USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 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 71 SER OG : rot -150:sc= -0.224 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.529 X(o=-0.75,f=-0.3) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= -0.049 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= -0.193 USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 52 SER OG : rot 180:sc= -1.04! USER MOD Set 4.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -160:sc= -0.0245 (180deg=-0.833) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.825 F(o=-2.8,f=-0.82) USER MOD Single : A 17 SER OG : rot -71:sc= 1.04 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.631 USER MOD Single : A 28 THR OG1 : rot -52:sc= -5.64! USER MOD Single : A 30 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 150:sc= -7.54! (180deg=-10.2!) USER MOD Single : A 35 SER OG : rot 150:sc= -1.61 USER MOD Single : A 39 GLN : amide:sc= -4.21! C(o=-4.2!,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 0.173 (180deg=0.0942) USER MOD Single : A 49 SER OG : rot -48:sc= 0.467 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -32:sc= -0.509! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.57! C(o=-1.6!,f=-1.6!) USER MOD Single : A 78 THR OG1 : rot 118:sc= -2.84! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -120:sc= -16! (180deg=-18.9!) USER MOD Single : A 84 ASN : amide:sc= -4.06! C(o=-4.1!,f=-12!) USER MOD Single : A 85 SER OG : rot -41:sc= 0.082 USER MOD Single : A 91 THR OG1 : rot 44:sc= -0.591! USER MOD Single : A 94 TYR OH : rot -148:sc= -2.88! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 0.378 (180deg=0.257) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= -0.0809 (180deg=-0.677) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -1.84! USER MOD Single : A 109 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.8) USER MOD Single : A 111 THR OG1 : rot 80:sc= -0.682 USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 116 SER OG : rot 55:sc= 0.0692 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.390 12.232 -16.548 1.00 0.00 N ATOM 2 CA GLU A 1 -14.251 11.856 -15.112 1.00 0.00 C ATOM 3 C GLU A 1 -13.243 10.713 -14.978 1.00 0.00 C ATOM 4 O GLU A 1 -13.163 9.841 -15.820 1.00 0.00 O ATOM 5 CB GLU A 1 -15.610 11.404 -14.572 1.00 0.00 C ATOM 6 CG GLU A 1 -16.713 12.292 -15.150 1.00 0.00 C ATOM 7 CD GLU A 1 -17.967 12.181 -14.281 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.924 11.453 -13.303 1.00 0.00 O ATOM 9 OE2 GLU A 1 -18.949 12.828 -14.608 1.00 0.00 O ATOM 0 H1 GLU A 1 -14.788 13.190 -16.619 1.00 0.00 H new ATOM 0 H2 GLU A 1 -13.456 12.210 -17.005 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.024 11.558 -17.024 1.00 0.00 H new ATOM 0 HA GLU A 1 -13.900 12.717 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.790 10.363 -14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.617 11.460 -13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.376 13.328 -15.190 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.939 11.990 -16.173 1.00 0.00 H new ATOM 10 N VAL A 2 -12.471 10.706 -13.924 1.00 0.00 N ATOM 11 CA VAL A 2 -11.473 9.616 -13.739 1.00 0.00 C ATOM 12 C VAL A 2 -12.211 8.268 -13.659 1.00 0.00 C ATOM 13 O VAL A 2 -13.392 8.219 -13.376 1.00 0.00 O ATOM 14 CB VAL A 2 -10.667 9.889 -12.456 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.377 9.288 -11.237 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.275 9.267 -12.593 1.00 0.00 C ATOM 0 H VAL A 2 -12.489 11.408 -13.184 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.781 9.579 -14.580 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.582 10.966 -12.315 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.793 9.491 -10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.366 9.735 -11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.477 8.211 -11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.700 9.458 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.370 8.192 -12.743 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.762 9.708 -13.447 1.00 0.00 H new ATOM 17 N GLN A 3 -11.534 7.174 -13.909 1.00 0.00 N ATOM 18 CA GLN A 3 -12.214 5.838 -13.848 1.00 0.00 C ATOM 19 C GLN A 3 -11.132 4.767 -13.827 1.00 0.00 C ATOM 20 O GLN A 3 -10.447 4.559 -14.803 1.00 0.00 O ATOM 21 CB GLN A 3 -13.100 5.652 -15.083 1.00 0.00 C ATOM 22 CG GLN A 3 -14.192 4.623 -14.777 1.00 0.00 C ATOM 23 CD GLN A 3 -14.045 3.424 -15.718 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.186 2.586 -15.524 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.855 3.306 -16.735 1.00 0.00 N ATOM 0 H GLN A 3 -10.544 7.146 -14.152 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.839 5.768 -12.958 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.551 6.603 -15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.498 5.319 -15.929 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.117 4.296 -13.740 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.176 5.075 -14.898 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.576 4.009 -16.897 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.767 2.510 -17.367 1.00 0.00 H new ATOM 26 N LEU A 4 -10.930 4.119 -12.711 1.00 0.00 N ATOM 27 CA LEU A 4 -9.831 3.115 -12.654 1.00 0.00 C ATOM 28 C LEU A 4 -10.109 2.000 -11.653 1.00 0.00 C ATOM 29 O LEU A 4 -11.181 1.905 -11.098 1.00 0.00 O ATOM 30 CB LEU A 4 -8.538 3.812 -12.251 1.00 0.00 C ATOM 31 CG LEU A 4 -8.810 5.114 -11.500 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.250 6.209 -12.463 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.853 4.919 -10.394 1.00 0.00 C ATOM 0 H LEU A 4 -11.467 4.238 -11.852 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.751 2.667 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.946 3.146 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.945 4.022 -13.141 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.878 5.421 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.439 7.128 -11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.465 6.384 -13.198 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.162 5.900 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.021 5.866 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.789 4.573 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.492 4.179 -9.680 1.00 0.00 H new ATOM 34 N VAL A 5 -9.120 1.156 -11.432 1.00 0.00 N ATOM 35 CA VAL A 5 -9.277 0.016 -10.471 1.00 0.00 C ATOM 36 C VAL A 5 -8.041 -0.908 -10.555 1.00 0.00 C ATOM 37 O VAL A 5 -7.758 -1.479 -11.588 1.00 0.00 O ATOM 38 CB VAL A 5 -10.557 -0.770 -10.832 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.380 -2.269 -10.560 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.721 -0.252 -9.989 1.00 0.00 C ATOM 0 H VAL A 5 -8.206 1.212 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.360 0.396 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.758 -0.627 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.296 -2.797 -10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.555 -2.653 -11.160 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.163 -2.424 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.627 -0.804 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.494 -0.390 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.874 0.808 -10.192 1.00 0.00 H new ATOM 41 N GLU A 6 -7.318 -1.066 -9.467 1.00 0.00 N ATOM 42 CA GLU A 6 -6.111 -1.963 -9.466 1.00 0.00 C ATOM 43 C GLU A 6 -6.409 -3.238 -10.261 1.00 0.00 C ATOM 44 O GLU A 6 -7.546 -3.529 -10.576 1.00 0.00 O ATOM 45 CB GLU A 6 -5.770 -2.346 -8.023 1.00 0.00 C ATOM 46 CG GLU A 6 -6.933 -3.133 -7.419 1.00 0.00 C ATOM 47 CD GLU A 6 -8.016 -2.161 -6.949 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.923 -1.698 -5.827 1.00 0.00 O ATOM 49 OE2 GLU A 6 -8.920 -1.895 -7.723 1.00 0.00 O ATOM 0 H GLU A 6 -7.513 -0.610 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.273 -1.437 -9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.860 -2.945 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.577 -1.450 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.343 -3.821 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.582 -3.736 -6.582 1.00 0.00 H new ATOM 50 N SER A 7 -5.404 -4.011 -10.583 1.00 0.00 N ATOM 51 CA SER A 7 -5.662 -5.264 -11.351 1.00 0.00 C ATOM 52 C SER A 7 -4.343 -5.841 -11.874 1.00 0.00 C ATOM 53 O SER A 7 -3.563 -5.161 -12.510 1.00 0.00 O ATOM 54 CB SER A 7 -6.599 -4.955 -12.523 1.00 0.00 C ATOM 55 OG SER A 7 -5.983 -5.339 -13.747 1.00 0.00 O ATOM 0 H SER A 7 -4.427 -3.832 -10.350 1.00 0.00 H new ATOM 0 HA SER A 7 -6.129 -6.000 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.542 -5.488 -12.397 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.834 -3.891 -12.542 1.00 0.00 H new ATOM 0 HG SER A 7 -6.587 -5.141 -14.493 1.00 0.00 H new ATOM 56 N GLY A 8 -4.093 -7.094 -11.608 1.00 0.00 N ATOM 57 CA GLY A 8 -2.830 -7.728 -12.083 1.00 0.00 C ATOM 58 C GLY A 8 -2.727 -9.139 -11.505 1.00 0.00 C ATOM 59 O GLY A 8 -2.862 -10.121 -12.207 1.00 0.00 O ATOM 0 H GLY A 8 -4.712 -7.709 -11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.816 -7.766 -13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.971 -7.132 -11.774 1.00 0.00 H new ATOM 60 N GLY A 9 -2.495 -9.246 -10.225 1.00 0.00 N ATOM 61 CA GLY A 9 -2.390 -10.590 -9.592 1.00 0.00 C ATOM 62 C GLY A 