USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc=-0.000398 X(o=-0.0004,f=-0.41) USER MOD Single : A 15 HIS : no HD1:sc= 0.261 K(o=0.26,f=-3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 1.35 (180deg=-0.0433) USER MOD Single : A 21 ASN : amide:sc= -0.0706 K(o=-0.071,f=-9.5!) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.967) USER MOD Single : A 27 SER OG : rot 180:sc= -0.3 USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.17) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.164 F(o=-2!,f=-0.16) USER MOD Single : A 49 THR OG1 : rot 170:sc= 0.00557 USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 0.016 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.38) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.455 -5.658 -10.005 1.00 62.23 N ATOM 35 CA VAL A 3 -8.184 -5.458 -8.578 1.00 14.04 C ATOM 36 C VAL A 3 -7.269 -6.540 -7.992 1.00 63.01 C ATOM 37 O VAL A 3 -6.463 -6.253 -7.108 1.00 23.53 O ATOM 38 CB VAL A 3 -9.489 -5.355 -7.756 1.00 31.25 C ATOM 39 CG1 VAL A 3 -10.225 -6.686 -7.713 1.00 30.43 C ATOM 40 CG2 VAL A 3 -9.206 -4.836 -6.348 1.00 44.23 C ATOM 0 HA VAL A 3 -7.654 -4.508 -8.505 1.00 14.04 H new ATOM 0 HB VAL A 3 -10.140 -4.637 -8.255 1.00 31.25 H new ATOM 0 HG11 VAL A 3 -11.138 -6.578 -7.127 1.00 30.43 H new ATOM 0 HG12 VAL A 3 -10.479 -6.994 -8.727 1.00 30.43 H new ATOM 0 HG13 VAL A 3 -9.586 -7.440 -7.254 1.00 30.43 H new ATOM 0 HG21 VAL A 3 -10.140 -4.772 -5.789 1.00 44.23 H new ATOM 0 HG22 VAL A 3 -8.524 -5.518 -5.839 1.00 44.23 H new ATOM 0 HG23 VAL A 3 -8.752 -3.847 -6.409 1.00 44.23 H new ATOM 50 N ASP A 4 -7.376 -7.772 -8.494 1.00 21.34 N ATOM 51 CA ASP A 4 -6.473 -8.849 -8.071 1.00 21.41 C ATOM 52 C ASP A 4 -5.032 -8.435 -8.314 1.00 64.21 C ATOM 53 O ASP A 4 -4.176 -8.544 -7.436 1.00 31.25 O ATOM 54 CB ASP A 4 -6.747 -10.147 -8.836 1.00 73.34 C ATOM 55 CG ASP A 4 -8.075 -10.780 -8.490 1.00 63.32 C ATOM 56 OD1 ASP A 4 -8.148 -11.508 -7.478 1.00 72.35 O ATOM 57 OD2 ASP A 4 -9.043 -10.579 -9.247 1.00 73.42 O ATOM 0 H ASP A 4 -8.071 -8.049 -9.187 1.00 21.34 H new ATOM 0 HA ASP A 4 -6.646 -9.027 -7.010 1.00 21.41 H new ATOM 0 HB2 ASP A 4 -6.719 -9.942 -9.906 1.00 73.34 H new ATOM 0 HB3 ASP A 4 -5.948 -10.859 -8.627 1.00 73.34 H new ATOM 62 N HIS A 5 -4.783 -7.937 -9.516 1.00 54.30 N ATOM 63 CA HIS A 5 -3.458 -7.492 -9.909 1.00 0.42 C ATOM 64 C HIS A 5 -3.062 -6.231 -9.146 1.00 63.10 C ATOM 65 O HIS A 5 -1.902 -6.069 -8.778 1.00 5.32 O ATOM 66 CB HIS A 5 -3.407 -7.237 -11.419 1.00 50.22 C ATOM 67 CG HIS A 5 -2.079 -6.738 -11.903 1.00 75.52 C ATOM 68 ND1 HIS A 5 -0.967 -7.542 -12.006 1.00 72.42 N ATOM 69 CD2 HIS A 5 -1.688 -5.505 -12.305 1.00 42.23 C ATOM 70 CE1 HIS A 5 0.048 -6.831 -12.452 1.00 32.42 C ATOM 71 NE2 HIS A 5 -0.361 -5.591 -12.642 1.00 2.40 N ATOM 0 H HIS A 5 -5.491 -7.831 -10.242 1.00 54.30 H new ATOM 0 HA HIS A 5 -2.746 -8.280 -9.662 1.00 0.42 H new ATOM 0 HB2 HIS A 5 -3.650 -8.161 -11.943 1.00 50.22 H new ATOM 0 HB3 HIS A 5 -4.176 -6.510 -11.682 1.00 50.22 H new ATOM 0 HD2 HIS A 5 -2.305 -4.620 -12.351 1.00 42.23 H new ATOM 0 HE1 HIS A 5 1.047 -7.201 -12.632 1.00 32.42 H new ATOM 0 HE2 HIS A 5 0.215 -4.822 -12.984 1.00 2.40 H new ATOM 80 N GLU A 6 -4.028 -5.346 -8.912 1.00 11.01 N ATOM 81 CA GLU A 6 -3.768 -4.099 -8.194 1.00 62.13 C ATOM 82 C GLU A 6 -3.203 -4.395 -6.807 1.00 32.44 C ATOM 83 O GLU A 6 -2.270 -3.735 -6.353 1.00 62.23 O ATOM 84 CB GLU A 6 -5.044 -3.265 -8.047 1.00 4.31 C ATOM 85 CG GLU A 6 -5.870 -3.146 -9.318 1.00 12.14 C ATOM 86 CD GLU A 6 -5.114 -2.538 -10.483 1.00 51.20 C ATOM 87 OE1 GLU A 6 -4.432 -3.283 -11.217 1.00 45.31 O ATOM 88 OE2 GLU A 6 -5.242 -1.320 -10.703 1.00 23.34 O ATOM 0 H GLU A 6 -4.996 -5.468 -9.208 1.00 11.01 H new ATOM 0 HA GLU A 6 -3.042 -3.530 -8.775 1.00 62.13 H new ATOM 0 HB2 GLU A 6 -5.663 -3.707 -7.266 1.00 4.31 H new ATOM 0 HB3 GLU A 6 -4.772 -2.265 -7.711 1.00 4.31 H new ATOM 0 HG2 GLU A 6 -6.225 -4.136 -9.604 1.00 12.14 H new ATOM 0 HG3 GLU A 6 -6.751 -2.539 -9.112 1.00 12.14 H new ATOM 95 N VAL A 7 -3.774 -5.398 -6.143 1.00 33.44 N ATOM 96 CA VAL A 7 -3.312 -5.804 -4.820 1.00 71.45 C ATOM 97 C VAL A 7 -1.872 -6.301 -4.886 1.00 73.33 C ATOM 98 O VAL A 7 -1.030 -5.901 -4.082 1.00 4.34 O ATOM 99 CB VAL A 7 -4.204 -6.911 -4.212 1.00 53.30 C ATOM 100 CG1 VAL A 7 -3.703 -7.314 -2.832 1.00 54.40 C ATOM 101 CG2 VAL A 7 -5.652 -6.454 -4.133 1.00 10.43 C ATOM 0 H VAL A 7 -4.558 -5.944 -6.501 1.00 33.44 H new ATOM 0 HA VAL A 7 -3.371 -4.925 -4.179 1.00 71.45 H new ATOM 0 HB VAL A 7 -4.150 -7.781 -4.866 1.00 53.30 H new ATOM 0 HG11 VAL A 7 -4.346 -8.094 -2.425 1.00 54.40 H new ATOM 0 HG12 VAL A 7 -2.683 -7.690 -2.911 1.00 54.40 H new ATOM 0 HG13 VAL A 7 -3.721 -6.447 -2.171 1.00 54.40 H new ATOM 0 HG21 VAL A 7 -6.261 -7.249 -3.702 1.00 10.43 H new ATOM 0 HG22 VAL A 7 -5.719 -5.565 -3.506 1.00 10.43 H new ATOM 0 HG23 VAL A 7 -6.015 -6.221 -5.134 1.00 10.43 H new ATOM 111 N ASN A 8 -1.599 -7.166 -5.857 1.00 53.22 N ATOM 112 CA ASN A 8 -0.251 -7.690 -6.062 1.00 32.33 C ATOM 113 C ASN A 8 0.713 -6.549 -6.352 1.00 34.14 C ATOM 114 O ASN A 8 1.828 -6.518 -5.832 1.00 41.34 O ATOM 115 CB ASN A 8 -0.220 -8.685 -7.229 1.00 45.21 C ATOM 116 CG ASN A 8 -1.178 -9.849 -7.052 1.00 63.11 C ATOM 117 OD1 ASN A 8 -1.504 -10.243 -5.934 1.00 22.31 O ATOM 118 ND2 ASN A 8 -1.625 -10.418 -8.161 1.00 64.41 N ATOM 0 H ASN A 8 -2.293 -7.520 -6.515 1.00 53.22 H new ATOM 0 HA ASN A 8 0.051 -8.207 -5.151 1.00 32.33 H new ATOM 0 HB2 ASN A 8 -0.465 -8.159 -8.152 1.00 45.21 H new ATOM 0 HB3 ASN A 8 0.793 -9.071 -7.341 1.00 45.21 H new ATOM 0 HD21 ASN A 8 -2.263 -11.212 -8.105 1.00 64.41 H new ATOM 0 HD22 ASN A 8 -1.332 -10.062 -9.071 1.00 64.41 H new ATOM 125 N LEU A 9 0.260 -5.610 -7.172 1.00 24.22 N ATOM 126 CA LEU A 9 1.043 -4.440 -7.531 1.00 54.54 C ATOM 127 C LEU A 9 1.347 -3.603 -6.295 1.00 43.21 C ATOM 128 O LEU A 9 2.477 -3.166 -6.094 1.00 50.21 O ATOM 129 CB LEU A 9 0.278 -3.609 -8.560 1.00 20.51 C ATOM 130 CG LEU A 9 0.969 -2.326 -9.007 1.00 14.22 C ATOM 131 CD1 LEU A 9 2.250 -2.640 -9.759 1.00 73.32 C ATOM 132 CD2 LEU A 9 0.029 -1.494 -9.862 1.00 74.14 C ATOM 0 H LEU A 9 -0.662 -5.640 -7.606 1.00 24.22 H new ATOM 0 HA LEU A 9 1.989 -4.764 -7.965 1.00 54.54 H new ATOM 0 HB2 LEU A 9 0.095 -4.228 -9.438 1.00 20.51 H new ATOM 0 HB3 LEU A 9 -0.695 -3.351 -8.143 1.00 20.51 H new ATOM 0 HG LEU A 9 1.233 -1.747 -8.122 1.00 14.22 H new ATOM 0 HD11 LEU A 9 2.727 -1.710 -10.069 1.00 73.32 H new ATOM 0 HD12 LEU A 9 2.926 -3.196 -9.110 1.00 73.32 H new ATOM 0 HD13 LEU A 9 2.018 -3.239 -10.639 1.00 73.32 H new ATOM 0 HD21 LEU A 9 0.534 -0.580 -10.175 1.00 74.14 H new ATOM 0 HD22 LEU A 9 -0.265 -2.066 -10.742 1.00 74.14 H new ATOM 0 HD23 LEU A 9 -0.858 -1.238 -9.283 1.00 74.14 H new ATOM 144 N LEU A 10 0.328 -3.394 -5.472 1.00 71.30 N ATOM 145 CA LEU A 10 0.482 -2.677 -4.211 1.00 54.51 C ATOM 146 C LEU A 10 1.540 -3.354 -3.349 1.00 51.24 C ATOM 147 O LEU A 10 2.436 -2.702 -2.812 1.00 14.41 O ATOM 148 CB LEU A 10 -0.853 -2.648 -3.464 1.00 13.11 C ATOM 149 CG LEU A 10 -0.837 -1.943 -2.106 1.00 1.54 C ATOM 150 CD1 LEU A 10 -0.580 -0.454 -2.280 1.00 10.32 C ATOM 151 CD2 LEU A 10 -2.146 -2.184 -1.367 1.00 54.20 C ATOM 0 H LEU A 10 -0.623 -3.714 -5.657 1.00 71.30 H new ATOM 0 HA LEU A 10 0.798 -1.655 -4.422 1.00 54.51 H new ATOM 0 HB2 LEU A 10 -1.593 -2.159 -4.098 1.00 13.11 H new ATOM 0 HB3 LEU A 10 -1.188 -3.675 -3.316 1.00 13.11 H new ATOM 0 HG LEU A 10 -0.026 -2.359 -1.509 1.00 1.54 H new ATOM 0 HD11 LEU A 10 -0.572 0.030 -1.304 1.00 10.32 H new ATOM 0 HD12 LEU A 10 0.384 -0.306 -2.766 1.00 10.32 H new ATOM 0 HD13 LEU A 10 -1.367 -0.018 -2.895 1.00 10.32 H new ATOM 0 HD21 LEU A 10 -2.118 -1.676 -0.403 1.00 54.20 H new ATOM 0 HD22 LEU A 10 -2.975 -1.795 -1.959 1.00 54.20 H new ATOM 0 HD23 LEU A 10 -2.283 -3.254 -1.209 1.00 54.20 H new ATOM 163 N VAL A 11 1.426 -4.669 -3.234 1.00 52.11 N ATOM 164 CA VAL A 11 2.379 -5.468 -2.480 1.00 42.11 C ATOM 165 C VAL A 11 3.788 -5.317 -3.048 1.00 42.12 C ATOM 166 O VAL A 11 4.758 -5.183 -2.297 1.00 75.32 O