 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.779 3.302 10.899 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.922 4.607 10.646 1.00 0.00 H new ATOM 0 HG SER A 48 2.180 5.225 12.045 1.00 0.00 H new ATOM 622 N ILE A 49 2.066 6.229 7.732 1.00 0.00 N ATOM 623 CA ILE A 49 2.312 7.502 7.068 1.00 0.00 C ATOM 624 C ILE A 49 2.219 8.662 8.050 1.00 0.00 C ATOM 625 O ILE A 49 1.192 8.859 8.702 1.00 0.00 O ATOM 626 CB ILE A 49 1.308 7.737 5.921 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.356 6.577 4.932 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.590 9.053 5.208 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.265 6.641 3.889 1.00 0.00 C ATOM 0 H ILE A 49 1.091 5.931 7.723 1.00 0.00 H new ATOM 0 HA ILE A 49 3.321 7.456 6.659 1.00 0.00 H new ATOM 0 HB ILE A 49 0.308 7.793 6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.326 6.572 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.273 5.638 5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.867 9.193 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.508 9.876 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.597 9.033 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.354 5.788 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.708 6.616 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.361 7.565 3.318 1.00 0.00 H new ATOM 641 N ILE A 50 3.293 9.436 8.141 1.00 0.00 N ATOM 642 CA ILE A 50 3.328 10.588 9.029 1.00 0.00 C ATOM 643 C ILE A 50 2.242 11.587 8.640 1.00 0.00 C ATOM 644 O ILE A 50 2.329 12.232 7.597 1.00 0.00 O ATOM 645 CB ILE A 50 4.711 11.283 8.995 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.732 10.461 9.781 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.631 12.698 9.560 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.689 9.674 8.911 1.00 0.00 C ATOM 0 H ILE A 50 4.151 9.286 7.610 1.00 0.00 H new ATOM 0 HA ILE A 50 3.148 10.232 10.043 1.00 0.00 H new ATOM 0 HB ILE A 50 5.030 11.351 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.306 11.130 10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.201 9.770 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.617 13.161 9.523 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.931 13.287 8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.287 12.658 10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.381 9.118 9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.126 8.978 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.249 10.359 8.274 1.00 0.00 H new ATOM 660 N ASN A 51 1.218 11.702 9.481 1.00 0.00 N ATOM 661 CA ASN A 51 0.114 12.621 9.218 1.00 0.00 C ATOM 662 C ASN A 51 0.593 14.069 9.237 1.00 0.00 C ATOM 663 O ASN A 51 0.308 14.820 10.169 1.00 0.00 O ATOM 664 CB ASN A 51 -1.011 12.424 10.241 1.00 0.00 C ATOM 665 CG ASN A 51 -0.493 12.245 11.656 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.602 11.164 12.235 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.072 13.305 12.219 1.00 0.00 N ATOM 0 H ASN A 51 1.129 11.172 10.348 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.275 12.400 8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.679 13.284 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.601 11.551 9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.438 13.244 13.169 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.141 14.181 11.702 1.00 0.00 H new ATOM 674 N GLY A 52 1.327 14.448 8.198 1.00 0.00 N ATOM 675 CA GLY A 52 1.843 15.798 8.102 1.00 0.00 C ATOM 676 C GLY A 52 2.961 15.918 7.084 1.00 0.00 C ATOM 677 O GLY A 52 3.191 16.994 6.531 1.00 0.00 O ATOM 0 H GLY A 52 1.574 13.840 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.033 16.475 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.209 16.115 9.079 1.00 0.00 H new ATOM 681 N GLY A 53 3.661 14.812 6.835 1.00 0.00 N ATOM 682 CA GLY A 53 4.751 14.829 5.881 1.00 0.00 C ATOM 683 C GLY A 53 4.280 14.958 4.444 1.00 0.00 C ATOM 684 O GLY A 53 3.119 15.273 4.185 1.00 0.00 O ATOM 0 H GLY A 53 3.491 13.909 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.418 15.659 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.333 13.913 5.986 1.00 0.00 H new ATOM 688 N ALA A 54 5.196 14.720 3.514 1.00 0.00 N ATOM 689 CA ALA A 54 4.902 14.814 2.088 1.00 0.00 C ATOM 690 C ALA A 54 3.897 13.762 1.634 1.00 0.00 C ATOM 691 O ALA A 54 2.993 14.052 0.851 1.00 0.00 O ATOM 692 CB ALA A 54 6.189 14.677 1.291 1.00 0.00 C ATOM 0 H ALA A 54 6.159 14.458 3.724 1.00 0.00 H new ATOM 0 HA ALA A 54 4.452 15.791 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.967 14.748 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.877 15.474 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.647 13.711 1.503 1.00 0.00 H new ATOM 698 N ALA A 55 4.071 12.538 2.112 1.00 0.00 N ATOM 699 CA ALA A 55 3.185 11.441 1.735 1.00 0.00 C ATOM 700 C ALA A 55 1.766 11.676 2.223 1.00 0.00 C ATOM 701 O ALA A 55 0.802 11.473 1.484 1.00 0.00 O ATOM 702 CB ALA A 55 3.712 10.125 2.278 1.00 0.00 C ATOM 0 H ALA A 55 4.815 12.278 2.760 1.00 0.00 H new ATOM 0 HA ALA A 55 3.162 11.395 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.040 9.317 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.705 9.935 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.770 10.177 3.365 1.00 0.00 H new ATOM 708 N SER A 56 1.644 12.109 3.467 1.00 0.00 N ATOM 709 CA SER A 56 0.336 12.374 4.050 1.00 0.00 C ATOM 710 C SER A 56 -0.316 13.567 3.364 1.00 0.00 C ATOM 711 O SER A 56 -1.540 13.653 3.266 1.00 0.00 O ATOM 712 CB SER A 56 0.471 12.643 5.548 1.00 0.00 C ATOM 713 OG SER A 56 0.329 11.447 6.297 1.00 0.00 O ATOM 0 H SER A 56 2.431 12.284 4.092 1.00 0.00 H new ATOM 0 HA SER A 56 -0.294 11.497 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.443 13.091 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.285 13.363 5.861 1.00 0.00 H new ATOM 0 HG SER A 56 -0.620 11.290 6.487 1.00 0.00 H new ATOM 719 N LYS A 57 0.519 14.486 2.887 1.00 0.00 N ATOM 720 CA LYS A 57 0.043 15.678 2.205 1.00 0.00 C ATOM 721 C LYS A 57 -0.355 15.371 0.768 1.00 0.00 C ATOM 722 O LYS A 57 -1.253 16.003 0.211 1.00 0.00 O ATOM 723 CB LYS A 57 1.118 16.747 2.236 1.00 0.00 C ATOM 724 CG LYS A 57 1.218 17.414 3.588 1.00 0.00 C ATOM 725 CD LYS A 57 2.331 18.428 3.613 1.00 0.00 C ATOM 726 CE LYS A 57 1.818 19.808 3.248 1.00 0.00 C ATOM 727 NZ LYS A 57 2.809 20.874 3.561 1.00 0.00 N ATOM 0 H LYS A 57 1.534 14.424 2.963 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.844 16.041 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.079 16.301 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.903 17.499 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.273 17.901 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.391 16.661 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.781 18.454 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.114 18.131 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.579 19.836 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.892 20.005 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.418 21.800 3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.018 20.865 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.684 20.702 3.026 1.00 0.00 H new ATOM 741 N ASP A 58 0.320 14.392 0.172 1.00 0.00 N ATOM 742 CA ASP A 58 0.037 13.992 -1.203 1.00 0.00 C ATOM 743 C ASP A 58 -1.438 13.641 -1.370 1.00 0.00 C ATOM 744 O ASP A 58 -2.014 13.828 -2.442 1.00 0.00 O ATOM 745 CB ASP A 58 0.910 12.798 -1.595 1.00 0.00 C ATOM 746 CG ASP A 58 1.617 13.009 -2.919 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.838 14.180 -3.292 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.948 12.004 -3.581 1.00 0.00 O ATOM 0 H ASP A 58 1.067 13.861 0.620 1.00 0.00 H new ATOM 0 HA ASP A 58 0.268 14.831 -1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.651 12.621 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.291 11.903 -1.655 1.00 0.00 H new ATOM 753 N GLY A 59 -2.043 13.138 -0.299 1.00 0.00 N ATOM 754 CA GLY A 59 -3.448 12.778 -0.341 1.00 0.00 C ATOM 755 C GLY A 59 -3.721 11.534 -1.168 1.00 0.00 C ATOM 756 O GLY A 59 -4.855 11.301 -1.587 1.00 0.00 O ATOM 0 H GLY A 59 -1.585 12.973 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.806 12.616 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.018 13.612 -0.751 1.00 0.00 H new ATOM 760 N ARG A 60 -2.688 10.728 -1.402 1.00 0.00 N ATOM 761 CA ARG A 60 -2.842 9.503 -2.179 1.00 0.00 C ATOM 762 C ARG A 60 -1.974 8.383 -1.612 1.00 0.00 C ATOM 763 O ARG A 60 -1.711 7.386 -2.287 1.00 0.00 O ATOM 764 CB ARG A 60 -2.485 9.753 -3.646 1.00 0.00 C ATOM 