9 -1.055 -11.234 -9.964 1.00 0.00 C ATOM 63 O GLY A 9 -0.896 -12.437 -9.891 1.00 0.00 O ATOM 0 H GLY A 9 -2.373 -8.458 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.471 -10.499 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.214 -11.223 -9.922 1.00 0.00 H new ATOM 64 N GLY A 10 -0.091 -10.449 -10.354 1.00 0.00 N ATOM 65 CA GLY A 10 1.232 -11.027 -10.719 1.00 0.00 C ATOM 66 C GLY A 10 1.682 -11.979 -9.603 1.00 0.00 C ATOM 67 O GLY A 10 1.180 -11.931 -8.494 1.00 0.00 O ATOM 0 H GLY A 10 -0.161 -9.435 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.161 -11.562 -11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.966 -10.233 -10.856 1.00 0.00 H new ATOM 68 N LEU A 11 2.627 -12.841 -9.878 1.00 0.00 N ATOM 69 CA LEU A 11 3.108 -13.779 -8.821 1.00 0.00 C ATOM 70 C LEU A 11 4.372 -13.194 -8.189 1.00 0.00 C ATOM 71 O LEU A 11 4.993 -12.307 -8.741 1.00 0.00 O ATOM 72 CB LEU A 11 3.416 -15.148 -9.435 1.00 0.00 C ATOM 73 CG LEU A 11 2.116 -15.786 -9.933 1.00 0.00 C ATOM 74 CD1 LEU A 11 2.413 -16.684 -11.136 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.494 -16.626 -8.811 1.00 0.00 C ATOM 0 H LEU A 11 3.084 -12.935 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 11 2.337 -13.907 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.120 -15.039 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.890 -15.793 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 11 1.420 -15.001 -10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.487 -17.137 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.853 -16.088 -11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.111 -17.468 -10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.569 -17.080 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.191 -17.409 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.279 -15.987 -7.954 1.00 0.00 H new ATOM 76 N VAL A 12 4.751 -13.654 -7.029 1.00 0.00 N ATOM 77 CA VAL A 12 5.966 -13.081 -6.374 1.00 0.00 C ATOM 78 C VAL A 12 6.653 -14.124 -5.490 1.00 0.00 C ATOM 79 O VAL A 12 6.732 -13.963 -4.294 1.00 0.00 O ATOM 80 CB VAL A 12 5.568 -11.890 -5.496 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.959 -10.591 -6.195 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.053 -11.896 -5.244 1.00 0.00 C ATOM 0 H VAL A 12 4.280 -14.394 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 12 6.653 -12.764 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 12 6.087 -11.967 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.676 -9.743 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.036 -10.577 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.444 -10.524 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.785 -11.044 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.526 -11.828 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.772 -12.820 -4.738 1.00 0.00 H new ATOM 83 N GLN A 13 7.153 -15.179 -6.054 1.00 0.00 N ATOM 84 CA GLN A 13 7.841 -16.204 -5.214 1.00 0.00 C ATOM 85 C GLN A 13 8.847 -15.483 -4.291 1.00 0.00 C ATOM 86 O GLN A 13 8.986 -14.282 -4.371 1.00 0.00 O ATOM 87 CB GLN A 13 8.549 -17.203 -6.152 1.00 0.00 C ATOM 88 CG GLN A 13 10.010 -16.790 -6.384 1.00 0.00 C ATOM 89 CD GLN A 13 10.052 -15.419 -7.062 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.736 -14.454 -6.514 1.00 0.00 O flip ATOM 91 NE2 GLN A 13 9.455 -15.226 -8.103 1.00 0.00 N flip ATOM 0 H GLN A 13 7.119 -15.382 -7.053 1.00 0.00 H new ATOM 0 HA GLN A 13 7.135 -16.754 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.513 -18.203 -5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.023 -17.249 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.544 -16.754 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.514 -17.530 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.920 -15.981 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.489 -14.309 -8.548 1.00 0.00 H new ATOM 92 N PRO A 14 9.534 -16.225 -3.454 1.00 0.00 N ATOM 93 CA PRO A 14 10.534 -15.646 -2.538 1.00 0.00 C ATOM 94 C PRO A 14 11.707 -15.078 -3.332 1.00 0.00 C ATOM 95 O PRO A 14 12.497 -15.780 -3.931 1.00 0.00 O ATOM 96 CB PRO A 14 10.903 -16.804 -1.609 1.00 0.00 C ATOM 97 CG PRO A 14 10.480 -18.095 -2.339 1.00 0.00 C ATOM 98 CD PRO A 14 9.399 -17.688 -3.356 1.00 0.00 C ATOM 0 HA PRO A 14 10.172 -14.798 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.973 -16.809 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.390 -16.713 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.332 -18.554 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.092 -18.830 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.558 -18.169 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.404 -17.975 -3.017 1.00 0.00 H new ATOM 99 N GLY A 15 11.759 -13.778 -3.364 1.00 0.00 N ATOM 100 CA GLY A 15 12.791 -13.032 -4.133 1.00 0.00 C ATOM 101 C GLY A 15 12.066 -11.821 -4.711 1.00 0.00 C ATOM 102 O GLY A 15 12.616 -10.749 -4.870 1.00 0.00 O ATOM 0 H GLY A 15 11.100 -13.178 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.616 -12.726 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.216 -13.650 -4.924 1.00 0.00 H new ATOM 103 N GLY A 16 10.798 -12.003 -4.975 1.00 0.00 N ATOM 104 CA GLY A 16 9.942 -10.905 -5.490 1.00 0.00 C ATOM 105 C GLY A 16 10.182 -10.647 -6.971 1.00 0.00 C ATOM 106 O GLY A 16 11.219 -10.967 -7.520 1.00 0.00 O ATOM 0 H GLY A 16 10.313 -12.891 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.893 -11.156 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.141 -9.994 -4.926 1.00 0.00 H new ATOM 107 N SER A 17 9.205 -10.055 -7.601 1.00 0.00 N ATOM 108 CA SER A 17 9.282 -9.727 -9.049 1.00 0.00 C ATOM 109 C SER A 17 7.857 -9.753 -9.602 1.00 0.00 C ATOM 110 O SER A 17 7.461 -10.692 -10.265 1.00 0.00 O ATOM 111 CB SER A 17 10.134 -10.762 -9.786 1.00 0.00 C ATOM 112 OG SER A 17 9.620 -10.946 -11.098 1.00 0.00 O ATOM 0 H SER A 17 8.330 -9.777 -7.156 1.00 0.00 H new ATOM 0 HA SER A 17 9.739 -8.748 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.171 -10.429 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.127 -11.708 -9.244 1.00 0.00 H new ATOM 0 HG SER A 17 8.769 -11.430 -11.051 1.00 0.00 H new ATOM 113 N LEU A 18 7.065 -8.756 -9.308 1.00 0.00 N ATOM 114 CA LEU A 18 5.655 -8.776 -9.793 1.00 0.00 C ATOM 115 C LEU A 18 5.378 -7.641 -10.758 1.00 0.00 C ATOM 116 O LEU A 18 6.167 -6.733 -10.935 1.00 0.00 O ATOM 117 CB LEU A 18 4.708 -8.601 -8.620 1.00 0.00 C ATOM 118 CG LEU A 18 3.361 -9.228 -8.963 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.948 -10.165 -7.837 1.00 0.00 C ATOM 120 CD2 LEU A 18 2.304 -8.128 -9.122 1.00 0.00 C ATOM 0 H LEU A 18 7.330 -7.938 -8.759 1.00 0.00 H new ATOM 0 HA LEU A 18 5.504 -9.732 -10.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.124 -9.070 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.582 -7.542 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 18 3.445 -9.784 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.985 -10.617 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.698 -10.947 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.864 -9.602 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.343 -8.580 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.216 -7.571 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.601 -7.451 -9.923 1.00 0.00 H new ATOM 121 N ARG A 19 4.223 -7.691 -11.359 1.00 0.00 N ATOM 122 CA ARG A 19 3.821 -6.633 -12.306 1.00 0.00 C ATOM 123 C ARG A 19 2.327 -6.343 -12.140 1.00 0.00 C ATOM 124 O ARG A 19 1.503 -6.803 -12.906 1.00 0.00 O ATOM 125 CB ARG A 19 4.110 -7.112 -13.721 1.00 0.00 C ATOM 126 CG ARG A 19 3.511 -6.132 -14.729 1.00 0.00 C ATOM 127 CD ARG A 19 4.356 -6.125 -16.002 1.00 0.00 C ATOM 128 NE ARG A 19 3.527 -6.587 -17.149 1.00 0.00 N ATOM 129 CZ ARG A 19 3.961 -6.440 -18.371 1.00 0.00 C ATOM 130 NH1 ARG A 19 5.037 -5.739 -18.606 1.00 0.00 N ATOM 131 NH2 ARG A 19 3.316 -6.994 -19.361 1.00 0.00 N ATOM 0 H ARG A 19 3.536 -8.433 -11.228 1.00 0.00 H new ATOM 0 HA ARG A 19 4.379 -5.717 -12.111 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.186 -7.194 -13.875 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.689 -8.106 -13.872 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.485 -6.417 -14.963 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.474 -5.131 -14.300 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.735 -5.121 -16.194 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.222 -6.775 -15.880 1.00 0.00 H new ATOM 0 HE ARG A 19 2.619 -7.019 -16.980 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.541 -5.304 -17.833 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.373 -5.626 -19.562 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.474 -7.541 -19.179 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.654 -6.880 -20.317 1.00 0.00 H new ATOM 132 N LEU A 20 1.972 -5.578 -11.140 1.00 0.00 N ATOM 133 CA LEU A 20 0.532 -5.251 -10.913 1.00 0.00 C ATOM 134 C LEU A 20 0.257 -3.828 -11.405 1.00 0.00 C ATOM 135 O LEU A 20 1.118 -2.982 -11.373 1.00 0.00 O ATOM 136 CB LEU A 20 0.217 -5.353 -9.419 1.00 0.00 C ATOM 137 CG LEU A 20 -1.243 -5.728 -9.239 1.00 0.00 C ATOM 138 CD1 LEU A 20 -1.508 -6.027 -7.766 1.00 0.00 C ATOM 139 CD2 LEU A 20 -2.151 -4.583 -9.699 1.00 0.00 C ATOM 0 H LEU A 20 2.619 -5.164 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.098 -5.952 -11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.857 -6.101 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.424 -4.403 -8.926 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.459 -6.610 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.556 -6.297 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.876 -6.854 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.282 -5.144 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.194 -4.869 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.939 -3.691 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.967 -4.373 -10.753 1.00 0.00 H new ATOM 140 N SER A 21 -0.920 -3.549 -11.889 1.00 0.00 N ATOM 141 CA SER A 21 -1.177 -2.177 -12.398 1.00 0.00 C ATOM 142 C SER A 21 -2.465 -1.565 -11.829 1.00 0.00 C ATOM 143 O SER A 21 -3.339 -2.247 -11.331 1.00 0.00 O ATOM 144 CB SER A 21 -1.324 -2.253 -13.906 1.00 0.00 C ATOM 145 OG SER A 21 -1.479 -3.610 -14.302 1.00 0.00 O ATOM 0 H SER A 21 -1.703 -4.200 -11.953 1.00 0.00 H new ATOM 0 HA SER A 21 -0.342 -1.548 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.186 -1.669 -14.227 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.448 -1.820 -14.389 1.00 0.00 H new ATOM 0 HG SER A 21 -1.576 -3.658 -15.276 1.00 0.00 H new ATOM 146 N CYS A 22 -2.585 -0.264 -11.961 1.00 0.00 N ATOM 147 CA CYS A 22 -3.796 0.465 -11.507 1.00 0.00 C ATOM 148 C CYS A 22 -4.656 0.732 -12.742 1.00 0.00 C ATOM 149 O CYS A 22 -4.328 1.575 -13.558 1.00 0.00 O ATOM 150 CB CYS A 22 -3.390 1.821 -10.907 1.00 0.00 C ATOM 151 SG CYS A 22 -3.541 1.819 -9.101 1.00 0.00 S ATOM 0 H CYS A 22 -1.869 0.332 -12.377 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.331 -0.120 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.362 2.051 -11.187 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.018 2.608 -11.325 1.00 0.00 H new ATOM 152 N ALA A 23 -5.741 0.032 -12.907 1.00 0.00 N ATOM 153 CA ALA A 23 -6.590 0.286 -14.104 1.00 0.00 C ATOM 154 C ALA A 23 -6.856 1.788 -14.180 1.00 0.00 C ATOM 155 O ALA A 23 -6.645 2.491 -13.216 1.00 0.00 O ATOM 156 CB ALA A 23 -7.916 -0.467 -13.970 1.00 0.00 C ATOM 0 H ALA A 23 -6.075 -0.696 -12.275 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.085 -0.058 -15.007 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.533 -0.277 -14.849 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.721 -1.536 -13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.440 -0.125 -13.078 1.00 0.00 H new ATOM 157 N ALA A 24 -7.310 2.285 -15.303 1.00 0.00 N ATOM 158 CA ALA A 24 -7.589 3.752 -15.425 1.00 0.00 C ATOM 159 C ALA A 24 -7.851 4.104 -16.894 1.00 0.00 C ATOM 160 O ALA A 24 -7.185 3.611 -17.793 1.00 0.00 O ATOM 161 CB ALA A 24 -6.394 4.560 -14.902 1.00 0.00 C ATOM 0 H ALA A 24 -7.500 1.739 -16.143 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.469 3.999 -14.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.606 5.625 -14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.219 4.315 -13.854 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.506 4.315 -15.485 1.00 0.00 H new ATOM 162 N SER A 25 -8.822 4.947 -17.150 1.00 0.00 N ATOM 163 CA SER A 25 -9.126 5.307 -18.567 1.00 0.00 C ATOM 164 C SER A 25 -9.616 6.754 -18.657 1.00 0.00 C ATOM 165 O SER A 25 -9.037 7.564 -19.356 1.00 0.00 O ATOM 166 CB SER A 25 -10.211 4.371 -19.100 1.00 0.00 C ATOM 167 OG SER A 25 -9.770 3.024 -18.981 1.00 0.00 O ATOM 0 H SER A 25 -9.410 5.396 -16.447 1.00 0.00 H new ATOM 0 HA SER A 25 -8.218 5.206 -19.162 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.136 4.513 -18.542 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.428 4.604 -20.142 1.00 0.00 H new ATOM 0 HG SER A 25 -10.464 2.421 -19.320 1.00 0.00 H new ATOM 168 N GLY A 26 -10.683 7.081 -17.970 1.00 0.00 N ATOM 169 CA GLY A 26 -11.218 8.478 -18.023 1.00 0.00 C ATOM 170 C GLY A 26 -10.056 9.469 -18.054 1.00 0.00 C ATOM 171 O GLY A 26 -10.119 10.502 -18.691 1.00 0.00 O ATOM 0 H GLY A 26 -11.207 6.440 -17.374 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.842 8.606 -18.907 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.850 8.670 -17.156 1.00 0.00 H new ATOM 172 N PHE A 27 -8.989 9.151 -17.379 1.00 0.00 N ATOM 173 CA PHE A 27 -7.805 10.052 -17.369 1.00 0.00 C ATOM 174 C PHE A 27 -6.557 9.216 -17.663 1.00 0.00 C ATOM 175 O PHE A 27 -6.640 8.103 -18.141 1.00 0.00 O ATOM 176 CB PHE A 27 -7.678 10.719 -15.985 1.00 0.00 C ATOM 177 CG PHE A 27 -6.861 9.839 -15.056 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.379 8.616 -14.612 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.576 10.238 -14.660 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.618 7.797 -13.772 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.815 9.421 -13.829 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.337 8.196 -13.381 1.00 0.00 C ATOM 0 H PHE A 27 -8.885 8.298 -16.829 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.915 10.830 -18.125 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.203 11.695 -16.085 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.668 10.888 -15.562 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.367 8.305 -14.919 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.176 11.182 -15.001 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.020 6.856 -13.426 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.824 9.728 -13.529 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.748 7.562 -12.734 1.00 0.00 H new ATOM 183 N THR A 28 -5.406 9.733 -17.348 1.00 0.00 N ATOM 184 CA THR A 28 -4.161 8.957 -17.572 1.00 0.00 C ATOM 185 C THR A 28 -3.782 8.277 -16.249 1.00 0.00 C ATOM 186 O THR A 28 -4.546 7.500 -15.711 1.00 0.00 O ATOM 187 CB THR A 28 -3.050 9.907 -18.033 1.00 0.00 C ATOM 188 OG1 THR A 28 -2.966 11.002 -17.132 1.00 0.00 O ATOM 189 CG2 THR A 28 -3.369 10.426 -19.436 1.00 0.00 C ATOM 0 H THR A 28 -5.274 10.661 -16.945 1.00 0.00 H new ATOM 0 HA THR A 28 -4.305 8.200 -18.343 1.00 0.00 H new ATOM 0 HB THR A 28 -2.099 9.374 -18.052 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.854 11.402 -17.020 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.578 11.101 -19.763 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.438 9.586 -20.128 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.319 10.961 -19.419 1.00 0.00 H new ATOM 190 N PHE A 29 -2.623 8.555 -15.712 1.00 0.00 N ATOM 191 CA PHE A 29 -2.214 7.928 -14.419 1.00 0.00 C ATOM 192 C PHE A 29 -1.097 8.771 -13.819 1.00 0.00 C ATOM 193 O PHE A 29 -1.087 9.083 -12.646 1.00 0.00 O ATOM 194 CB PHE A 29 -1.690 6.517 -14.660 1.00 0.00 C ATOM 195 CG PHE A 29 -2.414 5.916 -15.828 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.045 6.264 -17.135 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.463 5.020 -15.609 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.728 5.708 -18.212 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.138 4.471 -16.688 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.770 4.815 -17.986 1.00 0.00 C ATOM 0 H PHE A 29 -1.938 9.193 -16.116 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.071 7.877 -13.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.618 6.543 -14.855 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.838 5.904 -13.771 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.236 6.959 -17.305 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.747 4.756 -14.601 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.449 5.969 -19.222 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.949 3.777 -16.522 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.298 4.385 -18.824 1.00 0.00 H new ATOM 201 N SER A 30 -0.162 9.152 -14.642 1.00 0.00 N ATOM 202 CA SER A 30 0.962 9.993 -14.166 1.00 0.00 C ATOM 203 C SER A 30 0.724 11.415 -14.657 1.00 0.00 C ATOM 204 O SER A 30 1.118 12.378 -14.028 1.00 0.00 O ATOM 205 CB SER A 30 2.280 9.461 -14.735 1.00 0.00 C ATOM 206 OG SER A 30 2.996 8.787 -13.709 1.00 0.00 O ATOM 0 H SER A 30 -0.131 8.913 -15.633 1.00 0.00 H new ATOM 0 HA SER A 30 1.020 9.973 -13.078 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.083 8.781 -15.564 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.877 10.283 -15.131 1.00 0.00 H new ATOM 0 HG SER A 30 3.840 8.444 -14.070 1.00 0.00 H new ATOM 207 N SER A 31 0.060 11.557 -15.775 1.00 0.00 N ATOM 208 CA SER A 31 -0.221 12.923 -16.292 1.00 0.00 C ATOM 209 C SER A 31 -0.830 13.743 -15.158 1.00 0.00 C ATOM 210 O SER A 31 -0.381 14.831 -14.857 1.00 0.00 O ATOM 211 CB SER A 31 -1.202 12.849 -17.464 1.00 0.00 C ATOM 212 OG SER A 31 -0.862 13.844 -18.421 1.00 0.00 O ATOM 0 H SER A 31 -0.296 10.791 -16.346 1.00 0.00 H new ATOM 0 HA SER A 31 0.700 13.388 -16.643 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.167 11.860 -17.921 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.222 13.001 -17.110 1.00 0.00 H new ATOM 0 HG SER A 31 -1.487 13.800 -19.175 1.00 0.00 H new ATOM 213 N TYR A 32 -1.840 13.224 -14.510 1.00 0.00 N ATOM 214 CA TYR A 32 -2.451 13.975 -13.382 1.00 0.00 C ATOM 215 C TYR A 32 -1.937 13.404 -12.064 1.00 0.00 C ATOM 216 O TYR A 32 -2.247 13.900 -11.001 1.00 0.00 O ATOM 217 CB TYR A 32 -3.971 13.856 -13.459 1.00 0.00 C ATOM 218 CG TYR A 32 -4.397 14.079 -14.887 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.210 13.066 -15.835 1.00 0.00 C ATOM 220 CD2 TYR A 32 -4.963 15.300 -15.269 1.00 0.00 C ATOM 221 CE1 TYR A 32 -4.592 13.273 -17.165 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.346 