USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 970 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 43 GLN :FLIP amide:sc= -3.95! C(o=-7.6!,f=-6.3!) USER MOD Set 1.2: A 123 GLN : amide:sc= -2.35 K(o=-6.3,f=-7.6!) USER MOD Set 2.1: A 51 HIS : no HE2:sc= 0.268 K(o=0.47,f=-2.8) USER MOD Set 2.2: A 56 HIS : no HE2:sc= 0.198 K(o=0.47,f=-0.8) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -103:sc= -0.485 (180deg=-1.96!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 155:sc= -0.131 (180deg=-1.07) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0315 F(o=-2.1,f=-0.032) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -157:sc= -0.0975 (180deg=-0.739) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 130:sc= -2.36 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 41 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.4) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.455 F(o=-1.6,f=-0.45) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.114) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.359 F(o=-2.4,f=-0.36) USER MOD Single : A 64 ASN : amide:sc= -0.608! C(o=-0.61!,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0376 USER MOD Single : A 71 GLN :FLIP amide:sc= -6.6! F(o=-7.6,f=-6.6!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -2.35! USER MOD Single : A 83 SER OG : rot -72:sc= 1.1 USER MOD Single : A 84 ASN : amide:sc= -8.97! C(o=-9!,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 140:sc= 1.2 (180deg=-0.991) USER MOD Single : A 92 GLN :FLIP amide:sc= -2.62 F(o=-5!,f=-2.6) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.155 F(o=-0.78,f=-0.16) USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= -0.0238 (180deg=-0.291) USER MOD Single : A 114 SER OG : rot -80:sc= -0.702 USER MOD Single : A 120 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.3!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.363 -1.754 21.116 1.00 1.00 N ATOM 2 CA GLY A 1 -14.262 -3.242 21.112 1.00 1.00 C ATOM 3 C GLY A 1 -13.090 -3.674 20.232 1.00 1.00 C ATOM 4 O GLY A 1 -12.045 -4.088 20.735 1.00 1.00 O ATOM 0 H1 GLY A 1 -13.979 -1.382 22.008 1.00 1.00 H new ATOM 0 H2 GLY A 1 -13.820 -1.367 20.318 1.00 1.00 H new ATOM 0 H3 GLY A 1 -15.360 -1.473 21.025 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -14.122 -3.610 22.128 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -15.189 -3.678 20.740 1.00 1.00 H new ATOM 10 N PRO A 2 -13.248 -3.582 18.938 1.00 1.00 N ATOM 11 CA PRO A 2 -12.180 -3.969 17.965 1.00 1.00 C ATOM 12 C PRO A 2 -10.941 -3.078 18.089 1.00 1.00 C ATOM 13 O PRO A 2 -9.848 -3.462 17.676 1.00 1.00 O ATOM 14 CB PRO A 2 -12.860 -3.809 16.591 1.00 1.00 C ATOM 15 CG PRO A 2 -14.000 -2.863 16.824 1.00 1.00 C ATOM 16 CD PRO A 2 -14.462 -3.100 18.263 1.00 1.00 C ATOM 0 HA PRO A 2 -11.810 -4.980 18.136 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -12.164 -3.413 15.851 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -13.215 -4.768 16.213 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -13.684 -1.830 16.682 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -14.810 -3.049 16.119 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -14.839 -2.185 18.720 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -15.266 -3.834 18.311 1.00 1.00 H new ATOM 24 N LEU A 3 -11.119 -1.893 18.664 1.00 1.00 N ATOM 25 CA LEU A 3 -10.006 -0.964 18.836 1.00 1.00 C ATOM 26 C LEU A 3 -9.106 -1.419 19.983 1.00 1.00 C ATOM 27 O LEU A 3 -9.575 -2.017 20.952 1.00 1.00 O ATOM 28 CB LEU A 3 -10.539 0.442 19.129 1.00 1.00 C ATOM 29 CG LEU A 3 -11.397 0.937 17.954 1.00 1.00 C ATOM 30 CD1 LEU A 3 -12.060 2.260 18.339 1.00 1.00 C ATOM 31 CD2 LEU A 3 -10.527 1.143 16.702 1.00 1.00 C ATOM 0 H LEU A 3 -12.014 -1.555 19.016 1.00 1.00 H new ATOM 0 HA LEU A 3 -9.424 -0.946 17.915 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -11.132 0.431 20.043 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -9.708 1.127 19.296 1.00 1.00 H new ATOM 0 HG LEU A 3 -12.159 0.190 17.731 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -12.670 2.616 17.509 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -12.691 2.109 19.215 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -11.292 2.999 18.568 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -11.150 1.494 15.879 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -9.755 1.883 16.913 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -10.058 0.199 16.425 1.00 1.00 H new ATOM 43 N GLY A 4 -7.812 -1.136 19.865 1.00 1.00 N ATOM 44 CA GLY A 4 -6.858 -1.523 20.898 1.00 1.00 C ATOM 45 C GLY A 4 -6.937 -0.577 22.092 1.00 1.00 C ATOM 46 O GLY A 4 -7.624 0.443 22.041 1.00 1.00 O ATOM 0 H GLY A 4 -7.403 -0.644 19.071 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -7.061 -2.543 21.223 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -5.848 -1.514 20.488 1.00 1.00 H new ATOM 50 N SER A 5 -6.236 -0.926 23.166 1.00 1.00 N ATOM 51 CA SER A 5 -6.241 -0.101 24.369 1.00 1.00 C ATOM 52 C SER A 5 -5.560 1.238 24.109 1.00 1.00 C ATOM 53 O SER A 5 -5.754 2.201 24.851 1.00 1.00 O ATOM 54 CB SER A 5 -5.516 -0.824 25.503 1.00 1.00 C ATOM 55 OG SER A 5 -4.153 -1.008 25.144 1.00 1.00 O ATOM 0 H SER A 5 -5.662 -1.767 23.228 1.00 1.00 H new ATOM 0 HA SER A 5 -7.278 0.079 24.653 1.00 1.00 H new ATOM 0 HB2 SER A 5 -5.587 -0.245 26.424 1.00 1.00 H new ATOM 0 HB3 SER A 5 -5.987 -1.788 25.696 1.00 1.00 H new ATOM 0 HG SER A 5 -3.683 -1.470 25.869 1.00 1.00 H new ATOM 61 N MET A 6 -4.758 1.287 23.046 1.00 1.00 N ATOM 62 CA MET A 6 -4.038 2.511 22.676 1.00 1.00 C ATOM 63 C MET A 6 -4.276 2.854 21.207 1.00 1.00 C ATOM 64 O MET A 6 -4.471 1.971 20.376 1.00 1.00 O ATOM 65 CB MET A 6 -2.539 2.329 22.923 1.00 1.00 C ATOM 66 CG MET A 6 -2.279 2.269 24.428 1.00 1.00 C ATOM 67 SD MET A 6 -0.513 1.986 24.722 1.00 1.00 S ATOM 68 CE MET A 6 0.095 3.586 24.122 1.00 1.00 C ATOM 0 H MET A 6 -4.589 0.496 22.425 1.00 1.00 H new ATOM 0 HA MET A 6 -4.412 3.329 23.292 1.00 1.00 H new ATOM 0 HB2 MET A 6 -2.188 1.414 22.445 1.00 1.00 H new ATOM 0 HB3 MET A 6 -1.983 3.154 22.479 1.00 1.00 H new ATOM 0 HG2 MET A 6 -2.593 3.200 24.900 1.00 1.00 H new ATOM 0 HG3 MET A 6 -2.867 1.469 24.878 1.00 1.00 H new ATOM 0 HE1 MET A 6 1.050 3.813 24.596 1.00 1.00 H new ATOM 0 HE2 MET A 6 0.227 3.543 23.041 1.00 1.00 H new ATOM 0 HE3 MET A 6 -0.627 4.365 24.368 1.00 1.00 H new ATOM 78 N GLU A 7 -4.257 4.149 20.902 1.00 1.00 N ATOM 79 CA GLU A 7 -4.476 4.613 19.534 1.00 1.00 C ATOM 80 C GLU A 7 -3.725 3.720 18.536 1.00 1.00 C ATOM 81 O GLU A 7 -2.680 3.166 18.872 1.00 1.00 O ATOM 82 CB GLU A 7 -3.983 6.055 19.406 1.00 1.00 C ATOM 83 CG GLU A 7 -4.923 6.989 20.169 1.00 1.00 C ATOM 84 CD GLU A 7 -4.415 8.424 20.085 1.00 1.00 C ATOM 85 OE1 GLU A 7 -4.560 9.023 19.032 1.00 1.00 O ATOM 86 OE2 GLU A 7 -3.889 8.905 21.076 1.00 1.00 O ATOM 0 H GLU A 7 -4.093 4.893 21.580 1.00 1.00 H new ATOM 0 HA GLU A 7 -5.542 4.565 19.309 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -2.971 6.140 19.801 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -3.941 6.344 18.356 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -5.928 6.926 19.753 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -4.990 6.679 21.212 1.00 1.00 H new ATOM 93 N PRO A 8 -4.225 3.562 17.328 1.00 1.00 N ATOM 94 CA PRO A 8 -3.559 2.705 16.298 1.00 1.00 C ATOM 95 C PRO A 8 -2.310 3.375 15.710 1.00 1.00 C ATOM 96 O PRO A 8 -2.157 4.595 15.789 1.00 1.00 O ATOM 97 CB PRO A 8 -4.648 2.524 15.233 1.00 1.00 C ATOM 98 CG PRO A 8 -5.473 3.767 15.327 1.00 1.00 C ATOM 99 CD PRO A 8 -5.467 4.169 16.807 1.00 1.00 C ATOM 0 HA PRO A 8 -3.198 1.762 16.710 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -4.216 2.409 14.239 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -5.247 1.634 15.425 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -5.056 4.560 14.706 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -6.489 3.588 14.976 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -5.465 5.252 16.928 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -6.347 3.792 17.328 1.00 1.00 H new ATOM 107 N PRO A 9 -1.426 2.603 15.126 1.00 1.00 N ATOM 108 CA PRO A 9 -0.168 3.135 14.514 1.00 1.00 C ATOM 109 C PRO A 9 -0.456 4.069 13.340 1.00 1.00 C ATOM 110 O PRO A 9 0.299 5.004 13.075 1.00 1.00 O ATOM 111 CB PRO A 9 0.576 1.868 14.049 1.00 1.00 C ATOM 112 CG PRO A 9 -0.485 0.823 13.910 1.00 1.00 C ATOM 113 CD PRO A 9 -1.528 1.143 14.978 1.00 1.00 C ATOM 0 HA PRO A 9 0.411 3.735 15.215 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.089 2.037 13.102 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.333 1.567 14.773 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.927 0.844 12.914 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.072 -0.175 14.054 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.528 0.839 14.667 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.315 0.628 15.915 1.00 1.00 H new ATOM 121 N LEU A 10 -1.549 3.800 12.640 1.00 1.00 N ATOM 122 CA LEU A 10 -1.930 4.615 11.492 1.00 1.00 C ATOM 123 C LEU A 10 -2.449 5.976 11.968 1.00 1.00 C ATOM 124 O LEU A 10 -2.823 6.109 13.132 1.00 1.00 O ATOM 125 CB LEU A 10 -3.019 3.891 10.690 1.00 1.00 C ATOM 126 CG LEU A 10 -2.518 2.505 10.243 1.00 1.00 C ATOM 127 CD1 LEU A 10 -3.715 1.602 9.933 1.00 1.00 C ATOM 128 CD2 LEU A 10 -1.652 2.637 8.982 1.00 1.00 C ATOM 0 H LEU A 10 -2.185 3.029 12.844 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.059 4.773 10.856 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -3.917 3.782 11.298 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.294 4.485 9.818 1.00 1.00 H new ATOM 0 HG LEU A 10 -1.923 2.071 11.047 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.359 0.622 9.617 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.330 1.494 10.826 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.309 2.047 9.135 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.303 1.651 8.675 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.243 3.079 8.180 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.794 3.275 9.195 1.00 1.00 H new ATOM 140 N PRO A 11 -2.495 6.992 11.122 1.00 1.00 N ATOM 141 CA PRO A 11 -3.001 8.333 11.544 1.00 1.00 C ATOM 142 C PRO A 11 -4.454 8.266 12.010 1.00 1.00 C ATOM 143 O PRO A 11 -5.255 7.495 11.479 1.00 1.00 O ATOM 144 CB PRO A 11 -2.854 9.217 10.289 1.00 1.00 C ATOM 145 CG PRO A 11 -1.889 8.492 9.411 1.00 1.00 C ATOM 146 CD PRO A 11 -2.084 7.005 9.701 1.00 1.00 C ATOM 0 HA PRO A 11 -2.445 8.729 12.394 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.813 9.355 9.790 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.483 10.209 10.547 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.078 8.712 8.360 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.865 8.799 9.622 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.845 6.565 9.057 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.166 6.439 9.542 1.00 1.00 H new ATOM 154 N VAL A 12 -4.775 9.074 13.007 1.00 1.00 N ATOM 155 CA VAL A 12 -6.129 9.106 13.551 1.00 1.00 C ATOM 156 C VAL A 12 -7.123 9.643 12.522 1.00 1.00 C ATOM 157 O VAL A 12 -8.213 9.094 12.355 1.00 1.00 O ATOM 158 CB VAL A 12 -6.160 9.978 14.809 1.00 1.00 C ATOM 159 CG1 VAL A 12 -7.600 10.103 15.312 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.295 9.331 15.893 1.00 1.00 C ATOM 0 H VAL A 12 -4.122 9.715 13.457 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.420 8.087 13.805 1.00 1.00 H new ATOM 0 HB VAL A 12 -5.773 10.970 14.575 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.620 10.724 16.208 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.217 10.561 14.539 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -7.990 9.113 15.548 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.314 9.949 16.791 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -5.685 8.340 16.126 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.269 9.243 15.535 1.00 1.00 H new ATOM 170 N GLY A 13 -6.745 10.722 11.846 1.00 1.00 N ATOM 171 CA GLY A 13 -7.615 11.332 10.844 1.00 1.00 C ATOM 172 C GLY A 13 -7.834 10.398 9.661 1.00 1.00 C ATOM 173 O GLY A 13 -8.865 10.459 8.990 1.00 1.00 O ATOM 0 H GLY A 13 -5.848 11.191 11.971 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.575 11.582 11.296 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.174 12.266 10.496 1.00 1.00 H new ATOM 177 N ALA A 14 -6.854 9.543 9.406 1.00 1.00 N ATOM 178 CA ALA A 14 -6.944 8.607 8.294 1.00 1.00 C ATOM 179 C ALA A 14 -8.093 7.629 8.497 1.00 1.00 C ATOM 180 O ALA A 14 -8.428 7.270 9.627 1.00 1.00 O ATOM 181 CB ALA A 14 -5.639 7.820 8.158 1.00 1.00 C ATOM 0 H ALA A 14 -5.993 9.478 9.949 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.124 9.184 7.387 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.719 7.124 7.323 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.815 8.510 7.977 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.452 7.265 9.077 1.00 1.00 H new ATOM 187 N GLN A 15 -8.679 7.190 7.385 1.00 1.00 N ATOM 188 CA GLN A 15 -9.791 6.229 7.412 1.00 1.00 C ATOM 189 C GLN A 15 -9.379 4.952 6.685 1.00 1.00 C ATOM 190 O GLN A 15 -9.727 4.768 5.520 1.00 1.00 O ATOM 191 CB GLN A 15 -11.010 6.824 6.692 1.00 1.00 C ATOM 192 CG GLN A 15 -11.383 8.193 7.288 1.00 1.00 C ATOM 193 CD GLN A 15 -12.277 8.013 8.512 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.366 6.839 9.072 1.00 1.00 O flip ATOM 195 NE2 GLN A 15 -12.916 8.965 8.963 1.00 1.00 N flip ATOM 0 H GLN A 15 -8.404 7.483 6.448 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.042 6.009 8.450 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.793 6.932 5.629 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.856 6.143 6.777 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.479 8.734 7.566 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.897 8.795 6.539 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -12.844 9.882 8.522 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.517 8.836 9.777 1.00 1.00 H new ATOM 204 N PRO A 16 -8.643 4.077 7.330 1.00 1.00 N ATOM 205 CA PRO A 16 -8.168 2.813 6.689 1.00 1.00 C ATOM 206 C PRO A 16 -9.297 2.034 6.024 1.00 1.00 C ATOM 207 O PRO A 16 -10.036 1.298 6.679 1.00 1.00 O ATOM 208 CB PRO A 16 -7.543 2.027 7.852 1.00 1.00 C ATOM 209 CG PRO A 16 -7.111 3.081 8.814 1.00 1.00 C ATOM 210 CD PRO A 16 -8.176 4.178 8.725 1.00 1.00 C ATOM 0 HA PRO A 16 -7.464 3.004 5.879 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.263 1.345 8.305 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.700 1.423 7.517 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -7.041 2.683 9.826 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -6.126 3.469 8.555 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -8.986 4.012 9.435 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.760 5.162 8.941 1.00 1.00 H new ATOM 218 N LEU A 17 -9.414 2.205 4.713 1.00 1.00 N ATOM 219 CA LEU A 17 -10.444 1.515 3.946 1.00 1.00 C ATOM 220 C LEU A 17 -10.190 0.019 3.963 1.00 1.00 C ATOM 221 O LEU A 17 -11.112 -0.789 4.084 1.00 1.00 O ATOM 222 CB LEU A 17 -10.429 1.987 2.489 1.00 1.00 C ATOM 223 CG LEU A 17 -10.745 3.480 2.409 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.674 3.924 0.944 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.152 3.762 2.968 1.00 1.00 C ATOM 0 H LEU A 