765 CG ARG A 60 -1.024 10.105 -3.866 1.00 0.00 C ATOM 766 CD ARG A 60 -0.857 11.095 -5.006 1.00 0.00 C ATOM 767 NE ARG A 60 -0.655 12.457 -4.519 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.383 13.494 -5.307 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.310 13.336 -6.624 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.185 14.694 -4.779 1.00 0.00 N ATOM 0 H ARG A 60 -1.740 10.901 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.885 9.193 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.727 8.863 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.107 10.562 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.609 10.528 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.459 9.199 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.007 10.800 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.739 11.065 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.727 12.623 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.463 12.416 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.101 14.135 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.241 14.822 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.024 15.489 -5.383 1.00 0.00 H new ATOM 784 N LEU A 61 -1.535 8.550 -0.369 1.00 0.00 N ATOM 785 CA LEU A 61 -0.703 7.553 0.292 1.00 0.00 C ATOM 786 C LEU A 61 -1.442 6.934 1.473 1.00 0.00 C ATOM 787 O LEU A 61 -1.998 7.644 2.310 1.00 0.00 O ATOM 788 CB LEU A 61 0.608 8.186 0.765 1.00 0.00 C ATOM 789 CG LEU A 61 1.845 7.790 -0.049 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.540 9.022 -0.616 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.809 6.976 0.803 1.00 0.00 C ATOM 0 H LEU A 61 -1.743 9.369 0.202 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.476 6.765 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.503 9.270 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.773 7.911 1.807 1.00 0.00 H new ATOM 0 HG LEU A 61 1.517 7.171 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.415 8.715 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.851 9.562 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.852 9.672 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.681 6.704 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.126 7.569 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.311 6.071 1.151 1.00 0.00 H new ATOM 803 N ARG A 62 -1.444 5.608 1.535 1.00 0.00 N ATOM 804 CA ARG A 62 -2.116 4.895 2.616 1.00 0.00 C ATOM 805 C ARG A 62 -1.287 3.705 3.088 1.00 0.00 C ATOM 806 O ARG A 62 -0.646 3.024 2.289 1.00 0.00 O ATOM 807 CB ARG A 62 -3.505 4.423 2.179 1.00 0.00 C ATOM 808 CG ARG A 62 -3.593 4.042 0.711 1.00 0.00 C ATOM 809 CD ARG A 62 -4.482 5.002 -0.062 1.00 0.00 C ATOM 810 NE ARG A 62 -4.303 4.871 -1.506 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.597 5.831 -2.379 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.093 6.990 -1.965 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.396 5.628 -3.673 1.00 0.00 N ATOM 0 H ARG A 62 -0.988 5.004 0.850 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.228 5.591 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.793 3.564 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.227 5.214 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.594 4.038 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.984 3.029 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.525 4.815 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.259 6.025 0.240 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.931 3.992 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.252 7.151 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.315 7.720 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.017 4.738 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.620 6.362 -4.345 1.00 0.00 H new ATOM 827 N VAL A 63 -1.307 3.466 4.394 1.00 0.00 N ATOM 828 CA VAL A 63 -0.563 2.362 4.991 1.00 0.00 C ATOM 829 C VAL A 63 -0.907 1.036 4.311 1.00 0.00 C ATOM 830 O VAL A 63 -2.003 0.873 3.777 1.00 0.00 O ATOM 831 CB VAL A 63 -0.855 2.267 6.505 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.072 1.135 7.157 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.534 3.592 7.179 1.00 0.00 C ATOM 0 H VAL A 63 -1.834 4.026 5.064 1.00 0.00 H new ATOM 0 HA VAL A 63 0.499 2.560 4.846 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.915 2.047 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.303 1.099 8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.348 0.188 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.996 1.307 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.742 3.517 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.519 3.830 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.149 4.380 6.744 1.00 0.00 H new ATOM 843 N ASN A 64 0.044 0.101 4.332 1.00 0.00 N ATOM 844 CA ASN A 64 -0.130 -1.219 3.722 1.00 0.00 C ATOM 845 C ASN A 64 0.043 -1.162 2.205 1.00 0.00 C ATOM 846 O ASN A 64 -0.295 -2.113 1.500 1.00 0.00 O ATOM 847 CB ASN A 64 -1.497 -1.823 4.076 1.00 0.00 C ATOM 848 CG ASN A 64 -1.427 -2.734 5.286 1.00 0.00 C ATOM 849 OD1 ASN A 64 -0.766 -3.772 5.259 1.00 0.00 O ATOM 850 ND2 ASN A 64 -2.112 -2.347 6.356 1.00 0.00 N ATOM 0 H ASN A 64 0.955 0.236 4.771 1.00 0.00 H new ATOM 0 HA ASN A 64 0.648 -1.864 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.208 -1.020 4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.876 -2.385 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.104 -2.918 7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.646 -1.478 6.333 1.00 0.00 H new ATOM 857 N ASP A 65 0.587 -0.053 1.710 1.00 0.00 N ATOM 858 CA ASP A 65 0.820 0.105 0.280 1.00 0.00 C ATOM 859 C ASP A 65 2.223 -0.372 -0.078 1.00 0.00 C ATOM 860 O ASP A 65 3.216 0.213 0.354 1.00 0.00 O ATOM 861 CB ASP A 65 0.640 1.567 -0.134 1.00 0.00 C ATOM 862 CG ASP A 65 -0.783 1.879 -0.554 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.716 1.505 0.187 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.963 2.496 -1.626 1.00 0.00 O ATOM 0 H ASP A 65 0.873 0.745 2.277 1.00 0.00 H new ATOM 0 HA ASP A 65 0.091 -0.500 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.921 2.214 0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.317 1.794 -0.958 1.00 0.00 H new ATOM 869 N GLN A 66 2.299 -1.443 -0.859 1.00 0.00 N ATOM 870 CA GLN A 66 3.583 -2.001 -1.261 1.00 0.00 C ATOM 871 C GLN A 66 4.284 -1.092 -2.263 1.00 0.00 C ATOM 872 O GLN A 66 3.646 -0.521 -3.144 1.00 0.00 O ATOM 873 CB GLN A 66 3.388 -3.391 -1.865 1.00 0.00 C ATOM 874 CG GLN A 66 4.624 -4.272 -1.780 1.00 0.00 C ATOM 875 CD GLN A 66 5.470 -4.211 -3.036 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.947 -4.181 -4.151 1.00 0.00 O ATOM 877 NE2 GLN A 66 6.786 -4.191 -2.862 1.00 0.00 N ATOM 0 H GLN A 66 1.488 -1.941 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 66 4.210 -2.081 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.563 -3.887 -1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.098 -3.286 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.227 -3.965 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.319 -5.303 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.176 -4.217 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.407 -4.149 -3.670 1.00 0.00 H new ATOM 886 N LEU A 67 5.599 -0.960 -2.118 1.00 0.00 N ATOM 887 CA LEU A 67 6.383 -0.115 -3.012 1.00 0.00 C ATOM 888 C LEU A 67 7.050 -0.942 -4.105 1.00 0.00 C ATOM 889 O LEU A 67 7.674 -1.968 -3.832 1.00 0.00 O ATOM 890 CB LEU A 67 7.441 0.655 -2.222 1.00 0.00 C ATOM 891 CG LEU A 67 6.900 1.472 -1.048 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.022 1.841 -0.090 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.189 2.722 -1.549 1.00 0.00 C ATOM 0 H LEU A 67 6.143 -1.426 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 67 5.704 0.594 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.178 -0.053 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.964 1.327 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 67 6.178 0.860 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.617 2.422 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.484 0.933 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.770 2.433 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.811 3.291 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.889 3.337 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.357 2.434 -2.192 1.00 0.00 H new ATOM 905 N ILE A 68 6.914 -0.485 -5.343 1.00 0.00 N ATOM 906 CA ILE A 68 7.502 -1.175 -6.485 1.00 0.00 C ATOM 907 C