15.507 -16.599 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.161 14.494 -17.547 1.00 0.00 C ATOM 224 OH TYR A 32 -5.536 14.699 -18.859 1.00 0.00 O ATOM 0 H TYR A 32 -2.263 12.319 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.178 15.029 -13.442 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.292 12.872 -13.118 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.442 14.589 -12.804 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.771 12.125 -15.540 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.104 16.082 -14.538 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.448 12.492 -17.896 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.785 16.449 -16.894 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.914 15.598 -18.954 1.00 0.00 H new ATOM 225 N ALA A 33 -1.134 12.374 -12.134 1.00 0.00 N ATOM 226 CA ALA A 33 -0.567 11.766 -10.900 1.00 0.00 C ATOM 227 C ALA A 33 -1.574 10.807 -10.265 1.00 0.00 C ATOM 228 O ALA A 33 -2.740 10.786 -10.609 1.00 0.00 O ATOM 229 CB ALA A 33 -0.208 12.866 -9.901 1.00 0.00 C ATOM 0 H ALA A 33 -0.846 11.926 -13.004 1.00 0.00 H new ATOM 0 HA ALA A 33 0.330 11.208 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.207 12.417 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.529 13.535 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.104 13.432 -9.646 1.00 0.00 H new ATOM 230 N MET A 34 -1.123 10.012 -9.332 1.00 0.00 N ATOM 231 CA MET A 34 -2.020 9.049 -8.652 1.00 0.00 C ATOM 232 C MET A 34 -1.195 8.314 -7.605 1.00 0.00 C ATOM 233 O MET A 34 -0.108 8.728 -7.263 1.00 0.00 O ATOM 234 CB MET A 34 -2.576 8.040 -9.666 1.00 0.00 C ATOM 235 CG MET A 34 -1.427 7.417 -10.472 1.00 0.00 C ATOM 236 SD MET A 34 -0.616 6.117 -9.499 1.00 0.00 S ATOM 237 CE MET A 34 -1.862 4.822 -9.718 1.00 0.00 C ATOM 0 H MET A 34 -0.155 9.993 -9.011 1.00 0.00 H new ATOM 0 HA MET A 34 -2.858 9.572 -8.191 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.132 7.259 -9.147 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.276 8.536 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.810 7.000 -11.403 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.703 8.186 -10.741 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.380 3.845 -9.687 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.600 4.889 -8.919 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.357 4.952 -10.681 1.00 0.00 H new ATOM 238 N SER A 35 -1.684 7.224 -7.113 1.00 0.00 N ATOM 239 CA SER A 35 -0.909 6.456 -6.109 1.00 0.00 C ATOM 240 C SER A 35 -1.647 5.173 -5.843 1.00 0.00 C ATOM 241 O SER A 35 -2.825 5.078 -6.131 1.00 0.00 O ATOM 242 CB SER A 35 -0.801 7.248 -4.816 1.00 0.00 C ATOM 243 OG SER A 35 -0.467 6.372 -3.747 1.00 0.00 O ATOM 0 H SER A 35 -2.590 6.827 -7.361 1.00 0.00 H new ATOM 0 HA SER A 35 0.096 6.258 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.041 8.023 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.745 7.751 -4.606 1.00 0.00 H new ATOM 0 HG SER A 35 0.054 6.860 -3.075 1.00 0.00 H new ATOM 244 N TRP A 36 -1.020 4.162 -5.310 1.00 0.00 N ATOM 245 CA TRP A 36 -1.841 2.966 -5.116 1.00 0.00 C ATOM 246 C TRP A 36 -1.141 1.810 -4.404 1.00 0.00 C ATOM 247 O TRP A 36 0.074 1.795 -4.162 1.00 0.00 O ATOM 248 CB TRP A 36 -2.340 2.532 -6.488 1.00 0.00 C ATOM 249 CG TRP A 36 -1.368 1.655 -7.170 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.234 2.054 -7.788 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.464 0.223 -7.338 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.368 0.944 -8.336 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.350 -0.219 -8.072 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.407 -0.728 -6.909 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.184 -1.575 -8.379 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.236 -2.077 -7.203 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.128 -2.501 -7.935 1.00 0.00 C ATOM 0 H TRP A 36 -0.043 4.119 -5.022 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.658 3.231 -4.446 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.290 2.008 -6.381 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.529 3.413 -7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.135 3.067 -7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.236 0.970 -8.871 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.272 -0.408 -6.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.669 -1.902 -8.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.964 -2.798 -6.863 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.000 -3.550 -8.159 1.00 0.00 H new ATOM 258 N VAL A 37 -1.985 0.851 -4.082 1.00 0.00 N ATOM 259 CA VAL A 37 -1.618 -0.401 -3.375 1.00 0.00 C ATOM 260 C VAL A 37 -2.168 -0.312 -1.928 1.00 0.00 C ATOM 261 O VAL A 37 -3.060 0.466 -1.698 1.00 0.00 O ATOM 262 CB VAL A 37 -0.109 -0.634 -3.422 1.00 0.00 C ATOM 263 CG1 VAL A 37 0.166 -2.016 -2.896 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.390 -0.565 -4.861 1.00 0.00 C ATOM 0 H VAL A 37 -2.979 0.904 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.064 -1.266 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 37 0.395 0.127 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.239 -2.207 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.194 -2.093 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.347 -2.750 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.467 -0.733 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.108 -1.331 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.168 0.418 -5.276 1.00 0.00 H new ATOM 265 N ARG A 38 -1.664 -1.089 -0.973 1.00 0.00 N ATOM 266 CA ARG A 38 -2.144 -1.033 0.453 1.00 0.00 C ATOM 267 C ARG A 38 -3.140 -2.148 0.843 1.00 0.00 C ATOM 268 O ARG A 38 -4.334 -1.933 0.905 1.00 0.00 O ATOM 269 CB ARG A 38 -2.732 0.346 0.809 1.00 0.00 C ATOM 270 CG ARG A 38 -1.609 1.392 0.802 1.00 0.00 C ATOM 271 CD ARG A 38 -1.666 2.217 -0.485 1.00 0.00 C ATOM 272 NE ARG A 38 -1.109 3.577 -0.229 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.750 4.639 -0.642 1.00 0.00 C ATOM 274 NH1 ARG A 38 -3.056 4.661 -0.633 1.00 0.00 N ATOM 275 NH2 ARG A 38 -1.084 5.682 -1.058 1.00 0.00 N ATOM 0 H ARG A 38 -0.924 -1.772 -1.135 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.244 -1.206 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.505 0.621 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.205 0.310 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.707 2.047 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.641 0.898 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.098 1.722 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.695 2.294 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.225 3.679 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.577 3.849 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.554 5.490 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.064 5.668 -1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.584 6.511 -1.380 1.00 0.00 H new ATOM 276 N GLN A 39 -2.634 -3.321 1.192 1.00 0.00 N ATOM 277 CA GLN A 39 -3.516 -4.428 1.677 1.00 0.00 C ATOM 278 C GLN A 39 -2.710 -5.732 1.751 1.00 0.00 C ATOM 279 O GLN A 39 -1.577 -5.787 1.317 1.00 0.00 O ATOM 280 CB GLN A 39 -4.715 -4.585 0.759 1.00 0.00 C ATOM 281 CG GLN A 39 -5.958 -4.069 1.495 1.00 0.00 C ATOM 282 CD GLN A 39 -6.923 -5.230 1.751 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.670 -6.346 1.341 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.024 -5.013 2.418 1.00 0.00 N ATOM 0 H GLN A 39 -1.641 -3.551 1.158 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.884 -4.187 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.562 -4.026 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.846 -5.631 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.669 -3.609 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.450 -3.298 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.236 -4.076 2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.672 -5.780 2.595 1.00 0.00 H new ATOM 285 N ALA A 40 -3.267 -6.776 2.317 1.00 0.00 N ATOM 286 CA ALA A 40 -2.506 -8.054 2.422 1.00 0.00 C ATOM 287 C ALA A 40 -3.333 -9.097 3.193 1.00 0.00 C ATOM 288 O ALA A 40 -4.414 -8.802 3.665 1.00 0.00 O ATOM 289 CB ALA A 40 -1.199 -7.780 3.164 1.00 0.00 C ATOM 0 H ALA A 40 -4.209 -6.796 2.707 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.297 -8.444 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.629 -8.705 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.615 -7.044 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.420 -7.396 4.160 1.00 0.00 H new ATOM 290 N PRO A 41 -2.792 -10.291 3.299 1.00 0.00 N ATOM 291 CA PRO A 41 -3.445 -11.414 4.007 1.00 0.00 C ATOM 292 C PRO A 41 -3.281 -11.228 5.516 1.00 0.00 C ATOM 293 O PRO A 41 -2.447 -11.855 6.137 1.00 0.00 O ATOM 294 CB PRO A 41 -2.656 -12.640 3.532 1.00 0.00 C ATOM 295 CG PRO A 41 -1.279 -12.112 3.069 1.00 0.00 C ATOM 296 CD PRO A 41 -1.474 -10.629 2.723 1.00 0.00 C ATOM 0 HA PRO A 41 -4.513 -11.496 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.544 -13.367 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.174 -13.145 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.533 -12.232 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.921 -12.669 2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.683 -10.013 