17 -8.811 2.814 4.160 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.410 1.738 4.399 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.452 1.791 2.047 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.160 1.423 1.910 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.019 4.034 3.003 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.898 4.989 0.875 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.673 3.738 0.556 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.401 3.362 0.358 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.362 4.830 2.904 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.892 3.211 2.387 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.200 3.445 4.010 1.00 1.00 H new ATOM 237 N ALA A 18 -8.918 -0.333 3.822 1.00 1.00 N ATOM 238 CA ALA A 18 -8.506 -1.734 3.798 1.00 1.00 C ATOM 239 C ALA A 18 -7.103 -1.873 4.369 1.00 1.00 C ATOM 240 O ALA A 18 -6.262 -0.995 4.188 1.00 1.00 O ATOM 241 CB ALA A 18 -8.520 -2.254 2.357 1.00 1.00 C ATOM 0 H ALA A 18 -8.152 0.333 3.722 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.201 -2.316 4.403 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.212 -3.299 2.344 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.527 -2.168 1.949 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.831 -1.665 1.751 1.00 1.00 H new ATOM 247 N THR A 19 -6.851 -2.984 5.057 1.00 1.00 N ATOM 248 CA THR A 19 -5.536 -3.230 5.651 1.00 1.00 C ATOM 249 C THR A 19 -5.094 -4.662 5.389 1.00 1.00 C ATOM 250 O THR A 19 -5.851 -5.605 5.615 1.00 1.00 O ATOM 251 CB THR A 19 -5.586 -2.957 7.157 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.419 -3.483 7.771 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.828 -3.611 7.765 1.00 1.00 C ATOM 0 H THR A 19 -7.534 -3.725 5.217 1.00 1.00 H new ATOM 0 HA THR A 19 -4.811 -2.557 5.192 1.00 1.00 H new ATOM 0 HB THR A 19 -5.633 -1.881 7.326 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.449 -3.308 8.735 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.856 -3.412 8.836 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.722 -3.200 7.296 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.792 -4.687 7.596 1.00 1.00 H new ATOM 261 N VAL A 20 -3.863 -4.826 4.895 1.00 1.00 N ATOM 262 CA VAL A 20 -3.343 -6.159 4.593 1.00 1.00 C ATOM 263 C VAL A 20 -1.884 -6.276 5.002 1.00 1.00 C ATOM 264 O VAL A 20 -1.178 -5.275 5.116 1.00 1.00 O ATOM 265 CB VAL A 20 -3.476 -6.425 3.088 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.958 -6.470 2.700 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.784 -5.301 2.307 1.00 1.00 C ATOM 0 H VAL A 20 -3.217 -4.062 4.698 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.919 -6.894 5.155 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.009 -7.380 2.850 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.048 -6.659 1.630 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.455 -7.267 3.253 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.426 -5.516 2.941 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.878 -5.490 1.238 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.253 -4.347 2.550 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.729 -5.266 2.578 1.00 1.00 H new ATOM 277 N GLU A 21 -1.431 -7.514 5.193 1.00 1.00 N ATOM 278 CA GLU A 21 -0.041 -7.774 5.562 1.00 1.00 C ATOM 279 C GLU A 21 0.725 -8.273 4.345 1.00 1.00 C ATOM 280 O GLU A 21 0.347 -9.263 3.719 1.00 1.00 O ATOM 281 CB GLU A 21 0.027 -8.812 6.690 1.00 1.00 C ATOM 282 CG GLU A 21 -0.897 -9.994 6.380 1.00 1.00 C ATOM 283 CD GLU A 21 -0.874 -10.991 7.535 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.191 -11.198 8.094 1.00 1.00 O ATOM 285 OE2 GLU A 21 -1.924 -11.530 7.846 1.00 1.00 O ATOM 0 H GLU A 21 -2.006 -8.351 5.098 1.00 1.00 H new ATOM 0 HA GLU A 21 0.411 -6.848 5.917 1.00 1.00 H new ATOM 0 HB2 GLU A 21 1.052 -9.164 6.809 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.263 -8.352 7.635 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -1.914 -9.638 6.216 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -0.579 -10.484 5.460 1.00 1.00 H new ATOM 292 N GLY A 22 1.801 -7.573 4.004 1.00 1.00 N ATOM 293 CA GLY A 22 2.615 -7.944 2.850 1.00 1.00 C ATOM 294 C GLY A 22 4.085 -7.988 3.226 1.00 1.00 C ATOM 295 O GLY A 22 4.439 -8.036 4.402 1.00 1.00 O ATOM 0 H GLY A 22 2.130 -6.749 4.507 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.301 -8.918 2.474 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.461 -7.227 2.044 1.00 1.00 H new ATOM 299 N MET A 23 4.942 -7.981 2.212 1.00 1.00 N ATOM 300 CA MET A 23 6.386 -8.023 2.426 1.00 1.00 C ATOM 301 C MET A 23 7.094 -7.077 1.462 1.00 1.00 C ATOM 302 O MET A 23 6.912 -7.158 0.247 1.00 1.00 O ATOM 303 CB MET A 23 6.890 -9.452 2.220 1.00 1.00 C ATOM 304 CG MET A 23 6.314 -10.352 3.312 1.00 1.00 C ATOM 305 SD MET A 23 6.835 -12.058 3.039 1.00 1.00 S ATOM 306 CE MET A 23 5.744 -12.800 4.275 1.00 1.00 C ATOM 0 H MET A 23 4.663 -7.947 1.232 1.00 1.00 H new ATOM 0 HA MET A 23 6.604 -7.705 3.445 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.592 -9.817 1.237 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.979 -9.474 2.251 1.00 1.00 H new ATOM 0 HG2 MET A 23 6.651 -10.012 4.291 1.00 1.00 H new ATOM 0 HG3 MET A 23 5.226 -10.290 3.310 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.892 -13.880 4.289 1.00 1.00 H new ATOM 0 HE2 MET A 23 5.975 -12.389 5.258 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.707 -12.579 4.024 1.00 1.00 H new ATOM 316 N GLU A 24 7.901 -6.179 2.017 1.00 1.00 N ATOM 317 CA GLU A 24 8.642 -5.211 1.212 1.00 1.00 C ATOM 318 C GLU A 24 9.993 -5.784 0.802 1.00 1.00 C ATOM 319 O GLU A 24 10.809 -6.143 1.649 1.00 1.00 O ATOM 320 CB GLU A 24 8.839 -3.926 2.020 1.00 1.00 C ATOM 321 CG GLU A 24 9.633 -2.908 1.198 1.00 1.00 C ATOM 322 CD GLU A 24 9.701 -1.582 1.947 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.361 -1.567 3.117 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.098 -0.601 1.340 1.00 1.00 O ATOM 0 H GLU A 24 8.060 -6.100 3.022 1.00 1.00 H new ATOM 0 HA GLU A 24 8.075 -4.989 0.308 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.871 -3.508 2.295 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.366 -4.147 2.948 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.639 -3.283 1.011 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.161 -2.764 0.226 1.00 1.00 H new ATOM 331 N MET A 25 10.223 -5.872 -0.509 1.00 1.00 N ATOM 332 CA MET A 25 11.483 -6.409 -1.031 1.00 1.00 C ATOM 333 C MET A 25 12.352 -5.291 -1.596 1.00 1.00 C ATOM 334 O MET A 25 11.864 -4.416 -2.310 1.00 1.00 O ATOM 335 CB MET A 25 11.201 -7.421 -2.149 1.00 1.00 C ATOM 336 CG MET A 25 10.452 -8.624 -1.585 1.00 1.00 C ATOM 337 SD MET A 25 10.213 -9.854 -2.895 1.00 1.00 S ATOM 338 CE MET A 25 8.972 -8.954 -3.863 1.00 1.00 C ATOM 0 H MET A 25 9.558 -5.581 -1.226 1.00 1.00 H new ATOM 0 HA MET A 25 12.007 -6.896 -0.209 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.611 -6.951 -2.936 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.138 -7.745 -2.603 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.013 -9.061 -0.759 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.488 -8.311 -1.185 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.396 -9.659 -4.462 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.303 -8.419 -3.189 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.470 -8.242 -4.521 1.00 1.00 H new ATOM 348 N LYS A 26 13.649 -5.335 -1.293 1.00 1.00 N ATOM 349 CA LYS A 26 14.588 -4.331 -1.802 1.00 1.00 C ATOM 350 C LYS A 26 15.825 -5.021 -2.362 1.00 1.00 C ATOM 351 O LYS A 26 16.230 -6.077 -1.878 1.00 1.00 O ATOM 352 CB LYS A 26 15.007 -3.354 -0.701 1.00 1.00 C ATOM 353 CG LYS A 26 13.794 -2.551 -0.236 1.00 1.00 C ATOM 354 CD LYS A 26 14.229 -1.554 0.840 1.00 1.00 C ATOM 355 CE LYS A 26 13.016 -0.751 1.312 1.00 1.00 C ATOM 356 NZ LYS A 26 13.443 0.214 2.364 1.00 1.00 N ATOM 0 H LYS A 26 14.073 -6.050 -0.702 1.00 1.00 H new ATOM 0 HA LYS A 26 14.086 -3.768 -2.589 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.437 -3.900 0.139 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.780 -2.681 -1.073 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.349 -2.022 -1.079 1.00 1.00 H new ATOM 0 HG3 LYS A 26 13.030 -3.221 0.160 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.678 -2.083 1.681 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.990 -0.883 0.443 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.570 -0.218 0.473 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.252 -1.422 1.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.620 0.762 2.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.850 -0.306 3.167 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.157 0.861 1.973 1.00 1.00 H new ATOM 370 N GLY A 27 16.408 -4.415 -3.388 1.00 1.00 N ATOM 371 CA GLY A 27 17.599 -4.964 -4.031 1.00 1.00 C ATOM 372 C GLY A 27 18.528 -5.669 -3.039 1.00 1.00 C ATOM 373 O GLY A 27 18.741 -6.878 -3.134 1.00 1.00 O ATOM 0 H GLY A 27 16.076 -3.541 -3.795 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.298 -5.669 -4.806 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.144 -4.160 -4.526 1.00 1.00 H new ATOM 377 N PRO A 28 19.102 -4.940 -2.113 1.00 1.00 N ATOM 378 CA PRO A 28 20.058 -5.511 -1.104 1.00 1.00 C ATOM 379 C PRO A 28 19.433 -6.575 -0.183 1.00 1.00 C ATOM 380 O PRO A 28 20.115 -7.513 0.232 1.00 1.00 O ATOM 381 CB PRO A 28 20.534 -4.274 -0.315 1.00 1.00 C ATOM 382 CG PRO A 28 19.469 -3.243 -0.522 1.00 1.00 C ATOM 383 CD PRO A 28 18.910 -3.490 -1.920 1.00 1.00 C ATOM 0 HA PRO A 28 20.869 -6.054 -1.589 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.658 -4.505 0.743 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.499 -3.922 -0.679 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.687 -3.333 0.232 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.879 -2.236 -0.438 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.858 -3.211 -1.987 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.442 -2.910 -2.674 1.00 1.00 H new ATOM 391 N LEU A 29 18.145 -6.439 0.124 1.00 1.00 N ATOM 392 CA LEU A 29 17.465 -7.415 0.984 1.00 1.00 C ATOM 393 C LEU A 29 15.976 -7.093 1.074 1.00 1.00 C ATOM 394 O LEU A 29 15.501 -6.169 0.424 1.00 1.00 O ATOM 395 CB LEU A 29 18.080 -7.435 2.400 1.00 1.00 C ATOM 396 CG LEU A 29 18.459 -6.018 2.858 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.232 -5.103 2.813 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.984 -6.081 4.298 1.00 1.00 C ATOM 0 H LEU A 29 17.554 -5.674 -0.203 1.00 1.00 H new ATOM 0 HA LEU A 29 17.595 -8.401 0.538 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.369 -7.870 3.103 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.965 -8.072 2.407 1.00 1.00 H new ATOM 0 HG LEU A 29 19.226 -5.620 2.193 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.513 -4.102 3.140 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.849 -5.058 1.794 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.460 -5.497 3.474 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.255 -5.079 4.631 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.209 -6.483 4.951 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.862 -6.726 4.337 1.00 1.00 H new ATOM 410 N ARG A 30 15.241 -7.858 1.889 1.00 1.00 N ATOM 411 CA ARG A 30 13.808 -7.632 2.064 1.00 1.00 C ATOM 412 C ARG A 30 13.472 -7.452 3.534 1.00 1.00 C ATOM 413 O ARG A 30 14.313 -7.657 4.409 1.00 1.00 O ATOM 414 CB ARG A 30 12.993 -8.790 1.501 1.00 1.00 C ATOM 415 CG ARG A 30 13.430 -10.125 2.137 1.00 1.00 C ATOM 416 CD ARG A 30 12.268 -11.116 2.100 1.00 1.00 C ATOM 417 NE ARG A 30 11.359 -10.868 3.214 1.00 1.00 N ATOM 418 CZ ARG A 30 10.149 -11.422 3.258 1.00 1.00 C ATOM 419 NH1 ARG A 30 9.707 -12.116 2.245 1.00 1.00 N ATOM 420 NH2 ARG A 30 9.396 -11.247 4.310 1.00 1.00 N ATOM 0 H ARG A 30 15.616 -8.635 2.434 1.00 1.00 H new ATOM 0 HA ARG A 30 13.552 -6.724 1.518 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.933 -8.621 1.691 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.120 -8.838 0.419 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.286 -10.533 1.599 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.749 -9.962 3.166 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.731 -11.023 1.156 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.649 -12.136 2.152 1.00 1.00 H new ATOM 0 HE ARG A 30 11.657 -10.257 3.975 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.289 -12.236 1.416 1.00 1.00 H new ATOM 0 HH12 ARG A 30 8.780 -12.539 2.282 1.00 1.00 H new ATOM 0 HH21 ARG A 30 9.735 -10.688 5.093 1.00 1.00 H new ATOM 0 HH22 ARG A 30 8.468 -11.669 4.349 1.00 1.00 H new ATOM 434 N GLU A 31 12.235 -7.061 3.795 1.00 1.00 N ATOM 435 CA GLU A 31 11.783 -6.843 5.166 1.00 1.00 C ATOM 436 C GLU A 31 10.253 -6.943 5.242 1.00 1.00 C ATOM 437 O GLU A 31 9.568 -6.280 4.463 1.00 1.00 O ATOM 438 CB GLU A 31 12.221 -5.450 5.632 1.00 1.00 C ATOM 439 CG GLU A 31 11.637 -4.381 4.699 1.00 1.00 C ATOM 440 CD GLU A 31 12.389 -3.064 4.872 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.492 -2.608 5.999 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.848 -2.532 3.875 1.00 1.00 O ATOM 0 H GLU A 31 11.527 -6.888 3.082 1.00 1.00 H new ATOM 0 HA GLU A 31 12.224 -7.605 5.809 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.885 -5.276 6.654 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.309 -5.384 5.639 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.706 -4.714 3.664 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.579 -4.236 4.917 1.00 1.00 H new ATOM 449 N PRO A 32 9.680 -7.721 6.142 1.00 1.00 N ATOM 450 CA PRO A 32 8.193 -7.811 6.231 1.00 1.00 C ATOM 451 C PRO A 32 7.557 -6.431 6.391 1.00 1.00 C ATOM 452 O PRO A 32 8.144 -5.533 6.995 1.00 1.00 O ATOM 453 CB PRO A 32 7.934 -8.694 7.465 1.00 1.00 C ATOM 454 CG PRO A 32 9.197 -9.466 7.672 1.00 1.00 C ATOM 455 CD PRO A 32 10.338 -8.589 7.142 1.00 1.00 C ATOM 0 HA PRO A 32 7.752 -8.228 5.325 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.696 -8.088 8.339 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.088 -9.361 7.300 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.343 -9.695 8.728 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.161 -10.417 7.141 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.797 -8.004 7.939 1.00 1.00 H new ATOM 0 HD3 PRO A 32 11.128 -9.190 6.692 1.00 1.00 H new ATOM 463 N CYS A 33 6.364 -6.266 5.828 1.00 1.00 N ATOM 464 CA CYS A 33 5.664 -4.983 5.898 1.00 1.00 C ATOM 465 C CYS A 33 4.155 -5.183 5.760 1.00 1.00 C ATOM 466 O CYS A 33 3.669 -6.310 5.743 1.00 1.00 O ATOM 467 CB CYS A 33 6.168 -4.062 4.781 1.00 1.00 C ATOM 468 SG CYS A 33 5.580 -4.687 3.188 1.00 1.00 S ATOM 0 H CYS A 33 5.863 -6.996 5.322 1.00 1.00 H new ATOM 0 HA CYS A 33 5.865 -4.528 6.868 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.809 -3.045 4.942 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.257 -4.021 4.790 1.00 1.00 H new ATOM 0 HG CYS A 33 5.024 -3.720 2.521 1.00 1.00 H new ATOM 474 N ALA A 34 3.418 -4.081 5.663 1.00 1.00 N ATOM 475 CA ALA A 34 1.964 -4.146 5.523 1.00 1.00 C ATOM 476 C ALA A 34 1.459 -2.949 4.732 1.00 1.00 C ATOM 477 O ALA A 34 1.924 -1.823 4.920 1.00 1.00 O ATOM 478 CB ALA A 34 1.300 -4.174 6.901 1.00 1.00 C ATOM 