ILE A 68 8.558 -0.308 -7.159 1.00 0.00 C ATOM 908 O ILE A 68 9.644 -0.782 -7.492 1.00 0.00 O ATOM 909 CB ILE A 68 6.429 -1.555 -7.524 1.00 0.00 C ATOM 910 CG1 ILE A 68 5.258 -2.268 -6.845 1.00 0.00 C ATOM 911 CG2 ILE A 68 7.034 -2.431 -8.613 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.963 -1.490 -6.901 1.00 0.00 C ATOM 0 H ILE A 68 6.400 0.363 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 68 7.966 -2.085 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 68 6.052 -0.643 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.110 -3.239 -7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.514 -2.458 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.265 -2.692 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.836 -1.888 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.435 -3.341 -8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.177 -2.055 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.093 -0.530 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.684 -1.323 -7.941 1.00 0.00 H new ATOM 924 N ALA A 69 8.230 0.963 -7.359 1.00 0.00 N ATOM 925 CA ALA A 69 9.152 1.897 -7.996 1.00 0.00 C ATOM 926 C ALA A 69 9.155 3.246 -7.281 1.00 0.00 C ATOM 927 O ALA A 69 8.147 3.663 -6.712 1.00 0.00 O ATOM 928 CB ALA A 69 8.795 2.071 -9.464 1.00 0.00 C ATOM 0 H ALA A 69 7.334 1.370 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 69 10.157 1.481 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.491 2.770 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.858 1.108 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.780 2.460 -9.548 1.00 0.00 H new ATOM 934 N VAL A 70 10.299 3.923 -7.323 1.00 0.00 N ATOM 935 CA VAL A 70 10.447 5.226 -6.688 1.00 0.00 C ATOM 936 C VAL A 70 11.290 6.155 -7.558 1.00 0.00 C ATOM 937 O VAL A 70 12.422 5.831 -7.907 1.00 0.00 O ATOM 938 CB VAL A 70 11.098 5.101 -5.295 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.464 4.438 -5.401 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.210 6.462 -4.622 1.00 0.00 C ATOM 0 H VAL A 70 11.140 3.588 -7.793 1.00 0.00 H new ATOM 0 HA VAL A 70 9.448 5.646 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 70 10.458 4.472 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.908 4.358 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.353 3.442 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.111 5.038 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.672 6.346 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.822 7.122 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.216 6.893 -4.506 1.00 0.00 H new ATOM 950 N ASN A 71 10.724 7.307 -7.910 1.00 0.00 N ATOM 951 CA ASN A 71 11.419 8.285 -8.748 1.00 0.00 C ATOM 952 C ASN A 71 11.653 7.748 -10.160 1.00 0.00 C ATOM 953 O ASN A 71 12.399 8.344 -10.939 1.00 0.00 O ATOM 954 CB ASN A 71 12.757 8.683 -8.117 1.00 0.00 C ATOM 955 CG ASN A 71 12.586 9.574 -6.903 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.300 10.764 -7.030 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.762 8.999 -5.720 1.00 0.00 N ATOM 0 H ASN A 71 9.785 7.588 -7.628 1.00 0.00 H new ATOM 0 HA ASN A 71 10.780 9.165 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.301 7.783 -7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.365 9.199 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.661 9.548 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.998 8.008 -5.665 1.00 0.00 H new ATOM 964 N GLY A 72 11.018 6.626 -10.491 1.00 0.00 N ATOM 965 CA GLY A 72 11.179 6.047 -11.812 1.00 0.00 C ATOM 966 C GLY A 72 11.984 4.761 -11.797 1.00 0.00 C ATOM 967 O GLY A 72 11.936 3.982 -12.749 1.00 0.00 O ATOM 0 H GLY A 72 10.396 6.109 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.196 5.850 -12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.670 6.770 -12.463 1.00 0.00 H new ATOM 971 N GLU A 73 12.730 4.537 -10.720 1.00 0.00 N ATOM 972 CA GLU A 73 13.548 3.336 -10.595 1.00 0.00 C ATOM 973 C GLU A 73 12.802 2.238 -9.846 1.00 0.00 C ATOM 974 O GLU A 73 12.458 2.393 -8.675 1.00 0.00 O ATOM 975 CB GLU A 73 14.862 3.656 -9.880 1.00 0.00 C ATOM 976 CG GLU A 73 14.692 4.544 -8.659 1.00 0.00 C ATOM 977 CD GLU A 73 15.941 4.602 -7.803 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.624 3.563 -7.677 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.240 5.687 -7.260 1.00 0.00 O ATOM 0 H GLU A 73 12.785 5.170 -9.922 1.00 0.00 H new ATOM 0 HA GLU A 73 13.768 2.977 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.337 2.723 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.538 4.144 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.429 5.552 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.861 4.174 -8.058 1.00 0.00 H new ATOM 986 N SER A 74 12.558 1.124 -10.530 1.00 0.00 N ATOM 987 CA SER A 74 11.856 -0.005 -9.931 1.00 0.00 C ATOM 988 C SER A 74 12.789 -0.797 -9.021 1.00 0.00 C ATOM 989 O SER A 74 13.957 -1.006 -9.349 1.00 0.00 O ATOM 990 CB SER A 74 11.288 -0.918 -11.020 1.00 0.00 C ATOM 991 OG SER A 74 10.024 -1.435 -10.644 1.00 0.00 O ATOM 0 H SER A 74 12.837 0.980 -11.501 1.00 0.00 H new ATOM 0 HA SER A 74 11.033 0.384 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.194 -0.362 -11.953 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.979 -1.740 -11.207 1.00 0.00 H new ATOM 0 HG SER A 74 9.882 -1.288 -9.686 1.00 0.00 H new ATOM 997 N LEU A 75 12.270 -1.233 -7.879 1.00 0.00 N ATOM 998 CA LEU A 75 13.066 -2.000 -6.923 1.00 0.00 C ATOM 999 C LEU A 75 12.489 -3.399 -6.712 1.00 0.00 C ATOM 1000 O LEU A 75 12.872 -4.100 -5.775 1.00 0.00 O ATOM 1001 CB LEU A 75 13.157 -1.265 -5.580 1.00 0.00 C ATOM 1002 CG LEU A 75 12.170 -0.112 -5.391 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.796 -0.640 -5.011 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.681 0.858 -4.337 1.00 0.00 C ATOM 0 H LEU A 75 11.305 -1.070 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 75 14.068 -2.103 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.002 -1.988 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.169 -0.876 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 75 12.081 0.423 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.108 0.196 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.427 -1.295 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.867 -1.200 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.967 1.672 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.800 0.335 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.643 1.263 -4.651 1.00 0.00 H new ATOM 1016 N LEU A 76 11.567 -3.802 -7.583 1.00 0.00 N ATOM 1017 CA LEU A 76 10.944 -5.117 -7.481 1.00 0.00 C ATOM 1018 C LEU A 76 11.981 -6.232 -7.605 1.00 0.00 C ATOM 1019 O LEU A 76 11.741 -7.363 -7.180 1.00 0.00 O ATOM 1020 CB LEU A 76 9.874 -5.281 -8.562 1.00 0.00 C ATOM 1021 CG LEU A 76 8.910 -6.450 -8.348 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.649 -5.980 -7.640 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.564 -7.106 -9.676 1.00 0.00 C ATOM 0 H LEU A 76 11.236 -3.237 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 76 10.478 -5.191 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.295 -4.359 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.369 -5.410 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 76 9.402 -7.190 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.976 -6.825 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.912 -5.557 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.154 -5.220 -8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.878 -7.935 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.092 -6.374 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.474 -7.480 -10.145 1.00 0.00 H new ATOM 1035 N GLY A 77 13.130 -5.911 -8.192 1.00 0.00 N ATOM 1036 CA GLY A 77 14.177 -6.902 -8.362 1.00 0.00 C ATOM 1037 C GLY A 77 15.072 -7.031 -7.143 1.00 0.00 C ATOM 1038 O GLY A 77 15.685 -8.076 -6.928 1.00 0.00 O ATOM 0 H GLY A 77 13.354 -4.984 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.723 -7.869 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.785 -6.636 -9.226 1.00 0.00 H new ATOM 1042 N LYS A 78 15.150 -5.970 -6.348 1.00 0.00 N ATOM 1043 CA LYS A 78 15.982 -5.977 -5.149 1.00 0.00 C ATOM 1044 C LYS A 78 15.158 -6.272 -3.907 1.00 0.00 C ATOM 1045 O LYS A 78 13.944 -6.073 -3.883 1.00 0.00 O ATOM 1046 CB LYS A 78 16.709 -4.642 -4.991 1.00 0.00 C ATOM 1047 CG LYS A 78 15.780 -3.438 -4.950 1.00 0.00 C ATOM 1048 CD LYS A 78 16.547 -2.151 -4.692 1.00 0.00 C ATOM 1049 CE LYS A 78 17.534 -1.851 -5.809 