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.457 -10.466 1.645 1.00 0.00 H new ATOM 297 N GLY A 42 -4.035 -10.341 6.108 1.00 0.00 N ATOM 298 CA GLY A 42 -3.866 -10.097 7.568 1.00 0.00 C ATOM 299 C GLY A 42 -2.413 -9.736 7.819 1.00 0.00 C ATOM 300 O GLY A 42 -1.934 -9.749 8.937 1.00 0.00 O ATOM 0 H GLY A 42 -4.753 -9.781 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.521 -9.291 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.142 -10.985 8.137 1.00 0.00 H new ATOM 301 N LYS A 43 -1.717 -9.375 6.781 1.00 0.00 N ATOM 302 CA LYS A 43 -0.313 -8.966 6.934 1.00 0.00 C ATOM 303 C LYS A 43 -0.313 -7.450 6.996 1.00 0.00 C ATOM 304 O LYS A 43 0.688 -6.799 6.765 1.00 0.00 O ATOM 305 CB LYS A 43 0.492 -9.450 5.724 1.00 0.00 C ATOM 306 CG LYS A 43 1.897 -8.847 5.772 1.00 0.00 C ATOM 307 CD LYS A 43 2.933 -9.936 5.495 1.00 0.00 C ATOM 308 CE LYS A 43 3.714 -10.232 6.776 1.00 0.00 C ATOM 309 NZ LYS A 43 2.929 -11.167 7.632 1.00 0.00 N ATOM 0 H LYS A 43 -2.073 -9.348 5.825 1.00 0.00 H new ATOM 0 HA LYS A 43 0.138 -9.392 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.552 -10.538 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.009 -9.159 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.987 -8.050 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.078 -8.399 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.440 -10.841 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.614 -9.614 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.681 -10.671 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.911 -9.306 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.547 -11.567 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.146 -10.651 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.546 -11.936 7.046 1.00 0.00 H new ATOM 310 N GLU A 44 -1.449 -6.883 7.306 1.00 0.00 N ATOM 311 CA GLU A 44 -1.538 -5.414 7.383 1.00 0.00 C ATOM 312 C GLU A 44 -1.373 -4.851 5.972 1.00 0.00 C ATOM 313 O GLU A 44 -1.018 -5.566 5.055 1.00 0.00 O ATOM 314 CB GLU A 44 -0.430 -4.933 8.301 1.00 0.00 C ATOM 315 CG GLU A 44 -1.031 -4.116 9.443 1.00 0.00 C ATOM 316 CD GLU A 44 -0.196 -2.856 9.670 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.085 -2.172 8.700 1.00 0.00 O ATOM 318 OE2 GLU A 44 0.149 -2.597 10.811 1.00 0.00 O ATOM 0 H GLU A 44 -2.315 -7.383 7.508 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.498 -5.082 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.121 -5.785 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.282 -4.326 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.060 -3.844 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.060 -4.713 10.354 1.00 0.00 H new ATOM 319 N ARG A 45 -1.646 -3.594 5.770 1.00 0.00 N ATOM 320 CA ARG A 45 -1.518 -3.039 4.394 1.00 0.00 C ATOM 321 C ARG A 45 -0.146 -3.344 3.824 1.00 0.00 C ATOM 322 O ARG A 45 0.639 -4.082 4.382 1.00 0.00 O ATOM 323 CB ARG A 45 -1.682 -1.526 4.394 1.00 0.00 C ATOM 324 CG ARG A 45 -3.090 -1.169 3.932 1.00 0.00 C ATOM 325 CD ARG A 45 -3.492 0.185 4.520 1.00 0.00 C ATOM 326 NE ARG A 45 -3.410 0.128 6.006 1.00 0.00 N ATOM 327 CZ ARG A 45 -3.382 1.233 6.702 1.00 0.00 C ATOM 328 NH1 ARG A 45 -3.505 2.388 6.104 1.00 0.00 N ATOM 329 NH2 ARG A 45 -3.228 1.185 7.997 1.00 0.00 N ATOM 0 H ARG A 45 -1.948 -2.934 6.486 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.300 -3.501 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.504 -1.130 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.944 -1.069 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.128 -1.130 2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.794 -1.938 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.836 0.968 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.506 0.441 4.211 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.376 -0.774 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.623 2.428 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.483 3.250 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.129 0.285 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.206 2.048 8.540 1.00 0.00 H new ATOM 330 N GLU A 46 0.134 -2.756 2.702 1.00 0.00 N ATOM 331 CA GLU A 46 1.432 -2.962 2.035 1.00 0.00 C ATOM 332 C GLU A 46 1.398 -2.223 0.701 1.00 0.00 C ATOM 333 O GLU A 46 1.062 -2.794 -0.314 1.00 0.00 O ATOM 334 CB GLU A 46 1.632 -4.454 1.790 1.00 0.00 C ATOM 335 CG GLU A 46 3.128 -4.776 1.752 1.00 0.00 C ATOM 336 CD GLU A 46 3.740 -4.205 0.472 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.170 -4.425 -0.585 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.771 -3.559 0.569 1.00 0.00 O ATOM 0 H GLU A 46 -0.501 -2.127 2.211 1.00 0.00 H new ATOM 0 HA GLU A 46 2.249 -2.587 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.146 -5.030 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.164 -4.744 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.624 -4.353 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.280 -5.855 1.791 1.00 0.00 H new ATOM 339 N ILE A 47 1.726 -0.958 0.694 1.00 0.00 N ATOM 340 CA ILE A 47 1.703 -0.195 -0.586 1.00 0.00 C ATOM 341 C ILE A 47 2.759 -0.779 -1.511 1.00 0.00 C ATOM 342 O ILE A 47 3.550 -1.615 -1.124 1.00 0.00 O ATOM 343 CB ILE A 47 2.041 1.291 -0.328 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.498 2.172 -1.481 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.558 1.466 -0.213 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.617 2.581 -2.470 1.00 0.00 C ATOM 0 H ILE A 47 2.007 -0.423 1.516 1.00 0.00 H new ATOM 0 HA ILE A 47 0.711 -0.265 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 47 1.571 1.602 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.720 1.629 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.034 3.067 -1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.790 2.515 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.932 0.863 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.033 1.145 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.194 3.198 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.383 3.147 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.063 1.687 -2.905 1.00 0.00 H new ATOM 347 N VAL A 48 2.808 -0.310 -2.711 1.00 0.00 N ATOM 348 CA VAL A 48 3.849 -0.786 -3.635 1.00 0.00 C ATOM 349 C VAL A 48 4.363 0.403 -4.426 1.00 0.00 C ATOM 350 O VAL A 48 5.528 0.475 -4.745 1.00 0.00 O ATOM 351 CB VAL A 48 3.319 -1.856 -4.578 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.468 -2.329 -5.465 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.807 -3.040 -3.760 1.00 0.00 C ATOM 0 H VAL A 48 2.168 0.386 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 48 4.655 -1.240 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 48 2.509 -1.452 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.107 -3.097 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.856 -1.487 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.262 -2.741 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.426 -3.809 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.622 -3.450 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.007 -2.707 -3.099 1.00 0.00 H new ATOM 354 N SER A 49 3.539 1.372 -4.736 1.00 0.00 N ATOM 355 CA SER A 49 4.117 2.511 -5.484 1.00 0.00 C ATOM 356 C SER A 49 3.073 3.543 -5.879 1.00 0.00 C ATOM 357 O SER A 49 1.894 3.263 -5.997 1.00 0.00 O ATOM 358 CB SER A 49 4.809 1.980 -6.736 1.00 0.00 C ATOM 359 OG SER A 49 6.218 2.083 -6.576 1.00 0.00 O ATOM 0 H SER A 49 2.544 1.421 -4.515 1.00 0.00 H new ATOM 0 HA SER A 49 4.829 3.012 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.526 0.941 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.489 2.547 -7.610 1.00 0.00 H new ATOM 0 HG SER A 49 6.446 2.981 -6.257 1.00 0.00 H new ATOM 360 N ALA A 50 3.520 4.750 -6.082 1.00 0.00 N ATOM 361 CA ALA A 50 2.585 5.839 -6.477 1.00 0.00 C ATOM 362 C ALA A 50 3.365 6.990 -7.136 1.00 0.00 C ATOM 363 O ALA A 50 4.578 7.013 -7.123 1.00 0.00 O ATOM 364 CB ALA A 50 1.863 6.339 -5.228 1.00 0.00 C ATOM 0 H ALA A 50 4.497 5.030 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 50 1.858 5.461 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.174 7.138 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.306 5.518 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.593 6.719 -4.513 1.00 0.00 H new ATOM 365 N VAL A 51 2.676 7.944 -7.716 1.00 0.00 N ATOM 366 CA VAL A 51 3.374 9.088 -8.372 1.00 0.00 C ATOM 367 C VAL A 51 2.626 10.376 -8.027 1.00 0.00 C ATOM 368 O VAL A 51 1.736 10.803 -8.733 1.00 0.00 O ATOM 369 CB VAL A 51 3.377 8.890 -9.890 1.00 0.00 C ATOM 370 CG1 VAL A 51 4.267 7.700 -10.248 1.00 0.00 C ATOM 371 CG2 VAL A 51 1.947 8.623 -10.369 1.00 0.00 C ATOM 0 H VAL A 51 1.658 7.977 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 51 4.404 9.146 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 51 3.762 9.787 -10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.269 7.559 -11.329 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.284 7.890 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.884 6.801 -9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.946 8.482 -11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.563 7.725 -9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.313 9.472 -10.114 1.00 0.00 H new ATOM 372 N SER A 52 2.972 10.982 -6.932 1.00 0.00 N ATOM 373 CA SER A 52 2.272 12.232 -6.510 1.00 0.00 C ATOM 374 C SER A 52 