0 H ALA A 34 3.800 -3.135 5.678 1.00 1.00 H new ATOM 0 HA ALA A 34 1.707 -5.060 4.987 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.218 -4.222 6.782 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.644 -5.049 7.453 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.565 -3.271 7.451 1.00 1.00 H new ATOM 484 N LEU A 35 0.505 -3.202 3.839 1.00 1.00 N ATOM 485 CA LEU A 35 -0.066 -2.143 3.006 1.00 1.00 C ATOM 486 C LEU A 35 -1.470 -1.802 3.485 1.00 1.00 C ATOM 487 O LEU A 35 -2.330 -2.679 3.585 1.00 1.00 O ATOM 488 CB LEU A 35 -0.124 -2.610 1.550 1.00 1.00 C ATOM 489 CG LEU A 35 1.253 -3.125 1.113 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.168 -3.659 -0.322 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.283 -1.985 1.178 1.00 1.00 C ATOM 0 H LEU A 35 0.111 -4.128 3.673 1.00 1.00 H new ATOM 0 HA LEU A 35 0.563 -1.256 3.081 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.868 -3.399 1.441 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.435 -1.787 0.907 1.00 1.00 H new ATOM 0 HG LEU A 35 1.565 -3.927 1.782 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.147 -4.025 -0.633 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.445 -4.474 -0.365 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.851 -2.858 -0.990 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.259 -2.358 0.866 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.974 -1.177 0.514 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.347 -1.610 2.200 1.00 1.00 H new ATOM 503 N THR A 36 -1.702 -0.523 3.789 1.00 1.00 N ATOM 504 CA THR A 36 -3.014 -0.081 4.268 1.00 1.00 C ATOM 505 C THR A 36 -3.508 1.137 3.501 1.00 1.00 C ATOM 506 O THR A 36 -2.860 2.183 3.483 1.00 1.00 O ATOM 507 CB THR A 36 -2.934 0.251 5.759 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.550 -0.912 6.481 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.298 0.733 6.251 1.00 1.00 C ATOM 0 H THR A 36 -1.006 0.219 3.713 1.00 1.00 H new ATOM 0 HA THR A 36 -3.722 -0.894 4.105 1.00 1.00 H new ATOM 0 HB THR A 36 -2.196 1.038 5.917 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.496 -0.701 7.437 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.239 0.969 7.314 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.590 1.625 5.697 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.039 -0.051 6.094 1.00 1.00 H new ATOM 517 N LEU A 37 -4.683 0.994 2.892 1.00 1.00 N ATOM 518 CA LEU A 37 -5.301 2.081 2.138 1.00 1.00 C ATOM 519 C LEU A 37 -6.252 2.847 3.048 1.00 1.00 C ATOM 520 O LEU A 37 -7.062 2.246 3.754 1.00 1.00 O ATOM 521 CB LEU A 37 -6.065 1.508 0.938 1.00 1.00 C ATOM 522 CG LEU A 37 -6.764 2.629 0.151 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.738 3.662 -0.331 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.513 2.018 -1.050 1.00 1.00 C ATOM 0 H LEU A 37 -5.228 0.132 2.907 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.530 2.759 1.773 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.376 0.973 0.284 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.804 0.784 1.283 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.478 3.135 0.802 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.248 4.449 -0.886 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.228 4.096 0.529 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.008 3.175 -0.978 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.010 2.810 -1.610 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.803 1.505 -1.699 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.256 1.306 -0.691 1.00 1.00 H new ATOM 536 N ALA A 38 -6.142 4.174 3.050 1.00 1.00 N ATOM 537 CA ALA A 38 -6.991 4.998 3.905 1.00 1.00 C ATOM 538 C ALA A 38 -7.399 6.289 3.200 1.00 1.00 C ATOM 539 O ALA A 38 -6.654 6.829 2.386 1.00 1.00 O ATOM 540 CB ALA A 38 -6.235 5.328 5.201 1.00 1.00 C ATOM 0 H ALA A 38 -5.481 4.696 2.475 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.899 4.440 4.135 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.865 5.943 5.843 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.982 4.404 5.720 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.321 5.872 4.961 1.00 1.00 H new ATOM 546 N GLN A 39 -8.594 6.776 3.531 1.00 1.00 N ATOM 547 CA GLN A 39 -9.117 8.010 2.945 1.00 1.00 C ATOM 548 C GLN A 39 -9.040 9.141 3.970 1.00 1.00 C ATOM 549 O GLN A 39 -9.590 9.023 5.065 1.00 1.00 O ATOM 550 CB GLN A 39 -10.577 7.794 2.534 1.00 1.00 C ATOM 551 CG GLN A 39 -11.121 9.041 1.829 1.00 1.00 C ATOM 552 CD GLN A 39 -12.603 8.853 1.530 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.964 8.189 0.560 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.491 9.389 2.325 1.00 1.00 N ATOM 0 H GLN A 39 -9.220 6.334 4.204 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.523 8.276 2.070 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.652 6.932 1.871 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.181 7.573 3.414 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.975 9.919 2.458 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.572 9.217 0.904 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.189 9.939 3.129 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.486 9.257 2.141 1.00 1.00 H new ATOM 563 N ARG A 40 -8.363 10.239 3.620 1.00 1.00 N ATOM 564 CA ARG A 40 -8.238 11.377 4.537 1.00 1.00 C ATOM 565 C ARG A 40 -8.515 12.694 3.810 1.00 1.00 C ATOM 566 O ARG A 40 -7.967 12.955 2.740 1.00 1.00 O ATOM 567 CB ARG A 40 -6.832 11.399 5.152 1.00 1.00 C ATOM 568 CG ARG A 40 -6.808 12.362 6.344 1.00 1.00 C ATOM 569 CD ARG A 40 -5.452 12.279 7.055 1.00 1.00 C ATOM 570 NE ARG A 40 -4.384 12.767 6.187 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.105 12.709 6.561 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.775 12.172 7.706 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.178 13.183 5.776 1.00 1.00 N ATOM 0 H ARG A 40 -7.899 10.364 2.721 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.976 11.264 5.331 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.550 10.397 5.475 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.102 11.711 4.405 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.988 13.381 6.003 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.609 12.113 7.040 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.480 12.868 7.972 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.250 11.248 7.344 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.621 13.160 5.276 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.497 11.794 8.319 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.795 12.131 7.986 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.432 13.597 4.879 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.199 13.140 6.059 1.00 1.00 H new ATOM 587 N ASN A 41 -9.373 13.516 4.414 1.00 1.00 N ATOM 588 CA ASN A 41 -9.744 14.815 3.847 1.00 1.00 C ATOM 589 C ASN A 41 -10.434 14.667 2.492 1.00 1.00 C ATOM 590 O ASN A 41 -10.293 15.526 1.620 1.00 1.00 O ATOM 591 CB ASN A 41 -8.501 15.696 3.692 1.00 1.00 C ATOM 592 CG ASN A 41 -7.737 15.751 5.010 1.00 1.00 C ATOM 593 OD1 ASN A 41 -6.507 15.794 5.014 1.00 1.00 O ATOM 594 ND2 ASN A 41 -8.397 15.753 6.136 1.00 1.00 N ATOM 0 H ASN A 41 -9.828 13.304 5.302 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.447 15.283 4.536 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.859 15.299 2.906 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.793 16.701 3.388 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.893 15.790 7.022 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -9.416 15.717 6.130 1.00 1.00 H new ATOM 601 N GLY A 42 -11.196 13.587 2.321 1.00 1.00 N ATOM 602 CA GLY A 42 -11.914 13.364 1.068 1.00 1.00 C ATOM 603 C GLY A 42 -10.954 12.974 -0.045 1.00 1.00 C ATOM 604 O GLY A 42 -11.283 13.064 -1.229 1.00 1.00 O ATOM 0 H GLY A 42 -11.331 12.861 3.025 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.657 12.578 1.205 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.454 14.268 0.788 1.00 1.00 H new ATOM 608 N GLN A 43 -9.760 12.546 0.348 1.00 1.00 N ATOM 609 CA GLN A 43 -8.726 12.144 -0.597 1.00 1.00 C ATOM 610 C GLN A 43 -8.248 10.738 -0.267 1.00 1.00 C ATOM 611 O GLN A 43 -8.398 10.272 0.859 1.00 1.00 O ATOM 612 CB GLN A 43 -7.561 13.145 -0.510 1.00 1.00 C ATOM 613 CG GLN A 43 -6.348 12.628 -1.280 1.00 1.00 C ATOM 614 CD GLN A 43 -6.741 12.327 -2.718 1.00 1.00 C ATOM 615 OE1 GLN A 43 -6.218 11.299 -3.327 1.00 1.00 O flip ATOM 616 NE2 GLN A 43 -7.551 13.046 -3.302 1.00 1.00 N flip ATOM 0 H GLN A 43 -9.482 12.468 1.326 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.124 12.141 -1.612 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.871 14.108 -0.915 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.293 13.309 0.534 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.549 13.370 -1.259 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.960 11.728 -0.803 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -7.958 13.849 -2.823 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -7.815 12.839 -4.265 1.00 1.00 H new ATOM 625 N TYR A 44 -7.666 10.067 -1.256 1.00 1.00 N ATOM 626 CA TYR A 44 -7.153 8.707 -1.064 1.00 1.00 C ATOM 627 C TYR A 44 -5.645 8.744 -0.846 1.00 1.00 C ATOM 628 O TYR A 44 -4.925 9.452 -1.549 1.00 1.00 O ATOM 629 CB TYR A 44 -7.463 7.843 -2.292 1.00 1.00 C ATOM 630 CG TYR A 44 -8.952 7.639 -2.410 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.562 6.548 -1.776 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.722 8.535 -3.158 1.00 1.00 C ATOM 633 CE1 TYR A 44 -10.944 6.357 -1.891 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.105 8.344 -3.274 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.716 7.255 -2.640 1.00 1.00 C ATOM 636 OH TYR A 44 -13.077 7.066 -2.754 1.00 1.00 O ATOM 0 H TYR A 44 -7.536 10.438 -2.197 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.638 8.276 -0.188 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.080 8.324 -3.192 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.960 6.880 -2.207 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -8.967 5.856 -1.199 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.250 9.375 -3.647 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.415 5.517 -1.402 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.700 9.036 -3.852 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.461 7.779 -3.306 1.00 1.00 H new ATOM 646 N GLU A 45 -5.170 7.977 0.132 1.00 1.00 N ATOM 647 CA GLU A 45 -3.737 7.926 0.430 1.00 1.00 C ATOM 648 C GLU A 45 -3.338 6.523 0.875 1.00 1.00 C ATOM 649 O GLU A 45 -4.082 5.850 1.589 1.00 1.00 O ATOM 650 CB GLU A 45 -3.380 8.959 1.510 1.00 1.00 C ATOM 651 CG GLU A 45 -4.047 8.600 2.842 1.00 1.00 C ATOM 652 CD GLU A 45 -3.700 9.651 3.891 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.681 10.821 3.547 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.452 9.270 5.023 1.00 1.00 O ATOM 0 H GLU A 45 -5.749 7.386 0.729 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.182 8.170 -0.476 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.298 9.000 1.638 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.701 9.951 1.192 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.128 8.543 2.715 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.713 7.617 3.174 1.00 1.00 H new ATOM 661 N LEU A 46 -2.158 6.083 0.436 1.00 1.00 N ATOM 662 CA LEU A 46 -1.653 4.749 0.776 1.00 1.00 C ATOM 663 C LEU A 46 -0.566 4.842 1.840 1.00 1.00 C ATOM 664 O LEU A 46 0.432 5.539 1.661 1.00 1.00 O ATOM 665 CB LEU A 46 -1.082 4.088 -0.489 1.00 1.00 C ATOM 666 CG LEU A 46 -0.456 2.722 -0.159 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.482 1.816 0.525 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.017 2.067 -1.458 1.00 1.00 C ATOM 0 H LEU A 46 -1.533 6.630 -0.156 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.473 4.150 1.171 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.874 3.961 -1.227 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.331 4.738 -0.937 1.00 1.00 H new ATOM 0 HG LEU A 46 0.386 2.867 0.517 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.023 0.854 0.752 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.821 2.283 1.450 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.333 1.665 -0.139 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.463 1.098 -1.235 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.833 1.931 -2.127 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.758 2.705 -1.938 1.00 1.00 H new ATOM 680 N ILE A 47 -0.758 4.121 2.945 1.00 1.00 N ATOM 681 CA ILE A 47 0.222 4.115 4.033 1.00 1.00 C ATOM 682 C ILE A 47 0.965 2.787 4.055 1.00 1.00 C ATOM 683 O ILE A 47 0.348 1.723 4.099 1.00 1.00 O ATOM 684 CB ILE A 47 -0.468 4.317 5.386 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.217 5.651 5.391 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.590 4.316 6.498 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.112 5.728 6.629 1.00 1.00 C ATOM 0 H ILE A 47 -1.578 3.537 3.111 1.00 1.00 H new ATOM 0 HA ILE A 47 0.923 4.932 3.862 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.179 3.508 5.556 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.508 6.479 5.390 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.819 5.746 4.487 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.104 4.459 7.463 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.119 3.363 6.496 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.300 5.125 6.326 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.646 6.678 6.633 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.830 4.908 6.610 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.498 5.653 7.527 1.00 1.00 H new ATOM 699 N ILE A 48 2.294 2.852 4.038 1.00 1.00 N ATOM 700 CA ILE A 48 3.115 1.640 4.070 1.00 1.00 C ATOM 701 C ILE A 48 3.743 1.485 5.449 1.00 1.00 C ATOM 702 O ILE A 48 4.438 2.381 5.927 1.00 1.00 O ATOM 703 CB ILE A 48 4.215 1.724 3.012 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.582 1.906 1.631 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.031 0.431 3.030 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.663 2.295 0.622 1.00 1.00 C ATOM 0 H ILE A 48 2.824 3.723 4.003 1.00 1.00 H new ATOM 0 HA ILE A 48 2.484 0.777 3.859 1.00 1.00 H new ATOM 0 HB ILE A 48 4.865 2.572 3.227 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.093 0.983 1.319 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.812 2.677 1.671 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.817 0.486 2.277 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.480 0.298 4.014 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.378 -0.414 2.812 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.212 2.425 -0.362 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.131 3.229 0.933 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.417 1.509 0.575 1.00 1.00 H new ATOM 718 N GLN A 49 3.483 0.348 6.092 1.00 1.00 N ATOM 719 CA GLN A 49 4.020 0.084 7.429 1.00 1.00 C ATOM 720 C GLN A 49 5.089 -0.995 7.385 1.00 1.00 C ATOM 721 O GLN A 49 4.869 -2.076 6.849 1.00 1.00 O ATOM 722 CB GLN A 49 2.900 -0.366 8.362 1.00 1.00 C ATOM 723 CG GLN A 49 1.959 0.807 8.616 1.00 1.00 C ATOM 724 CD GLN A 49 0.915 0.415 9.650 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.969 