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.787 -1.235 -5.295 1.00 0.00 N ATOM 0 H LYS A 78 14.649 -5.096 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 78 16.720 -6.770 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.298 -4.666 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.410 -4.521 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.243 -3.359 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.033 -3.580 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.845 -1.323 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.082 -2.229 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.774 -2.773 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.070 -1.180 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.495 -1.202 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.589 -0.269 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.154 -1.803 -4.505 1.00 0.00 H new ATOM 1064 N ALA A 79 15.839 -6.756 -2.880 1.00 0.00 N ATOM 1065 CA ALA A 79 15.200 -7.096 -1.620 1.00 0.00 C ATOM 1066 C ALA A 79 14.470 -5.894 -1.028 1.00 0.00 C ATOM 1067 O ALA A 79 14.664 -4.759 -1.468 1.00 0.00 O ATOM 1068 CB ALA A 79 16.243 -7.622 -0.652 1.00 0.00 C ATOM 0 H ALA A 79 16.845 -6.923 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 79 14.455 -7.871 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.765 -7.878 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.714 -8.510 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.000 -6.856 -0.481 1.00 0.00 H new ATOM 1074 N ASN A 80 13.626 -6.148 -0.034 1.00 0.00 N ATOM 1075 CA ASN A 80 12.866 -5.082 0.609 1.00 0.00 C ATOM 1076 C ASN A 80 13.793 -4.086 1.299 1.00 0.00 C ATOM 1077 O ASN A 80 13.554 -2.879 1.261 1.00 0.00 O ATOM 1078 CB ASN A 80 11.872 -5.661 1.618 1.00 0.00 C ATOM 1079 CG ASN A 80 12.527 -6.574 2.634 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.486 -6.193 3.306 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.006 -7.788 2.757 1.00 0.00 N ATOM 0 H ASN A 80 13.451 -7.079 0.343 1.00 0.00 H new ATOM 0 HA ASN A 80 12.312 -4.554 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.374 -4.844 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.101 -6.215 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.400 -8.447 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.211 -8.063 2.180 1.00 0.00 H new ATOM 1088 N GLN A 81 14.853 -4.593 1.921 1.00 0.00 N ATOM 1089 CA GLN A 81 15.813 -3.739 2.613 1.00 0.00 C ATOM 1090 C GLN A 81 16.572 -2.871 1.614 1.00 0.00 C ATOM 1091 O GLN A 81 16.787 -1.678 1.839 1.00 0.00 O ATOM 1092 CB GLN A 81 16.797 -4.582 3.425 1.00 0.00 C ATOM 1093 CG GLN A 81 17.396 -5.742 2.650 1.00 0.00 C ATOM 1094 CD GLN A 81 18.757 -5.417 2.074 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.902 -5.598 0.767 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.669 -5.010 2.794 1.00 0.00 N flip ATOM 0 H GLN A 81 15.069 -5.589 1.960 1.00 0.00 H new ATOM 0 HA GLN A 81 15.262 -3.092 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.603 -3.940 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.287 -4.971 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.481 -6.608 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.721 -6.021 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.512 -4.886 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.581 -4.797 2.390 1.00 0.00 H new ATOM 1105 N GLU A 82 16.956 -3.477 0.499 1.00 0.00 N ATOM 1106 CA GLU A 82 17.671 -2.769 -0.551 1.00 0.00 C ATOM 1107 C GLU A 82 16.730 -1.803 -1.249 1.00 0.00 C ATOM 1108 O GLU A 82 17.125 -0.711 -1.660 1.00 0.00 O ATOM 1109 CB GLU A 82 18.263 -3.759 -1.558 1.00 0.00 C ATOM 1110 CG GLU A 82 19.781 -3.803 -1.548 1.00 0.00 C ATOM 1111 CD GLU A 82 20.393 -3.115 -2.754 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.799 -3.200 -3.850 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.466 -2.494 -2.601 1.00 0.00 O ATOM 0 H GLU A 82 16.783 -4.462 0.299 1.00 0.00 H new ATOM 0 HA GLU A 82 18.491 -2.207 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.878 -4.756 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.922 -3.494 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.148 -3.328 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.110 -4.842 -1.521 1.00 0.00 H new ATOM 1120 N ALA A 83 15.473 -2.218 -1.371 1.00 0.00 N ATOM 1121 CA ALA A 83 14.461 -1.400 -2.010 1.00 0.00 C ATOM 1122 C ALA A 83 14.137 -0.184 -1.154 1.00 0.00 C ATOM 1123 O ALA A 83 14.083 0.942 -1.649 1.00 0.00 O ATOM 1124 CB ALA A 83 13.210 -2.222 -2.277 1.00 0.00 C ATOM 0 H ALA A 83 15.135 -3.119 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 83 14.850 -1.047 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.458 -1.595 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.457 -3.058 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.817 -2.603 -1.334 1.00 0.00 H new ATOM 1130 N MET A 84 13.940 -0.415 0.140 1.00 0.00 N ATOM 1131 CA MET A 84 13.644 0.671 1.067 1.00 0.00 C ATOM 1132 C MET A 84 14.811 1.645 1.116 1.00 0.00 C ATOM 1133 O MET A 84 14.624 2.844 1.313 1.00 0.00 O ATOM 1134 CB MET A 84 13.352 0.132 2.464 1.00 0.00 C ATOM 1135 CG MET A 84 14.514 -0.620 3.087 1.00 0.00 C ATOM 1136 SD MET A 84 14.166 -1.176 4.768 1.00 0.00 S ATOM 1137 CE MET A 84 12.404 -1.483 4.670 1.00 0.00 C ATOM 0 H MET A 84 13.980 -1.340 0.569 1.00 0.00 H new ATOM 0 HA MET A 84 12.756 1.193 0.711 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.079 0.963 3.114 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.488 -0.530 2.414 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.757 -1.483 2.467 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.394 0.023 3.097 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.051 -1.884 5.620 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.884 -0.550 4.454 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.204 -2.202 3.876 1.00 0.00 H new ATOM 1147 N GLU A 85 16.014 1.119 0.913 1.00 0.00 N ATOM 1148 CA GLU A 85 17.219 1.935 0.910 1.00 0.00 C ATOM 1149 C GLU A 85 17.326 2.689 -0.409 1.00 0.00 C ATOM 1150 O GLU A 85 17.811 3.820 -0.460 1.00 0.00 O ATOM 1151 CB GLU A 85 18.453 1.049 1.130 1.00 0.00 C ATOM 1152 CG GLU A 85 19.774 1.709 0.758 1.00 0.00 C ATOM 1153 CD GLU A 85 20.707 1.857 1.944 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.547 2.835 2.706 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.600 0.999 2.110 1.00 0.00 O ATOM 0 H GLU A 85 16.179 0.126 0.748 1.00 0.00 H new ATOM 0 HA GLU A 85 17.167 2.660 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.491 0.753 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.339 0.136 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.266 1.118 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.577 2.692 0.331 1.00 0.00 H new ATOM 1162 N THR A 86 16.861 2.049 -1.476 1.00 0.00 N ATOM 1163 CA THR A 86 16.891 2.645 -2.802 1.00 0.00 C ATOM 1164 C THR A 86 15.897 3.799 -2.888 1.00 0.00 C ATOM 1165 O THR A 86 16.164 4.812 -3.533 1.00 0.00 O ATOM 1166 CB THR A 86 16.580 1.579 -3.860 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.758 0.875 -4.217 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.977 2.128 -5.137 1.00 0.00 C ATOM 0 H THR A 86 16.457 1.113 -1.446 1.00 0.00 H new ATOM 0 HA THR A 86 17.888 3.042 -2.991 1.00 0.00 H new ATOM 0 HB THR A 86 15.843 0.928 -3.390 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.131 0.438 -3.423 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.788 1.309 -5.831 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.039 2.634 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.670 2.836 -5.591 1.00 0.00 H new ATOM 1176 N LEU A 87 14.761 3.650 -2.217 1.00 0.00 N ATOM 1177 CA LEU A 87 13.747 4.695 -2.207 1.00 0.00 C ATOM 1178 C LEU A 87 14.159 5.786 -1.238 1.00 0.00 C ATOM 1179 O LEU A 87 13.897 6.966 -1.457 1.00 0.00 O ATOM 1180 CB LEU A 87 12.366 4.137 -1.843 1.00 0.00 C ATOM 1181 CG LEU A 87 12.297 3.307 -0.561 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.079 4.206 0.648 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.186 2.274 -0.669 1.00 0.00 C ATOM 0 H LEU A 87 14.520 2.820 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 87 13.669 5.113 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.671 4.972 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.015 3.521 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 87 13.246 2.787 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.033 3.597 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.905 4.913 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.143 