2.732 13.425 -7.355 1.00 0.00 C ATOM 375 O SER A 52 3.899 13.574 -7.670 1.00 0.00 O ATOM 376 CB SER A 52 2.578 12.494 -5.037 1.00 0.00 C ATOM 377 OG SER A 52 2.804 13.884 -4.836 1.00 0.00 O ATOM 0 H SER A 52 3.712 10.668 -6.304 1.00 0.00 H new ATOM 0 HA SER A 52 1.199 12.107 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.747 12.157 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.456 11.925 -4.731 1.00 0.00 H new ATOM 0 HG SER A 52 2.999 14.050 -3.890 1.00 0.00 H new ATOM 378 N GLY A 53 1.809 14.281 -7.715 1.00 0.00 N ATOM 379 CA GLY A 53 2.156 15.478 -8.533 1.00 0.00 C ATOM 380 C GLY A 53 2.598 15.022 -9.917 1.00 0.00 C ATOM 381 O GLY A 53 2.412 13.878 -10.284 1.00 0.00 O ATOM 0 H GLY A 53 0.821 14.199 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.295 16.142 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.953 16.045 -8.051 1.00 0.00 H new ATOM 382 N SER A 54 3.200 15.894 -10.687 1.00 0.00 N ATOM 383 CA SER A 54 3.672 15.485 -12.040 1.00 0.00 C ATOM 384 C SER A 54 4.338 14.118 -11.915 1.00 0.00 C ATOM 385 O SER A 54 4.353 13.324 -12.836 1.00 0.00 O ATOM 386 CB SER A 54 4.691 16.503 -12.556 1.00 0.00 C ATOM 387 OG SER A 54 5.038 16.182 -13.896 1.00 0.00 O ATOM 0 H SER A 54 3.383 16.866 -10.437 1.00 0.00 H new ATOM 0 HA SER A 54 2.834 15.438 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.274 17.509 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.581 16.496 -11.926 1.00 0.00 H new ATOM 0 HG SER A 54 5.690 16.833 -14.230 1.00 0.00 H new ATOM 388 N GLY A 55 4.876 13.843 -10.760 1.00 0.00 N ATOM 389 CA GLY A 55 5.536 12.536 -10.521 1.00 0.00 C ATOM 390 C GLY A 55 6.744 12.749 -9.608 1.00 0.00 C ATOM 391 O GLY A 55 7.308 11.809 -9.085 1.00 0.00 O ATOM 0 H GLY A 55 4.885 14.479 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.835 11.839 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.852 12.095 -11.466 1.00 0.00 H new ATOM 392 N GLY A 56 7.138 13.981 -9.402 1.00 0.00 N ATOM 393 CA GLY A 56 8.299 14.250 -8.507 1.00 0.00 C ATOM 394 C GLY A 56 8.161 13.381 -7.260 1.00 0.00 C ATOM 395 O GLY A 56 9.118 12.811 -6.777 1.00 0.00 O ATOM 0 H GLY A 56 6.706 14.808 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.234 14.028 -9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.329 15.304 -8.232 1.00 0.00 H new ATOM 396 N SER A 57 6.964 13.254 -6.751 1.00 0.00 N ATOM 397 CA SER A 57 6.756 12.396 -5.556 1.00 0.00 C ATOM 398 C SER A 57 6.497 10.972 -6.043 1.00 0.00 C ATOM 399 O SER A 57 5.947 10.765 -7.108 1.00 0.00 O ATOM 400 CB SER A 57 5.558 12.905 -4.758 1.00 0.00 C ATOM 401 OG SER A 57 5.952 14.035 -3.991 1.00 0.00 O ATOM 0 H SER A 57 6.125 13.708 -7.113 1.00 0.00 H new ATOM 0 HA SER A 57 7.633 12.419 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.745 13.174 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.182 12.119 -4.103 1.00 0.00 H new ATOM 0 HG SER A 57 5.185 14.366 -3.478 1.00 0.00 H new ATOM 402 N THR A 58 6.891 9.985 -5.294 1.00 0.00 N ATOM 403 CA THR A 58 6.673 8.592 -5.750 1.00 0.00 C ATOM 404 C THR A 58 6.649 7.680 -4.541 1.00 0.00 C ATOM 405 O THR A 58 7.145 8.020 -3.485 1.00 0.00 O ATOM 406 CB THR A 58 7.813 8.173 -6.682 1.00 0.00 C ATOM 407 OG1 THR A 58 9.054 8.594 -6.130 1.00 0.00 O ATOM 408 CG2 THR A 58 7.617 8.821 -8.055 1.00 0.00 C ATOM 0 H THR A 58 7.353 10.083 -4.390 1.00 0.00 H new ATOM 0 HA THR A 58 5.727 8.523 -6.287 1.00 0.00 H new ATOM 0 HB THR A 58 7.813 7.088 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.785 8.325 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.429 8.522 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.666 8.497 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.616 9.906 -7.949 1.00 0.00 H new ATOM 409 N TYR A 59 6.080 6.526 -4.675 1.00 0.00 N ATOM 410 CA TYR A 59 6.036 5.613 -3.519 1.00 0.00 C ATOM 411 C TYR A 59 6.558 4.247 -3.916 1.00 0.00 C ATOM 412 O TYR A 59 6.574 3.887 -5.078 1.00 0.00 O ATOM 413 CB TYR A 59 4.627 5.520 -2.994 1.00 0.00 C ATOM 414 CG TYR A 59 4.672 5.829 -1.532 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.830 7.151 -1.104 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.571 4.795 -0.608 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.882 7.435 0.268 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.624 5.069 0.758 1.00 0.00 C ATOM 419 CZ TYR A 59 4.779 6.390 1.201 1.00 0.00 C ATOM 420 OH TYR A 59 4.831 6.667 2.552 1.00 0.00 O ATOM 0 H TYR A 59 5.646 6.178 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 59 6.673 6.004 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.976 6.223 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.220 4.523 -3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.912 7.949 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.451 3.777 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.001 8.454 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.546 4.264 1.474 1.00 0.00 H new ATOM 0 HH TYR A 59 4.744 5.834 3.060 1.00 0.00 H new ATOM 421 N TYR A 60 7.058 3.526 -2.946 1.00 0.00 N ATOM 422 CA TYR A 60 7.679 2.196 -3.199 1.00 0.00 C ATOM 423 C TYR A 60 7.450 1.272 -2.002 1.00 0.00 C ATOM 424 O TYR A 60 8.366 0.994 -1.254 1.00 0.00 O ATOM 425 CB TYR A 60 9.192 2.393 -3.336 1.00 0.00 C ATOM 426 CG TYR A 60 9.509 3.238 -4.542 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.148 4.587 -4.562 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.169 2.670 -5.632 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.443 5.374 -5.681 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.468 3.453 -6.751 1.00 0.00 C ATOM 431 CZ TYR A 60 10.106 4.807 -6.778 1.00 0.00 C ATOM 432 OH TYR A 60 10.398 5.578 -7.885 1.00 0.00 O ATOM 0 H TYR A 60 7.061 3.812 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 60 7.241 1.762 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.585 2.869 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.684 1.424 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.641 5.023 -3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.449 1.627 -5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.160 6.416 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.978 3.014 -7.596 1.00 0.00 H new ATOM 0 HH TYR A 60 10.860 5.030 -8.553 1.00 0.00 H new ATOM 433 N ALA A 61 6.261 0.788 -1.795 1.00 0.00 N ATOM 434 CA ALA A 61 6.047 -0.110 -0.624 1.00 0.00 C ATOM 435 C ALA A 61 6.621 0.564 0.626 1.00 0.00 C ATOM 436 O ALA A 61 6.862 1.754 0.640 1.00 0.00 O ATOM 437 CB ALA A 61 6.769 -1.438 -0.861 1.00 0.00 C ATOM 0 H ALA A 61 5.440 0.969 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 61 4.982 -0.298 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.613 -2.095 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.373 -1.912 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.836 -1.255 -0.988 1.00 0.00 H new ATOM 438 N ASP A 62 6.850 -0.181 1.674 1.00 0.00 N ATOM 439 CA ASP A 62 7.415 0.433 2.909 1.00 0.00 C ATOM 440 C ASP A 62 8.854 -0.053 3.112 1.00 0.00 C ATOM 441 O ASP A 62 9.633 0.565 3.811 1.00 0.00 O ATOM 442 CB ASP A 62 6.565 0.028 4.116 1.00 0.00 C ATOM 443 CG ASP A 62 6.367 -1.488 4.112 1.00 0.00 C ATOM 444 OD1 ASP A 62 7.199 -2.174 3.542 1.00 0.00 O ATOM 445 OD2 ASP A 62 5.384 -1.939 4.679 1.00 0.00 O ATOM 0 H ASP A 62 6.671 -1.184 1.728 1.00 0.00 H new ATOM 0 HA ASP A 62 7.410 1.518 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.053 0.340 5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.599 0.532 4.080 1.00 0.00 H new ATOM 446 N SER A 63 9.214 -1.155 2.509 1.00 0.00 N ATOM 447 CA SER A 63 10.602 -1.677 2.674 1.00 0.00 C ATOM 448 C SER A 63 11.250 -1.853 1.304 1.00 0.00 C ATOM 449 O SER A 63 12.324 -2.409 1.182 1.00 0.00 O ATOM 450 CB SER A 63 10.559 -3.035 3.368 1.00 0.00 C ATOM 451 OG SER A 63 9.236 -3.294 3.820 1.00 0.00 O ATOM 0 H SER A 63 8.608 -1.716 1.910 1.00 0.00 H new ATOM 0 HA SER A 63 11.178 -0.970 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.879 -3.817 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.251 -3.047 4.210 1.00 0.00 H new ATOM 0 HG SER A 63 8.801 -2.449 4.060 1.00 0.00 H new ATOM 452 N VAL A 64 10.609 -1.392 0.272 1.00 0.00 N ATOM 453 CA VAL A 64 11.193 -1.545 -1.085 1.00 0.00 C ATOM 454 C VAL A 64 11.521 -0.161 -1.637 1.00 0.00 C ATOM 455 O VAL A 64 11.525 0.061 -2.831 1.00 0.00 O ATOM 456 CB VAL A 64 10.202 -2.249 -2.020 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.974 -3.209 -2.925 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.173 -3.048 -1.209 1.00 0.00 C ATOM 0 H VAL A 64 9.707 -0.916 0.308 1.00 0.00 H new ATOM 0 HA VAL A 64 12.098 -2.150 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 64 9.679 -1.499 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.279 -3.716 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.702 -2.649 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.493 -3.948 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.478 -3.541 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.687 -3.798 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.623 -2.373 -0.554 1.00 0.00 H new ATOM 459 N LYS A 65 11.793 0.772 -0.770 1.00 0.00 N ATOM 460 CA LYS A 65 12.122 2.149 -1.230 1.00 0.00 C ATOM 461 C LYS A 65 13.302 2.092 -2.202 1.00 0.00 C ATOM 462 O LYS A 65 14.429 1.859 -1.813 1.00 0.00 O ATOM 463 CB LYS A 65 12.497 3.007 -0.020 1.00 0.00 C ATOM 464 CG LYS A 65 13.745 2.428 0.650 1.00 0.00 C ATOM 465 CD LYS A 65 