0.951 10.835 1.00 1.00 O flip ATOM 726 NE2 GLN A 49 0.046 -0.412 9.378 1.00 1.00 N flip ATOM 0 H GLN A 49 2.907 -0.403 5.712 1.00 1.00 H new ATOM 0 HA GLN A 49 4.465 1.008 7.799 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.353 -1.198 7.918 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.316 -0.724 9.303 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.525 1.670 8.966 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.471 1.102 7.687 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.011 -0.827 8.447 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.639 -0.682 10.083 1.00 1.00 H new ATOM 735 N LEU A 50 6.246 -0.702 7.968 1.00 1.00 N ATOM 736 CA LEU A 50 7.348 -1.666 8.007 1.00 1.00 C ATOM 737 C LEU A 50 7.423 -2.300 9.394 1.00 1.00 C ATOM 738 O LEU A 50 7.491 -1.597 10.403 1.00 1.00 O ATOM 739 CB LEU A 50 8.676 -0.958 7.684 1.00 1.00 C ATOM 740 CG LEU A 50 8.874 -0.860 6.165 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.649 -0.209 5.521 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.115 -0.009 5.873 1.00 1.00 C ATOM 0 H LEU A 50 6.448 0.190 8.419 1.00 1.00 H new ATOM 0 HA LEU A 50 7.172 -2.444 7.264 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.680 0.040 8.123 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.506 -1.506 8.131 1.00 1.00 H new ATOM 0 HG LEU A 50 9.005 -1.860 5.753 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.797 -0.143 4.443 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.765 -0.811 5.730 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.511 0.792 5.931 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.261 0.064 4.795 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.978 0.989 6.289 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.990 -0.474 6.327 1.00 1.00 H new ATOM 754 N HIS A 51 7.413 -3.626 9.436 1.00 1.00 N ATOM 755 CA HIS A 51 7.484 -4.337 10.706 1.00 1.00 C ATOM 756 C HIS A 51 8.885 -4.211 11.304 1.00 1.00 C ATOM 757 O HIS A 51 9.429 -5.172 11.848 1.00 1.00 O ATOM 758 CB HIS A 51 7.146 -5.816 10.496 1.00 1.00 C ATOM 759 CG HIS A 51 5.713 -5.951 10.056 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.658 -5.488 10.825 1.00 1.00 N ATOM 761 CD2 HIS A 51 5.143 -6.503 8.934 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.520 -5.765 10.164 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.759 -6.384 9.004 1.00 1.00 N ATOM 0 H HIS A 51 7.357 -4.227 8.613 1.00 1.00 H new ATOM 0 HA HIS A 51 6.763 -3.896 11.394 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.809 -6.248 9.746 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.306 -6.371 11.421 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.731 -5.021 11.729 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.687 -6.960 8.121 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.533 -5.517 10.526 1.00 1.00 H new ATOM 771 N GLU A 52 9.462 -3.018 11.194 1.00 1.00 N ATOM 772 CA GLU A 52 10.797 -2.770 11.719 1.00 1.00 C ATOM 773 C GLU A 52 10.898 -3.259 13.159 1.00 1.00 C ATOM 774 O GLU A 52 9.938 -3.170 13.922 1.00 1.00 O ATOM 775 CB GLU A 52 11.095 -1.272 11.669 1.00 1.00 C ATOM 776 CG GLU A 52 12.578 -1.035 11.931 1.00 1.00 C ATOM 777 CD GLU A 52 13.402 -1.516 10.741 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.805 -1.873 9.738 1.00 1.00 O ATOM 779 OE2 GLU A 52 14.617 -1.517 10.849 1.00 1.00 O ATOM 0 H GLU A 52 9.026 -2.211 10.747 1.00 1.00 H new ATOM 0 HA GLU A 52 11.522 -3.310 11.110 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.819 -0.869 10.695 1.00 1.00 H new ATOM 0 HB3 GLU A 52 10.496 -0.747 12.413 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.760 0.026 12.105 1.00 1.00 H new ATOM 0 HG3 GLU A 52 12.885 -1.563 12.834 1.00 1.00 H new ATOM 786 N LYS A 53 12.061 -3.782 13.524 1.00 1.00 N ATOM 787 CA LYS A 53 12.260 -4.288 14.874 1.00 1.00 C ATOM 788 C LYS A 53 12.117 -3.155 15.889 1.00 1.00 C ATOM 789 O LYS A 53 11.540 -3.339 16.960 1.00 1.00 O ATOM 790 CB LYS A 53 13.647 -4.926 15.004 1.00 1.00 C ATOM 791 CG LYS A 53 13.806 -6.088 14.009 1.00 1.00 C ATOM 792 CD LYS A 53 12.797 -7.205 14.314 1.00 1.00 C ATOM 793 CE LYS A 53 13.270 -8.523 13.688 1.00 1.00 C ATOM 794 NZ LYS A 53 13.346 -8.370 12.208 1.00 1.00 N ATOM 0 H LYS A 53 12.872 -3.866 12.911 1.00 1.00 H new ATOM 0 HA LYS A 53 11.501 -5.044 15.075 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.416 -4.176 14.821 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.792 -5.289 16.021 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.658 -5.725 12.992 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.821 -6.483 14.062 1.00 1.00 H new ATOM 0 HD2 LYS A 53 12.688 -7.323 15.392 1.00 1.00 H new ATOM 0 HD3 LYS A 53 11.816 -6.938 13.921 1.00 1.00 H new ATOM 0 HE2 LYS A 53 14.247 -8.798 14.087 1.00 1.00 H new ATOM 0 HE3 LYS A 53 12.582 -9.328 13.946 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.466 -9.305 11.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 12.469 -7.933 11.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.156 -7.765 11.963 1.00 1.00 H new ATOM 808 N GLU A 54 12.646 -1.982 15.546 1.00 1.00 N ATOM 809 CA GLU A 54 12.563 -0.833 16.444 1.00 1.00 C ATOM 810 C GLU A 54 11.113 -0.405 16.625 1.00 1.00 C ATOM 811 O GLU A 54 10.482 -0.718 17.633 1.00 1.00 O ATOM 812 CB GLU A 54 13.370 0.341 15.883 1.00 1.00 C ATOM 813 CG GLU A 54 14.845 -0.038 15.839 1.00 1.00 C ATOM 814 CD GLU A 54 15.665 1.113 15.267 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.076 2.133 14.949 1.00 1.00 O ATOM 816 OE2 GLU A 54 16.869 0.958 15.154 1.00 1.00 O ATOM 0 H GLU A 54 13.130 -1.803 14.666 1.00 1.00 H new ATOM 0 HA GLU A 54 12.976 -1.126 17.410 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.018 0.595 14.883 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.228 1.225 16.505 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.196 -0.282 16.842 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.981 -0.930 15.228 1.00 1.00 H new ATOM 823 N GLN A 55 10.591 0.316 15.635 1.00 1.00 N ATOM 824 CA GLN A 55 9.204 0.792 15.684 1.00 1.00 C ATOM 825 C GLN A 55 8.597 0.832 14.285 1.00 1.00 C ATOM 826 O GLN A 55 9.295 1.082 13.301 1.00 1.00 O ATOM 827 CB GLN A 55 9.157 2.197 16.297 1.00 1.00 C ATOM 828 CG GLN A 55 7.701 2.656 16.442 1.00 1.00 C ATOM 829 CD GLN A 55 7.650 4.042 17.080 1.00 1.00 C ATOM 830 OE1 GLN A 55 8.513 4.388 17.888 1.00 1.00 O ATOM 831 NE2 GLN A 55 6.686 4.863 16.760 1.00 1.00 N ATOM 0 H GLN A 55 11.101 0.584 14.793 1.00 1.00 H new ATOM 0 HA GLN A 55 8.627 0.102 16.299 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.645 2.194 17.272 1.00 1.00 H new ATOM 0 HB3 GLN A 55 9.707 2.896 15.667 1.00 1.00 H new ATOM 0 HG2 GLN A 55 7.220 2.679 15.464 1.00 1.00 H new ATOM 0 HG3 GLN A 55 7.146 1.945 17.054 1.00 1.00 H new ATOM 0 HE21 GLN A 55 5.972 4.575 16.091 1.00 1.00 H new ATOM 0 HE22 GLN A 55 6.647 5.792 17.179 1.00 1.00 H new ATOM 840 N HIS A 56 7.290 0.598 14.204 1.00 1.00 N ATOM 841 CA HIS A 56 6.598 0.619 12.920 1.00 1.00 C ATOM 842 C HIS A 56 6.685 2.009 12.296 1.00 1.00 C ATOM 843 O HIS A 56 5.999 2.938 12.721 1.00 1.00 O ATOM 844 CB HIS A 56 5.127 0.230 13.113 1.00 1.00 C ATOM 845 CG HIS A 56 5.022 -1.244 13.400 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.101 -1.758 14.685 1.00 1.00 N ATOM 847 CD2 HIS A 56 4.841 -2.328 12.575 1.00 1.00 C ATOM 848 CE1 HIS A 56 4.967 -3.095 14.598 1.00 1.00 C ATOM 849 NE2 HIS A 56 4.806 -3.495 13.334 1.00 1.00 N ATOM 0 H HIS A 56 6.693 0.393 15.006 1.00 1.00 H new ATOM 0 HA HIS A 56 7.076 -0.099 12.253 1.00 1.00 H new ATOM 0 HB2 HIS A 56 4.695 0.801 13.935 1.00 1.00 H new ATOM 0 HB3 HIS A 56 4.556 0.477 12.218 1.00 1.00 H new ATOM 0 HD1 HIS A 56 5.236 -1.221 15.541 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.741 -2.282 11.501 1.00 1.00 H new ATOM 0 HE1 HIS A 56 4.987 -3.762 15.447 1.00 1.00 H new ATOM 857 N VAL A 57 7.537 2.147 11.284 1.00 1.00 N ATOM 858 CA VAL A 57 7.707 3.433 10.619 1.00 1.00 C ATOM 859 C VAL A 57 6.467 3.781 9.806 1.00 1.00 C ATOM 860 O VAL A 57 5.914 2.937 9.100 1.00 1.00 O ATOM 861 CB VAL A 57 8.922 3.397 9.697 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.244 4.811 9.215 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.121 2.827 10.456 1.00 1.00 C ATOM 0 H VAL A 57 8.114 1.393 10.911 1.00 1.00 H new ATOM 0 HA VAL A 57 7.858 4.194 11.385 1.00 1.00 H new ATOM 0 HB VAL A 57 8.704 2.765 8.836 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.112 4.782 8.557 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.389 5.213 8.671 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.460 5.447 10.073 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.989 2.801 9.798 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.338 3.457 11.319 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.891 1.816 10.793 1.00 1.00 H new ATOM 873 N GLN A 58 6.032 5.031 9.918 1.00 1.00 N ATOM 874 CA GLN A 58 4.847 5.499 9.198 1.00 1.00 C ATOM 875 C GLN A 58 5.245 6.258 7.936 1.00 1.00 C ATOM 876 O GLN A 58 5.733 7.385 8.004 1.00 1.00 O ATOM 877 CB GLN A 58 4.029 6.423 10.107 1.00 1.00 C ATOM 878 CG GLN A 58 2.735 6.845 9.403 1.00 1.00 C ATOM 879 CD GLN A 58 1.921 7.754 10.317 1.00 1.00 C ATOM 880 OE1 GLN A 58 0.752 7.359 10.738 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 2.369 8.848 10.664 1.00 1.00 N flip ATOM 0 H GLN A 58 6.480 5.740 10.499 1.00 1.00 H new ATOM 0 HA GLN A 58 4.251 4.632 8.912 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.794 5.912 11.041 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.616 7.305 10.365 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.969 7.364 8.474 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.151 5.964 9.138 1.00 1.00 H new ATOM 0 HE21 GLN A 58 3.284 9.153 10.332 1.00 1.00 H new ATOM 0 HE22 GLN A 58 1.825 9.449 11.283 1.00 1.00 H new ATOM 890 N ASP A 59 5.010 5.637 6.779 1.00 1.00 N ATOM 891 CA ASP A 59 5.322 6.258 5.491 1.00 1.00 C ATOM 892 C ASP A 59 4.032 6.704 4.812 1.00 1.00 C ATOM 893 O ASP A 59 3.211 5.873 4.422 1.00 1.00 O ATOM 894 CB ASP A 59 6.053 5.256 4.598 1.00 1.00 C ATOM 895 CG ASP A 59 7.474 5.034 5.109 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.923 5.829 5.918 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.091 4.072 4.683 1.00 1.00 O ATOM 0 H ASP A 59 4.604 4.704 6.708 1.00 1.00 H new ATOM 0 HA ASP A 59 5.962 7.125 5.656 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.512 4.310 4.582 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.081 5.624 3.572 1.00 1.00 H new ATOM 902 N ILE A 60 3.846 8.015 4.685 1.00 1.00 N ATOM 903 CA ILE A 60 2.634 8.548 4.062 1.00 1.00 C ATOM 904 C ILE A 60 2.867 8.780 2.573 1.00 1.00 C ATOM 905 O ILE A 60 3.599 9.689 2.180 1.00 1.00 O ATOM 906 CB ILE A 60 2.253 9.871 4.732 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.135 9.672 6.252 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.925 10.380 4.167 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.129 8.560 6.581 1.00 1.00 C ATOM 0 H ILE A 60 4.510 8.722 5.001 1.00 1.00 H new ATOM 0 HA ILE A 60 1.825 7.828 4.187 1.00 1.00 H new ATOM 0 HB ILE A 60 3.029 10.609 4.529 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.111 9.420 6.667 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.820 10.604 6.722 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.661 11.321 4.649 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.023 10.537 3.093 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.143 9.644 4.356 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.063 8.438 7.662 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.149 8.827 6.185 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.460 7.625 6.130 1.00 1.00 H new ATOM 921 N ILE A 61 2.238 7.942 1.746 1.00 1.00 N ATOM 922 CA ILE A 61 2.372 8.036 0.292 1.00 1.00 C ATOM 923 C ILE A 61 1.016 8.362 -0.341 1.00 1.00 C ATOM 924 O ILE A 61 0.242 7.456 -0.654 1.00 1.00 O ATOM 925 CB ILE A 61 2.864 6.697 -0.258 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.097 6.229 0.530 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.228 6.850 -1.733 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.191 7.311 0.537 1.00 1.00 C ATOM 0 H ILE A 61 1.628 7.188 2.061 1.00 1.00 H new ATOM 0 HA ILE A 61 3.084 8.826 0.052 1.00 1.00 H new ATOM 0 HB ILE A 61 2.071 5.956 -0.155 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.810 5.991 1.554 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.489 5.313 0.088 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.578 5.894 -2.122 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.349 7.170 -2.293 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.016 7.595 -1.838 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.052 6.954 1.101 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.493 7.529 -0.487 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.803 8.218 1.002 1.00 1.00 H new ATOM 940 N PRO A 62 0.703 9.621 -0.528 1.00 1.00 N ATOM 941 CA PRO A 62 -0.599 10.036 -1.135 1.00 1.00 C ATOM 942 C PRO A 62 -0.817 9.428 -2.517 1.00 1.00 C ATOM 943 O PRO A 62 0.121 9.278 -3.299 1.00 1.00 O ATOM 944 CB PRO A 62 -0.501 11.572 -1.211 1.00 1.00 C ATOM 945 CG PRO A 62 0.519 11.939 -0.185 1.00 1.00 C ATOM 946 CD PRO A 62 1.527 10.793 -0.178 1.00 1.00 C ATOM 0 HA PRO A 62 -1.449 9.692 -0.545 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.198 11.901 -2.205 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.462 12.041 -0.999 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.002 12.884 -0.433 1.00 1.00 H new ATOM 0 HG3 PRO A 62 0.061 12.064 0.796 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.326 10.955 -0.901 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.999 10.677 0.798 1.00 1.00 H new ATOM 954 N ILE A 63 -2.069 9.086 -2.806 1.00 1.00 N ATOM 955 CA ILE A 63 -2.426 8.493 -4.093 1.00 1.00 C ATOM 956 C ILE A 63 -2.747 9.577 -5.120 1.00 1.00 C ATOM 957 O ILE A 63 -3.635 10.405 -4.916 1.00 1.00 O ATOM 958 CB ILE A 63 -3.634 7.564 -3.902 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.204 6.349 -3.074 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.168 7.096 -5.256 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.435 5.570 -2.608 1.00 1.00 C ATOM 0 H ILE A 63 -2.854 9.209 -2.167 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.579 7.918 -4.467 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.424 8.108 -3.385 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.559 5.703 -3.669 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.622 6.674 -2.212 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.024 6.439 -5.102 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.476 7.960 -5.844 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.386 6.555 -5.788 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.119 4.708 -2.020 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.064 6.216 -1.996 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.000 5.230 -3.476 1.00 1.00 H new ATOM 973 N ASN A 64 -2.010 9.559 -6.227 1.00 1.00 N ATOM 974 CA ASN A 64 -2.208 10.535 -7.286 1.00 1.00 C ATOM 975 C ASN A 64 -1.322 10.196 -8.480 1.00 1.00 C ATOM 976 O ASN A 64 -0.860 9.064 -8.618 1.00 1.00 O ATOM 977 CB ASN A 64 -1.877 11.938 -6.774 1.00 1.00 C ATOM 978 CG ASN A 64 -0.425 11.992 -6.310 