4.753 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.144 1.687 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.232 2.780 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.384 1.613 -1.513 1.00 0.00 H new ATOM 1195 N ARG A 88 14.822 5.372 -0.164 1.00 0.00 N ATOM 1196 CA ARG A 88 15.304 6.292 0.851 1.00 0.00 C ATOM 1197 C ARG A 88 16.261 7.307 0.235 1.00 0.00 C ATOM 1198 O ARG A 88 16.121 8.515 0.429 1.00 0.00 O ATOM 1199 CB ARG A 88 16.009 5.506 1.953 1.00 0.00 C ATOM 1200 CG ARG A 88 15.416 5.726 3.333 1.00 0.00 C ATOM 1201 CD ARG A 88 16.358 5.249 4.428 1.00 0.00 C ATOM 1202 NE ARG A 88 17.153 6.342 4.984 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.885 6.238 6.090 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.926 5.094 6.762 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.579 7.280 6.527 1.00 0.00 N ATOM 0 H ARG A 88 15.038 4.393 0.024 1.00 0.00 H new ATOM 0 HA ARG A 88 14.458 6.831 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.966 4.443 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.062 5.787 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.201 6.785 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.467 5.195 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.780 4.780 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.024 4.485 4.026 1.00 0.00 H new ATOM 0 HE ARG A 88 17.146 7.237 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.395 4.289 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.489 5.020 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.552 8.162 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.140 7.200 7.375 1.00 0.00 H new ATOM 1219 N ARG A 89 17.234 6.801 -0.514 1.00 0.00 N ATOM 1220 CA ARG A 89 18.215 7.652 -1.170 1.00 0.00 C ATOM 1221 C ARG A 89 17.580 8.387 -2.352 1.00 0.00 C ATOM 1222 O ARG A 89 17.893 9.546 -2.618 1.00 0.00 O ATOM 1223 CB ARG A 89 19.427 6.808 -1.609 1.00 0.00 C ATOM 1224 CG ARG A 89 19.619 6.673 -3.116 1.00 0.00 C ATOM 1225 CD ARG A 89 18.847 5.487 -3.667 1.00 0.00 C ATOM 1226 NE ARG A 89 19.660 4.671 -4.566 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.896 4.978 -5.840 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.384 6.083 -6.369 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.647 4.180 -6.585 1.00 0.00 N ATOM 0 H ARG A 89 17.363 5.803 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 89 18.566 8.408 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.328 7.249 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.327 5.810 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.288 7.586 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.679 6.556 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.492 4.871 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.966 5.845 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 89 20.072 3.815 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.807 6.701 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.568 6.314 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.044 3.331 -6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.828 4.415 -7.561 1.00 0.00 H new ATOM 1243 N SER A 90 16.687 7.699 -3.057 1.00 0.00 N ATOM 1244 CA SER A 90 16.009 8.275 -4.210 1.00 0.00 C ATOM 1245 C SER A 90 15.002 9.344 -3.788 1.00 0.00 C ATOM 1246 O SER A 90 14.724 10.276 -4.539 1.00 0.00 O ATOM 1247 CB SER A 90 15.298 7.180 -5.007 1.00 0.00 C ATOM 1248 OG SER A 90 14.903 7.650 -6.283 1.00 0.00 O ATOM 0 H SER A 90 16.416 6.738 -2.848 1.00 0.00 H new ATOM 0 HA SER A 90 16.765 8.748 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.960 6.322 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.423 6.836 -4.456 1.00 0.00 H new ATOM 0 HG SER A 90 14.994 6.928 -6.940 1.00 0.00 H new ATOM 1254 N MET A 91 14.449 9.193 -2.591 1.00 0.00 N ATOM 1255 CA MET A 91 13.464 10.139 -2.077 1.00 0.00 C ATOM 1256 C MET A 91 14.127 11.286 -1.320 1.00 0.00 C ATOM 1257 O MET A 91 13.539 12.358 -1.164 1.00 0.00 O ATOM 1258 CB MET A 91 12.467 9.419 -1.168 1.00 0.00 C ATOM 1259 CG MET A 91 13.039 9.014 0.184 1.00 0.00 C ATOM 1260 SD MET A 91 12.017 7.792 1.033 1.00 0.00 S ATOM 1261 CE MET A 91 10.389 8.245 0.444 1.00 0.00 C ATOM 0 H MET A 91 14.665 8.424 -1.957 1.00 0.00 H new ATOM 0 HA MET A 91 12.935 10.564 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.605 10.067 -1.007 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.104 8.527 -1.679 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.041 8.609 0.044 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.138 9.899 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.635 7.875 1.138 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.316 9.330 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.223 7.806 -0.540 1.00 0.00 H new ATOM 1271 N SER A 92 15.341 11.054 -0.835 1.00 0.00 N ATOM 1272 CA SER A 92 16.065 12.069 -0.076 1.00 0.00 C ATOM 1273 C SER A 92 17.315 12.553 -0.807 1.00 0.00 C ATOM 1274 O SER A 92 18.237 13.075 -0.180 1.00 0.00 O ATOM 1275 CB SER A 92 16.453 11.515 1.296 1.00 0.00 C ATOM 1276 OG SER A 92 16.084 12.409 2.332 1.00 0.00 O ATOM 0 H SER A 92 15.844 10.175 -0.953 1.00 0.00 H new ATOM 0 HA SER A 92 15.399 12.924 0.042 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.967 10.552 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.528 11.339 1.329 1.00 0.00 H new ATOM 0 HG SER A 92 16.342 12.030 3.198 1.00 0.00 H new ATOM 1282 N THR A 93 17.357 12.381 -2.127 1.00 0.00 N ATOM 1283 CA THR A 93 18.519 12.812 -2.896 1.00 0.00 C ATOM 1284 C THR A 93 18.168 13.122 -4.353 1.00 0.00 C ATOM 1285 O THR A 93 18.750 14.025 -4.953 1.00 0.00 O ATOM 1286 CB THR A 93 19.620 11.746 -2.815 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.861 12.334 -2.471 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.826 10.960 -4.096 1.00 0.00 C ATOM 0 H THR A 93 16.612 11.953 -2.677 1.00 0.00 H new ATOM 0 HA THR A 93 18.883 13.741 -2.457 1.00 0.00 H new ATOM 0 HB THR A 93 19.274 11.053 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.550 11.639 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.622 10.229 -3.951 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.903 10.444 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.102 11.641 -4.901 1.00 0.00 H new ATOM 1296 N GLU A 94 17.236 12.369 -4.924 1.00 0.00 N ATOM 1297 CA GLU A 94 16.840 12.575 -6.313 1.00 0.00 C ATOM 1298 C GLU A 94 15.415 13.108 -6.411 1.00 0.00 C ATOM 1299 O GLU A 94 15.119 13.971 -7.239 1.00 0.00 O ATOM 1300 CB GLU A 94 16.962 11.269 -7.098 1.00 0.00 C ATOM 1301 CG GLU A 94 18.242 10.507 -6.802 1.00 0.00 C ATOM 1302 CD GLU A 94 18.748 9.727 -8.000 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.908 10.335 -9.080 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.984 8.509 -7.858 1.00 0.00 O ATOM 0 H GLU A 94 16.742 11.613 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 94 17.511 13.318 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.107 10.633 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.917 11.489 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.011 11.208 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.068 9.820 -5.973 1.00 0.00 H new ATOM 1311 N GLY A 95 14.539 12.592 -5.561 1.00 0.00 N ATOM 1312 CA GLY A 95 13.158 13.032 -5.563 1.00 0.00 C ATOM 1313 C GLY A 95 13.013 14.438 -5.024 1.00 0.00 C ATOM 1314 O GLY A 95 12.124 15.185 -5.431 1.00 0.00 O ATOM 0 H GLY A 95 14.760 11.876 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.765 12.990 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.558 12.349 -4.961 1.00 0.00 H new ATOM 1318 N ASN A 96 13.901 14.794 -4.106 1.00 0.00 N ATOM 1319 CA ASN A 96 13.893 16.117 -3.502 1.00 0.00 C ATOM 1320 C ASN A 96 14.486 17.142 -4.466 1.00 0.00 C ATOM 1321 O ASN A 96 14.059 18.298 -4.499 1.00 0.00 O ATOM 1322 CB ASN A 96 14.675 16.081 -2.181 1.00 0.00 C ATOM 1323 CG ASN A 96 15.227 17.433 -1.773 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.447 18.479 -1.999 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.342 17.535 -1.260 1.00 0.00 N flip ATOM 0 H ASN A 96 14.640 14.180 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 96 12.866 16.415 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.023 15.709 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.499 15.373 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.910 16.702 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.698 18.452 -0.991 1.00 0.00 H new ATOM 1332 N LYS A 97 15.471 16.707 -5.250 1.00 0.00 N ATOM 1333 CA LYS A 97 16.134 17.574 -6.223 1.00 0.00 C