ATOM 167 CB VAL A 11 1.966 -6.954 -2.486 1.00 14.22 C ATOM 168 CG1 VAL A 11 3.050 -7.829 -1.886 1.00 53.32 C ATOM 169 CG2 VAL A 11 0.654 -7.145 -1.740 1.00 24.35 C ATOM 0 H VAL A 11 0.673 -5.210 -3.659 1.00 52.11 H new ATOM 0 HA VAL A 11 2.379 -5.106 -1.452 1.00 42.11 H new ATOM 0 HB VAL A 11 1.826 -7.258 -3.523 1.00 14.22 H new ATOM 0 HG11 VAL A 11 2.729 -8.870 -1.905 1.00 53.32 H new ATOM 0 HG12 VAL A 11 3.967 -7.722 -2.466 1.00 53.32 H new ATOM 0 HG13 VAL A 11 3.235 -7.525 -0.856 1.00 53.32 H new ATOM 0 HG21 VAL A 11 0.378 -8.199 -1.754 1.00 24.35 H new ATOM 0 HG22 VAL A 11 0.771 -6.814 -0.708 1.00 24.35 H new ATOM 0 HG23 VAL A 11 -0.128 -6.558 -2.223 1.00 24.35 H new ATOM 179 N GLU A 12 3.889 -5.334 -4.372 1.00 31.12 N ATOM 180 CA GLU A 12 5.166 -5.143 -5.048 1.00 74.23 C ATOM 181 C GLU A 12 5.768 -3.786 -4.703 1.00 65.43 C ATOM 182 O GLU A 12 6.935 -3.697 -4.319 1.00 45.00 O ATOM 183 CB GLU A 12 5.001 -5.250 -6.563 1.00 31.02 C ATOM 184 CG GLU A 12 4.776 -6.663 -7.072 1.00 21.33 C ATOM 185 CD GLU A 12 4.797 -6.732 -8.584 1.00 54.01 C ATOM 186 OE1 GLU A 12 5.796 -6.275 -9.186 1.00 34.03 O ATOM 187 OE2 GLU A 12 3.822 -7.234 -9.179 1.00 22.31 O ATOM 0 H GLU A 12 3.099 -5.479 -5.000 1.00 31.12 H new ATOM 0 HA GLU A 12 5.838 -5.929 -4.704 1.00 74.23 H new ATOM 0 HB2 GLU A 12 4.160 -4.628 -6.869 1.00 31.02 H new ATOM 0 HB3 GLU A 12 5.890 -4.841 -7.043 1.00 31.02 H new ATOM 0 HG2 GLU A 12 5.546 -7.320 -6.669 1.00 21.33 H new ATOM 0 HG3 GLU A 12 3.818 -7.032 -6.706 1.00 21.33 H new ATOM 194 N GLU A 13 4.961 -2.734 -4.825 1.00 61.44 N ATOM 195 CA GLU A 13 5.433 -1.378 -4.573 1.00 64.44 C ATOM 196 C GLU A 13 5.909 -1.221 -3.134 1.00 24.20 C ATOM 197 O GLU A 13 6.979 -0.671 -2.888 1.00 73.01 O ATOM 198 CB GLU A 13 4.343 -0.349 -4.885 1.00 40.44 C ATOM 199 CG GLU A 13 3.905 -0.343 -6.343 1.00 3.31 C ATOM 200 CD GLU A 13 5.070 -0.294 -7.315 1.00 34.24 C ATOM 201 OE1 GLU A 13 6.133 0.260 -6.963 1.00 4.01 O ATOM 202 OE2 GLU A 13 4.940 -0.835 -8.433 1.00 61.12 O ATOM 0 H GLU A 13 3.980 -2.796 -5.096 1.00 61.44 H new ATOM 0 HA GLU A 13 6.278 -1.197 -5.237 1.00 64.44 H new ATOM 0 HB2 GLU A 13 3.476 -0.549 -4.255 1.00 40.44 H new ATOM 0 HB3 GLU A 13 4.707 0.644 -4.620 1.00 40.44 H new ATOM 0 HG2 GLU A 13 3.311 -1.235 -6.541 1.00 3.31 H new ATOM 0 HG3 GLU A 13 3.257 0.516 -6.518 1.00 3.31 H new ATOM 209 N ILE A 14 5.126 -1.724 -2.187 1.00 44.02 N ATOM 210 CA ILE A 14 5.502 -1.653 -0.779 1.00 33.41 C ATOM 211 C ILE A 14 6.773 -2.461 -0.525 1.00 34.14 C ATOM 212 O ILE A 14 7.609 -2.088 0.299 1.00 42.30 O ATOM 213 CB ILE A 14 4.367 -2.157 0.143 1.00 64.31 C ATOM 214 CG1 ILE A 14 3.103 -1.317 -0.073 1.00 60.51 C ATOM 215 CG2 ILE A 14 4.797 -2.099 1.604 1.00 22.35 C ATOM 216 CD1 ILE A 14 1.922 -1.763 0.760 1.00 33.51 C ATOM 0 H ILE A 14 4.233 -2.183 -2.366 1.00 44.02 H new ATOM 0 HA ILE A 14 5.687 -0.605 -0.544 1.00 33.41 H new ATOM 0 HB ILE A 14 4.149 -3.195 -0.109 1.00 64.31 H new ATOM 0 HG12 ILE A 14 3.326 -0.276 0.159 1.00 60.51 H new ATOM 0 HG13 ILE A 14 2.828 -1.357 -1.127 1.00 60.51 H new ATOM 0 HG21 ILE A 14 3.985 -2.458 2.237 1.00 22.35 H new ATOM 0 HG22 ILE A 14 5.675 -2.728 1.750 1.00 22.35 H new ATOM 0 HG23 ILE A 14 5.038 -1.070 1.872 1.00 22.35 H new ATOM 0 HD11 ILE A 14 1.066 -1.121 0.552 1.00 33.51 H new ATOM 0 HD12 ILE A 14 1.670 -2.794 0.512 1.00 33.51 H new ATOM 0 HD13 ILE A 14 2.177 -1.696 1.818 1.00 33.51 H new ATOM 228 N HIS A 15 6.928 -3.554 -1.258 1.00 52.43 N ATOM 229 CA HIS A 15 8.082 -4.429 -1.093 1.00 50.31 C ATOM 230 C HIS A 15 9.366 -3.729 -1.537 1.00 12.13 C ATOM 231 O HIS A 15 10.396 -3.824 -0.872 1.00 44.02 O ATOM 232 CB HIS A 15 7.895 -5.723 -1.894 1.00 15.20 C ATOM 233 CG HIS A 15 8.363 -6.952 -1.173 1.00 12.03 C ATOM 234 ND1 HIS A 15 9.675 -7.366 -1.142 1.00 11.03 N ATOM 235 CD2 HIS A 15 7.674 -7.847 -0.429 1.00 74.41 C ATOM 236 CE1 HIS A 15 9.772 -8.460 -0.410 1.00 51.10 C ATOM 237 NE2 HIS A 15 8.571 -8.775 0.042 1.00 64.24 N ATOM 0 H HIS A 15 6.268 -3.857 -1.974 1.00 52.43 H new ATOM 0 HA HIS A 15 8.166 -4.674 -0.034 1.00 50.31 H new ATOM 0 HB2 HIS A 15 6.840 -5.837 -2.141 1.00 15.20 H new ATOM 0 HB3 HIS A 15 8.436 -5.638 -2.837 1.00 15.20 H new ATOM 0 HD2 HIS A 15 6.611 -7.834 -0.239 1.00 74.41 H new ATOM 0 HE1 HIS A 15 10.682 -9.007 -0.213 1.00 51.10 H new ATOM 0 HE2 HIS A 15 8.348 -9.571 0.639 1.00 64.24 H new ATOM 246 N ARG A 16 9.298 -3.023 -2.661 1.00 60.13 N ATOM 247 CA ARG A 16 10.479 -2.378 -3.231 1.00 43.14 C ATOM 248 C ARG A 16 10.722 -0.986 -2.640 1.00 40.03 C ATOM 249 O ARG A 16 11.866 -0.601 -2.398 1.00 61.51 O ATOM 250 CB ARG A 16 10.353 -2.298 -4.758 1.00 73.33 C ATOM 251 CG ARG A 16 9.126 -1.541 -5.243 1.00 42.35 C ATOM 252 CD ARG A 16 8.968 -1.638 -6.751 1.00 1.01 C ATOM 253 NE ARG A 16 8.899 -3.028 -7.196 1.00 50.14 N ATOM 254 CZ ARG A 16 7.847 -3.568 -7.812 1.00 42.55 C ATOM 255 NH1 ARG A 16 6.778 -2.834 -8.085 1.00 55.53 N ATOM 256 NH2 ARG A 16 7.871 -4.850 -8.152 1.00 70.40 N ATOM 0 H ARG A 16 8.441 -2.882 -3.195 1.00 60.13 H new ATOM 0 HA ARG A 16 11.342 -2.991 -2.972 1.00 43.14 H new ATOM 0 HB2 ARG A 16 11.245 -1.818 -5.160 1.00 73.33 H new ATOM 0 HB3 ARG A 16 10.326 -3.310 -5.163 1.00 73.33 H new ATOM 0 HG2 ARG A 16 8.236 -1.940 -4.757 1.00 42.35 H new ATOM 0 HG3 ARG A 16 9.205 -0.494 -4.952 1.00 42.35 H new ATOM 0 HD2 ARG A 16 8.064 -1.112 -7.057 1.00 1.01 H new ATOM 0 HD3 ARG A 16 9.807 -1.141 -7.238 1.00 1.01 H new ATOM 0 HE ARG A 16 9.709 -3.624 -7.024 1.00 50.14 H new ATOM 0 HH11 ARG A 16 6.756 -1.848 -7.824 1.00 55.53 H new ATOM 0 HH12 ARG A 16 5.977 -3.255 -8.557 1.00 55.53 H new ATOM 0 HH21 ARG A 16 8.692 -5.418 -7.942 1.00 70.40 H new ATOM 0 HH22 ARG A 16 7.069 -5.268 -8.623 1.00 70.40 H new ATOM 270 N LEU A 17 9.654 -0.238 -2.391 1.00 33.14 N ATOM 271 CA LEU A 17 9.790 1.140 -1.926 1.00 32.55 C ATOM 272 C LEU A 17 9.887 1.202 -0.408 1.00 64.42 C ATOM 273 O LEU A 17 10.204 2.245 0.163 1.00 43.43 O ATOM 274 CB LEU A 17 8.606 1.990 -2.402 1.00 50.10 C ATOM 275 CG LEU A 17 8.362 1.989 -3.914 1.00 2.24 C ATOM 276 CD1 LEU A 17 7.180 2.878 -4.261 1.00 61.41 C ATOM 277 CD2 LEU A 17 9.609 2.439 -4.662 1.00 55.04 C ATOM 0 H LEU A 17 8.692 -0.557 -2.501 1.00 33.14 H new ATOM 0 HA LEU A 17 10.711 1.540 -2.349 1.00 32.55 H new ATOM 0 HB2 LEU A 17 7.703 1.635 -1.905 1.00 50.10 H new ATOM 0 HB3 LEU A 17 8.765 3.018 -2.078 1.00 50.10 H new ATOM 0 HG LEU A 17 8.130 0.970 -4.223 1.00 2.24 H new ATOM 0 HD11 LEU A 17 7.020 2.866 -5.339 1.00 61.41 H new ATOM 0 HD12 LEU A 17 6.287 2.508 -3.758 1.00 61.41 H new ATOM 0 HD13 LEU A 17 7.384 3.898 -3.936 1.00 61.41 H new ATOM 0 HD21 LEU A 17 9.413 2.431 -5.734 1.00 55.04 H new ATOM 0 HD22 LEU A 17 9.876 3.449 -4.350 1.00 55.04 H new ATOM 0 HD23 LEU A 17 10.432 1.760 -4.438 1.00 55.04 H new ATOM 289 N GLY A 18 9.616 0.083 0.244 1.00 14.02 N ATOM 290 CA GLY A 18 9.634 0.047 1.689 1.00 21.23 C ATOM 291 C GLY A 18 10.877 -0.616 2.244 1.00 0.25 C ATOM 292 O GLY A 18 11.796 -0.965 1.499 1.00 33.21 O ATOM 0 H GLY A 18 9.383 -0.803 -0.204 1.00 14.02 H new ATOM 0 HA2 GLY A 18 9.568 1.065 2.074 1.00 21.23 H new ATOM 0 HA3 GLY A 18 8.753 -0.487 2.046 1.00 21.23 H new ATOM 296 N SER A 19 10.908 -0.767 3.558 1.00 1.43 N ATOM 297 CA SER A 19 12.006 -1.428 4.245 1.00 15.34 C ATOM 298 C SER A 19 11.450 -2.184 5.446 1.00 11.34 C ATOM 299 O SER A 19 10.437 -1.773 6.018 1.00 54.20 O ATOM 300 CB SER A 19 13.043 -0.388 4.686 1.00 55.20 C ATOM 301 OG SER A 19 14.181 -0.994 5.277 1.00 34.10 O ATOM 0 H SER A 19 10.171 -0.434 4.180 1.00 1.43 H new ATOM 0 HA SER A 19 12.498 -2.134 3.576 1.00 15.34 H new ATOM 0 HB2 SER A 19 13.353 0.204 3.825 1.00 55.20 H new ATOM 0 HB3 SER A 19 12.587 0.300 5.398 1.00 55.20 H new ATOM 0 HG SER A 19 14.820 -0.300 5.543 1.00 34.10 H new ATOM 307 N LYS A 20 12.079 -3.295 5.810 1.00 42.01 N ATOM 308 CA LYS A 20 11.596 -4.101 6.923 1.00 71.12 C ATOM 309 C LYS A 20 12.040 -3.521 8.259 1.00 43.23 C ATOM 310 O LYS A 20 13.219 -3.236 8.473 1.00 31.42 O ATOM 311 CB LYS A 20 12.039 -5.563 6.797 1.00 1.12 C ATOM 312 CG LYS A 20 11.195 -6.365 5.817 1.00 4.34 C ATOM 313 CD LYS A 20 11.623 -7.825 5.754 1.00 62.12 C ATOM 314 CE LYS A 20 10.726 -8.637 4.825 1.00 51.24 C ATOM 315 NZ LYS A 20 9.313 -8.674 5.292 1.00 71.41 N ATOM 0 H LYS A 20 12.918 -3.656 5.355 1.00 42.01 H new ATOM 0 HA LYS A 20 10.507 -4.078 6.886 1.00 71.12 H new ATOM 0 HB2 LYS A 20 13.081 -5.594 6.478 1.00 1.12 H new ATOM 0 HB3 LYS A 20 11.992 -6.036 7.778 1.00 1.12 H new ATOM 0 HG2 LYS A 20 10.147 -6.307 6.110 1.00 4.34 H new ATOM 0 HG3 LYS A 20 11.273 -5.922 4.824 1.00 4.34 H new ATOM 0 HD2 LYS A 20 12.655 -7.887 5.409 1.00 62.12 H new ATOM 0 HD3 LYS A 20 11.595 -8.256 6.755 1.00 62.12 H new ATOM 0 HE2 LYS A 20 10.764 -8.210 3.823 1.00 51.24 H new ATOM 0 HE3 LYS A 20 11.109 -9.655 4.752 1.00 51.24 H new ATOM 0 HZ1 LYS A 20 8.913 -9.617 5.113 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 9.279 -8.471 6.312 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 8.759 -7.959 4.778 1.00 71.41 H new ATOM 329 N ASN A 21 11.071 -3.350 9.143 1.00 23.40 N ATOM 330 CA ASN A 21 11.301 -2.800 10.472 1.00 52.53 C ATOM 331 C ASN A 21 11.820 -3.874 11.425 1.00 62.01 C ATOM 332 O ASN A 21 12.143 -4.987 11.003 1.00 44.15 O ATOM 333 CB ASN A 21 10.010 -2.164 11.016 1.00 54.12 C ATOM 334 CG ASN A 21 8.827 -3.121 11.062 1.00 13.01 C ATOM 335 OD1 ASN A 21 8.984 -4.332 11.230 1.00 33.43 O ATOM 336 ND2 ASN A 21 7.628 -2.580 10.902 1.00 1.41 N ATOM 0 H ASN A 21 10.097 -3.590 8.959 1.00 23.40 H new ATOM 0 HA ASN A 21 12.064 -2.025 10.396 1.00 52.53 H new ATOM 0 HB2 ASN A 21 10.198 -1.785 12.020 1.00 54.12 H new ATOM 0 HB3 ASN A 21 9.748 -1.307 10.395 1.00 54.12 H new ATOM 0 HD21 ASN A 21 6.796 -3.170 10.916 1.00 1.41 H new ATOM 0 HD22 ASN A 21 7.537 -1.573 10.765 1.00 1.41 H new ATOM 343 N ALA A 22 11.886 -3.540 12.710 1.00 71.32 N ATOM 344 CA ALA A 22 12.451 -4.434 13.716 1.00 20.34 C ATOM 345 C ALA A 22 11.600 -5.688 13.903 1.00 62.30 C ATOM 346 O ALA A 22 12.077 -6.701 14.413 1.00 43.31 O ATOM 347 CB ALA A 22 12.605 -3.696 15.036 1.00 23.05 C ATOM 0 H ALA A 22 11.553 -2.650 13.081 1.00 71.32 H new ATOM 0 HA ALA A 22 13.432 -4.756 13.365 1.00 20.34 H new ATOM 0 HB1 ALA A 22 13.027 -4.369 15.782 1.00 23.05 H new ATOM 0 HB2 ALA A 22 13.269 -2.842 14.900 1.00 23.05 H new ATOM 0 HB3 ALA A 22 11.629 -3.346 15.373 1.00 23.05 H new ATOM 353 N ASP A 23 10.345 -5.618 13.481 1.00 24.43 N ATOM 354 CA ASP A 23 9.438 -6.758 13.580 1.00 65.12 C ATOM 355 C ASP A 23 9.624 -7.680 12.379 1.00 75.23 C ATOM 356 O ASP A 23 9.204 -8.839 12.391 1.00 22.43 O ATOM 357 CB ASP A 23 7.986 -6.276 13.658 1.00 61.51 C ATOM 358 CG ASP A 23 6.996 -7.411 13.850 1.00 73.02 C ATOM 359 OD1 ASP A 23 6.863 -7.899 14.991 1.00 63.21 O ATOM 360 OD2 ASP A 23 6.340 -7.814 12.865 1.00 30.03 O ATOM 0 H ASP A 23 9.930 -4.784 13.066 1.00 24.43 H new ATOM 0 HA ASP A 23 9.669 -7.313 14.489 1.00 65.12 H new ATOM 0 HB2 ASP A 23 7.887 -5.570 14.483 1.00 61.51 H new ATOM 0 HB3 ASP A 23 7.738 -5.735 12.745 1.00 61.51 H new ATOM 365 N GLY A 24 10.280 -7.163 11.351 1.00 34.33 N ATOM 366 CA GLY A 24 10.489 -7.928 10.143 1.00 34.01 C ATOM 367 C GLY A 24 9.440 -7.632 9.090 1.00 10.55 C ATOM 368 O GLY A 24 9.379 -8.299 8.055 1.00 65.03 O ATOM 0 H GLY A 24 10.673 -6.222 11.334 1.00 34.33 H new ATOM 0 HA2 GLY A 24 11.478 -7.706 9.741 1.00 34.01 H new ATOM 0 HA3 GLY A 24 10.473 -8.992 10.381 1.00 34.01 H new ATOM 372 N LYS A 25 8.615 -6.625 9.347 1.00 32.23 N ATOM 373 CA LYS A 25 7.582 -6.233 8.401 1.00 43.25 C ATOM 374 C LYS A 25 8.043 -5.048 7.583 1.00 41.33 C ATOM 375 O LYS A 25 8.778 -4.194 8.066 1.00 65.03 O ATOM 376 CB LYS A 25 6.280 -5.868 9.116 1.00 11.11 C ATOM 377 CG LYS A 25 5.706 -6.981 9.965 1.00 71.32 C ATOM 378 CD LYS A 25 5.431 -8.235 9.152 1.00 4.22 C ATOM 379 CE LYS A 25 4.767 -9.312 9.998 1.00 35.25 C ATOM 380 NZ LYS A 25 5.598 -9.699 11.170 1.00 63.10 N ATOM 0 H LYS A 25 8.642 -6.067 10.201 1.00 32.23 H new ATOM 0 HA LYS A 25 7.396 -7.086 7.748 1.00 43.25 H new ATOM 0 HB2 LYS A 25 6.457 -4.998 9.749 1.00 11.11 H new ATOM 0 HB3 LYS A 25 5.540 -5.575 8.372 1.00 11.11 H new ATOM 0 HG2 LYS A 25 6.401 -7.217 10.771 1.00 71.32 H new ATOM 0 HG3 LYS A 25 4.781 -6.641 10.431 1.00 71.32 H new ATOM 0 HD2 LYS A 25 4.790 -7.988 8.306 1.00 4.22 H new ATOM 0 HD3 LYS A 25 6.366 -8.617 8.743 1.00 4.22 H new ATOM 0 HE2 LYS A 25 3.798 -8.953 10.345 1.00 35.25 H new ATOM 0 HE3 LYS A 25 4.579 -10.191 9.382 1.00 35.25 H new ATOM 0 HZ1 LYS A 25 5.212 -10.564 11.599 1.00 63.10 H new ATOM 0 HZ2 LYS A 25 6.576 -9.872 10.860 1.00 63.10 H new ATOM 0 HZ3 LYS A 25 5.588 -8.931 11.871 1.00 63.10 H new ATOM 394 N LEU A 26 7.604 -5.003 6.348 1.00 24.23 N ATOM 395 CA LEU A 26 7.932 -3.898 5.463 1.00 0.31 C ATOM 396 C LEU A 26 7.037 -2.717 5.758 1.00 44.24 C ATOM 397 O LEU A 26 5.882 -2.884 6.132 1.00 10.11 O ATOM 398 CB LEU A 26 7.773 -4.316 4.003 1.00 75.02 C ATOM 399 CG LEU A 26 8.844 -5.265 3.478 1.00 25.02 C ATOM 400 CD1 LEU A 26 8.360 -5.964 2.227 1.00 74.21 C ATOM 401 CD2 LEU A 26 10.126 -4.503 3.184 1.00 11.45 C ATOM 0 H LEU A 26 7.015 -5.721 5.926 1.00 24.23 H new ATOM 0 HA LEU A 26 8.970 -3.614 5.634 1.00 0.31 H new ATOM 0 HB2 LEU A 26 6.799 -4.790 3.882 1.00 75.02 H new ATOM 0 HB3 LEU A 26 7.770 -3.419 3.383 1.00 75.02 H new ATOM 0 HG LEU A 26 9.047 -6.014 4.243 1.00 25.02 H new ATOM 0 HD11 LEU A 26 9.136 -6.638 1.864 1.00 74.21 H new ATOM 0 HD12 LEU A 26 7.460 -6.535 2.454 1.00 74.21 H new ATOM 0 HD13 LEU A 26 8.135 -5.223 1.460 1.00 74.21 H new ATOM 0 HD21 LEU A 26 10.882 -5.193 2.810 1.00 11.45 H new ATOM 0 HD22 LEU A 26 9.930 -3.738 2.433 1.00 11.45 H new ATOM 0 HD23 LEU A 26 10.486 -4.031 4.098 1.00 11.45 H new ATOM 413 N SER A 27 7.574 -1.525 5.632 1.00 52.15 N ATOM 414 CA SER A 27 6.776 -0.329 5.790 1.00 74.25 C ATOM 415 C SER A 27 7.234 0.740 4.809 1.00 60.20 C ATOM 416 O SER A 27 8.430 0.868 4.529 1.00 73.13 O ATOM 417 CB SER A 27 6.877 0.179 7.229 1.00 33.50 C ATOM 418 OG SER A 27 6.554 -0.846 8.153 1.00 24.15 O ATOM 0 H SER A 27 8.558 -1.357 5.421 1.00 52.15 H new ATOM 0 HA SER A 27 5.733 -0.565 5.578 1.00 74.25 H new ATOM 0 HB2 SER A 27 7.887 0.541 7.421 1.00 33.50 H new ATOM 0 HB3 SER A 27 6.203 1.025 7.368 1.00 33.50 H new ATOM 0 HG SER A 27 6.627 -0.498 9.066 1.00 24.15 H new ATOM 424 N VAL A 28 6.279 1.482 4.274 1.00 4.25 N ATOM 425 CA VAL A 28 6.566 2.594 3.384 1.00 2.50 C ATOM 426 C VAL A 28 5.520 3.680 3.594 1.00 62.13 C ATOM 427 O VAL A 28 4.338 3.386 3.733 1.00 13.25 O ATOM 428 CB VAL A 28 6.589 2.148 1.896 1.00 34.12 C ATOM 429 CG1 VAL A 28 5.253 1.552 1.477 1.00 20.53 C ATOM 430 CG2 VAL A 28 6.970 3.308 0.984 1.00 22.23 C ATOM 0 H VAL A 28 5.285 1.331 4.444 1.00 4.25 H new ATOM 0 HA VAL A 28 7.557 2.980 3.620 1.00 2.50 H new ATOM 0 HB VAL A 28 7.348 1.372 1.797 1.00 34.12 H new ATOM 0 HG11 VAL A 28 5.301 1.250 0.431 1.00 20.53 H new ATOM 0 HG12 VAL A 28 5.032 0.682 2.096 1.00 20.53 H new ATOM 0 HG13 VAL A 28 4.467 2.296 1.604 1.00 20.53 H new ATOM 0 HG21 VAL A 28 6.979 2.969 -0.052 1.00 22.23 H new ATOM 0 HG22 VAL A 28 6.244 4.113 1.096 1.00 22.23 H new ATOM 0 HG23 VAL A 28 7.961 3.673 1.254 1.00 22.23 H new ATOM 440 N LYS A 29 5.948 4.928 3.640 1.00 62.13 N ATOM 441 CA LYS A 29 5.024 6.015 3.906 1.00 12.43 C ATOM 442 C LYS A 29 4.206 6.342 2.667 1.00 43.34 C ATOM 443 O LYS A 29 4.704 6.259 1.539 1.00 72.25 O ATOM 444 CB LYS A 29 5.768 7.246 4.427 1.00 12.40 C ATOM 445 CG LYS A 29 6.466 6.978 5.751 1.00 51.30 C ATOM 446 CD LYS A 29 6.953 8.252 6.419 1.00 22.20 C ATOM 447 CE LYS A 29 7.998 8.971 5.589 1.00 43.01 C ATOM 448 NZ LYS A 29 8.574 10.129 6.323 1.00 2.23 N ATOM 0 H LYS A 29 6.917 5.212 3.499 1.00 62.13 H new ATOM 0 HA LYS A 29 4.332 5.695 4.684 1.00 12.43 H new ATOM 0 HB2 LYS A 29 6.504 7.563 3.688 1.00 12.40 H new ATOM 0 HB3 LYS A 29 5.064 8.069 4.550 1.00 12.40 H new ATOM 0 HG2 LYS A 29 5.781 6.459 6.421 1.00 51.30 H new ATOM 0 HG3 LYS A 29 7.313 6.313 5.584 1.00 51.30 H new ATOM 0 HD2 LYS A 29 6.106 8.917 6.590 1.00 22.20 H new ATOM 0 HD3 LYS A 29 7.371 8.011 7.396 1.00 22.20 H new ATOM 0 HE2 LYS A 29 8.794 8.276 5.322 1.00 