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.362 11.102 -6.628 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.025 12.986 -5.566 1.00 1.00 N ATOM 0 H ASN A 64 -1.272 8.879 -6.411 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.252 10.509 -7.599 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.043 12.671 -7.563 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.541 12.200 -5.950 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.943 13.027 -5.246 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.680 13.723 -5.304 1.00 1.00 H new ATOM 987 N SER A 65 -1.096 11.179 -9.342 1.00 1.00 N ATOM 988 CA SER A 65 -0.269 10.972 -10.524 1.00 1.00 C ATOM 989 C SER A 65 1.149 10.553 -10.140 1.00 1.00 C ATOM 990 O SER A 65 1.738 9.677 -10.773 1.00 1.00 O ATOM 991 CB SER A 65 -0.218 12.257 -11.352 1.00 1.00 C ATOM 992 OG SER A 65 0.838 12.165 -12.301 1.00 1.00 O ATOM 0 H SER A 65 -1.471 12.123 -9.246 1.00 1.00 H new ATOM 0 HA SER A 65 -0.715 10.171 -11.114 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.168 12.412 -11.863 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.063 13.117 -10.700 1.00 1.00 H new ATOM 0 HG SER A 65 0.872 12.987 -12.834 1.00 1.00 H new ATOM 998 N HIS A 66 1.701 11.194 -9.114 1.00 1.00 N ATOM 999 CA HIS A 66 3.061 10.885 -8.674 1.00 1.00 C ATOM 1000 C HIS A 66 3.153 9.456 -8.138 1.00 1.00 C ATOM 1001 O HIS A 66 4.174 8.788 -8.302 1.00 1.00 O ATOM 1002 CB HIS A 66 3.505 11.875 -7.593 1.00 1.00 C ATOM 1003 CG HIS A 66 3.642 13.252 -8.189 1.00 1.00 C ATOM 1004 ND1 HIS A 66 3.965 14.361 -7.420 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.498 13.721 -9.474 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.003 15.429 -8.239 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.725 15.094 -9.501 1.00 1.00 N ATOM 0 H HIS A 66 1.235 11.924 -8.575 1.00 1.00 H new ATOM 0 HA HIS A 66 3.723 10.973 -9.536 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.779 11.891 -6.781 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.456 11.558 -7.164 1.00 1.00 H new ATOM 0 HD2 HIS A 66 3.247 13.115 -10.332 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.231 16.434 -7.915 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.687 15.712 -10.312 1.00 1.00 H new ATOM 1015 N PHE A 67 2.076 8.994 -7.501 1.00 1.00 N ATOM 1016 CA PHE A 67 2.026 7.643 -6.942 1.00 1.00 C ATOM 1017 C PHE A 67 1.383 6.681 -7.936 1.00 1.00 C ATOM 1018 O PHE A 67 0.276 6.923 -8.421 1.00 1.00 O ATOM 1019 CB PHE A 67 1.218 7.656 -5.633 1.00 1.00 C ATOM 1020 CG PHE A 67 0.854 6.242 -5.227 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.763 5.451 -4.515 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.400 5.726 -5.570 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.414 4.145 -4.148 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.749 4.421 -5.203 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.158 3.631 -4.492 1.00 1.00 C ATOM 0 H PHE A 67 1.225 9.538 -7.359 1.00 1.00 H new ATOM 0 HA PHE A 67 3.043 7.307 -6.738 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.800 8.130 -4.843 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.313 8.249 -5.762 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.732 5.847 -4.249 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.101 6.336 -6.120 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.115 3.534 -3.599 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.718 4.025 -5.469 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.110 2.624 -4.208 1.00 1.00 H new ATOM 1035 N ARG A 68 2.072 5.580 -8.220 1.00 1.00 N ATOM 1036 CA ARG A 68 1.551 4.571 -9.141 1.00 1.00 C ATOM 1037 C ARG A 68 1.771 3.167 -8.589 1.00 1.00 C ATOM 1038 O ARG A 68 2.802 2.871 -7.984 1.00 1.00 O ATOM 1039 CB ARG A 68 2.222 4.698 -10.509 1.00 1.00 C ATOM 1040 CG ARG A 68 1.700 5.945 -11.223 1.00 1.00 C ATOM 1041 CD ARG A 68 2.337 6.034 -12.609 1.00 1.00 C ATOM 1042 NE ARG A 68 3.755 6.363 -12.499 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.531 6.465 -13.578 1.00 1.00 C ATOM 1044 NH1 ARG A 68 4.052 6.190 -14.763 1.00 1.00 N ATOM 1045 NH2 ARG A 68 5.777 6.831 -13.450 1.00 1.00 N ATOM 0 H ARG A 68 2.988 5.363 -7.829 1.00 1.00 H new ATOM 0 HA ARG A 68 0.480 4.739 -9.252 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.304 4.761 -10.390 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.018 3.811 -11.109 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.614 5.901 -11.311 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.937 6.837 -10.643 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.217 5.086 -13.133 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.826 6.792 -13.202 1.00 1.00 H new ATOM 0 HE ARG A 68 4.161 6.518 -11.576 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.081 5.896 -14.865 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.650 6.270 -15.586 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.155 7.038 -12.526 1.00 1.00 H new ATOM 0 HH22 ARG A 68 6.373 6.910 -14.274 1.00 1.00 H new ATOM 1059 N CYS A 69 0.785 2.302 -8.824 1.00 1.00 N ATOM 1060 CA CYS A 69 0.838 0.909 -8.376 1.00 1.00 C ATOM 1061 C CYS A 69 0.757 -0.010 -9.587 1.00 1.00 C ATOM 1062 O CYS A 69 -0.324 -0.241 -10.130 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.335 0.625 -7.428 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.545 -1.163 -7.221 1.00 1.00 S ATOM 0 H CYS A 69 -0.069 2.544 -9.327 1.00 1.00 H new ATOM 0 HA CYS A 69 1.774 0.731 -7.846 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.153 1.093 -6.460 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.250 1.063 -7.827 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.539 -1.393 -6.415 1.00 1.00 H new ATOM 1070 N VAL A 70 1.904 -0.534 -10.017 1.00 1.00 N ATOM 1071 CA VAL A 70 1.937 -1.421 -11.186 1.00 1.00 C ATOM 1072 C VAL A 70 2.049 -2.874 -10.751 1.00 1.00 C ATOM 1073 O VAL A 70 2.974 -3.250 -10.038 1.00 1.00 O ATOM 1074 CB VAL A 70 3.127 -1.057 -12.083 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.096 0.444 -12.383 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.445 -1.416 -11.380 1.00 1.00 C ATOM 0 H VAL A 70 2.812 -0.365 -9.583 1.00 1.00 H new ATOM 0 HA VAL A 70 1.010 -1.293 -11.744 1.00 1.00 H new ATOM 0 HB VAL A 70 3.059 -1.618 -13.015 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.941 0.705 -13.020 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.166 0.694 -12.893 1.00 1.00 H new ATOM 0 HG13 VAL A 70 3.159 1.003 -11.449 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.284 -1.154 -12.024 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.520 -0.863 -10.444 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.467 -2.486 -11.173 1.00 1.00 H new ATOM 1086 N GLN A 71 1.089 -3.685 -11.184 1.00 1.00 N ATOM 1087 CA GLN A 71 1.073 -5.101 -10.833 1.00 1.00 C ATOM 1088 C GLN A 71 1.855 -5.917 -11.858 1.00 1.00 C ATOM 1089 O GLN A 71 1.392 -6.124 -12.979 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.373 -5.598 -10.788 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.428 -6.975 -10.124 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.304 -6.836 -8.611 1.00 1.00 C ATOM 1093 OE1 GLN A 71 0.585 -7.538 -7.963 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -1.039 -6.063 -8.003 1.00 1.00 N flip ATOM 0 H GLN A 71 0.314 -3.387 -11.777 1.00 1.00 H new ATOM 0 HA GLN A 71 1.540 -5.224 -9.856 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.993 -4.892 -10.234 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.779 -5.655 -11.798 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.366 -7.471 -10.375 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.377 -7.603 -10.506 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.734 -5.515 -8.510 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -0.955 -5.969 -6.991 1.00 1.00 H new ATOM 1103 N GLU A 72 3.042 -6.380 -11.461 1.00 1.00 N ATOM 1104 CA GLU A 72 3.894 -7.178 -12.346 1.00 1.00 C ATOM 1105 C GLU A 72 3.804 -6.681 -13.786 1.00 1.00 C ATOM 1106 O GLU A 72 3.390 -7.412 -14.687 1.00 1.00 O ATOM 1107 CB GLU A 72 3.475 -8.643 -12.290 1.00 1.00 C ATOM 1108 CG GLU A 72 4.549 -9.507 -12.954 1.00 1.00 C ATOM 1109 CD GLU A 72 5.772 -9.610 -12.048 1.00 1.00 C ATOM 1110 OE1 GLU A 72 5.685 -9.168 -10.915 1.00 1.00 O ATOM 1111 OE2 GLU A 72 6.777 -10.134 -12.499 1.00 1.00 O ATOM 0 H GLU A 72 3.435 -6.217 -10.534 1.00 1.00 H new ATOM 0 HA GLU A 72 4.924 -7.076 -12.005 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.333 -8.952 -11.254 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.520 -8.779 -12.797 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.152 -10.502 -13.157 1.00 1.00 H new ATOM 0 HG3 GLU A 72 4.833 -9.075 -13.914 1.00 1.00 H new ATOM 1118 N ALA A 73 4.185 -5.432 -13.989 1.00 1.00 N ATOM 1119 CA ALA A 73 4.140 -4.837 -15.321 1.00 1.00 C ATOM 1120 C ALA A 73 4.735 -3.429 -15.316 1.00 1.00 C ATOM 1121 O ALA A 73 4.943 -2.833 -14.260 1.00 1.00 O ATOM 1122 CB ALA A 73 2.695 -4.781 -15.814 1.00 1.00 C ATOM 0 H ALA A 73 4.527 -4.810 -13.256 1.00 1.00 H new ATOM 0 HA ALA A 73 4.734 -5.458 -15.991 1.00 1.00 H new ATOM 0 HB1 ALA A 73 2.667 -4.336 -16.809 1.00 1.00 H new ATOM 0 HB2 ALA A 73 2.286 -5.790 -15.856 1.00 1.00 H new ATOM 0 HB3 ALA A 73 2.100 -4.177 -15.129 1.00 1.00 H new ATOM 1128 N GLU A 74 5.004 -2.907 -16.510 1.00 1.00 N ATOM 1129 CA GLU A 74 5.571 -1.570 -16.640 1.00 1.00 C ATOM 1130 C GLU A 74 4.578 -0.517 -16.158 1.00 1.00 C ATOM 1131 O GLU A 74 4.952 0.441 -15.482 1.00 1.00 O ATOM 1132 CB GLU A 74 5.934 -1.300 -18.103 1.00 1.00 C ATOM 1133 CG GLU A 74 7.045 -2.256 -18.552 1.00 1.00 C ATOM 1134 CD GLU A 74 8.323 -1.986 -17.768 1.00 1.00 C ATOM 1135 OE1 GLU A 74 8.437 -0.904 -17.215 1.00 1.00 O ATOM 1136 OE2 GLU A 74 9.170 -2.863 -17.731 1.00 1.00 O ATOM 0 H GLU A 74 4.839 -3.387 -17.395 1.00 1.00 H new ATOM 0 HA GLU A 74 6.469 -1.514 -16.025 1.00 1.00 H new ATOM 0 HB2 GLU A 74 5.055 -1.429 -18.734 1.00 1.00 H new ATOM 0 HB3 GLU A 74 6.262 -0.267 -18.220 1.00 1.00 H new ATOM 0 HG2 GLU A 74 6.729 -3.288 -18.401 1.00 1.00 H new ATOM 0 HG3 GLU A 74 7.232 -2.132 -19.619 1.00 1.00 H new ATOM 1143 N GLU A 75 3.310 -0.700 -16.507 1.00 1.00 N ATOM 1144 CA GLU A 75 2.278 0.243 -16.098 1.00 1.00 C ATOM 1145 C GLU A 75 0.892 -0.336 -16.348 1.00 1.00 C ATOM 1146 O GLU A 75 0.236 -0.001 -17.334 1.00 1.00 O ATOM 1147 CB GLU A 75 2.432 1.559 -16.864 1.00 1.00 C ATOM 1148 CG GLU A 75 1.413 2.575 -16.347 1.00 1.00 C ATOM 1149 CD GLU A 75 1.629 3.923 -17.029 1.00 1.00 C ATOM 1150 OE1 GLU A 75 2.363 3.959 -18.003 1.00 1.00 O ATOM 1151 OE2 GLU A 75 1.058 4.898 -16.568 1.00 1.00 O ATOM 0 H GLU A 75 2.975 -1.484 -17.066 1.00 1.00 H new ATOM 0 HA GLU A 75 2.392 0.432 -15.031 1.00 1.00 H new ATOM 0 HB2 GLU A 75 3.443 1.947 -16.740 1.00 1.00 H new ATOM 0 HB3 GLU A 75 2.284 1.390 -17.931 1.00 1.00 H new ATOM 0 HG2 GLU A 75 0.401 2.218 -16.540 1.00 1.00 H new ATOM 0 HG3 GLU A 75 1.512 2.684 -15.267 1.00 1.00 H new ATOM 1158 N THR A 76 0.449 -1.207 -15.444 1.00 1.00 N ATOM 1159 CA THR A 76 -0.871 -1.836 -15.559 1.00 1.00 C ATOM 1160 C THR A 76 -1.770 -1.387 -14.412 1.00 1.00 C ATOM 1161 O THR A 76 -2.281 -2.208 -13.649 1.00 1.00 O ATOM 1162 CB THR A 76 -0.728 -3.361 -15.522 1.00 1.00 C ATOM 1163 OG1 THR A 76 0.297 -3.756 -16.422 1.00 1.00 O ATOM 1164 CG2 THR A 76 -2.050 -4.017 -15.937 1.00 1.00 C ATOM 0 H THR A 76 0.982 -1.495 -14.623 1.00 1.00 H new ATOM 0 HA THR A 76 -1.318 -1.535 -16.506 1.00 1.00 H new ATOM 0 HB THR A 76 -0.473 -3.676 -14.510 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.100 -4.651 -16.770 1.00 1.00 H new ATOM 0 HG21 THR A 76 -1.943 -5.101 -15.909 1.00 1.00 H new ATOM 0 HG22 THR A 76 -2.839 -3.713 -15.249 1.00 1.00 H new ATOM 0 HG23 THR A 76 -2.310 -3.704 -16.948 1.00 1.00 H new ATOM 1172 N LEU A 77 -1.956 -0.081 -14.296 1.00 1.00 N ATOM 1173 CA LEU A 77 -2.791 0.479 -13.241 1.00 1.00 C ATOM 1174 C LEU A 77 -4.259 0.096 -13.432 1.00 1.00 C ATOM 1175 O LEU A 77 -4.982 -0.109 -12.456 1.00 1.00 O ATOM 1176 CB LEU A 77 -2.666 2.008 -13.222 1.00 1.00 C ATOM 1177 CG LEU A 77 -1.191 2.418 -13.233 1.00 1.00 C ATOM 1178 CD1 LEU A 77 -1.089 3.928 -13.018 1.00 1.00 C ATOM 1179 CD2 LEU A 77 -0.438 1.694 -12.117 1.00 1.00 C ATOM 0 H LEU A 77 -1.541 0.612 -14.919 1.00 1.00 H new ATOM 0 HA LEU A 77 -2.444 0.069 -12.293 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -3.175 2.433 -14.087 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -3.156 2.409 -12.335 1.00 1.00 H new ATOM 0 HG LEU A 77 -0.749 2.149 -14.192 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -0.041 4.226 -13.025 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -1.619 4.446 -13.817 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -1.535 4.190 -12.058 1.00 1.00 H new ATOM 0 HD21 LEU A 77 0.610 1.992 -12.133 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -0.875 1.956 -11.154 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.511 0.617 -12.268 1.00 1.00 H new ATOM 1191 N LEU A 78 -4.698 0.019 -14.685 1.00 1.00 N ATOM 1192 CA LEU A 78 -6.087 -0.318 -14.980 1.00 1.00 C ATOM 1193 C LEU A 78 -6.409 -1.721 -14.486 1.00 1.00 C ATOM 1194 O LEU A 78 -7.484 -1.954 -13.935 1.00 1.00 O ATOM 1195 CB LEU A 78 -6.354 -0.212 -16.487 1.00 1.00 C ATOM 1196 CG LEU A 78 -6.310 1.264 -16.933 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -6.285 1.329 -18.463 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -7.544 2.034 -16.414 1.00 1.00 C ATOM 0 H LEU A 78 -4.117 0.184 -15.507 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.732 0.391 -14.461 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.610 -0.788 -17.037 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -7.328 -0.642 -16.722 1.00 1.00 H new ATOM 0 HG LEU A 78 -5.413 1.724 -16.519 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.254 2.371 -18.782 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.402 0.809 -18.835 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.181 0.854 -18.862 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.489 3.072 -16.742 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.451 1.576 -16.809 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.564 1.998 -15.325 1.00 1.00 H new ATOM 1210 N ILE A 79 -5.475 -2.658 -14.683 1.00 1.00 N ATOM 1211 CA ILE A 79 -5.681 -4.043 -14.242 1.00 1.00 C ATOM 1212 C ILE A 79 -4.625 -4.460 -13.217 1.00 1.00 C ATOM 1213 O ILE A 79 -3.428 -4.267 -13.426 1.00 1.00 O ATOM 1214 CB ILE A 79 -5.623 -4.987 -15.439 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -6.725 -4.613 -16.433 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -5.834 -6.426 -14.964 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -6.520 -5.380 -17.738 1.00 1.00 C ATOM 0 H ILE A 79 -4.579 -2.486 -15.139 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.663 -4.102 -13.773 1.00 1.00 H new ATOM 0 HB ILE A 79 -4.650 -4.903 -15.923 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.703 -4.846 -16.012 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -6.708 -3.540 -16.624 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -5.793 -7.101 -15.819 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -5.052 -6.693 -14.253 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.808 -6.511 -14.481 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.306 -5.112 -18.445 