ATOM 1334 C LYS A 97 15.142 18.494 -6.931 1.00 0.00 C ATOM 1335 O LYS A 97 15.384 19.693 -7.073 1.00 0.00 O ATOM 1336 CB LYS A 97 16.877 16.733 -7.248 1.00 0.00 C ATOM 1337 CG LYS A 97 18.265 16.352 -6.784 1.00 0.00 C ATOM 1338 CD LYS A 97 18.969 15.492 -7.806 1.00 0.00 C ATOM 1339 CE LYS A 97 19.335 16.293 -9.043 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.234 15.532 -9.954 1.00 0.00 N ATOM 0 H LYS A 97 15.830 15.752 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 97 16.841 18.200 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.305 15.829 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.949 17.286 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.849 17.254 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.200 15.816 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.871 15.065 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.326 14.658 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.426 16.569 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.823 17.220 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.459 16.115 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.112 15.290 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.759 14.659 -10.261 1.00 0.00 H new ATOM 1354 N ARG A 98 14.027 17.922 -7.364 1.00 0.00 N ATOM 1355 CA ARG A 98 12.993 18.686 -8.048 1.00 0.00 C ATOM 1356 C ARG A 98 11.936 19.174 -7.061 1.00 0.00 C ATOM 1357 O ARG A 98 11.232 20.151 -7.322 1.00 0.00 O ATOM 1358 CB ARG A 98 12.340 17.840 -9.139 1.00 0.00 C ATOM 1359 CG ARG A 98 11.858 16.487 -8.646 1.00 0.00 C ATOM 1360 CD ARG A 98 12.686 15.349 -9.222 1.00 0.00 C ATOM 1361 NE ARG A 98 11.883 14.454 -10.052 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.579 14.694 -11.326 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.005 15.801 -11.921 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.846 13.824 -12.007 1.00 0.00 N ATOM 0 H ARG A 98 13.815 16.930 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 98 13.463 19.555 -8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.495 18.388 -9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.054 17.690 -9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.908 16.458 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.812 16.351 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.503 15.759 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.138 14.781 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 98 11.534 13.593 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.569 16.474 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.769 15.979 -12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.515 12.972 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.613 14.007 -12.983 1.00 0.00 H new ATOM 1378 N GLY A 99 11.830 18.487 -5.925 1.00 0.00 N ATOM 1379 CA GLY A 99 10.857 18.867 -4.917 1.00 0.00 C ATOM 1380 C GLY A 99 9.790 17.809 -4.700 1.00 0.00 C ATOM 1381 O GLY A 99 8.893 17.990 -3.879 1.00 0.00 O ATOM 0 H GLY A 99 12.400 17.676 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.372 19.056 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.380 19.802 -5.213 1.00 0.00 H new ATOM 1385 N MET A 100 9.883 16.704 -5.437 1.00 0.00 N ATOM 1386 CA MET A 100 8.915 15.623 -5.318 1.00 0.00 C ATOM 1387 C MET A 100 9.442 14.340 -5.948 1.00 0.00 C ATOM 1388 O MET A 100 10.118 14.370 -6.976 1.00 0.00 O ATOM 1389 CB MET A 100 7.603 16.025 -5.980 1.00 0.00 C ATOM 1390 CG MET A 100 7.720 16.207 -7.483 1.00 0.00 C ATOM 1391 SD MET A 100 6.646 15.100 -8.412 1.00 0.00 S ATOM 1392 CE MET A 100 7.661 13.626 -8.478 1.00 0.00 C ATOM 0 H MET A 100 10.620 16.537 -6.122 1.00 0.00 H new ATOM 0 HA MET A 100 8.744 15.436 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.850 15.265 -5.770 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.249 16.955 -5.535 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.477 17.239 -7.738 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.754 16.039 -7.784 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.217 12.909 -9.168 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.662 13.888 -8.822 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.723 13.182 -7.484 1.00 0.00 H new ATOM 1402 N ILE A 101 9.131 13.214 -5.317 1.00 0.00 N ATOM 1403 CA ILE A 101 9.571 11.916 -5.802 1.00 0.00 C ATOM 1404 C ILE A 101 8.394 11.081 -6.299 1.00 0.00 C ATOM 1405 O ILE A 101 7.315 11.096 -5.707 1.00 0.00 O ATOM 1406 CB ILE A 101 10.331 11.136 -4.697 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.666 9.785 -4.408 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.432 11.960 -3.420 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.340 9.003 -3.307 1.00 0.00 C ATOM 0 H ILE A 101 8.573 13.176 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 101 10.248 12.098 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 101 11.338 10.945 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.624 9.953 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.666 9.187 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.969 11.391 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.968 12.886 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.431 12.194 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.816 8.059 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.375 8.803 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.317 9.581 -2.383 1.00 0.00 H new ATOM 1421 N GLN A 102 8.618 10.329 -7.372 1.00 0.00 N ATOM 1422 CA GLN A 102 7.581 9.464 -7.920 1.00 0.00 C ATOM 1423 C GLN A 102 7.454 8.223 -7.044 1.00 0.00 C ATOM 1424 O GLN A 102 8.437 7.775 -6.454 1.00 0.00 O ATOM 1425 CB GLN A 102 7.916 9.067 -9.360 1.00 0.00 C ATOM 1426 CG GLN A 102 6.812 8.275 -10.043 1.00 0.00 C ATOM 1427 CD GLN A 102 7.322 7.015 -10.715 1.00 0.00 C ATOM 1428 OE1 GLN A 102 8.161 6.263 -10.012 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 6.968 6.721 -11.856 1.00 0.00 N flip ATOM 0 H GLN A 102 9.504 10.301 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 102 6.633 10.001 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.118 9.968 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.831 8.475 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.054 8.007 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.325 8.906 -10.786 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.321 7.327 -12.361 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.321 5.871 -12.297 1.00 0.00 H new ATOM 1438 N LEU A 103 6.248 7.678 -6.936 1.00 0.00 N ATOM 1439 CA LEU A 103 6.038 6.507 -6.096 1.00 0.00 C ATOM 1440 C LEU A 103 5.025 5.538 -6.694 1.00 0.00 C ATOM 1441 O LEU A 103 3.828 5.813 -6.719 1.00 0.00 O ATOM 1442 CB LEU A 103 5.559 6.947 -4.714 1.00 0.00 C ATOM 1443 CG LEU A 103 6.649 7.036 -3.647 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.443 8.267 -2.781 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.662 5.776 -2.799 1.00 0.00 C ATOM 0 H LEU A 103 5.414 8.022 -7.411 1.00 0.00 H new ATOM 0 HA LEU A 103 6.992 5.985 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.082 7.923 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.794 6.249 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 103 7.616 7.125 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.228 8.316 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.482 9.161 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.471 8.209 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.444 5.854 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.695 5.657 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.857 4.912 -3.434 1.00 0.00 H new ATOM 1457 N ILE A 104 5.509 4.384 -7.130 1.00 0.00 N ATOM 1458 CA ILE A 104 4.637 3.358 -7.680 1.00 0.00 C ATOM 1459 C ILE A 104 4.402 2.285 -6.625 1.00 0.00 C ATOM 1460 O ILE A 104 5.327 1.573 -6.238 1.00 0.00 O ATOM 1461 CB ILE A 104 5.236 2.716 -8.946 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.548 3.792 -9.987 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.282 1.679 -9.521 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.446 3.309 -11.105 1.00 0.00 C ATOM 0 H ILE A 104 6.498 4.136 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 104 3.695 3.828 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 104 6.165 2.214 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.613 4.155 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.022 4.639 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.722 1.236 -10.415 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.102 0.900 