43.01 H new ATOM 0 HE3 LYS A 29 7.550 9.316 4.657 1.00 43.01 H new ATOM 0 HZ1 LYS A 29 8.906 10.841 5.642 1.00 2.23 H new ATOM 0 HZ2 LYS A 29 7.846 10.549 6.935 1.00 2.23 H new ATOM 0 HZ3 LYS A 29 9.373 9.808 6.906 1.00 2.23 H new ATOM 462 N PHE A 30 2.946 6.700 2.900 1.00 51.01 N ATOM 463 CA PHE A 30 1.976 6.947 1.838 1.00 11.33 C ATOM 464 C PHE A 30 2.510 7.932 0.802 1.00 62.14 C ATOM 465 O PHE A 30 2.354 7.717 -0.397 1.00 72.45 O ATOM 466 CB PHE A 30 0.675 7.480 2.455 1.00 15.24 C ATOM 467 CG PHE A 30 -0.425 7.730 1.462 1.00 11.52 C ATOM 468 CD1 PHE A 30 -1.185 6.681 0.976 1.00 72.23 C ATOM 469 CD2 PHE A 30 -0.705 9.016 1.026 1.00 30.45 C ATOM 470 CE1 PHE A 30 -2.203 6.907 0.069 1.00 71.25 C ATOM 471 CE2 PHE A 30 -1.721 9.248 0.118 1.00 62.12 C ATOM 472 CZ PHE A 30 -2.472 8.192 -0.360 1.00 75.20 C ATOM 0 H PHE A 30 2.567 6.828 3.838 1.00 51.01 H new ATOM 0 HA PHE A 30 1.785 6.006 1.323 1.00 11.33 H new ATOM 0 HB2 PHE A 30 0.321 6.767 3.199 1.00 15.24 H new ATOM 0 HB3 PHE A 30 0.891 8.410 2.982 1.00 15.24 H new ATOM 0 HD1 PHE A 30 -0.980 5.674 1.309 1.00 72.23 H new ATOM 0 HD2 PHE A 30 -0.123 9.845 1.400 1.00 30.45 H new ATOM 0 HE1 PHE A 30 -2.788 6.079 -0.304 1.00 71.25 H new ATOM 0 HE2 PHE A 30 -1.927 10.254 -0.217 1.00 62.12 H new ATOM 0 HZ PHE A 30 -3.268 8.371 -1.068 1.00 75.20 H new ATOM 482 N GLY A 31 3.168 8.986 1.271 1.00 50.11 N ATOM 483 CA GLY A 31 3.676 10.016 0.379 1.00 2.20 C ATOM 484 C GLY A 31 4.715 9.493 -0.594 1.00 34.33 C ATOM 485 O GLY A 31 4.784 9.940 -1.736 1.00 5.54 O ATOM 0 H GLY A 31 3.361 9.148 2.260 1.00 50.11 H new ATOM 0 HA2 GLY A 31 2.846 10.447 -0.181 1.00 2.20 H new ATOM 0 HA3 GLY A 31 4.112 10.820 0.972 1.00 2.20 H new ATOM 489 N VAL A 32 5.509 8.527 -0.147 1.00 55.24 N ATOM 490 CA VAL A 32 6.577 7.972 -0.970 1.00 72.01 C ATOM 491 C VAL A 32 5.996 7.117 -2.094 1.00 22.34 C ATOM 492 O VAL A 32 6.391 7.237 -3.254 1.00 53.35 O ATOM 493 CB VAL A 32 7.552 7.122 -0.128 1.00 32.40 C ATOM 494 CG1 VAL A 32 8.712 6.626 -0.978 1.00 25.51 C ATOM 495 CG2 VAL A 32 8.066 7.917 1.064 1.00 72.53 C ATOM 0 H VAL A 32 5.433 8.112 0.781 1.00 55.24 H new ATOM 0 HA VAL A 32 7.129 8.809 -1.399 1.00 72.01 H new ATOM 0 HB VAL A 32 7.008 6.254 0.245 1.00 32.40 H new ATOM 0 HG11 VAL A 32 9.385 6.030 -0.362 1.00 25.51 H new ATOM 0 HG12 VAL A 32 8.329 6.014 -1.795 1.00 25.51 H new ATOM 0 HG13 VAL A 32 9.254 7.479 -1.387 1.00 25.51 H new ATOM 0 HG21 VAL A 32 8.752 7.300 1.645 1.00 72.53 H new ATOM 0 HG22 VAL A 32 8.588 8.806 0.710 1.00 72.53 H new ATOM 0 HG23 VAL A 32 7.226 8.215 1.692 1.00 72.53 H new ATOM 505 N LEU A 33 5.043 6.264 -1.738 1.00 52.43 N ATOM 506 CA LEU A 33 4.399 5.384 -2.706 1.00 71.15 C ATOM 507 C LEU A 33 3.503 6.204 -3.637 1.00 65.20 C ATOM 508 O LEU A 33 3.512 6.016 -4.855 1.00 31.34 O ATOM 509 CB LEU A 33 3.588 4.309 -1.965 1.00 12.52 C ATOM 510 CG LEU A 33 3.339 3.000 -2.730 1.00 52.14 C ATOM 511 CD1 LEU A 33 2.784 1.941 -1.792 1.00 32.51 C ATOM 512 CD2 LEU A 33 2.386 3.207 -3.899 1.00 4.05 C ATOM 0 H LEU A 33 4.698 6.163 -0.783 1.00 52.43 H new ATOM 0 HA LEU A 33 5.157 4.888 -3.313 1.00 71.15 H new ATOM 0 HB2 LEU A 33 4.105 4.070 -1.036 1.00 12.52 H new ATOM 0 HB3 LEU A 33 2.623 4.735 -1.692 1.00 12.52 H new ATOM 0 HG LEU A 33 4.295 2.664 -3.131 1.00 52.14 H new ATOM 0 HD11 LEU A 33 2.612 1.018 -2.346 1.00 32.51 H new ATOM 0 HD12 LEU A 33 3.498 1.755 -0.990 1.00 32.51 H new ATOM 0 HD13 LEU A 33 1.843 2.289 -1.366 1.00 32.51 H new ATOM 0 HD21 LEU A 33 2.234 2.260 -4.416 1.00 4.05 H new ATOM 0 HD22 LEU A 33 1.430 3.576 -3.528 1.00 4.05 H new ATOM 0 HD23 LEU A 33 2.811 3.934 -4.591 1.00 4.05 H new ATOM 524 N PHE A 34 2.759 7.137 -3.052 1.00 63.11 N ATOM 525 CA PHE A 34 1.831 7.972 -3.808 1.00 13.34 C ATOM 526 C PHE A 34 2.570 8.833 -4.830 1.00 4.55 C ATOM 527 O PHE A 34 2.027 9.150 -5.884 1.00 41.23 O ATOM 528 CB PHE A 34 1.024 8.859 -2.856 1.00 44.40 C ATOM 529 CG PHE A 34 0.017 9.742 -3.543 1.00 74.21 C ATOM 530 CD1 PHE A 34 -1.182 9.220 -4.001 1.00 64.25 C ATOM 531 CD2 PHE A 34 0.269 11.093 -3.726 1.00 52.11 C ATOM 532 CE1 PHE A 34 -2.108 10.028 -4.632 1.00 0.33 C ATOM 533 CE2 PHE A 34 -0.654 11.906 -4.356 1.00 45.24 C ATOM 534 CZ PHE A 34 -1.843 11.373 -4.809 1.00 11.14 C ATOM 0 H PHE A 34 2.781 7.335 -2.052 1.00 63.11 H new ATOM 0 HA PHE A 34 1.150 7.315 -4.349 1.00 13.34 H new ATOM 0 HB2 PHE A 34 0.505 8.224 -2.138 1.00 44.40 H new ATOM 0 HB3 PHE A 34 1.713 9.485 -2.288 1.00 44.40 H new ATOM 0 HD1 PHE A 34 -1.395 8.170 -3.863 1.00 64.25 H new ATOM 0 HD2 PHE A 34 1.198 11.515 -3.372 1.00 52.11 H new ATOM 0 HE1 PHE A 34 -3.038 9.609 -4.987 1.00 0.33 H new ATOM 0 HE2 PHE A 34 -0.445 12.957 -4.493 1.00 45.24 H new ATOM 0 HZ PHE A 34 -2.566 12.006 -5.302 1.00 11.14 H new ATOM 544 N ARG A 35 3.808 9.200 -4.515 1.00 73.23 N ATOM 545 CA ARG A 35 4.615 10.020 -5.414 1.00 53.11 C ATOM 546 C ARG A 35 4.774 9.337 -6.770 1.00 63.23 C ATOM 547 O ARG A 35 4.567 9.951 -7.817 1.00 32.33 O ATOM 548 CB ARG A 35 5.992 10.292 -4.802 1.00 34.24 C ATOM 549 CG ARG A 35 6.851 11.236 -5.628 1.00 63.51 C ATOM 550 CD ARG A 35 8.212 11.454 -4.991 1.00 45.21 C ATOM 551 NE ARG A 35 8.110 12.047 -3.658 1.00 14.30 N ATOM 552 CZ ARG A 35 9.149 12.255 -2.850 1.00 42.43 C ATOM 553 NH1 ARG A 35 10.379 11.943 -3.246 1.00 43.44 N ATOM 554 NH2 ARG A 35 8.959 12.781 -1.648 1.00 33.41 N ATOM 0 H ARG A 35 4.275 8.943 -3.645 1.00 73.23 H new ATOM 0 HA ARG A 35 4.100 10.970 -5.559 1.00 53.11 H new ATOM 0 HB2 ARG A 35 5.860 10.713 -3.805 1.00 34.24 H new ATOM 0 HB3 ARG A 35 6.520 9.346 -4.681 1.00 34.24 H new ATOM 0 HG2 ARG A 35 6.979 10.829 -6.631 1.00 63.51 H new ATOM 0 HG3 ARG A 35 6.341 12.193 -5.735 1.00 63.51 H new ATOM 0 HD2 ARG A 35 8.736 10.501 -4.923 1.00 45.21 H new ATOM 0 HD3 ARG A 35 8.811 12.103 -5.630 1.00 45.21 H new ATOM 0 HE ARG A 35 7.185 12.319 -3.326 1.00 14.30 H new ATOM 0 HH11 ARG A 35 10.531 11.543 -4.172 1.00 43.44 H new ATOM 0 HH12 ARG A 35 11.171 12.104 -2.624 1.00 43.44 H new ATOM 0 HH21 ARG A 35 8.018 13.026 -1.342 1.00 33.41 H new ATOM 0 HH22 ARG A 35 9.754 12.940 -1.029 1.00 33.41 H new ATOM 568 N ASP A 36 5.130 8.058 -6.742 1.00 54.42 N ATOM 569 CA ASP A 36 5.322 7.300 -7.973 1.00 74.10 C ATOM 570 C ASP A 36 3.981 7.041 -8.653 1.00 24.02 C ATOM 571 O ASP A 36 3.853 7.188 -9.873 1.00 43.53 O ATOM 572 CB ASP A 36 6.034 5.974 -7.694 1.00 73.51 C ATOM 573 CG ASP A 36 6.535 5.311 -8.965 1.00 1.01 C ATOM 574 OD1 ASP A 36 5.765 4.566 -9.603 1.00 63.52 O ATOM 575 OD2 ASP A 36 7.708 5.540 -9.332 1.00 33.10 O ATOM 0 H ASP A 36 5.291 7.527 -5.886 1.00 54.42 H new ATOM 0 HA ASP A 36 5.948 7.893 -8.640 1.00 74.10 H new ATOM 0 HB2 ASP A 36 6.875 6.150 -7.023 1.00 73.51 H new ATOM 0 HB3 ASP A 36 5.351 5.298 -7.179 1.00 73.51 H new ATOM 580 N ASP A 37 2.980 6.676 -7.852 1.00 1.43 N ATOM 581 CA ASP A 37 1.638 6.397 -8.366 1.00 55.02 C ATOM 582 C ASP A 37 1.029 7.620 -9.029 1.00 21.02 C ATOM 583 O ASP A 37 0.381 7.509 -10.060 1.00 72.23 O ATOM 584 CB ASP A 37 0.705 5.914 -7.255 1.00 3.10 C ATOM 585 CG ASP A 37 -0.735 5.820 -7.733 1.00 73.10 C ATOM 586 OD1 ASP A 37 -1.032 4.933 -8.562 1.00 71.31 O ATOM 587 OD2 ASP A 37 -1.569 6.643 -7.295 1.00 74.05 O ATOM 0 H ASP A 37 3.073 6.566 -6.842 1.00 1.43 H new ATOM 0 HA ASP A 37 1.748 5.608 -9.110 1.00 55.02 H new ATOM 0 HB2 ASP A 37 1.036 4.938 -6.901 1.00 3.10 H new ATOM 0 HB3 ASP A 37 0.764 6.597 -6.408 1.00 3.10 H new ATOM 592 N LYS A 38 1.261 8.787 -8.448 1.00 2.31 N ATOM 593 CA LYS A 38 0.692 10.028 -8.959 1.00 2.41 C ATOM 594 C LYS A 38 1.076 10.227 -10.428 1.00 40.43 C ATOM 595 O LYS A 38 0.253 10.629 -11.250 1.00 33.25 O ATOM 596 CB LYS A 38 1.196 11.209 -8.109 1.00 4.41 C ATOM 597 CG LYS A 38 0.263 12.416 -8.074 1.00 30.55 C ATOM 598 CD LYS A 38 0.072 13.025 -9.449 1.00 40.13 C ATOM 599 CE LYS A 38 -0.858 14.222 -9.418 1.00 20.40 C ATOM 600 NZ LYS A 38 -1.295 14.600 -10.786 1.00 62.02 N ATOM 0 H LYS A 38 1.842 8.902 -7.618 1.00 2.31 H new ATOM 0 HA LYS A 38 -0.395 9.977 -8.895 1.00 2.41 H new ATOM 0 HB2 LYS A 38 1.356 10.862 -7.088 1.00 4.41 H new ATOM 0 HB3 