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -5.549 -5.124 -18.161 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.559 -6.451 -17.540 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.085 -5.042 -12.112 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.190 -5.502 -11.045 1.00 1.00 C ATOM 1231 C ASP A 80 -4.730 -6.788 -10.419 1.00 1.00 C ATOM 1232 O ASP A 80 -3.971 -7.695 -10.080 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.060 -4.423 -9.961 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.187 -3.271 -10.456 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.468 -3.467 -11.422 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.244 -2.210 -9.854 1.00 1.00 O ATOM 0 H ASP A 80 -6.075 -5.208 -11.929 1.00 1.00 H new ATOM 0 HA ASP A 80 -3.209 -5.698 -11.478 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.048 -4.049 -9.691 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -3.626 -4.855 -9.059 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.051 -6.854 -10.276 1.00 1.00 N ATOM 1242 CA ILE A 81 -6.695 -8.027 -9.696 1.00 1.00 C ATOM 1243 C ILE A 81 -6.467 -9.255 -10.578 1.00 1.00 C ATOM 1244 O ILE A 81 -6.177 -10.341 -10.081 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.199 -7.763 -9.549 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.416 -6.690 -8.480 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -8.927 -9.047 -9.131 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -9.863 -6.200 -8.528 1.00 1.00 C ATOM 0 H ILE A 81 -6.694 -6.112 -10.553 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.260 -8.220 -8.715 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.597 -7.426 -10.506 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.192 -7.095 -7.493 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -7.734 -5.856 -8.644 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -9.993 -8.844 -9.031 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -8.773 -9.815 -9.889 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -8.532 -9.395 -8.176 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.014 -5.436 -7.765 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.072 -5.778 -9.511 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.537 -7.036 -8.342 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.605 -9.072 -11.887 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.425 -10.173 -12.832 1.00 1.00 C ATOM 1262 C ALA A 82 -5.241 -11.053 -12.439 1.00 1.00 C ATOM 1263 O ALA A 82 -5.235 -12.257 -12.699 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.200 -9.616 -14.239 1.00 1.00 C ATOM 0 H ALA A 82 -6.840 -8.178 -12.318 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.328 -10.784 -12.814 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.066 -10.440 -14.940 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.064 -9.022 -14.538 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.309 -8.988 -14.244 1.00 1.00 H new ATOM 1270 N SER A 83 -4.240 -10.442 -11.805 1.00 1.00 N ATOM 1271 CA SER A 83 -3.047 -11.169 -11.368 1.00 1.00 C ATOM 1272 C SER A 83 -3.096 -11.412 -9.863 1.00 1.00 C ATOM 1273 O SER A 83 -2.241 -10.942 -9.113 1.00 1.00 O ATOM 1274 CB SER A 83 -1.796 -10.365 -11.727 1.00 1.00 C ATOM 1275 OG SER A 83 -0.714 -10.770 -10.898 1.00 1.00 O ATOM 0 H SER A 83 -4.231 -9.447 -11.583 1.00 1.00 H new ATOM 0 HA SER A 83 -3.014 -12.133 -11.875 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.541 -10.519 -12.776 1.00 1.00 H new ATOM 0 HB3 SER A 83 -1.987 -9.300 -11.598 1.00 1.00 H new ATOM 0 HG SER A 83 -0.862 -10.445 -9.985 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.105 -12.160 -9.433 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.263 -12.475 -8.021 1.00 1.00 C ATOM 1283 C ASN A 84 -3.342 -13.626 -7.638 1.00 1.00 C ATOM 1284 O ASN A 84 -2.520 -14.066 -8.443 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.716 -12.857 -7.734 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.624 -11.639 -7.869 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.791 -11.772 -8.238 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -6.160 -10.449 -7.593 1.00 1.00 N ATOM 0 H ASN A 84 -4.822 -12.557 -10.040 1.00 1.00 H new ATOM 0 HA ASN A 84 -4.000 -11.598 -7.430 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.037 -13.636 -8.426 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.798 -13.270 -6.729 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.764 -9.632 -7.683 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -5.193 -10.337 -7.287 1.00 1.00 H new ATOM 1295 N SER A 85 -3.478 -14.105 -6.407 1.00 1.00 N ATOM 1296 CA SER A 85 -2.642 -15.200 -5.930 1.00 1.00 C ATOM 1297 C SER A 85 -1.197 -14.723 -5.801 1.00 1.00 C ATOM 1298 O SER A 85 -0.407 -14.855 -6.733 1.00 1.00 O ATOM 1299 CB SER A 85 -2.728 -16.384 -6.899 1.00 1.00 C ATOM 1300 OG SER A 85 -2.424 -17.585 -6.202 1.00 1.00 O ATOM 0 H SER A 85 -4.153 -13.756 -5.726 1.00 1.00 H new ATOM 0 HA SER A 85 -2.996 -15.525 -4.952 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.727 -16.444 -7.331 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.032 -16.244 -7.726 1.00 1.00 H new ATOM 0 HG SER A 85 -2.480 -18.344 -6.819 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.863 -14.148 -4.649 1.00 1.00 N ATOM 1307 CA GLY A 86 0.486 -13.635 -4.435 1.00 1.00 C ATOM 1308 C GLY A 86 0.776 -12.530 -5.439 1.00 1.00 C ATOM 1309 O GLY A 86 1.389 -12.764 -6.480 1.00 1.00 O ATOM 0 H GLY A 86 -1.498 -14.027 -3.860 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.584 -13.252 -3.419 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.214 -14.439 -4.544 1.00 1.00 H new ATOM 1313 N CYS A 87 0.289 -11.329 -5.133 1.00 1.00 N ATOM 1314 CA CYS A 87 0.455 -10.183 -6.032 1.00 1.00 C ATOM 1315 C CYS A 87 1.686 -9.349 -5.668 1.00 1.00 C ATOM 1316 O CYS A 87 1.867 -8.967 -4.513 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.809 -9.281 -5.966 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.190 -10.197 -5.233 1.00 1.00 S ATOM 0 H CYS A 87 -0.222 -11.122 -4.275 1.00 1.00 H new ATOM 0 HA CYS A 87 0.593 -10.571 -7.041 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.599 -8.390 -5.375 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.077 -8.943 -6.967 1.00 1.00 H new ATOM 1323 N LYS A 88 2.501 -9.020 -6.677 1.00 1.00 N ATOM 1324 CA LYS A 88 3.679 -8.174 -6.467 1.00 1.00 C ATOM 1325 C LYS A 88 3.449 -6.838 -7.172 1.00 1.00 C ATOM 1326 O LYS A 88 3.120 -6.810 -8.360 1.00 1.00 O ATOM 1327 CB LYS A 88 4.935 -8.816 -7.053 1.00 1.00 C ATOM 1328 CG LYS A 88 5.243 -10.142 -6.346 1.00 1.00 C ATOM 1329 CD LYS A 88 6.463 -10.788 -7.004 1.00 1.00 C ATOM 1330 CE LYS A 88 6.839 -12.077 -6.264 1.00 1.00 C ATOM 1331 NZ LYS A 88 5.709 -13.044 -6.331 1.00 1.00 N ATOM 0 H LYS A 88 2.367 -9.325 -7.641 1.00 1.00 H new ATOM 0 HA LYS A 88 3.822 -8.040 -5.395 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.797 -8.990 -8.120 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.781 -8.136 -6.948 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.435 -9.968 -5.287 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.384 -10.810 -6.409 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.248 -11.009 -8.049 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.303 -10.094 -6.991 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.732 -12.516 -6.709 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.078 -11.854 -5.224 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 6.081 -14.003 -6.483 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.176 -13.017 -5.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 5.079 -12.788 -7.118 1.00 1.00 H new ATOM 1345 N ILE A 89 3.621 -5.732 -6.447 1.00 1.00 N ATOM 1346 CA ILE A 89 3.430 -4.397 -7.029 1.00 1.00 C ATOM 1347 C ILE A 89 4.638 -3.520 -6.735 1.00 1.00 C ATOM 1348 O ILE A 89 5.375 -3.770 -5.781 1.00 1.00 O ATOM 1349 CB ILE A 89 2.157 -3.734 -6.466 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.277 -3.562 -4.942 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.941 -4.606 -6.789 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.138 -2.684 -4.425 1.00 1.00 C ATOM 0 H ILE A 89 3.890 -5.730 -5.463 1.00 1.00 H new ATOM 0 HA ILE A 89 3.319 -4.507 -8.108 1.00 1.00 H new ATOM 0 HB ILE A 89 2.036 -2.752 -6.924 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.247 -4.536 -4.454 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.237 -3.111 -4.693 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.041 -4.137 -6.391 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.847 -4.713 -7.870 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.068 -5.590 -6.337 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.230 -2.567 -3.345 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.188 -1.705 -4.902 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.182 -3.153 -4.659 1.00 1.00 H new ATOM 1364 N ARG A 90 4.826 -2.479 -7.542 1.00 1.00 N ATOM 1365 CA ARG A 90 5.945 -1.554 -7.344 1.00 1.00 C ATOM 1366 C ARG A 90 5.431 -0.126 -7.263 1.00 1.00 C ATOM 1367 O ARG A 90 4.504 0.261 -7.978 1.00 1.00 O ATOM 1368 CB ARG A 90 6.965 -1.677 -8.486 1.00 1.00 C ATOM 1369 CG ARG A 90 7.537 -3.112 -8.545 1.00 1.00 C ATOM 1370 CD ARG A 90 6.725 -3.977 -9.509 1.00 1.00 C ATOM 1371 NE ARG A 90 7.208 -5.357 -9.453 1.00 1.00 N ATOM 1372 CZ ARG A 90 6.382 -6.393 -9.559 1.00 1.00 C ATOM 1373 NH1 ARG A 90 5.108 -6.201 -9.775 1.00 1.00 N ATOM 1374 NH2 ARG A 90 6.851 -7.603 -9.455 1.00 1.00 N ATOM 0 H ARG A 90 4.224 -2.253 -8.334 1.00 1.00 H new ATOM 0 HA ARG A 90 6.441 -1.813 -6.409 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.490 -1.429 -9.435 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.774 -0.962 -8.338 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.578 -3.081 -8.865 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.523 -3.556 -7.550 1.00 1.00 H new ATOM 0 HD2 ARG A 90 5.668 -3.940 -9.245 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.814 -3.590 -10.524 1.00 1.00 H new ATOM 0 HE ARG A 90 8.206 -5.529 -9.329 1.00 1.00 H new ATOM 0 HH11 ARG A 90 4.743 -5.253 -9.863 1.00 1.00 H new ATOM 0 HH12 ARG A 90 4.478 -6.999 -9.856 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.847 -7.752 -9.293 1.00 1.00 H new ATOM 0 HH22 ARG A 90 6.222 -8.402 -9.535 1.00 1.00 H new ATOM 1388 N VAL A 91 6.032 0.649 -6.367 1.00 1.00 N ATOM 1389 CA VAL A 91 5.631 2.041 -6.160 1.00 1.00 C ATOM 1390 C VAL A 91 6.786 2.990 -6.458 1.00 1.00 C ATOM 1391 O VAL A 91 7.914 2.780 -6.011 1.00 1.00 O ATOM 1392 CB VAL A 91 5.183 2.233 -4.711 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.694 3.668 -4.503 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.045 1.257 -4.403 1.00 1.00 C ATOM 0 H VAL A 91 6.799 0.339 -5.771 1.00 1.00 H new ATOM 0 HA VAL A 91 4.809 2.267 -6.840 1.00 1.00 H new ATOM 0 HB VAL A 91 6.024 2.042 -4.044 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.376 3.798 -3.468 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.503 4.364 -4.724 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.853 3.866 -5.168 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.721 1.390 -3.371 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.208 1.451 -5.073 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.394 0.234 -4.545 1.00 1.00 H new ATOM 1404 N GLN A 92 6.483 4.046 -7.208 1.00 1.00 N ATOM 1405 CA GLN A 92 7.483 5.050 -7.562 1.00 1.00 C ATOM 1406 C GLN A 92 6.857 6.441 -7.551 1.00 1.00 C ATOM 1407 O GLN A 92 5.732 6.632 -8.016 1.00 1.00 O ATOM 1408 CB GLN A 92 8.057 4.751 -8.946 1.00 1.00 C ATOM 1409 CG GLN A 92 6.922 4.687 -9.969 1.00 1.00 C ATOM 1410 CD GLN A 92 7.476 4.314 -11.339 1.00 1.00 C ATOM 1411 OE1 GLN A 92 6.853 4.714 -12.412 1.00 1.00 O flip ATOM 1412 NE2 GLN A 92 8.501 3.639 -11.433 1.00 1.00 N flip ATOM 0 H GLN A 92 5.552 4.229 -7.583 1.00 1.00 H new ATOM 0 HA GLN A 92 8.288 5.018 -6.828 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.772 5.524 -9.229 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.599 3.806 -8.930 1.00 1.00 H new ATOM 0 HG2 GLN A 92 6.180 3.953 -9.656 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.415 5.650 -10.023 1.00 1.00 H new ATOM 0 HE21 GLN A 92 8.986 3.328 -10.591 1.00 1.00 H new ATOM 0 HE22 GLN A 92 8.866 3.391 -12.353 1.00 1.00 H new ATOM 1421 N GLY A 93 7.590 7.406 -7.014 1.00 1.00 N ATOM 1422 CA GLY A 93 7.099 8.774 -6.944 1.00 1.00 C ATOM 1423 C GLY A 93 8.103 9.670 -6.233 1.00 1.00 C ATOM 1424 O GLY A 93 9.237 9.268 -5.986 1.00 1.00 O ATOM 0 H GLY A 93 8.522 7.268 -6.623 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.915 9.152 -7.950 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.146 8.797 -6.416 1.00 1.00 H new ATOM 1428 N ASP A 94 7.682 10.887 -5.917 1.00 1.00 N ATOM 1429 CA ASP A 94 8.554 11.839 -5.242 1.00 1.00 C ATOM 1430 C ASP A 94 8.954 11.340 -3.855 1.00 1.00 C ATOM 1431 O ASP A 94 10.102 11.488 -3.442 1.00 1.00 O ATOM 1432 CB ASP A 94 7.850 13.195 -5.118 1.00 1.00 C ATOM 1433 CG ASP A 94 7.777 13.876 -6.481 1.00 1.00 C ATOM 1434 OD1 ASP A 94 8.393 13.371 -7.406 1.00 1.00 O ATOM 1435 OD2 ASP A 94 7.108 14.890 -6.579 1.00 1.00 O ATOM 0 H ASP A 94 6.745 11.238 -6.116 1.00 1.00 H new ATOM 0 HA ASP A 94 9.459 11.948 -5.840 1.00 1.00 H new ATOM 0 HB2 ASP A 94 6.846 13.056 -4.718 1.00 1.00 H new ATOM 0 HB3 ASP A 94 8.389 13.830 -4.414 1.00 1.00 H new ATOM 1440 N TRP A 95 7.998 10.772 -3.134 1.00 1.00 N ATOM 1441 CA TRP A 95 8.255 10.277 -1.785 1.00 1.00 C ATOM 1442 C TRP A 95 9.322 9.180 -1.776 1.00 1.00 C ATOM 1443 O TRP A 95 10.130 9.104 -0.852 1.00 1.00 O ATOM 1444 CB TRP A 95 6.954 9.748 -1.181 1.00 1.00 C ATOM 1445 CG TRP A 95 6.051 10.897 -0.849 1.00 1.00 C ATOM 1446 CD1 TRP A 95 5.201 11.496 -1.716 1.00 1.00 C ATOM 1447 CD2 TRP A 95 5.884 11.584 0.425 1.00 1.00 C ATOM 1448 NE1 TRP A 95 4.537 12.516 -1.059 1.00 1.00 N ATOM 1449 CE2 TRP A 95 4.920 12.608 0.264 1.00 1.00 C ATOM 1450 CE3 TRP A 95 6.474 11.422 1.691 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 4.555 13.440 1.323 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 6.107 12.257 2.759 1.00 1.00 C ATOM 1453 CH2 TRP A 95 5.150 13.265 2.575 1.00 1.00 C ATOM 0 H TRP A 95 7.039 10.642 -3.457 1.00 1.00 H new ATOM 0 HA TRP A 95 8.633 11.106 -1.186 1.00 1.00 H new ATOM 0 HB2 TRP A 95 6.461 9.076 -1.884 1.00 1.00 H new ATOM 0 HB3 TRP A 95 7.167 9.168 -0.283 1.00 1.00 H new ATOM 0 HD1 TRP A 95 5.064 11.222 -2.752 1.00 1.00 H new ATOM 0 HE1 TRP A 95 3.848 13.126 -1.499 1.00 1.00 H new ATOM 0 HE3 TRP A 95 7.214 10.650 1.843 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 3.817 14.215 1.176 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 6.565 12.122 3.728 1.00 1.00 H new ATOM 0 HH2 TRP A 95 4.873 13.905 3.400 1.00 1.00 H new ATOM 1464 N ILE A 96 9.321 8.331 -2.802 1.00 1.00 N ATOM 1465 CA ILE A 96 10.302 7.240 -2.891 1.00 1.00 C ATOM 1466 C ILE A 96 10.699 6.993 -4.346 1.00 1.00 C ATOM 1467 O ILE A 96 9.870 7.114 -5.243 1.00 1.00 O ATOM 1468 CB ILE A 96 9.711 5.963 -2.283 1.00 1.00 C ATOM 1469 CG1 ILE A 96 8.412 5.594 -3.011 1.00 1.00 C ATOM 1470 CG2 ILE A 96 9.414 6.196 -0.805 1.00 1.00 C ATOM 1471 CD1 ILE A 96 7.910 4.234 -2.526 1.00 1.00 C ATOM 0 H ILE A 96 8.661 8.372 -3.578 1.00 1.00 H new ATOM 0 HA ILE A 96 11.195 7.524 -2.334 1.00 1.00 H new ATOM 0 HB ILE A 96 10.428 5.149 -2.390 