13.498 2.271 2.152 1.00 0.00 C ATOM 466 CE LYS A 65 13.114 0.822 2.459 1.00 0.00 C ATOM 467 NZ LYS A 65 13.383 0.531 3.897 1.00 0.00 N ATOM 0 H LYS A 65 11.802 0.640 0.241 1.00 0.00 H new ATOM 0 HA LYS A 65 11.259 2.585 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.683 4.034 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.670 3.035 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.991 1.462 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.599 3.083 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.393 2.547 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.703 2.944 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.060 0.658 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.684 0.142 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.122 -0.454 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.394 0.671 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.821 1.172 4.492 1.00 0.00 H new ATOM 468 N GLY A 66 13.055 2.304 -3.466 1.00 0.00 N ATOM 469 CA GLY A 66 14.165 2.261 -4.461 1.00 0.00 C ATOM 470 C GLY A 66 14.150 0.914 -5.187 1.00 0.00 C ATOM 471 O GLY A 66 14.505 0.817 -6.344 1.00 0.00 O ATOM 0 H GLY A 66 12.133 2.505 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.055 3.074 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.122 2.405 -3.960 1.00 0.00 H new ATOM 472 N ARG A 67 13.739 -0.127 -4.514 1.00 0.00 N ATOM 473 CA ARG A 67 13.696 -1.470 -5.160 1.00 0.00 C ATOM 474 C ARG A 67 12.292 -1.717 -5.712 1.00 0.00 C ATOM 475 O ARG A 67 11.933 -2.827 -6.050 1.00 0.00 O ATOM 476 CB ARG A 67 14.032 -2.545 -4.124 1.00 0.00 C ATOM 477 CG ARG A 67 15.238 -3.356 -4.604 1.00 0.00 C ATOM 478 CD ARG A 67 15.896 -4.047 -3.410 1.00 0.00 C ATOM 479 NE ARG A 67 17.375 -3.890 -3.503 1.00 0.00 N ATOM 480 CZ ARG A 67 17.919 -2.719 -3.313 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.914 -2.180 -2.123 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.469 -2.084 -4.313 1.00 0.00 N ATOM 0 H ARG A 67 13.430 -0.105 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 67 14.422 -1.510 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.251 -2.082 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.175 -3.202 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.922 -4.097 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.955 -2.702 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.531 -3.615 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.631 -5.104 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 67 17.962 -4.697 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.485 -2.674 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.340 -1.265 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.473 -2.503 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.894 -1.169 -4.164 1.00 0.00 H new ATOM 483 N PHE A 68 11.503 -0.685 -5.811 1.00 0.00 N ATOM 484 CA PHE A 68 10.120 -0.839 -6.344 1.00 0.00 C ATOM 485 C PHE A 68 9.950 0.150 -7.495 1.00 0.00 C ATOM 486 O PHE A 68 10.809 0.973 -7.729 1.00 0.00 O ATOM 487 CB PHE A 68 9.118 -0.509 -5.235 1.00 0.00 C ATOM 488 CG PHE A 68 8.465 -1.762 -4.694 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.033 -3.023 -4.913 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.279 -1.653 -3.961 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.412 -4.166 -4.399 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.660 -2.796 -3.449 1.00 0.00 C ATOM 493 CZ PHE A 68 7.225 -4.050 -3.668 1.00 0.00 C ATOM 0 H PHE A 68 11.758 0.266 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 68 9.949 -1.858 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.627 0.017 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.353 0.165 -5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.949 -3.113 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.840 -0.681 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.849 -5.139 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.744 -2.707 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.746 -4.934 -3.273 1.00 0.00 H new ATOM 494 N THR A 69 8.876 0.086 -8.234 1.00 0.00 N ATOM 495 CA THR A 69 8.735 1.054 -9.360 1.00 0.00 C ATOM 496 C THR A 69 7.269 1.243 -9.764 1.00 0.00 C ATOM 497 O THR A 69 6.552 0.295 -10.027 1.00 0.00 O ATOM 498 CB THR A 69 9.514 0.527 -10.559 1.00 0.00 C ATOM 499 OG1 THR A 69 9.626 1.548 -11.541 1.00 0.00 O ATOM 500 CG2 THR A 69 8.774 -0.671 -11.142 1.00 0.00 C ATOM 0 H THR A 69 8.109 -0.575 -8.113 1.00 0.00 H new ATOM 0 HA THR A 69 9.123 2.018 -9.033 1.00 0.00 H new ATOM 0 HB THR A 69 10.513 0.224 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.129 1.208 -12.311 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.324 -1.055 -12.001 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.691 -1.451 -10.385 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.777 -0.364 -11.457 1.00 0.00 H new ATOM 501 N ILE A 70 6.841 2.474 -9.858 1.00 0.00 N ATOM 502 CA ILE A 70 5.445 2.770 -10.292 1.00 0.00 C ATOM 503 C ILE A 70 5.406 2.709 -11.820 1.00 0.00 C ATOM 504 O ILE A 70 5.415 3.726 -12.486 1.00 0.00 O ATOM 505 CB ILE A 70 5.063 4.174 -9.835 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.704 4.558 -10.427 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.125 5.147 -10.326 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.720 3.401 -10.248 1.00 0.00 C ATOM 0 H ILE A 70 7.407 3.297 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 70 4.749 2.050 -9.861 1.00 0.00 H new ATOM 0 HB ILE A 70 4.997 4.207 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.322 5.453 -9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.811 4.797 -11.485 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.868 6.157 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.093 4.870 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.176 5.111 -11.414 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.754 3.677 -10.670 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.101 2.517 -10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.603 3.183 -9.186 1.00 0.00 H new ATOM 509 N SER A 71 5.374 1.533 -12.389 1.00 0.00 N ATOM 510 CA SER A 71 5.352 1.440 -13.877 1.00 0.00 C ATOM 511 C SER A 71 4.053 2.061 -14.381 1.00 0.00 C ATOM 512 O SER A 71 3.043 2.008 -13.710 1.00 0.00 O ATOM 513 CB SER A 71 5.437 -0.026 -14.303 1.00 0.00 C ATOM 514 OG SER A 71 6.803 -0.406 -14.405 1.00 0.00 O ATOM 0 H SER A 71 5.362 0.642 -11.893 1.00 0.00 H new ATOM 0 HA SER A 71 6.203 1.973 -14.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.925 -0.658 -13.577 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.935 -0.168 -15.260 1.00 0.00 H new ATOM 0 HG SER A 71 6.898 -1.103 -15.087 1.00 0.00 H new ATOM 515 N ARG A 72 4.057 2.668 -15.539 1.00 0.00 N ATOM 516 CA ARG A 72 2.794 3.293 -16.013 1.00 0.00 C ATOM 517 C ARG A 72 2.578 3.069 -17.520 1.00 0.00 C ATOM 518 O ARG A 72 3.511 2.960 -18.291 1.00 0.00 O ATOM 519 CB ARG A 72 2.809 4.793 -15.653 1.00 0.00 C ATOM 520 CG ARG A 72 2.834 5.681 -16.907 1.00 0.00 C ATOM 521 CD ARG A 72 1.409 5.853 -17.435 1.00 0.00 C ATOM 522 NE ARG A 72 1.175 7.287 -17.770 1.00 0.00 N ATOM 523 CZ ARG A 72 1.932 7.886 -18.651 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.810 7.203 -19.336 1.00 0.00 N ATOM 525 NH2 ARG A 72 1.807 9.170 -18.852 1.00 0.00 N ATOM 0 H ARG A 72 4.860 2.756 -16.162 1.00 0.00 H new ATOM 0 HA ARG A 72 1.951 2.817 -15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.929 5.032 -15.056 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.681 5.010 -15.037 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.265 6.653 -16.669 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.466 5.231 -17.673 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.259 5.233 -18.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.689 5.521 -16.687 1.00 0.00 H new ATOM 0 HE ARG A 72 0.423 7.801 -17.311 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.906 6.199 -19.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.399 7.674 -20.023 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.119 9.705 -18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.397 9.638 -19.539 1.00 0.00 H new ATOM 526 N ASP A 73 1.332 3.026 -17.932 1.00 0.00 N ATOM 527 CA ASP A 73 1.003 2.837 -19.372 1.00 0.00 C ATOM 528 C ASP A 73 -0.040 3.896 -19.764 1.00 0.00 C ATOM 529 O ASP A 73 -1.235 3.734 -19.544 1.00 0.00 O ATOM 530 CB ASP A 73 0.451 1.427 -19.606 1.00 0.00 C ATOM 531 CG ASP A 73 1.362 0.400 -18.933 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.779 0.648 -17.815 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.630 -0.619 -19.549 1.00 0.00 O ATOM 0 H ASP A 73 0.522 3.116 -17.319 1.00 0.00 H new ATOM 0 HA ASP A 73 1.898 2.951 -19.984 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.559 1.350 -19.