LYS A 38 2.165 11.527 -8.493 1.00 4.41 H new ATOM 0 HG2 LYS A 38 -0.705 12.115 -7.673 1.00 30.55 H new ATOM 0 HG3 LYS A 38 0.668 13.168 -7.397 1.00 30.55 H new ATOM 0 HD2 LYS A 38 1.040 13.329 -9.848 1.00 40.13 H new ATOM 0 HD3 LYS A 38 -0.330 12.271 -10.126 1.00 40.13 H new ATOM 0 HE2 LYS A 38 -1.730 13.992 -8.806 1.00 20.40 H new ATOM 0 HE3 LYS A 38 -0.353 15.066 -8.949 1.00 20.40 H new ATOM 0 HZ1 LYS A 38 -1.930 15.422 -10.733 1.00 62.02 H new ATOM 0 HZ2 LYS A 38 -0.463 14.842 -11.362 1.00 62.02 H new ATOM 0 HZ3 LYS A 38 -1.798 13.801 -11.223 1.00 62.02 H new ATOM 614 N SER A 39 2.316 9.902 -10.753 1.00 73.22 N ATOM 615 CA SER A 39 2.840 10.136 -12.089 1.00 60.51 C ATOM 616 C SER A 39 2.223 9.185 -13.118 1.00 12.54 C ATOM 617 O SER A 39 1.873 9.600 -14.224 1.00 3.24 O ATOM 618 CB SER A 39 4.364 9.995 -12.077 1.00 51.31 C ATOM 619 OG SER A 39 4.922 10.288 -13.346 1.00 53.33 O ATOM 0 H SER A 39 2.981 9.474 -10.108 1.00 73.22 H new ATOM 0 HA SER A 39 2.571 11.150 -12.384 1.00 60.51 H new ATOM 0 HB2 SER A 39 4.787 10.666 -11.329 1.00 51.31 H new ATOM 0 HB3 SER A 39 4.634 8.980 -11.785 1.00 51.31 H new ATOM 0 HG SER A 39 5.896 10.191 -13.305 1.00 53.33 H new ATOM 625 N ALA A 40 2.075 7.920 -12.752 1.00 25.22 N ATOM 626 CA ALA A 40 1.620 6.907 -13.698 1.00 31.43 C ATOM 627 C ALA A 40 0.119 6.668 -13.601 1.00 64.31 C ATOM 628 O ALA A 40 -0.512 6.239 -14.567 1.00 32.13 O ATOM 629 CB ALA A 40 2.362 5.604 -13.461 1.00 2.44 C ATOM 0 H ALA A 40 2.262 7.570 -11.812 1.00 25.22 H new ATOM 0 HA ALA A 40 1.833 7.277 -14.701 1.00 31.43 H new ATOM 0 HB1 ALA A 40 2.016 4.854 -14.172 1.00 2.44 H new ATOM 0 HB2 ALA A 40 3.432 5.765 -13.595 1.00 2.44 H new ATOM 0 HB3 ALA A 40 2.172 5.257 -12.445 1.00 2.44 H new ATOM 635 N ASN A 41 -0.437 6.963 -12.435 1.00 23.52 N ATOM 636 CA ASN A 41 -1.817 6.620 -12.111 1.00 15.22 C ATOM 637 C ASN A 41 -2.020 5.124 -12.240 1.00 60.31 C ATOM 638 O ASN A 41 -2.765 4.645 -13.100 1.00 32.14 O ATOM 639 CB ASN A 41 -2.824 7.384 -12.977 1.00 74.04 C ATOM 640 CG ASN A 41 -2.923 8.851 -12.610 1.00 4.54 C ATOM 641 OD1 ASN A 41 -2.688 9.166 -11.344 1.00 55.10 O flip ATOM 642 ND2 ASN A 41 -3.222 9.695 -13.457 1.00 35.44 N flip ATOM 0 H ASN A 41 0.055 7.448 -11.685 1.00 23.52 H new ATOM 0 HA ASN A 41 -2.000 6.920 -11.079 1.00 15.22 H new ATOM 0 HB2 ASN A 41 -2.536 7.295 -14.024 1.00 74.04 H new ATOM 0 HB3 ASN A 41 -3.806 6.922 -12.876 1.00 74.04 H new ATOM 0 HD21 ASN A 41 -3.395 9.411 -14.421 1.00 35.44 H new ATOM 0 HD22 ASN A 41 -3.296 10.678 -13.194 1.00 35.44 H new ATOM 649 N LEU A 42 -1.317 4.388 -11.396 1.00 4.13 N ATOM 650 CA LEU A 42 -1.404 2.942 -11.394 1.00 21.12 C ATOM 651 C LEU A 42 -2.645 2.518 -10.638 1.00 51.21 C ATOM 652 O LEU A 42 -3.444 1.723 -11.126 1.00 55.25 O ATOM 653 CB LEU A 42 -0.160 2.325 -10.753 1.00 24.12 C ATOM 654 CG LEU A 42 1.165 2.663 -11.442 1.00 23.25 C ATOM 655 CD1 LEU A 42 2.327 2.034 -10.696 1.00 21.43 C ATOM 656 CD2 LEU A 42 1.149 2.199 -12.894 1.00 2.33 C ATOM 0 H LEU A 42 -0.677 4.773 -10.701 1.00 4.13 H new ATOM 0 HA LEU A 42 -1.464 2.589 -12.423 1.00 21.12 H new ATOM 0 HB2 LEU A 42 -0.105 2.653 -9.715 1.00 24.12 H new ATOM 0 HB3 LEU A 42 -0.278 1.241 -10.739 1.00 24.12 H new ATOM 0 HG LEU A 42 1.292 3.746 -11.429 1.00 23.25 H new ATOM 0 HD11 LEU A 42 3.261 2.284 -11.199 1.00 21.43 H new ATOM 0 HD12 LEU A 42 2.352 2.414 -9.675 1.00 21.43 H new ATOM 0 HD13 LEU A 42 2.204 0.951 -10.677 1.00 21.43 H new ATOM 0 HD21 LEU A 42 2.099 2.448 -13.366 1.00 2.33 H new ATOM 0 HD22 LEU A 42 0.998 1.120 -12.930 1.00 2.33 H new ATOM 0 HD23 LEU A 42 0.338 2.696 -13.426 1.00 2.33 H new ATOM 668 N PHE A 43 -2.817 3.086 -9.461 1.00 32.24 N ATOM 669 CA PHE A 43 -3.963 2.782 -8.636 1.00 13.12 C ATOM 670 C PHE A 43 -5.005 3.883 -8.780 1.00 53.05 C ATOM 671 O PHE A 43 -4.849 4.970 -8.221 1.00 43.10 O ATOM 672 CB PHE A 43 -3.545 2.649 -7.170 1.00 63.44 C ATOM 673 CG PHE A 43 -2.340 1.773 -6.948 1.00 62.31 C ATOM 674 CD1 PHE A 43 -2.454 0.392 -6.956 1.00 41.02 C ATOM 675 CD2 PHE A 43 -1.092 2.336 -6.723 1.00 11.41 C ATOM 676 CE1 PHE A 43 -1.348 -0.409 -6.736 1.00 22.45 C ATOM 677 CE2 PHE A 43 0.016 1.541 -6.506 1.00 73.33 C ATOM 678 CZ PHE A 43 -0.112 0.166 -6.516 1.00 74.51 C ATOM 0 H PHE A 43 -2.172 3.764 -9.055 1.00 32.24 H new ATOM 0 HA PHE A 43 -4.391 1.834 -8.963 1.00 13.12 H new ATOM 0 HB2 PHE A 43 -3.336 3.642 -6.772 1.00 63.44 H new ATOM 0 HB3 PHE A 43 -4.383 2.247 -6.600 1.00 63.44 H new ATOM 0 HD1 PHE A 43 -3.416 -0.064 -7.136 1.00 41.02 H new ATOM 0 HD2 PHE A 43 -0.986 3.411 -6.718 1.00 11.41 H new ATOM 0 HE1 PHE A 43 -1.451 -1.484 -6.736 1.00 22.45 H new ATOM 0 HE2 PHE A 43 0.980 1.994 -6.329 1.00 73.33 H new ATOM 0 HZ PHE A 43 0.754 -0.459 -6.352 1.00 74.51 H new ATOM 688 N GLU A 44 -6.051 3.610 -9.556 1.00 2.54 N ATOM 689 CA GLU A 44 -7.135 4.570 -9.746 1.00 50.25 C ATOM 690 C GLU A 44 -7.736 4.945 -8.396 1.00 3.05 C ATOM 691 O GLU A 44 -8.063 6.105 -8.138 1.00 64.24 O ATOM 692 CB GLU A 44 -8.215 3.986 -10.658 1.00 13.13 C ATOM 693 CG GLU A 44 -9.349 4.956 -10.946 1.00 73.02 C ATOM 694 CD GLU A 44 -10.458 4.339 -11.768 1.00 43.01 C ATOM 695 OE1 GLU A 44 -10.356 4.345 -13.012 1.00 72.42 O ATOM 696 OE2 GLU A 44 -11.445 3.855 -11.175 1.00 64.40 O ATOM 0 H GLU A 44 -6.171 2.733 -10.063 1.00 2.54 H new ATOM 0 HA GLU A 44 -6.731 5.465 -10.219 1.00 50.25 H new ATOM 0 HB2 GLU A 44 -7.759 3.681 -11.600 1.00 13.13 H new ATOM 0 HB3 GLU A 44 -8.624 3.087 -10.196 1.00 13.13 H new ATOM 0 HG2 GLU A 44 -9.760 5.316 -10.003 1.00 73.02 H new ATOM 0 HG3 GLU A 44 -8.953 5.824 -11.473 1.00 73.02 H new ATOM 703 N ALA A 45 -7.874 3.946 -7.542 1.00 64.32 N ATOM 704 CA ALA A 45 -8.287 4.164 -6.176 1.00 65.41 C ATOM 705 C ALA A 45 -7.322 3.456 -5.240 1.00 2.42 C ATOM 706 O ALA A 45 -7.551 2.315 -4.840 1.00 71.14 O ATOM 707 CB ALA A 45 -9.713 3.682 -5.953 1.00 31.01 C ATOM 0 H ALA A 45 -7.703 2.969 -7.778 1.00 64.32 H new ATOM 0 HA ALA A 45 -8.269 5.233 -5.966 1.00 65.41 H new ATOM 0 HB1 ALA A 45 -9.999 3.858 -4.916 1.00 31.01 H new ATOM 0 HB2 ALA A 45 -10.388 4.226 -6.613 1.00 31.01 H new ATOM 0 HB3 ALA A 45 -9.775 2.616 -6.170 1.00 31.01 H new ATOM 713 N LEU A 46 -6.223 4.132 -4.926 1.00 0.45 N ATOM 714 CA LEU A 46 -5.187 3.577 -4.058 1.00 1.33 C ATOM 715 C LEU A 46 -5.771 3.174 -2.708 1.00 22.54 C ATOM 716 O LEU A 46 -5.400 2.146 -2.144 1.00 71.25 O ATOM 717 CB LEU A 46 -4.056 4.598 -3.881 1.00 21.14 C ATOM 718 CG LEU A 46 -2.880 4.156 -3.000 1.00 31.31 C ATOM 719 CD1 LEU A 46 -2.307 2.832 -3.479 1.00 13.23 C ATOM 720 CD2 LEU A 46 -1.795 5.225 -2.990 1.00 73.33 C ATOM 0 H LEU A 46 -6.024 5.074 -5.262 1.00 0.45 H new ATOM 0 HA LEU A 46 -4.780 2.680 -4.525 1.00 1.33 H new ATOM 0 HB2 LEU A 46 -3.669 4.855 -4.867 1.00 21.14 H new ATOM 0 HB3 LEU A 46 -4.479 5.509 -3.457 1.00 21.14 H new ATOM 0 HG LEU A 46 -3.251 4.019 -1.984 1.00 31.31 H new ATOM 0 HD11 LEU A 46 -1.475 2.542 -2.837 1.00 13.23 H new ATOM 0 HD12 LEU A 46 -3.081 2.065 -3.439 1.00 13.23 H new ATOM 0 HD13 LEU A 46 -1.954 2.938 -4.505 1.00 13.23 H new ATOM 0 HD21 LEU A 46 -0.967 4.897 -2.361 1.00 73.33 H new ATOM 0 HD22 LEU A 46 -1.436 5.389 -4.006 1.00 73.33 H new ATOM 0 HD23 LEU A 46 -2.204 6.155 -2.596 1.00 73.33 H new ATOM 732 N VAL A 47 -6.705 3.972 -2.209 1.00 45.40 N ATOM 733 CA VAL A 47 -7.375 3.670 -0.951 1.00 12.13 C ATOM 734 C VAL A 47 -8.180 2.370 -1.060 1.00 52.43 C ATOM 735 O VAL A 47 -8.330 1.639 -0.084 1.00 53.24 O ATOM 736 CB VAL A 47 -8.287 4.836 -0.500 1.00 24.24 C ATOM 737 CG1 VAL A 47 -9.414 5.079 -1.495 1.00 35.20 C ATOM 738 CG2 VAL A 47 -8.840 4.582 0.893 1.00 72.41 C ATOM 0 H VAL A 47 -7.016 4.834 -2.656 1.00 45.40 H new ATOM 0 HA VAL A 47 -6.603 3.537 -0.193 1.00 12.13 H new ATOM 0 HB VAL A 47 -7.677 5.739 -0.466 1.00 24.24 H new ATOM 0 HG11 VAL A 47 -10.035 5.904 -1.147 1.00 35.20 H new ATOM 0 HG12 VAL A 47 -8.992 5.328 -2.469 1.00 35.20 H new ATOM 0 HG13 VAL A 47 -10.023 4.179 -1.582 1.00 35.20 H new ATOM 0 HG21 VAL A 47 -9.478 5.415 1.189 1.00 72.41 H new ATOM 0 HG22 VAL A 47 -9.423 3.661 0.891 1.00 72.41 H new ATOM 0 