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.654 6.356 -2.830 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.584 5.565 -4.087 1.00 1.00 H new ATOM 0 HG21 ILE A 96 8.994 5.289 -0.371 1.00 1.00 H new ATOM 0 HG22 ILE A 96 10.337 6.453 -0.285 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.699 7.012 -0.702 1.00 1.00 H new ATOM 0 HD11 ILE A 96 6.987 3.979 -3.048 1.00 1.00 H new ATOM 0 HD12 ILE A 96 8.664 3.474 -2.730 1.00 1.00 H new ATOM 0 HD13 ILE A 96 7.720 4.278 -1.454 1.00 1.00 H new ATOM 1483 N ARG A 97 11.967 6.644 -4.578 1.00 1.00 N ATOM 1484 CA ARG A 97 12.430 6.393 -5.944 1.00 1.00 C ATOM 1485 C ARG A 97 11.770 5.141 -6.514 1.00 1.00 C ATOM 1486 O ARG A 97 11.155 5.188 -7.581 1.00 1.00 O ATOM 1487 CB ARG A 97 13.955 6.224 -5.976 1.00 1.00 C ATOM 1488 CG ARG A 97 14.632 7.578 -5.733 1.00 1.00 C ATOM 1489 CD ARG A 97 16.152 7.387 -5.661 1.00 1.00 C ATOM 1490 NE ARG A 97 16.656 6.884 -6.935 1.00 1.00 N ATOM 1491 CZ ARG A 97 17.931 6.528 -7.086 1.00 1.00 C ATOM 1492 NH1 ARG A 97 18.785 6.714 -6.116 1.00 1.00 N ATOM 1493 NH2 ARG A 97 18.330 6.008 -8.215 1.00 1.00 N ATOM 0 H ARG A 97 12.677 6.531 -3.855 1.00 1.00 H new ATOM 0 HA ARG A 97 12.153 7.253 -6.554 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.267 5.509 -5.215 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.265 5.819 -6.939 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.380 8.271 -6.535 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.266 8.018 -4.805 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.634 8.334 -5.419 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.401 6.689 -4.862 1.00 1.00 H new ATOM 0 HE ARG A 97 16.018 6.803 -7.727 1.00 1.00 H new ATOM 0 HH11 ARG A 97 18.477 7.133 -5.239 1.00 1.00 H new ATOM 0 HH12 ARG A 97 19.760 6.440 -6.236 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.666 5.875 -8.978 1.00 1.00 H new ATOM 0 HH22 ARG A 97 19.305 5.734 -8.334 1.00 1.00 H new ATOM 1507 N GLU A 98 11.896 4.030 -5.790 1.00 1.00 N ATOM 1508 CA GLU A 98 11.306 2.766 -6.218 1.00 1.00 C ATOM 1509 C GLU A 98 11.488 1.694 -5.139 1.00 1.00 C ATOM 1510 O GLU A 98 12.594 1.474 -4.641 1.00 1.00 O ATOM 1511 CB GLU A 98 11.945 2.297 -7.536 1.00 1.00 C ATOM 1512 CG GLU A 98 13.372 1.813 -7.282 1.00 1.00 C ATOM 1513 CD GLU A 98 14.110 1.639 -8.606 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.474 1.248 -9.571 1.00 1.00 O ATOM 1515 OE2 GLU A 98 15.302 1.904 -8.638 1.00 1.00 O ATOM 0 H GLU A 98 12.401 3.981 -4.905 1.00 1.00 H new ATOM 0 HA GLU A 98 10.239 2.923 -6.378 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.352 1.493 -7.971 1.00 1.00 H new ATOM 0 HB3 GLU A 98 11.952 3.114 -8.257 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.901 2.529 -6.653 1.00 1.00 H new ATOM 0 HG3 GLU A 98 13.353 0.867 -6.740 1.00 1.00 H new ATOM 1522 N ARG A 99 10.391 1.033 -4.792 1.00 1.00 N ATOM 1523 CA ARG A 99 10.405 -0.027 -3.786 1.00 1.00 C ATOM 1524 C ARG A 99 9.434 -1.127 -4.209 1.00 1.00 C ATOM 1525 O ARG A 99 8.438 -0.847 -4.875 1.00 1.00 O ATOM 1526 CB ARG A 99 9.982 0.538 -2.432 1.00 1.00 C ATOM 1527 CG ARG A 99 10.916 1.682 -2.043 1.00 1.00 C ATOM 1528 CD ARG A 99 10.639 2.085 -0.599 1.00 1.00 C ATOM 1529 NE ARG A 99 9.268 2.564 -0.458 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.763 2.871 0.734 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.499 2.756 1.806 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.530 3.284 0.831 1.00 1.00 N ATOM 0 H ARG A 99 9.472 1.213 -5.195 1.00 1.00 H new ATOM 0 HA ARG A 99 11.412 -0.436 -3.700 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.953 0.895 -2.480 1.00 1.00 H new ATOM 0 HB3 ARG A 99 10.013 -0.245 -1.674 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.955 1.373 -2.154 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.764 2.533 -2.706 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.803 1.233 0.061 1.00 1.00 H new ATOM 0 HD3 ARG A 99 11.337 2.864 -0.292 1.00 1.00 H new ATOM 0 HE ARG A 99 8.686 2.665 -1.289 1.00 1.00 H new ATOM 0 HH11 ARG A 99 10.463 2.430 1.730 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.110 2.992 2.719 1.00 1.00 H new ATOM 0 HH21 ARG A 99 6.954 3.371 -0.006 1.00 1.00 H new ATOM 0 HH22 ARG A 99 7.141 3.520 1.744 1.00 1.00 H new ATOM 1546 N ARG A 100 9.719 -2.378 -3.836 1.00 1.00 N ATOM 1547 CA ARG A 100 8.844 -3.503 -4.213 1.00 1.00 C ATOM 1548 C ARG A 100 8.023 -3.990 -3.019 1.00 1.00 C ATOM 1549 O ARG A 100 8.461 -3.910 -1.871 1.00 1.00 O ATOM 1550 CB ARG A 100 9.684 -4.657 -4.775 1.00 1.00 C ATOM 1551 CG ARG A 100 10.386 -4.197 -6.061 1.00 1.00 C ATOM 1552 CD ARG A 100 11.299 -5.311 -6.589 1.00 1.00 C ATOM 1553 NE ARG A 100 10.512 -6.386 -7.179 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.103 -7.480 -7.661 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.392 -7.492 -7.876 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.385 -8.520 -7.983 1.00 1.00 N ATOM 0 H ARG A 100 10.534 -2.640 -3.282 1.00 1.00 H new ATOM 0 HA ARG A 100 8.153 -3.151 -4.979 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.422 -4.976 -4.039 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.048 -5.517 -4.983 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.645 -3.935 -6.816 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.971 -3.299 -5.864 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.984 -4.904 -7.333 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.909 -5.704 -5.776 1.00 1.00 H new ATOM 0 HE ARG A 100 9.497 -6.301 -7.224 1.00 1.00 H new ATOM 0 HH11 ARG A 100 12.950 -6.662 -7.675 1.00 1.00 H new ATOM 0 HH12 ARG A 100 12.840 -8.331 -8.245 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.372 -8.496 -7.866 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.836 -9.357 -8.352 1.00 1.00 H new ATOM 1570 N PHE A 101 6.818 -4.493 -3.308 1.00 1.00 N ATOM 1571 CA PHE A 101 5.919 -4.991 -2.262 1.00 1.00 C ATOM 1572 C PHE A 101 5.177 -6.231 -2.754 1.00 1.00 C ATOM 1573 O PHE A 101 4.915 -6.370 -3.948 1.00 1.00 O ATOM 1574 CB PHE A 101 4.898 -3.909 -1.892 1.00 1.00 C ATOM 1575 CG PHE A 101 5.615 -2.667 -1.424 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.032 -2.560 -0.093 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.855 -1.619 -2.321 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.692 -1.405 0.342 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.514 -0.464 -1.886 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.933 -0.357 -0.555 1.00 1.00 C ATOM 0 H PHE A 101 6.444 -4.566 -4.254 1.00 1.00 H new ATOM 0 HA PHE A 101 6.514 -5.248 -1.386 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.273 -3.676 -2.754 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.235 -4.275 -1.108 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.845 -3.368 0.599 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.532 -1.702 -3.348 1.00 1.00 H new ATOM 0 HE1 PHE A 101 7.015 -1.322 1.369 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.699 0.345 -2.577 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.442 0.534 -0.219 1.00 1.00 H new ATOM 1590 N GLU A 102 4.838 -7.132 -1.831 1.00 1.00 N ATOM 1591 CA GLU A 102 4.122 -8.358 -2.192 1.00 1.00 C ATOM 1592 C GLU A 102 3.133 -8.755 -1.101 1.00 1.00 C ATOM 1593 O GLU A 102 3.336 -8.456 0.073 1.00 1.00 O ATOM 1594 CB GLU A 102 5.129 -9.490 -2.406 1.00 1.00 C ATOM 1595 CG GLU A 102 4.404 -10.758 -2.869 1.00 1.00 C ATOM 1596 CD GLU A 102 5.424 -11.849 -3.187 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.577 -11.676 -2.825 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.039 -12.838 -3.787 1.00 1.00 O ATOM 0 H GLU A 102 5.045 -7.039 -0.837 1.00 1.00 H new ATOM 0 HA GLU A 102 3.565 -8.176 -3.111 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.869 -9.193 -3.149 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.668 -9.688 -1.480 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.720 -11.101 -2.092 1.00 1.00 H new ATOM 0 HG3 GLU A 102 3.802 -10.542 -3.751 1.00 1.00 H new ATOM 1605 N ILE A 103 2.062 -9.449 -1.497 1.00 1.00 N ATOM 1606 CA ILE A 103 1.044 -9.910 -0.546 1.00 1.00 C ATOM 1607 C ILE A 103 0.731 -11.390 -0.819 1.00 1.00 C ATOM 1608 O ILE A 103 -0.007 -11.693 -1.754 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.240 -9.077 -0.690 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.083 -7.571 -0.503 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.244 -9.527 0.378 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.341 -6.909 -1.861 1.00 1.00 C ATOM 0 H ILE A 103 1.877 -9.704 -2.467 1.00 1.00 H new ATOM 0 HA ILE A 103 1.425 -9.792 0.468 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.664 -9.225 -1.683 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.747 -7.074 -0.000 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.958 -7.457 0.137 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.160 -8.943 0.286 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.472 -10.584 0.240 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.815 -9.375 1.368 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.566 -5.853 -1.714 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.186 -7.396 -2.348 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.545 -7.007 -2.488 1.00 1.00 H new ATOM 1624 N PRO A 104 1.286 -12.323 -0.064 1.00 1.00 N ATOM 1625 CA PRO A 104 1.047 -13.778 -0.313 1.00 1.00 C ATOM 1626 C PRO A 104 -0.378 -14.211 0.030 1.00 1.00 C ATOM 1627 O PRO A 104 -0.804 -15.307 -0.334 1.00 1.00 O ATOM 1628 CB PRO A 104 2.087 -14.486 0.572 1.00 1.00 C ATOM 1629 CG PRO A 104 2.394 -13.519 1.672 1.00 1.00 C ATOM 1630 CD PRO A 104 2.184 -12.113 1.094 1.00 1.00 C ATOM 0 HA PRO A 104 1.152 -14.029 -1.369 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.694 -15.422 0.969 1.00 1.00 H new ATOM 0 HB3 PRO A 104 2.984 -14.733 0.004 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.741 -13.687 2.528 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.418 -13.644 2.023 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.736 -11.444 1.829 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.129 -11.664 0.788 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.109 -13.350 0.726 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.484 -13.662 1.102 1.00 1.00 C ATOM 1640 C ASP A 105 -3.427 -13.212 -0.005 1.00 1.00 C ATOM 1641 O ASP A 105 -3.724 -12.029 -0.137 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.827 -12.957 2.415 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.131 -13.653 3.581 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.655 -14.760 3.387 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.079 -13.068 4.649 1.00 1.00 O ATOM 0 H ASP A 105 -0.778 -12.438 1.040 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.593 -14.737 1.242 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.518 -11.913 2.368 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.906 -12.963 2.569 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.866 -14.170 -0.815 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.746 -13.881 -1.943 1.00 1.00 C ATOM 1652 C GLU A 106 -6.030 -13.185 -1.502 1.00 1.00 C ATOM 1653 O GLU A 106 -6.365 -12.123 -2.018 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.089 -15.189 -2.661 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.914 -14.897 -3.916 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.177 -16.194 -4.674 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.921 -17.247 -4.112 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.628 -16.118 -5.805 1.00 1.00 O ATOM 0 H GLU A 106 -3.626 -15.156 -0.711 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.220 -13.204 -2.616 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.174 -15.715 -2.932 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.648 -15.844 -1.993 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.859 -14.428 -3.641 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.383 -14.192 -4.556 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.751 -13.778 -0.558 1.00 1.00 N ATOM 1666 CA GLU A 107 -8.000 -13.180 -0.096 1.00 1.00 C ATOM 1667 C GLU A 107 -7.781 -11.724 0.303 1.00 1.00 C ATOM 1668 O GLU A 107 -8.570 -10.851 -0.055 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.575 -13.982 1.081 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.597 -13.979 2.258 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.112 -14.895 3.364 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.605 -15.964 3.038 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -8.011 -14.514 4.518 1.00 1.00 O ATOM 0 H GLU A 107 -6.500 -14.656 -0.104 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.719 -13.206 -0.915 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.528 -13.553 1.391 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.774 -15.007 0.768 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.614 -14.313 1.926 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.477 -12.965 2.640 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.702 -11.465 1.027 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.386 -10.106 1.446 1.00 1.00 C ATOM 1682 C HIS A 108 -5.985 -9.253 0.242 1.00 1.00 C ATOM 1683 O HIS A 108 -6.330 -8.074 0.158 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.240 -10.135 2.462 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.710 -10.708 3.778 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -6.960 -11.014 4.266 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -4.822 -11.036 4.793 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -6.848 -11.521 5.558 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.541 -11.513 5.826 1.00 1.00 N flip ATOM 0 H HIS A 108 -6.034 -12.172 1.335 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.271 -9.666 1.905 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.416 -10.733 2.072 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.857 -9.126 2.615 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.748 -10.928 4.760 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.648 -11.850 6.205 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -5.136 -11.830 6.707 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.248 -9.859 -0.684 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.790 -9.152 -1.873 1.00 1.00 C ATOM 1699 C CYS A 109 -5.968 -8.597 -2.666 1.00 1.00 C ATOM 1700 O CYS A 109 -5.875 -7.527 -3.257 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.945 -10.099 -2.753 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.595 -9.174 -3.535 1.00 1.00 S ATOM 0 H CYS A 109 -4.956 -10.835 -0.633 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.172 -8.311 -1.559 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.539 -10.908 -2.146 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.573 -10.558 -3.517 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.067 -9.334 -2.692 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.231 -8.890 -3.442 1.00 1.00 C ATOM 1709 C LEU A 110 -8.772 -7.579 -2.889 1.00 1.00 C ATOM 1710 O LEU A 110 -9.083 -6.663 -3.648 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.338 -9.948 -3.379 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.881 -11.255 -4.042 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.973 -12.320 -3.858 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.631 -11.024 -5.541 1.00 1.00 C ATOM 0 H LEU A 110 -7.178 -10.227 -2.212 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.920 -8.739 -4.476 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.608 -10.137 -2.340 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.232 -9.575 -3.878 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.954 -11.593 -3.578 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.655 -13.252 -4.327 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.142 -12.488 -2.794 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.898 -11.977 -4.322 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.307 -11.956 -6.004 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.552 -10.684 -6.015 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.857 -10.268 -5.668 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.889 -7.490 -1.571 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.408 -6.270 -0.969 1.00 1.00 C ATOM 1728 C LYS A 111 -8.441 -5.110 -1.176 1.00 1.00 C ATOM 1729 O LYS A 111 -8.843 -3.993 -1.505 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.644 -6.468 0.532 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.788 -7.455 0.740 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.980 -7.716 2.236 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.064 -8.779 2.425 1.00 1.00 C ATOM 1734 NZ LYS A 111 -13.376 -8.239 1.972 1.00 1.00 N ATOM 0 H LYS A 111 -8.639 -8.228 -0.912 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.355 -6.037 -1.456 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.737 -6.841 1.008 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.882 -5.514 1.003 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.707 -7.057 0.310 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.573 -8.390 0.223 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.044 -8.051 2.682 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.264 -6.795 2.745 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.812 -9.675 1.857 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.122 -9.072 3.473 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -14.144 -8.826 2.