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.338 2.158 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.625 4.124 -11.806 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.396 2.973 -10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.965 2.481 -11.626 1.00 0.00 H new ATOM 1476 N VAL A 105 3.169 2.192 -6.145 1.00 0.00 N ATOM 1477 CA VAL A 105 2.834 1.221 -5.113 1.00 0.00 C ATOM 1478 C VAL A 105 1.699 0.300 -5.540 1.00 0.00 C ATOM 1479 O VAL A 105 0.899 0.639 -6.413 1.00 0.00 O ATOM 1480 CB VAL A 105 2.438 1.922 -3.798 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.599 2.743 -3.258 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.208 2.796 -4.004 1.00 0.00 C ATOM 0 H VAL A 105 2.389 2.773 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 105 3.730 0.621 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 105 2.191 1.156 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.300 3.230 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.449 2.089 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.881 3.500 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.945 3.282 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.423 3.555 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.375 2.178 -4.339 1.00 0.00 H new ATOM 1492 N ALA A 106 1.636 -0.864 -4.905 1.00 0.00 N ATOM 1493 CA ALA A 106 0.600 -1.844 -5.192 1.00 0.00 C ATOM 1494 C ALA A 106 -0.069 -2.301 -3.903 1.00 0.00 C ATOM 1495 O ALA A 106 0.596 -2.787 -2.987 1.00 0.00 O ATOM 1496 CB ALA A 106 1.186 -3.030 -5.941 1.00 0.00 C ATOM 0 H ALA A 106 2.296 -1.152 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.155 -1.377 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.398 -3.754 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.621 -2.688 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.959 -3.499 -5.332 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.383 -2.134 -3.830 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.133 -2.524 -2.640 1.00 0.00 C ATOM 1504 C ARG A 107 -3.393 -3.296 -3.011 1.00 0.00 C ATOM 1505 O ARG A 107 -3.666 -3.535 -4.188 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.497 -1.297 -1.798 1.00 0.00 C ATOM 1507 CG ARG A 107 -2.776 -0.043 -2.613 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.245 0.066 -2.989 1.00 0.00 C ATOM 1509 NE ARG A 107 -4.937 1.084 -2.202 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.089 1.644 -2.563 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.685 1.285 -3.693 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.648 2.564 -1.789 1.00 0.00 N ATOM 0 H ARG A 107 -1.951 -1.733 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.492 -3.177 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.376 -1.530 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.682 -1.092 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.480 0.836 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.168 -0.054 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.331 0.306 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.730 -0.899 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.512 1.383 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.260 0.576 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.568 1.718 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.195 2.842 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.531 2.994 -2.064 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.155 -3.686 -1.995 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.386 -4.439 -2.203 1.00 0.00 C ATOM 1528 C ARG A 108 -6.585 -3.504 -2.335 1.00 0.00 C ATOM 1529 O ARG A 108 -6.679 -2.497 -1.633 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.612 -5.417 -1.048 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.055 -6.806 -1.309 1.00 0.00 C ATOM 1532 CD ARG A 108 -3.560 -6.767 -1.575 1.00 0.00 C ATOM 1533 NE ARG A 108 -2.783 -6.779 -0.336 1.00 0.00 N ATOM 1534 CZ ARG A 108 -1.515 -6.382 -0.249 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -0.876 -5.939 -1.325 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -0.885 -6.429 0.916 1.00 0.00 N ATOM 0 H ARG A 108 -3.941 -3.492 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.284 -5.000 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.152 -5.014 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.682 -5.494 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.256 -7.447 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.566 -7.249 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.278 -7.623 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.317 -5.872 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.240 -7.112 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.356 -5.901 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.095 -5.636 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.371 -6.769 1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.086 -6.125 0.983 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.498 -3.848 -3.237 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.693 -3.044 -3.460 1.00 0.00 C ATOM 1552 C ILE A 109 -9.681 -3.206 -2.310 1.00 0.00 C ATOM 1553 O ILE A 109 -10.285 -4.265 -2.141 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.389 -3.432 -4.780 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.384 -3.424 -5.932 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.543 -2.486 -5.070 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -8.800 -4.292 -7.100 1.00 0.00 C ATOM 0 H ILE A 109 -7.433 -4.679 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.373 -2.004 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.790 -4.440 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.250 -2.400 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.417 -3.764 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.023 -2.774 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.269 -2.538 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.166 -1.467 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.041 -4.239 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.906 -5.324 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.752 -3.938 -7.495 1.00 0.00 H new ATOM 1569 N SER A 110 -9.842 -2.147 -1.522 1.00 0.00 N ATOM 1570 CA SER A 110 -10.758 -2.175 -0.386 1.00 0.00 C ATOM 1571 C SER A 110 -11.715 -0.988 -0.428 1.00 0.00 C ATOM 1572 O SER A 110 -12.164 -0.503 0.611 1.00 0.00 O ATOM 1573 CB SER A 110 -9.975 -2.169 0.928 1.00 0.00 C ATOM 1574 OG SER A 110 -10.813 -2.496 2.023 1.00 0.00 O ATOM 0 H SER A 110 -9.352 -1.261 -1.648 1.00 0.00 H new ATOM 0 HA SER A 110 -11.344 -3.092 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.154 -2.883 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.532 -1.186 1.086 1.00 0.00 H new ATOM 0 HG SER A 110 -11.623 -1.945 1.991 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.058 -13.168 6.031 1.00 0.00 N ATOM 1582 CA ASP B 3 3.235 -13.929 5.632 1.00 0.00 C ATOM 1583 C ASP B 3 4.515 -13.171 5.971 1.00 0.00 C ATOM 1584 O ASP B 3 5.272 -12.776 5.084 1.00 0.00 O ATOM 1585 CB ASP B 3 3.188 -14.232 4.132 1.00 0.00 C ATOM 1586 CG ASP B 3 1.929 -14.974 3.730 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.925 -16.220 3.807 1.00 0.00 O ATOM 1588 OD2 ASP B 3 0.947 -14.309 3.339 1.00 0.00 O ATOM 0 HA ASP B 3 3.234 -14.868 6.185 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.250 -13.298 3.574 1.00 0.00 H new ATOM 0 HB3 ASP B 3 4.060 -14.826 3.857 1.00 0.00 H new ATOM 1593 N GLU B 4 4.750 -12.969 7.263 1.00 0.00 N ATOM 1594 CA GLU B 4 5.938 -12.258 7.723 1.00 0.00 C ATOM 1595 C GLU B 4 6.959 -13.226 8.312 1.00 0.00 C ATOM 1596 O GLU B 4 6.644 -14.383 8.590 1.00 0.00 O ATOM 1597 CB GLU B 4 5.557 -11.205 8.766 1.00 0.00 C ATOM 1598 CG GLU B 4 4.417 -10.300 8.330 1.00 0.00 C ATOM 1599 CD GLU B 4 4.154 -9.177 9.313 1.00 0.00 C ATOM 1600 OE1 GLU B 4 4.963 -8.226 9.360 1.00 0.00 O ATOM 1601 OE2 GLU B 4 3.140 -9.246 10.038 1.00 0.00 O ATOM 0 H GLU B 4 4.134 -13.288 8.011 1.00 0.00 H new ATOM 0 HA GLU B 4 6.388 -11.762 6.863 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.277 -11.708 9.692 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.431 -10.593 8.988 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.649 -9.876 7.353 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.511 -10.894 8.213 1.00 0.00 H new ATOM 1608 N ASP B 5 8.184 -12.744 8.501 1.00 0.00 N ATOM 1609 CA ASP B 5 9.251 -13.565 9.059 1.00 0.00 C ATOM 1610 C ASP B 5 9.455 -13.254 10.538 1.00 0.00 C ATOM 1611 O ASP B 5 10.582 -13.264 