HG23 VAL A 47 -8.016 4.488 1.600 1.00 72.41 H new ATOM 748 N GLY A 48 -8.686 2.082 -2.255 1.00 11.34 N ATOM 749 CA GLY A 48 -9.437 0.858 -2.472 1.00 61.43 C ATOM 750 C GLY A 48 -8.537 -0.362 -2.455 1.00 21.21 C ATOM 751 O GLY A 48 -8.862 -1.377 -1.833 1.00 40.13 O ATOM 0 H GLY A 48 -8.589 2.676 -3.079 1.00 11.34 H new ATOM 0 HA2 GLY A 48 -10.201 0.758 -1.701 1.00 61.43 H new ATOM 0 HA3 GLY A 48 -9.956 0.914 -3.429 1.00 61.43 H new ATOM 755 N THR A 49 -7.413 -0.264 -3.156 1.00 44.54 N ATOM 756 CA THR A 49 -6.387 -1.298 -3.133 1.00 73.43 C ATOM 757 C THR A 49 -5.892 -1.532 -1.704 1.00 0.11 C ATOM 758 O THR A 49 -5.745 -2.677 -1.267 1.00 65.11 O ATOM 759 CB THR A 49 -5.203 -0.890 -4.030 1.00 71.53 C ATOM 760 OG1 THR A 49 -5.699 -0.347 -5.262 1.00 3.43 O ATOM 761 CG2 THR A 49 -4.300 -2.078 -4.326 1.00 23.01 C ATOM 0 H THR A 49 -7.189 0.531 -3.754 1.00 44.54 H new ATOM 0 HA THR A 49 -6.823 -2.223 -3.511 1.00 73.43 H new ATOM 0 HB THR A 49 -4.617 -0.139 -3.500 1.00 71.53 H new ATOM 0 HG1 THR A 49 -4.960 0.058 -5.762 1.00 3.43 H new ATOM 0 HG21 THR A 49 -3.474 -1.758 -4.961 1.00 23.01 H new ATOM 0 HG22 THR A 49 -3.906 -2.477 -3.391 1.00 23.01 H new ATOM 0 HG23 THR A 49 -4.872 -2.852 -4.838 1.00 23.01 H new ATOM 769 N LEU A 50 -5.647 -0.440 -0.979 1.00 53.21 N ATOM 770 CA LEU A 50 -5.244 -0.518 0.422 1.00 33.40 C ATOM 771 C LEU A 50 -6.321 -1.210 1.246 1.00 42.43 C ATOM 772 O LEU A 50 -6.026 -2.101 2.040 1.00 34.01 O ATOM 773 CB LEU A 50 -4.981 0.883 0.988 1.00 25.22 C ATOM 774 CG LEU A 50 -3.767 1.610 0.408 1.00 52.05 C ATOM 775 CD1 LEU A 50 -3.694 3.033 0.936 1.00 32.45 C ATOM 776 CD2 LEU A 50 -2.486 0.858 0.740 1.00 34.34 C ATOM 0 H LEU A 50 -5.721 0.510 -1.342 1.00 53.21 H new ATOM 0 HA LEU A 50 -4.323 -1.099 0.478 1.00 33.40 H new ATOM 0 HB2 LEU A 50 -5.866 1.497 0.818 1.00 25.22 H new ATOM 0 HB3 LEU A 50 -4.852 0.802 2.067 1.00 25.22 H new ATOM 0 HG LEU A 50 -3.877 1.648 -0.676 1.00 52.05 H new ATOM 0 HD11 LEU A 50 -2.824 3.534 0.512 1.00 32.45 H new ATOM 0 HD12 LEU A 50 -4.597 3.573 0.653 1.00 32.45 H new ATOM 0 HD13 LEU A 50 -3.608 3.014 2.022 1.00 32.45 H new ATOM 0 HD21 LEU A 50 -1.633 1.390 0.319 1.00 34.34 H new ATOM 0 HD22 LEU A 50 -2.374 0.790 1.822 1.00 34.34 H new ATOM 0 HD23 LEU A 50 -2.533 -0.145 0.317 1.00 34.34 H new ATOM 788 N LYS A 51 -7.566 -0.792 1.042 1.00 13.31 N ATOM 789 CA LYS A 51 -8.712 -1.370 1.732 1.00 63.43 C ATOM 790 C LYS A 51 -8.749 -2.885 1.548 1.00 41.24 C ATOM 791 O LYS A 51 -8.928 -3.632 2.509 1.00 55.33 O ATOM 792 CB LYS A 51 -10.007 -0.765 1.184 1.00 41.32 C ATOM 793 CG LYS A 51 -11.172 -0.816 2.155 1.00 50.01 C ATOM 794 CD LYS A 51 -11.022 0.234 3.242 1.00 64.15 C ATOM 795 CE LYS A 51 -11.039 1.639 2.654 1.00 73.42 C ATOM 796 NZ LYS A 51 -10.965 2.687 3.703 1.00 52.14 N ATOM 0 H LYS A 51 -7.808 -0.043 0.393 1.00 13.31 H new ATOM 0 HA LYS A 51 -8.618 -1.146 2.795 1.00 63.43 H new ATOM 0 HB2 LYS A 51 -9.823 0.273 0.908 1.00 41.32 H new ATOM 0 HB3 LYS A 51 -10.285 -1.293 0.272 1.00 41.32 H new ATOM 0 HG2 LYS A 51 -12.106 -0.656 1.616 1.00 50.01 H new ATOM 0 HG3 LYS A 51 -11.230 -1.806 2.607 1.00 50.01 H new ATOM 0 HD2 LYS A 51 -11.830 0.130 3.966 1.00 64.15 H new ATOM 0 HD3 LYS A 51 -10.088 0.073 3.781 1.00 64.15 H new ATOM 0 HE2 LYS A 51 -10.200 1.754 1.968 1.00 73.42 H new ATOM 0 HE3 LYS A 51 -11.949 1.776 2.070 1.00 73.42 H new ATOM 0 HZ1 LYS A 51 -10.979 3.626 3.257 1.00 52.14 H new ATOM 0 HZ2 LYS A 51 -11.779 2.595 4.343 1.00 52.14 H new ATOM 0 HZ3 LYS A 51 -10.084 2.575 4.245 1.00 52.14 H new ATOM 810 N ALA A 52 -8.566 -3.321 0.307 1.00 72.31 N ATOM 811 CA ALA A 52 -8.606 -4.737 -0.030 1.00 60.32 C ATOM 812 C ALA A 52 -7.540 -5.513 0.733 1.00 61.55 C ATOM 813 O ALA A 52 -7.834 -6.489 1.426 1.00 20.42 O ATOM 814 CB ALA A 52 -8.415 -4.922 -1.527 1.00 74.32 C ATOM 0 H ALA A 52 -8.387 -2.707 -0.488 1.00 72.31 H new ATOM 0 HA ALA A 52 -9.582 -5.128 0.259 1.00 60.32 H new ATOM 0 HB1 ALA A 52 -8.446 -5.984 -1.769 1.00 74.32 H new ATOM 0 HB2 ALA A 52 -9.211 -4.404 -2.062 1.00 74.32 H new ATOM 0 HB3 ALA A 52 -7.450 -4.510 -1.824 1.00 74.32 H new ATOM 820 N ALA A 53 -6.301 -5.056 0.623 1.00 40.42 N ATOM 821 CA ALA A 53 -5.181 -5.759 1.223 1.00 65.14 C ATOM 822 C ALA A 53 -5.196 -5.645 2.745 1.00 21.22 C ATOM 823 O ALA A 53 -4.788 -6.572 3.438 1.00 1.21 O ATOM 824 CB ALA A 53 -3.866 -5.247 0.651 1.00 42.22 C ATOM 0 H ALA A 53 -6.048 -4.203 0.124 1.00 40.42 H new ATOM 0 HA ALA A 53 -5.278 -6.816 0.977 1.00 65.14 H new ATOM 0 HB1 ALA A 53 -3.036 -5.784 1.111 1.00 42.22 H new ATOM 0 HB2 ALA A 53 -3.850 -5.409 -0.427 1.00 42.22 H new ATOM 0 HB3 ALA A 53 -3.769 -4.181 0.859 1.00 42.22 H new ATOM 830 N LYS A 54 -5.674 -4.520 3.265 1.00 61.53 N ATOM 831 CA LYS A 54 -5.754 -4.333 4.710 1.00 72.34 C ATOM 832 C LYS A 54 -6.759 -5.297 5.322 1.00 51.03 C ATOM 833 O LYS A 54 -6.514 -5.884 6.380 1.00 12.50 O ATOM 834 CB LYS A 54 -6.144 -2.895 5.072 1.00 14.33 C ATOM 835 CG LYS A 54 -6.272 -2.682 6.573 1.00 13.12 C ATOM 836 CD LYS A 54 -6.762 -1.286 6.918 1.00 23.44 C ATOM 837 CE LYS A 54 -6.984 -1.148 8.415 1.00 54.34 C ATOM 838 NZ LYS A 54 -7.426 0.217 8.796 1.00 25.32 N ATOM 0 H LYS A 54 -6.009 -3.730 2.714 1.00 61.53 H new ATOM 0 HA LYS A 54 -4.763 -4.536 5.115 1.00 72.34 H new ATOM 0 HB2 LYS A 54 -5.396 -2.209 4.674 1.00 14.33 H new ATOM 0 HB3 LYS A 54 -7.091 -2.648 4.592 1.00 14.33 H new ATOM 0 HG2 LYS A 54 -6.962 -3.419 6.985 1.00 13.12 H new ATOM 0 HG3 LYS A 54 -5.305 -2.852 7.046 1.00 13.12 H new ATOM 0 HD2 LYS A 54 -6.034 -0.547 6.584 1.00 23.44 H new ATOM 0 HD3 LYS A 54 -7.692 -1.080 6.387 1.00 23.44 H new ATOM 0 HE2 LYS A 54 -7.732 -1.873 8.737 1.00 54.34 H new ATOM 0 HE3 LYS A 54 -6.060 -1.388 8.941 1.00 54.34 H new ATOM 0 HZ1 LYS A 54 -7.882 0.186 9.730 1.00 25.32 H new ATOM 0 HZ2 LYS A 54 -6.602 0.851 8.834 1.00 25.32 H new ATOM 0 HZ3 LYS A 54 -8.104 0.572 8.091 1.00 25.32 H new ATOM 852 N ARG A 55 -7.885 -5.471 4.648 1.00 34.12 N ATOM 853 CA ARG A 55 -8.931 -6.352 5.134 1.00 42.54 C ATOM 854 C ARG A 55 -8.572 -7.812 4.886 1.00 24.40 C ATOM 855 O ARG A 55 -9.199 -8.717 5.438 1.00 64.04 O ATOM 856 CB ARG A 55 -10.270 -5.989 4.499 1.00 51.53 C ATOM 857 CG ARG A 55 -10.755 -4.613 4.923 1.00 52.21 C ATOM 858 CD ARG A 55 -12.118 -4.286 4.345 1.00 22.02 C ATOM 859 NE ARG A 55 -12.611 -2.998 4.831 1.00 31.11 N ATOM 860 CZ ARG A 55 -13.604 -2.862 5.713 1.00 1.33 C ATOM 861 NH1 ARG A 55 -14.228 -3.931 6.197 1.00 3.52 N ATOM 862 NH2 ARG A 55 -13.977 -1.654 6.111 1.00 11.13 N ATOM 0 H ARG A 55 -8.096 -5.012 3.762 1.00 34.12 H new ATOM 0 HA ARG A 55 -9.024 -6.218 6.212 1.00 42.54 H new ATOM 0 HB2 ARG A 55 -10.175 -6.020 3.414 1.00 51.53 H new ATOM 0 HB3 ARG A 55 -11.015 -6.735 4.775 1.00 51.53 H new ATOM 0 HG2 ARG A 55 -10.802 -4.565 6.011 1.00 52.21 H new ATOM 0 HG3 ARG A 55 -10.035 -3.860 4.601 1.00 52.21 H new ATOM 0 HD2 ARG A 55 -12.058 -4.267 3.257 1.00 22.02 H new ATOM 0 HD3 ARG A 55 -12.825 -5.071 4.611 1.00 22.02 H new ATOM 0 HE ARG A 55 -12.169 -2.151 4.474 1.00 31.11 H new ATOM 0 HH11 ARG A 55 -13.949 -4.865 5.895 1.00 3.52 H new ATOM 0 HH12 ARG A 55 -14.986 -3.818 6.871 1.00 3.52 H new ATOM 0 HH21 ARG A 55 -13.505 -0.828 5.743 1.00 11.13 H new ATOM 0 HH22 ARG A 55 -14.736 -1.551 6.785 1.00 11.13 H new ATOM 876 N ARG A 56 -7.562 -8.037 4.052 1.00 71.14 N ATOM 877 CA ARG A 56 -6.993 -9.372 3.881 1.00 62.05 C ATOM 878 C ARG A 56 -5.807 -9.580 4.817 1.00 53.55 C ATOM 879 O ARG A 56 -5.189 -10.647 4.819 1.00 12.53 O ATOM 880 CB ARG A 56 -6.530 -9.603 2.447 1.00 63.22 C ATOM 881 CG ARG A 56 -7.650 -9.747 1.439 1.00 54.33 C ATOM 882 CD ARG A 56 -7.107 -10.246 0.115 1.00 10.52 C ATOM 883 NE ARG A 56 -8.140 -10.337 -0.914 1.00 44.20 N ATOM 884 CZ ARG A 56 -8.068 -11.137 -1.976 1.00 24.23 C ATOM 885 NH1 ARG A 56 -7.038 -11.962 -2.122 1.00 1.20 N ATOM 886 NH2 ARG A 56 -9.042 -11.116 -2.879 1.00 63.33 N ATOM 0 H ARG A 56 -7.120 -7.314 3.484 1.00 71.14 H new ATOM 0 HA ARG A 56 -7.782 -10.085 4.120 1.00 62.05 H new ATOM 0 HB2 ARG A 56 -5.893 -8.771 2.146 1.00 63.22 H new ATOM 0 HB3 ARG A 56 -5.915 -10.502 2.418 1.00 63.22 H new ATOM 0 HG2 ARG A 56 -8.401 -10.441 1.816 1.00 54.33 H new ATOM 0 HG3 ARG A 56 -8.146 -8.787 1.297 1.00 54.33 H new ATOM 0 HD2 ARG A 56 -6.317 -9.577 -0.226 1.00 10.52 H new ATOM 0 HD3 ARG A 56 -6.654 -11.227 0.258 1.00 10.52 H new ATOM 0 HE ARG A 56 -8.969 -9.751 -0.813 1.00 44.20 H new ATOM 0 HH11 ARG A 56 -6.299 -11.984 -1.419 1.00 1.20 H new ATOM 0 HH12 ARG A 56 -6.986 -12.574 -2.937 1.00 1.20 H new ATOM 0 HH21 ARG A 56 -9.838 -10.490 -2.756 1.00 63.33 H new ATOM 0 HH22 ARG A 56 -8.994 -11.726 -3.695 1.00 63.33 H new ATOM 900 N LYS A 57 -5.495 -8.548 5.600 1.00 44.12 N ATOM 901 CA LYS A 57 -4.359 -8.568 6.522 1.00 3.43 C ATOM 902 C LYS A 57 -3.037 -8.732 5.780 1.00 41.14 C ATOM 903 O LYS A 57 -2.076 -9.295 6.305 1.00 13.45 O ATOM 904 CB LYS A 57 -4.536 -9.660 7.579 1.00 32.22 C ATOM 905 CG LYS A 57 -5.574 -9.305 8.627 1.00 34.54 C ATOM 906 CD LYS A 57 -5.169 -8.051 9.391 1.00 65.43 C ATOM 907 CE LYS A 57 -6.141 -7.733 10.513 1.00 24.01 C ATOM 908 NZ LYS A 57 -5.776 -6.474 11.217 1.00 74.13 N ATOM 0 H LYS A 57 -6.022 -7.675 5.613 1.00 44.12 H new ATOM 0 HA LYS A 57 -4.329 -7.604 7.030 1.00 3.43 H new ATOM 0 HB2 LYS A 57 -4.825 -10.590 7.089 1.00 32.22 H new ATOM 0 HB3 LYS A 57 -3.580 -9.842 8.069 1.00 32.22 H new ATOM 0 HG2 LYS A 57 -6.541 -9.148 8.148 1.00 34.54 H new ATOM 0 HG3 LYS A 57 -5.694 -10.136 9.322 1.00 34.54 H new ATOM 0 HD2 LYS A 57 -4.169 -8.185 9.804 1.00 65.43 H new ATOM 0 HD3 LYS A 57 -5.120 -7.207 8.703 1.00 65.43 H new ATOM 0 HE2 LYS A 57 -7.149 -7.644 10.107 1.00 24.01 H new ATOM 0 HE3 LYS A 57 -6.156 -8.557 11.226 1.00 24.01 H new ATOM 0 HZ1 LYS A 57 -6.462 -6.289 11.976 1.00 74.13 H new ATOM 0 HZ2 LYS A 57 -4.824 -6.568 11.626 1.00 74.13 H new ATOM 0 HZ3 LYS A 57 -5.786 -5.683 10.542 1.00 74.13 H new ATOM 922 N ILE A 58 -3.000 -8.227 4.556 1.00 65.21 N ATOM 923 CA ILE A 58 -1.773 -8.176 3.777 1.00 32.32 C ATOM 924 C ILE A 58 -1.009 -6.913 4.136 1.00 53.21 C ATOM 925 O ILE A 58 0.212 -6.920 4.260 1.00 53.10 O ATOM 926 CB ILE A 58 -2.064 -8.190 2.262 1.00 42.12 C ATOM 927 CG1 ILE A 58 -2.917 -9.407 1.906 1.00 32.13 C ATOM 928 CG2 ILE A 58 -0.763 -8.199 1.468 1.00 34.23 C ATOM 929 CD1 ILE A 58 -3.477 -9.365 0.505 1.00 24.34 C ATOM 0 H ILE A 58 -3.815 -7.843 4.077 1.00 65.21 H new ATOM 0 HA ILE A 58 -1.179 -9.059 4.013 1.00 32.32 H new ATOM 0 HB ILE A 58 -2.615 -7.286 2.002 1.00 42.12 H new ATOM 0 HG12 ILE A 58 -2.315 -10.308 2.020 1.00 32.13 H new ATOM 0 HG13 ILE A 58 -3.741 -9.482 2.615 1.00 32.13 H new ATOM 0 HG21 ILE A 58 -0.988 -8.209 0.401 1.00 34.23 H new ATOM 0 HG22 ILE A 58 -0.184 -7.308 1.709 1.00 34.23 H new ATOM 0 HG23 ILE A 58 -0.186 -9.087 1.725 1.00 34.23 H new ATOM 0 HD11 ILE A 58 -4.071 -10.261 0.324 1.00 24.34 H new ATOM 0 HD12 ILE A 58 -4.107 -8.483 0.391 1.00 24.34 H new ATOM 0 HD13 ILE A 58 -2.658 -9.321 -0.213 1.00 24.34 H new ATOM 941 N VAL A 59 -1.756 -5.838 4.321 1.00 44.23 N ATOM 942 CA VAL A 59 -1.197 -4.560 4.729 1.00 74.15 C ATOM 943 C VAL A 59 -2.005 -3.996 5.886 1.00 13.05 C ATOM 944 O VAL A 59 -3.077 -4.510 6.213 1.00 40.04 O ATOM 945 CB VAL A 59 -1.195 -3.525 3.578 1.00 20.44 C ATOM 946 CG1 VAL A 59 -0.396 -4.031 2.392 1.00 43.21 C ATOM 947 CG2 VAL A 59 -2.616 -3.181 3.160 1.00 4.35 C ATOM 0 H VAL A 59 -2.768 -5.826 4.193 1.00 44.23 H new ATOM 0 HA VAL A 59 -0.164 -4.741 5.026 1.00 74.15 H new ATOM 0 HB VAL A 59 -0.716 -2.617 3.944 1.00 20.44 H new ATOM 0 HG11 VAL A 59 -0.411 -3.284 1.598 1.00 43.21 H new ATOM 0 HG12 VAL A 59 0.634 -4.214 2.699 1.00 43.21 H new ATOM 0 HG13 VAL A 59 -0.836 -4.959 2.026 1.00 43.21 H new ATOM 0 HG21 VAL A 59 -2.591 -2.452 2.350 1.00 4.35 H new ATOM 0 HG22 VAL A 59 -3.124 -4.084 2.820 1.00 4.35 H new ATOM 0 HG23 VAL A 59 -3.154 -2.760 4.010 1.00 4.35 H new ATOM 957 N THR A 60 -1.488 -2.956 6.505 1.00 32.12 N ATOM 958 CA THR A 60 -2.213 -2.240 7.532 1.00 14.10 C ATOM 959 C THR A 60 -1.765 -0.785 7.552 1.00 12.32 C ATOM 960 O THR A 60 -0.610 -0.478 7.241 1.00 4.21 O ATOM 961 CB THR A 60 -2.009 -2.885 8.923 1.00 3.11 C ATOM 962 OG1 THR A 60 -2.865 -2.264 9.891 1.00 22.30 O ATOM 963 CG2 THR A 60 -0.559 -2.776 9.382 1.00 52.05 C ATOM 0 H THR A 60 -0.558 -2.585 6.312 1.00 32.12 H new ATOM 0 HA THR A 60 -3.277 -2.290 7.300 1.00 14.10 H new ATOM 0 HB THR A 60 -2.263 -3.941 8.835 1.00 3.11 H new ATOM 0 HG1 THR A 60 -2.727 -2.683 10.766 1.00 22.30 H new ATOM 0 HG21 THR A 60 -0.452 -3.239 10.363 1.00 52.05 H new ATOM 0 HG22 THR A 60 0.088 -3.285 8.668 1.00 52.05 H new ATOM 0 HG23 THR A 60 -0.275 -1.725 9.444 1.00 52.05 H new ATOM 971 N TYR A 61 -2.682 0.108 7.882 1.00 53.35 N ATOM 972 CA TYR A 61 -2.378 1.526 7.937 1.00 51.13 C ATOM 973 C TYR A 61 -3.371 2.247 8.845 1.00 61.04 C ATOM 974 O TYR A 61 -4.584 2.013 8.776 1.00 41.40 O ATOM 975 CB TYR A 61 -2.365 2.144 6.528 1.00 44.02 C ATOM 976 CG TYR A 61 -3.710 2.193 5.832 1.00 42.01 C ATOM 977 CD1 TYR A 61 -4.337 1.034 5.395 1.00 44.12 C ATOM 978 CD2 TYR A 61 -4.342 3.409 5.605 1.00 32.00 C ATOM 979 CE1 TYR A 61 -5.562 1.085 4.755 1.00 22.25 C ATOM 980 CE2 TYR A 61 -5.565 3.469 4.968 1.00 62.14 C ATOM 981 CZ TYR A 61 -6.174 2.304 4.546 1.00 52.30 C ATOM 982 OH TYR A 61 -7.395 2.361 3.914 1.00 1.14 O ATOM 0 H TYR A 61 -3.647 -0.126 8.117 1.00 53.35 H new ATOM 0 HA TYR A 61 -1.380 1.647 8.358 1.00 51.13 H new ATOM 0 HB2 TYR A 61 -1.973 3.159 6.597 1.00 44.02 H new ATOM 0 HB3 TYR A 61 -1.673 1.576 5.906 1.00 44.02 H new ATOM 0 HD1 TYR A 61 -3.861 0.078 5.557 1.00 44.12 H new ATOM 0 HD2 TYR A 61 -3.868 4.323 5.932 1.00 32.00 H new ATOM 0 HE1 TYR A 61 -6.037 0.175 4.420 1.00 22.25 H new ATOM 0 HE2 TYR A 61 -6.043 4.423 4.800 1.00 62.14 H new ATOM 0 HH TYR A 61 -7.686 3.294 3.848 1.00 1.14 H new ATOM 992 N PRO A 62 -2.853 3.105 9.731 1.00 35.14 N ATOM 993 CA PRO A 62 -3.663 3.876 10.678 1.00 14.41 C ATOM 994 C PRO A 62 -4.499 4.956 9.992 1.00 61.24 C ATOM 995 O PRO A 62 -4.173 5.411 8.891 1.00 12.45 O ATOM 996 CB PRO A 62 -2.622 4.526 11.605 1.00 42.15 C ATOM 997 CG PRO A 62 -1.339 3.818 11.325 1.00 14.01 C ATOM 998 CD PRO A 62 -1.421 3.381 9.898 1.00 21.22 C ATOM 0 HA PRO A 62 -4.382 3.241 11.196 1.00 14.41 H new ATOM 0 HB2 PRO A 62 -2.532 5.594 11.406 1.00 42.15 H new ATOM 0 HB3 PRO A 62 -2.908 4.420 12.651 1.00 42.15 H new ATOM 0 HG2 PRO A 62 -0.485 4.477 11.484 1.00 14.01 H new ATOM 0 HG3 PRO A 62 -1.210 2.963 11.989 1.00 14.01 H new ATOM 0 HD2 PRO A 62 -1.075 4.157 9.216 1.00 21.22 H new ATOM 0 HD3 PRO A 62 -0.813 2.497 9.709 1.00 21.22 H new ATOM 1125 N HIS A 71 -1.390 12.978 6.184 1.00 4.02 N ATOM 1126 CA HIS A 71 -1.112 11.601 6.561 1.00 45.21 C ATOM 1127 C HIS A 71 -0.253 10.895 5.527 1.00 34.32 C ATOM 1128 O HIS A 71 -0.126 9.677 5.543 1.00 35.04 O ATOM 1129 CB HIS A 71 -2.391 10.823 6.814 1.00 60.13 C ATOM 1130 CG HIS A 71 -2.998 11.122 8.145 1.00 40.32 C ATOM 1131 ND1 HIS A 71 -2.260 11.358 9.290 1.00 44.31 N ATOM 1132 CD2 HIS A 71 -4.286 11.234 8.505 1.00 1.20 C ATOM 1133 CE1 HIS A 71 -3.081 11.604 10.293 1.00 50.12 C ATOM 1134 NE2 HIS A 71 -4.317 11.534 9.841 1.00 44.13 N ATOM 0 HA HIS A 71 -0.548 11.638 7.493 1.00 45.21 H new ATOM 0 HB2 HIS A 71 -3.113 11.055 6.031 1.00 60.13 H new ATOM 0 HB3 HIS A 71 -2.180 9.756 6.748 1.00 60.13 H new ATOM 0 HD2 HIS A 71 -5.142 11.110 7.859 1.00 1.20 H new ATOM 0 HE1 HIS A 71 -2.790 11.825 11.309 1.00 50.12 H new ATOM 0 HE2 HIS A 71 -5.160 11.680 10.396 1.00 44.13 H new ATOM 1143 N ASP A 72 0.348 11.668 4.637 1.00 34.12 N ATOM 1144 CA ASP A 72 1.283 11.120 3.657 1.00 14.12 C ATOM 1145 C ASP A 72 2.542 10.631 4.359 1.00 50.31 C ATOM 1146 O ASP A 72 3.344 9.885 3.796 1.00 62.24 O ATOM 1147 CB ASP A 72 1.638 12.175 2.605 1.00 1.24 C ATOM 1148 CG ASP A 72 0.479 12.485 1.677 1.00 32.32 C ATOM 1149 OD1 ASP A 72 -0.608 12.857 2.175 1.00 74.02 O ATOM 1150 OD2 ASP A 72 0.650 12.373 0.447 1.00 54.30 O ATOM 0 H ASP A 72 0.208 12.676 4.570 1.00 34.12 H new ATOM 0 HA ASP A 72 0.808 10.278 3.153 1.00 14.12 H new ATOM 0 HB2 ASP A 72 1.953 13.091 3.106 1.00 1.24 H new ATOM 0 HB3 ASP A 72 2.486 11.825 2.017 1.00 1.24 H new ATOM 1155 