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -13.485 -7.262 2.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -13.416 -8.251 0.933 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.163 -5.393 -0.959 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.117 -4.392 -1.104 1.00 1.00 C ATOM 1750 C PHE A 112 -6.041 -3.878 -2.536 1.00 1.00 C ATOM 1751 O PHE A 112 -6.008 -2.670 -2.773 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.780 -5.024 -0.700 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.624 -4.136 -1.100 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.452 -2.897 -0.479 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.727 -4.553 -2.093 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.385 -2.072 -0.849 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.661 -3.731 -2.463 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.489 -2.489 -1.844 1.00 1.00 C ATOM 0 H PHE A 112 -6.826 -6.314 -0.680 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.343 -3.542 -0.461 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.762 -5.189 0.377 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.676 -6.000 -1.174 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.143 -2.576 0.287 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.861 -5.511 -2.573 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.251 -1.114 -0.369 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.969 -4.054 -3.227 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.666 -1.851 -2.132 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.004 -4.803 -3.485 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.919 -4.432 -4.886 1.00 1.00 C ATOM 1770 C LEU A 113 -7.197 -3.746 -5.355 1.00 1.00 C ATOM 1771 O LEU A 113 -7.147 -2.780 -6.116 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.630 -5.677 -5.727 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.224 -6.212 -5.400 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.011 -7.535 -6.136 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.144 -5.200 -5.827 1.00 1.00 C ATOM 0 H LEU A 113 -6.031 -5.808 -3.310 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.104 -3.719 -5.010 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.377 -6.445 -5.526 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.700 -5.435 -6.788 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.143 -6.366 -4.324 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.017 -7.921 -5.910 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.762 -8.256 -5.814 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.101 -7.373 -7.210 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.158 -5.597 -5.587 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.213 -5.025 -6.901 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.296 -4.260 -5.296 1.00 1.00 H new ATOM 1787 N SER A 114 -8.338 -4.250 -4.908 1.00 1.00 N ATOM 1788 CA SER A 114 -9.618 -3.669 -5.301 1.00 1.00 C ATOM 1789 C SER A 114 -9.768 -2.243 -4.774 1.00 1.00 C ATOM 1790 O SER A 114 -10.163 -1.338 -5.510 1.00 1.00 O ATOM 1791 CB SER A 114 -10.757 -4.531 -4.760 1.00 1.00 C ATOM 1792 OG SER A 114 -10.660 -4.603 -3.343 1.00 1.00 O ATOM 0 H SER A 114 -8.407 -5.051 -4.280 1.00 1.00 H new ATOM 0 HA SER A 114 -9.655 -3.636 -6.390 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.718 -4.107 -5.049 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.708 -5.531 -5.191 1.00 1.00 H new ATOM 0 HG SER A 114 -9.982 -5.265 -3.095 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.464 -2.053 -3.494 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.583 -0.734 -2.877 1.00 1.00 C ATOM 1800 C ALA A 115 -8.585 0.257 -3.483 1.00 1.00 C ATOM 1801 O ALA A 115 -8.953 1.374 -3.849 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.365 -0.853 -1.359 1.00 1.00 C ATOM 0 H ALA A 115 -9.136 -2.788 -2.867 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.585 -0.352 -3.071 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.454 0.132 -0.900 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.115 -1.520 -0.935 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.371 -1.255 -1.165 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.325 -0.157 -3.585 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.285 0.704 -4.148 1.00 1.00 C ATOM 1810 C VAL A 116 -6.562 0.996 -5.621 1.00 1.00 C ATOM 1811 O VAL A 116 -6.429 2.135 -6.071 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.913 0.035 -3.992 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.857 0.803 -4.795 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.513 0.035 -2.514 1.00 1.00 C ATOM 0 H VAL A 116 -6.999 -1.077 -3.288 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.287 1.649 -3.606 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.974 -0.988 -4.363 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.887 0.319 -4.677 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.134 0.808 -5.849 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.798 1.829 -4.431 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.538 -0.440 -2.401 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.461 1.062 -2.151 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.255 -0.517 -1.936 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.940 -0.033 -6.367 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.223 0.134 -7.784 1.00 1.00 C ATOM 1826 C LEU A 117 -8.357 1.122 -7.979 1.00 1.00 C ATOM 1827 O LEU A 117 -8.298 1.993 -8.843 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.614 -1.217 -8.393 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.092 -1.038 -9.841 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.024 -0.312 -10.662 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.357 -2.416 -10.445 1.00 1.00 C ATOM 0 H LEU A 117 -7.057 -0.984 -6.018 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.330 0.515 -8.279 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.761 -1.895 -8.367 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.403 -1.676 -7.798 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.005 -0.443 -9.853 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.373 -0.190 -11.687 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.833 0.668 -10.225 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.104 -0.896 -10.659 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.697 -2.303 -11.474 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.439 -3.003 -10.429 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.124 -2.927 -9.863 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.388 0.968 -7.173 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.544 1.841 -7.260 1.00 1.00 C ATOM 1845 C ALA A 118 -10.148 3.279 -6.962 1.00 1.00 C ATOM 1846 O ALA A 118 -10.656 4.214 -7.580 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.620 1.379 -6.277 1.00 1.00 C ATOM 0 H ALA A 118 -9.450 0.249 -6.452 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.942 1.794 -8.274 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.485 2.039 -6.348 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.921 0.360 -6.519 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.223 1.409 -5.262 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.234 3.451 -6.016 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.781 4.786 -5.659 1.00 1.00 C ATOM 1855 C ALA A 119 -8.098 5.459 -6.847 1.00 1.00 C ATOM 1856 O ALA A 119 -8.421 6.591 -7.190 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.806 4.712 -4.478 1.00 1.00 C ATOM 0 H ALA A 119 -8.798 2.694 -5.490 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.651 5.378 -5.374 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.472 5.717 -4.218 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.307 4.263 -3.620 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.945 4.104 -4.755 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.156 4.758 -7.471 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.442 5.316 -8.619 1.00 1.00 C ATOM 1865 C GLN A 120 -7.353 5.422 -9.841 1.00 1.00 C ATOM 1866 O GLN A 120 -7.253 6.368 -10.623 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.216 4.459 -8.956 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.139 4.649 -7.884 1.00 1.00 C ATOM 1869 CD GLN A 120 -2.926 3.776 -8.197 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.048 2.555 -8.292 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -1.754 4.334 -8.360 1.00 1.00 N ATOM 0 H GLN A 120 -6.871 3.815 -7.207 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.114 6.320 -8.349 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.501 3.409 -9.016 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.823 4.739 -9.933 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -3.841 5.696 -7.839 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.540 4.389 -6.904 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.656 5.346 -8.281 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -0.939 3.757 -8.566 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.235 4.443 -9.998 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.161 4.421 -11.122 1.00 1.00 C ATOM 1882 C LYS A 121 -10.068 5.643 -11.067 1.00 1.00 C ATOM 1883 O LYS A 121 -10.296 6.309 -12.078 1.00 1.00 O ATOM 1884 CB LYS A 121 -9.998 3.141 -11.051 1.00 1.00 C ATOM 1885 CG LYS A 121 -10.919 3.015 -12.267 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.747 1.739 -12.103 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.674 1.546 -13.307 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.475 0.297 -13.131 1.00 1.00 N ATOM 0 H LYS A 121 -8.328 3.653 -9.360 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.605 4.441 -12.059 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.339 2.274 -10.999 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.594 3.143 -10.138 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.571 3.885 -12.343 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.334 2.974 -13.186 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.085 0.879 -12.004 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.336 1.795 -11.188 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.338 2.404 -13.408 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -12.088 1.487 -14.224 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.103 0.169 -13.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.834 -0.519 -13.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.046 0.370 -12.265 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.579 5.930 -9.875 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.465 7.075 -9.684 1.00 1.00 C ATOM 1904 C ALA A 122 -10.740 8.397 -9.961 1.00 1.00 C ATOM 1905 O ALA A 122 -11.319 9.316 -10.540 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.008 7.083 -8.251 1.00 1.00 C ATOM 0 H ALA A 122 -10.397 5.389 -9.029 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.288 6.980 -10.392 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.668 7.940 -8.117 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.565 6.164 -8.068 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.178 7.151 -7.548 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.479 8.490 -9.545 1.00 1.00 N ATOM 1913 CA GLN A 123 -8.708 9.713 -9.759 1.00 1.00 C ATOM 1914 C GLN A 123 -8.372 9.888 -11.236 1.00 1.00 C ATOM 1915 O GLN A 123 -8.379 11.005 -11.758 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.417 9.683 -8.936 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.764 9.729 -7.446 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.491 9.635 -6.611 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.389 9.643 -7.157 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.579 9.541 -5.311 1.00 1.00 N ATOM 0 H GLN A 123 -8.975 7.745 -9.064 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.318 10.557 -9.435 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -6.850 8.780 -9.161 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -6.784 10.531 -9.200 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.292 10.654 -7.216 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.435 8.908 -7.195 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.494 9.535 -4.861 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.732 9.474 -4.746 1.00 1.00 H new ATOM 1929 N SER A 124 -8.075 8.776 -11.906 1.00 1.00 N ATOM 1930 CA SER A 124 -7.731 8.806 -13.328 1.00 1.00 C ATOM 1931 C SER A 124 -8.199 7.529 -14.020 1.00 1.00 C ATOM 1932 O SER A 124 -9.173 7.599 -14.752 1.00 1.00 O ATOM 1933 CB SER A 124 -6.219 8.948 -13.492 1.00 1.00 C ATOM 1934 OG SER A 124 -5.852 8.580 -14.816 1.00 1.00 O ATOM 1935 OXT SER A 124 -7.577 6.501 -13.810 1.00 1.00 O ATOM 0 H SER A 124 -8.065 7.845 -11.489 1.00 1.00 H new ATOM 0 HA SER A 124 -8.231 9.659 -13.787 1.00 1.00 H new ATOM 0 HB2 SER A 124 -5.915 9.975 -13.290 1.00 1.00 H new ATOM 0 HB3 SER A 124 -5.703 8.315 -12.770 1.00 1.00 H new ATOM 0 HG SER A 124 -4.882 8.672 -14.924 1.00 1.00 H new TER 1941 SER A 124