11.034 1.00 0.00 O ATOM 1612 CB ASP B 5 10.555 -13.331 8.293 1.00 0.00 C ATOM 1613 CG ASP B 5 11.250 -14.626 7.922 1.00 0.00 C ATOM 1614 OD1 ASP B 5 10.569 -15.540 7.410 1.00 0.00 O ATOM 1615 OD2 ASP B 5 12.476 -14.727 8.144 1.00 0.00 O ATOM 0 H ASP B 5 8.461 -11.789 8.276 1.00 0.00 H new ATOM 0 HA ASP B 5 8.962 -14.612 8.961 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.344 -12.763 7.387 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.226 -12.723 8.901 1.00 0.00 H new ATOM 1620 N GLN B 6 8.355 -12.978 11.235 1.00 0.00 N ATOM 1621 CA GLN B 6 8.399 -12.659 12.659 1.00 0.00 C ATOM 1622 C GLN B 6 9.098 -11.323 12.898 1.00 0.00 C ATOM 1623 O GLN B 6 8.472 -10.353 13.325 1.00 0.00 O ATOM 1624 CB GLN B 6 9.108 -13.770 13.441 1.00 0.00 C ATOM 1625 CG GLN B 6 8.389 -15.109 13.384 1.00 0.00 C ATOM 1626 CD GLN B 6 8.389 -15.712 11.993 1.00 0.00 C ATOM 1627 OE1 GLN B 6 9.576 -15.947 11.448 1.00 0.00 O flip ATOM 1628 NE2 GLN B 6 7.331 -15.965 11.414 1.00 0.00 N flip ATOM 0 H GLN B 6 7.417 -12.969 10.833 1.00 0.00 H new ATOM 0 HA GLN B 6 7.372 -12.580 13.015 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.117 -13.892 13.048 1.00 0.00 H new ATOM 0 HB3 GLN B 6 9.206 -13.464 14.483 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.865 -15.803 14.077 1.00 0.00 H new ATOM 0 HG3 GLN B 6 7.360 -14.979 13.720 1.00 0.00 H new ATOM 0 HE21 GLN B 6 6.440 -15.768 11.870 1.00 0.00 H new ATOM 0 HE22 GLN B 6 7.346 -16.371 10.479 1.00 0.00 H new ATOM 1637 N HIS B 7 10.396 -11.280 12.619 1.00 0.00 N ATOM 1638 CA HIS B 7 11.177 -10.062 12.801 1.00 0.00 C ATOM 1639 C HIS B 7 11.129 -9.192 11.551 1.00 0.00 C ATOM 1640 O HIS B 7 11.220 -9.692 10.429 1.00 0.00 O ATOM 1641 CB HIS B 7 12.628 -10.408 13.141 1.00 0.00 C ATOM 1642 CG HIS B 7 12.784 -11.108 14.456 1.00 0.00 C ATOM 1643 ND1 HIS B 7 13.622 -10.656 15.456 1.00 0.00 N ATOM 1644 CD2 HIS B 7 12.201 -12.232 14.936 1.00 0.00 C ATOM 1645 CE1 HIS B 7 13.549 -11.474 16.491 1.00 0.00 C ATOM 1646 NE2 HIS B 7 12.694 -12.437 16.202 1.00 0.00 N ATOM 0 H HIS B 7 10.930 -12.074 12.266 1.00 0.00 H new ATOM 0 HA HIS B 7 10.741 -9.501 13.628 1.00 0.00 H new ATOM 0 HB2 HIS B 7 13.037 -11.039 12.352 1.00 0.00 H new ATOM 0 HB3 HIS B 7 13.218 -9.492 13.154 1.00 0.00 H new ATOM 0 HD2 HIS B 7 11.483 -12.852 14.420 1.00 0.00 H new ATOM 0 HE1 HIS B 7 14.096 -11.372 17.417 1.00 0.00 H new ATOM 0 HE2 HIS B 7 12.440 -13.209 16.819 1.00 0.00 H new ATOM 1655 N SER B 8 10.986 -7.885 11.749 1.00 0.00 N ATOM 1656 CA SER B 8 10.926 -6.943 10.637 1.00 0.00 C ATOM 1657 C SER B 8 11.769 -5.703 10.930 1.00 0.00 C ATOM 1658 O SER B 8 12.647 -5.729 11.792 1.00 0.00 O ATOM 1659 CB SER B 8 9.474 -6.545 10.360 1.00 0.00 C ATOM 1660 OG SER B 8 9.210 -6.519 8.967 1.00 0.00 O ATOM 0 H SER B 8 10.909 -7.454 12.670 1.00 0.00 H new ATOM 0 HA SER B 8 11.333 -7.431 9.751 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.801 -7.250 10.848 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.274 -5.563 10.790 1.00 0.00 H new ATOM 0 HG SER B 8 8.424 -7.071 8.773 1.00 0.00 H new ATOM 1666 N GLN B 9 11.499 -4.619 10.208 1.00 0.00 N ATOM 1667 CA GLN B 9 12.233 -3.375 10.389 1.00 0.00 C ATOM 1668 C GLN B 9 11.464 -2.226 9.753 1.00 0.00 C ATOM 1669 O GLN B 9 11.095 -2.289 8.580 1.00 0.00 O ATOM 1670 CB GLN B 9 13.634 -3.496 9.774 1.00 0.00 C ATOM 1671 CG GLN B 9 14.458 -2.216 9.840 1.00 0.00 C ATOM 1672 CD GLN B 9 13.934 -1.119 8.930 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.988 0.062 9.273 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.422 -1.500 7.764 1.00 0.00 N ATOM 0 H GLN B 9 10.775 -4.579 9.491 1.00 0.00 H new ATOM 0 HA GLN B 9 12.342 -3.173 11.455 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.176 -4.291 10.287 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.536 -3.798 8.731 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.470 -1.852 10.867 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.490 -2.441 9.570 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.396 -2.489 7.517 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.055 -0.803 7.116 1.00 0.00 H new ATOM 1683 N ILE B 10 11.214 -1.180 10.531 1.00 0.00 N ATOM 1684 CA ILE B 10 10.476 -0.026 10.032 1.00 0.00 C ATOM 1685 C ILE B 10 11.404 1.147 9.765 1.00 0.00 C ATOM 1686 O ILE B 10 11.798 1.869 10.681 1.00 0.00 O ATOM 1687 CB ILE B 10 9.373 0.423 11.009 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.848 -0.770 11.809 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.245 1.099 10.247 1.00 0.00 C ATOM 1690 CD1 ILE B 10 8.015 -1.734 10.992 1.00 0.00 C ATOM 0 H ILE B 10 11.509 -1.107 11.505 1.00 0.00 H new ATOM 0 HA ILE B 10 10.009 -0.343 9.099 1.00 0.00 H new ATOM 0 HB ILE B 10 9.796 1.141 11.711 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.693 -1.308 12.238 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.249 -0.402 12.642 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.470 1.413 10.947 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.633 1.971 9.720 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.822 0.399 9.527 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.679 -2.553 11.628 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.149 -1.212 10.584 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.616 -2.132 10.175 1.00 0.00 H new ATOM 1702 N THR B 11 11.737 1.334 8.498 1.00 0.00 N ATOM 1703 CA THR B 11 12.611 2.426 8.087 1.00 0.00 C ATOM 1704 C THR B 11 11.839 3.742 8.059 1.00 0.00 C ATOM 1705 O THR B 11 11.074 4.004 7.131 1.00 0.00 O ATOM 1706 CB THR B 11 13.210 2.134 6.710 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.998 0.957 6.747 1.00 0.00 O ATOM 1708 CG2 THR B 11 14.084 3.252 6.183 1.00 0.00 C ATOM 0 H THR B 11 11.415 0.742 7.732 1.00 0.00 H new ATOM 0 HA THR B 11 13.422 2.514 8.810 1.00 0.00 H new ATOM 0 HB THR B 11 12.355 2.020 6.044 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.161 0.644 5.833 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.475 2.977 5.203 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.494 4.164 6.095 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.913 3.421 6.870 1.00 0.00 H new ATOM 1716 N LYS B 12 12.040 4.562 9.085 1.00 0.00 N ATOM 1717 CA LYS B 12 11.356 5.845 9.181 1.00 0.00 C ATOM 1718 C LYS B 12 11.850 6.817 8.115 1.00 0.00 C ATOM 1719 O LYS B 12 13.040 7.124 8.042 1.00 0.00 O ATOM 1720 CB LYS B 12 11.559 6.451 10.572 1.00 0.00 C ATOM 1721 CG LYS B 12 10.524 7.505 10.934 1.00 0.00 C ATOM 1722 CD LYS B 12 9.115 6.932 10.922 1.00 0.00 C ATOM 1723 CE LYS B 12 8.430 7.107 12.269 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.131 8.536 12.560 1.00 0.00 N ATOM 0 H LYS B 12 12.671 4.361 9.861 1.00 0.00 H new ATOM 0 HA LYS B 12 10.293 5.670 9.016 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.528 5.654 11.315 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.552 6.897 10.624 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.745 7.909 11.922 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.586 8.334 10.229 1.00 0.00 H new ATOM 0 HD2 LYS B 12 8.527 7.425 10.147 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.154 5.873 10.667 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.504 6.533 12.282 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.067 6.702 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 7.665 8.611 13.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.017 9.080 12.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.502 8.916 11.824 1.00 0.00 H new ATOM 1738 N VAL B 13 10.924 7.300 7.295 1.00 0.00 N ATOM 1739 CA VAL B 13 11.255 8.242 6.234 1.00 0.00 C ATOM 1740 C VAL B 13 10.167 9.305 6.095 1.00 0.00 C ATOM 1741 O VAL B 13 9.644 9.482 4.973 1.00 0.00 O ATOM 1742 CB VAL B 13 11.450 7.527 4.882 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.699 6.661 4.908 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.222 6.696 4.534 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.841 9.949 7.113 1.00 0.00 O ATOM 0 H VAL B 13 9.935 7.054 7.345 1.00 0.00 H new ATOM 0 HA VAL B 13 12.194 8.721 6.511 1.00 0.00 H new ATOM 0 HB VAL B 13 11.579 8.284 4.109 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.818 6.165 3.945 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.571 7.285 5.105 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.605 5.911 5.693 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.378 6.199 3.577 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.058 5.947 5.309 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.350 7.346 4.467 1.00 0.00 H new TER 1755 VAL B 13