N ASP A 73 2.697 11.047 5.606 1.00 71.42 N ATOM 1156 CA ASP A 73 3.828 10.640 6.427 1.00 41.31 C ATOM 1157 C ASP A 73 3.472 9.381 7.227 1.00 54.53 C ATOM 1158 O ASP A 73 4.247 8.907 8.053 1.00 5.21 O ATOM 1159 CB ASP A 73 4.218 11.792 7.358 1.00 35.13 C ATOM 1160 CG ASP A 73 5.493 11.534 8.135 1.00 42.34 C ATOM 1161 OD1 ASP A 73 6.584 11.541 7.519 1.00 11.33 O ATOM 1162 OD2 ASP A 73 5.412 11.366 9.369 1.00 35.11 O ATOM 0 H ASP A 73 2.045 11.674 6.077 1.00 71.42 H new ATOM 0 HA ASP A 73 4.679 10.402 5.789 1.00 41.31 H new ATOM 0 HB2 ASP A 73 4.339 12.701 6.768 1.00 35.13 H new ATOM 0 HB3 ASP A 73 3.404 11.973 8.060 1.00 35.13 H new ATOM 1167 N VAL A 74 2.282 8.845 6.976 1.00 31.21 N ATOM 1168 CA VAL A 74 1.833 7.628 7.638 1.00 52.32 C ATOM 1169 C VAL A 74 2.471 6.404 6.992 1.00 11.04 C ATOM 1170 O VAL A 74 2.478 6.265 5.766 1.00 13.21 O ATOM 1171 CB VAL A 74 0.290 7.500 7.599 1.00 12.01 C ATOM 1172 CG1 VAL A 74 -0.164 6.102 8.001 1.00 31.22 C ATOM 1173 CG2 VAL A 74 -0.357 8.544 8.504 1.00 43.21 C ATOM 0 H VAL A 74 1.610 9.237 6.316 1.00 31.21 H new ATOM 0 HA VAL A 74 2.144 7.686 8.681 1.00 52.32 H new ATOM 0 HB VAL A 74 -0.029 7.675 6.572 1.00 12.01 H new ATOM 0 HG11 VAL A 74 -1.252 6.048 7.963 1.00 31.22 H new ATOM 0 HG12 VAL A 74 0.260 5.370 7.314 1.00 31.22 H new ATOM 0 HG13 VAL A 74 0.174 5.887 9.015 1.00 31.22 H new ATOM 0 HG21 VAL A 74 -1.441 8.439 8.464 1.00 43.21 H new ATOM 0 HG22 VAL A 74 -0.016 8.398 9.529 1.00 43.21 H new ATOM 0 HG23 VAL A 74 -0.077 9.542 8.167 1.00 43.21 H new ATOM 1183 N ASP A 75 3.023 5.541 7.830 1.00 12.12 N ATOM 1184 CA ASP A 75 3.668 4.316 7.374 1.00 41.44 C ATOM 1185 C ASP A 75 2.631 3.265 7.017 1.00 73.03 C ATOM 1186 O ASP A 75 1.830 2.857 7.861 1.00 64.33 O ATOM 1187 CB ASP A 75 4.594 3.744 8.455 1.00 35.42 C ATOM 1188 CG ASP A 75 5.721 4.676 8.845 1.00 52.41 C ATOM 1189 OD1 ASP A 75 5.512 5.528 9.736 1.00 12.54 O ATOM 1190 OD2 ASP A 75 6.834 4.537 8.294 1.00 72.03 O ATOM 0 H ASP A 75 3.038 5.667 8.842 1.00 12.12 H new ATOM 0 HA ASP A 75 4.256 4.569 6.492 1.00 41.44 H new ATOM 0 HB2 ASP A 75 4.003 3.511 9.341 1.00 35.42 H new ATOM 0 HB3 ASP A 75 5.018 2.805 8.099 1.00 35.42 H new ATOM 1195 N ILE A 76 2.643 2.834 5.769 1.00 54.22 N ATOM 1196 CA ILE A 76 1.818 1.720 5.343 1.00 52.12 C ATOM 1197 C ILE A 76 2.609 0.433 5.541 1.00 42.04 C ATOM 1198 O ILE A 76 3.625 0.210 4.880 1.00 21.42 O ATOM 1199 CB ILE A 76 1.398 1.845 3.862 1.00 42.32 C ATOM 1200 CG1 ILE A 76 0.935 3.275 3.537 1.00 65.52 C ATOM 1201 CG2 ILE A 76 0.299 0.839 3.541 1.00 1.33 C ATOM 1202 CD1 ILE A 76 -0.245 3.756 4.355 1.00 31.23 C ATOM 0 H ILE A 76 3.217 3.241 5.031 1.00 54.22 H new ATOM 0 HA ILE A 76 0.907 1.715 5.941 1.00 52.12 H new ATOM 0 HB ILE A 76 2.266 1.626 3.240 1.00 42.32 H new ATOM 0 HG12 ILE A 76 1.770 3.958 3.692 1.00 65.52 H new ATOM 0 HG13 ILE A 76 0.673 3.327 2.480 1.00 65.52 H new ATOM 0 HG21 ILE A 76 0.011 0.936 2.494 1.00 1.33 H new ATOM 0 HG22 ILE A 76 0.666 -0.171 3.724 1.00 1.33 H new ATOM 0 HG23 ILE A 76 -0.567 1.031 4.175 1.00 1.33 H new ATOM 0 HD11 ILE A 76 -0.503 4.773 4.059 1.00 31.23 H new ATOM 0 HD12 ILE A 76 -1.099 3.101 4.182 1.00 31.23 H new ATOM 0 HD13 ILE A 76 0.016 3.741 5.413 1.00 31.23 H new ATOM 1214 N ILE A 77 2.162 -0.400 6.465 1.00 25.12 N ATOM 1215 CA ILE A 77 2.919 -1.581 6.847 1.00 61.44 C ATOM 1216 C ILE A 77 2.432 -2.816 6.094 1.00 53.11 C ATOM 1217 O ILE A 77 1.241 -3.118 6.079 1.00 73.00 O ATOM 1218 CB ILE A 77 2.816 -1.837 8.366 1.00 23.32 C ATOM 1219 CG1 ILE A 77 3.282 -0.600 9.141 1.00 24.22 C ATOM 1220 CG2 ILE A 77 3.632 -3.060 8.764 1.00 74.32 C ATOM 1221 CD1 ILE A 77 3.150 -0.731 10.644 1.00 62.01 C ATOM 0 H ILE A 77 1.280 -0.281 6.964 1.00 25.12 H new ATOM 0 HA ILE A 77 3.960 -1.394 6.585 1.00 61.44 H new ATOM 0 HB ILE A 77 1.773 -2.033 8.615 1.00 23.32 H new ATOM 0 HG12 ILE A 77 4.325 -0.400 8.894 1.00 24.22 H new ATOM 0 HG13 ILE A 77 2.705 0.263 8.809 1.00 24.22 H new ATOM 0 HG21 ILE A 77 3.545 -3.222 9.838 1.00 74.32 H new ATOM 0 HG22 ILE A 77 3.257 -3.936 8.234 1.00 74.32 H new ATOM 0 HG23 ILE A 77 4.678 -2.899 8.505 1.00 74.32 H new ATOM 0 HD11 ILE A 77 3.500 0.184 11.121 1.00 62.01 H new ATOM 0 HD12 ILE A 77 2.105 -0.899 10.904 1.00 62.01 H new ATOM 0 HD13 ILE A 77 3.750 -1.573 10.990 1.00 62.01 H new ATOM 1233 N LEU A 78 3.365 -3.516 5.467 1.00 45.52 N ATOM 1234 CA LEU A 78 3.070 -4.762 4.781 1.00 11.03 C ATOM 1235 C LEU A 78 3.230 -5.924 5.755 1.00 74.31 C ATOM 1236 O LEU A 78 4.341 -6.248 6.178 1.00 4.21 O ATOM 1237 CB LEU A 78 4.014 -4.940 3.585 1.00 10.01 C ATOM 1238 CG LEU A 78 3.744 -6.162 2.701 1.00 2.21 C ATOM 1239 CD1 LEU A 78 2.401 -6.031 2.006 1.00 2.41 C ATOM 1240 CD2 LEU A 78 4.853 -6.336 1.674 1.00 34.45 C ATOM 0 H LEU A 78 4.345 -3.236 5.420 1.00 45.52 H new ATOM 0 HA LEU A 78 2.044 -4.739 4.413 1.00 11.03 H new ATOM 0 HB2 LEU A 78 3.957 -4.046 2.964 1.00 10.01 H new ATOM 0 HB3 LEU A 78 5.036 -5.004 3.959 1.00 10.01 H new ATOM 0 HG LEU A 78 3.721 -7.045 3.339 1.00 2.21 H new ATOM 0 HD11 LEU A 78 2.227 -6.908 1.383 1.00 2.41 H new ATOM 0 HD12 LEU A 78 1.611 -5.954 2.753 1.00 2.41 H new ATOM 0 HD13 LEU A 78 2.400 -5.137 1.383 1.00 2.41 H new ATOM 0 HD21 LEU A 78 4.643 -7.209 1.056 1.00 34.45 H new ATOM 0 HD22 LEU A 78 4.907 -5.449 1.043 1.00 34.45 H new ATOM 0 HD23 LEU A 78 5.805 -6.475 2.186 1.00 34.45 H new ATOM 1252 N LEU A 79 2.115 -6.541 6.110 1.00 14.22 N ATOM 1253 CA LEU A 79 2.110 -7.633 7.072 1.00 20.44 C ATOM 1254 C LEU A 79 2.462 -8.947 6.390 1.00 4.11 C ATOM 1255 O LEU A 79 3.239 -9.745 6.918 1.00 20.14 O ATOM 1256 CB LEU A 79 0.738 -7.741 7.742 1.00 52.52 C ATOM 1257 CG LEU A 79 0.283 -6.496 8.505 1.00 31.35 C ATOM 1258 CD1 LEU A 79 -1.116 -6.696 9.062 1.00 52.44 C ATOM 1259 CD2 LEU A 79 1.260 -6.171 9.627 1.00 71.42 C ATOM 0 H LEU A 79 1.194 -6.302 5.743 1.00 14.22 H new ATOM 0 HA LEU A 79 2.861 -7.425 7.834 1.00 20.44 H new ATOM 0 HB2 LEU A 79 -0.004 -7.970 6.977 1.00 52.52 H new ATOM 0 HB3 LEU A 79 0.755 -8.584 8.433 1.00 52.52 H new ATOM 0 HG LEU A 79 0.262 -5.656 7.811 1.00 31.35 H new ATOM 0 HD11 LEU A 79 -1.424 -5.801 9.602 1.00 52.44 H new ATOM 0 HD12 LEU A 79 -1.810 -6.883 8.243 1.00 52.44 H new ATOM 0 HD13 LEU A 79 -1.119 -7.548 9.741 1.00 52.44 H new ATOM 0 HD21 LEU A 79 0.920 -5.282 10.159 1.00 71.42 H new ATOM 0 HD22 LEU A 79 1.311 -7.011 10.320 1.00 71.42 H new ATOM 0 HD23 LEU A 79 2.249 -5.987 9.207 1.00 71.42 H new ATOM 1271 N GLN A 80 1.904 -9.161 5.210 1.00 72.44 N ATOM 1272 CA GLN A 80 2.146 -10.389 4.475 1.00 31.42 C ATOM 1273 C GLN A 80 3.112 -10.150 3.327 1.00 22.54 C ATOM 1274 O GLN A 80 2.935 -9.227 2.535 1.00 62.32 O ATOM 1275 CB GLN A 80 0.832 -10.956 3.931 1.00 70.03 C ATOM 1276 CG GLN A 80 -0.062 -11.572 4.993 1.00 0.03 C ATOM 1277 CD GLN A 80 -1.256 -12.290 4.393 1.00 50.04 C ATOM 1278 OE1 GLN A 80 -2.367 -11.585 4.245 1.00 61.32 O flip ATOM 1279 NE2 GLN A 80 -1.180 -13.475 4.071 1.00 25.11 N flip ATOM 0 H GLN A 80 1.282 -8.502 4.742 1.00 72.44 H new ATOM 0 HA GLN A 80 2.589 -11.109 5.163 1.00 31.42 H new ATOM 0 HB2 GLN A 80 0.285 -10.159 3.428 1.00 70.03 H new ATOM 0 HB3 GLN A 80 1.058 -11.711 3.178 1.00 70.03 H new ATOM 0 HG2 GLN A 80 0.519 -12.274 5.591 1.00 0.03 H new ATOM 0 HG3 GLN A 80 -0.412 -10.791 5.668 1.00 0.03 H new ATOM 0 HE21 GLN A 80 -0.306 -13.984 4.201 1.00 25.11 H new ATOM 0 HE22 GLN A 80 -1.991 -13.949 3.674 1.00 25.11 H new ATOM 1288 N ASP A 81 4.120 -10.998 3.228 1.00 11.23 N ATOM 1289 CA ASP A 81 5.051 -10.941 2.115 1.00 64.11 C ATOM 1290 C ASP A 81 4.551 -11.818 0.981 1.00 22.02 C ATOM 1291 O ASP A 81 4.960 -12.972 0.842 1.00 13.22 O ATOM 1292 CB ASP A 81 6.462 -11.367 2.538 1.00 40.24 C ATOM 1293 CG ASP A 81 7.238 -10.248 3.209 1.00 33.31 C ATOM 1294 OD1 ASP A 81 7.059 -10.030 4.428 1.00 63.42 O ATOM 1295 OD2 ASP A 81 8.045 -9.585 2.521 1.00 31.32 O ATOM 0 H ASP A 81 4.315 -11.735 3.906 1.00 11.23 H new ATOM 0 HA ASP A 81 5.109 -9.907 1.774 1.00 64.11 H new ATOM 0 HB2 ASP A 81 6.392 -12.214 3.220 1.00 40.24 H new ATOM 0 HB3 ASP A 81 7.012 -11.709 1.661 1.00 40.24 H new