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.385 1.224 -20.675 1.00 0.00 H new ATOM 534 N ASN A 74 0.431 4.991 -20.313 1.00 0.00 N ATOM 535 CA ASN A 74 -0.454 6.130 -20.713 1.00 0.00 C ATOM 536 C ASN A 74 -1.583 5.679 -21.646 1.00 0.00 C ATOM 537 O ASN A 74 -2.735 5.628 -21.263 1.00 0.00 O ATOM 538 CB ASN A 74 0.391 7.163 -21.455 1.00 0.00 C ATOM 539 CG ASN A 74 -0.477 8.368 -21.825 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.814 9.170 -20.977 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.854 8.530 -23.063 1.00 0.00 N ATOM 0 H ASN A 74 1.421 5.145 -20.505 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.900 6.544 -19.809 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.225 7.482 -20.830 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.818 6.720 -22.355 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.432 9.330 -23.320 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.571 7.856 -23.775 1.00 0.00 H new ATOM 542 N SER A 75 -1.269 5.391 -22.884 1.00 0.00 N ATOM 543 CA SER A 75 -2.331 4.986 -23.855 1.00 0.00 C ATOM 544 C SER A 75 -2.707 3.513 -23.669 1.00 0.00 C ATOM 545 O SER A 75 -3.001 2.817 -24.621 1.00 0.00 O ATOM 546 CB SER A 75 -1.829 5.208 -25.282 1.00 0.00 C ATOM 547 OG SER A 75 -0.598 4.518 -25.461 1.00 0.00 O ATOM 0 H SER A 75 -0.323 5.419 -23.264 1.00 0.00 H new ATOM 0 HA SER A 75 -3.217 5.595 -23.674 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.567 4.850 -25.999 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.693 6.273 -25.470 1.00 0.00 H new ATOM 0 HG SER A 75 -0.275 4.657 -26.376 1.00 0.00 H new ATOM 548 N LYS A 76 -2.711 3.035 -22.457 1.00 0.00 N ATOM 549 CA LYS A 76 -3.079 1.618 -22.216 1.00 0.00 C ATOM 550 C LYS A 76 -4.215 1.562 -21.189 1.00 0.00 C ATOM 551 O LYS A 76 -4.791 0.521 -20.944 1.00 0.00 O ATOM 552 CB LYS A 76 -1.865 0.873 -21.672 1.00 0.00 C ATOM 553 CG LYS A 76 -0.716 0.946 -22.685 1.00 0.00 C ATOM 554 CD LYS A 76 -0.101 2.352 -22.683 1.00 0.00 C ATOM 555 CE LYS A 76 1.426 2.242 -22.726 1.00 0.00 C ATOM 556 NZ LYS A 76 1.917 2.723 -24.048 1.00 0.00 N ATOM 0 H LYS A 76 -2.474 3.569 -21.621 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.405 1.155 -23.147 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.554 1.309 -20.723 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.123 -0.167 -21.475 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.046 0.207 -22.437 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.083 0.703 -23.682 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.460 2.919 -23.542 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.412 2.895 -21.791 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.867 2.834 -21.924 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.732 1.208 -22.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.954 2.650 -24.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.505 2.140 -24.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.636 3.715 -24.183 1.00 0.00 H new ATOM 557 N ASN A 77 -4.541 2.680 -20.590 1.00 0.00 N ATOM 558 CA ASN A 77 -5.627 2.711 -19.589 1.00 0.00 C ATOM 559 C ASN A 77 -5.130 2.153 -18.260 1.00 0.00 C ATOM 560 O ASN A 77 -5.910 1.667 -17.466 1.00 0.00 O ATOM 561 CB ASN A 77 -6.819 1.884 -20.080 1.00 0.00 C ATOM 562 CG ASN A 77 -7.083 2.191 -21.554 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.732 1.413 -22.420 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.690 3.299 -21.878 1.00 0.00 N ATOM 0 H ASN A 77 -4.090 3.579 -20.761 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.942 3.745 -19.448 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.615 0.821 -19.950 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.704 2.114 -19.486 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.871 3.514 -22.859 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.984 3.951 -21.151 1.00 0.00 H new ATOM 565 N THR A 78 -3.854 2.227 -17.973 1.00 0.00 N ATOM 566 CA THR A 78 -3.414 1.701 -16.657 1.00 0.00 C ATOM 567 C THR A 78 -1.911 1.863 -16.469 1.00 0.00 C ATOM 568 O THR A 78 -1.168 2.061 -17.402 1.00 0.00 O ATOM 569 CB THR A 78 -3.781 0.224 -16.586 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.071 -0.389 -15.524 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.418 -0.448 -17.910 1.00 0.00 C ATOM 0 H THR A 78 -3.125 2.615 -18.572 1.00 0.00 H new ATOM 0 HA THR A 78 -3.910 2.263 -15.865 1.00 0.00 H new ATOM 0 HB THR A 78 -4.851 0.118 -16.408 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.706 -0.732 -14.861 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.679 -1.505 -17.865 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.969 0.027 -18.722 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.348 -0.345 -18.089 1.00 0.00 H new ATOM 572 N LEU A 79 -1.467 1.760 -15.249 1.00 0.00 N ATOM 573 CA LEU A 79 -0.013 1.881 -14.958 1.00 0.00 C ATOM 574 C LEU A 79 0.424 0.604 -14.243 1.00 0.00 C ATOM 575 O LEU A 79 -0.330 0.028 -13.510 1.00 0.00 O ATOM 576 CB LEU A 79 0.244 3.109 -14.079 1.00 0.00 C ATOM 577 CG LEU A 79 -0.658 3.053 -12.855 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.085 3.951 -11.758 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.058 3.533 -13.240 1.00 0.00 C ATOM 0 H LEU A 79 -2.056 1.595 -14.433 1.00 0.00 H new ATOM 0 HA LEU A 79 0.557 2.007 -15.879 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.290 3.138 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.052 4.021 -14.644 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.715 2.029 -12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.731 3.911 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.913 3.605 -11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.028 4.977 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.709 3.495 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.003 4.558 -13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.461 2.889 -14.021 1.00 0.00 H new ATOM 580 N TYR A 80 1.608 0.119 -14.485 1.00 0.00 N ATOM 581 CA TYR A 80 2.009 -1.169 -13.848 1.00 0.00 C ATOM 582 C TYR A 80 2.863 -0.945 -12.604 1.00 0.00 C ATOM 583 O TYR A 80 3.145 0.169 -12.210 1.00 0.00 O ATOM 584 CB TYR A 80 2.786 -2.004 -14.869 1.00 0.00 C ATOM 585 CG TYR A 80 1.886 -2.413 -16.027 1.00 0.00 C ATOM 586 CD1 TYR A 80 1.002 -1.492 -16.628 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.952 -3.725 -16.514 1.00 0.00 C ATOM 588 CE1 TYR A 80 0.198 -1.892 -17.701 1.00 0.00 C ATOM 589 CE2 TYR A 80 1.146 -4.120 -17.590 1.00 0.00 C ATOM 590 CZ TYR A 80 0.271 -3.203 -18.184 1.00 0.00 C ATOM 591 OH TYR A 80 -0.522 -3.594 -19.243 1.00 0.00 O ATOM 0 H TYR A 80 2.309 0.550 -15.088 1.00 0.00 H new ATOM 0 HA TYR A 80 1.107 -1.694 -13.533 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.633 -1.431 -15.245 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.192 -2.893 -14.386 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.946 -0.478 -16.260 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.627 -4.435 -16.058 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.481 -1.187 -18.158 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.200 -5.133 -17.961 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.346 -4.535 -19.453 1.00 0.00 H new ATOM 592 N LEU A 81 3.251 -2.021 -11.972 1.00 0.00 N ATOM 593 CA LEU A 81 4.063 -1.924 -10.731 1.00 0.00 C ATOM 594 C LEU A 81 5.100 -3.038 -10.693 1.00 0.00 C ATOM 595 O LEU A 81 4.774 -4.177 -10.419 1.00 0.00 O ATOM 596 CB LEU A 81 3.160 -2.133 -9.501 1.00 0.00 C ATOM 597 CG LEU A 81 2.582 -0.814 -8.985 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.356 -0.943 -7.473 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.546 0.344 -9.207 1.00 0.00 C ATOM 0 H LEU A 81 3.036 -2.973 -12.269 1.00 0.00 H new ATOM 0 HA LEU A 81 4.538 -0.943 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.345 -2.809 -9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.733 -2.613 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 81 1.656 -0.615 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.944 -0.011 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.658 -1.757 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.305 -1.152 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.102 1.265 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.479 0.147 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.748 0.450 -10.273 1.00 0.00 H new ATOM 600 N GLN A 82 6.346 -2.729 -10.888 1.00 0.00 N ATOM 601 CA GLN A 82 7.364 -3.798 -10.768 1.00 0.00 C ATOM 602 C GLN A 82 7.761 -3.817 -9.297 1.00 0.00 C ATOM 603 O GLN A 82 8.403 -2.904 -8.806 1.00 0.00 O ATOM 604 CB GLN A 82 8.583 -3.509 -11.648 1.00 0.00 C ATOM 605 CG GLN A 82 8.141 -2.788 -12.923 1.00 0.00 C ATOM 606 CD GLN A 82 7.351 -3.754 -13.807 1.00 0.00 C ATOM 607 OE1 GLN A 82 7.835 -4.814 -14.151 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.146 -3.432 -14.190 1.00 0.00 N ATOM 0 H GLN A 82 6.699 -1.801 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 82 6.969 -4.758 -11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.300 -2.896 -11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.089 -4.440 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.526 -1.924 -12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.011 -2.414 -13.462 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.740 -2.542 -13.901 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.610 -4.070 -14.778 1.00 0.00 H new ATOM 609 N MET A 83 7.339 -4.813 -8.568 1.00 0.00 N ATOM 610 CA MET A 83 7.662 -4.832 -7.114 1.00 0.00 C ATOM 611 C MET A 83 8.193 -6.206 -6.714 1.00 0.00 C ATOM 612 O MET A 83 7.492 -7.197 -6.766 1.00 0.00 O ATOM 613 CB MET A 83 6.401 -4.499 -6.296 1.00 0.00 C ATOM 614 CG MET A 83 5.145 -4.696 -7.145 1.00 0.00 C ATOM 615 SD MET A 83 3.798 -5.250 -6.079 1.00 0.00 S ATOM 616 CE MET A 83 2.508 -4.190 -6.773 1.00 0.00 C ATOM 0 H MET A 83 6.792 -5.604 -8.910 1.00 0.00 H new ATOM 0 HA MET A 83 8.429 -4.084 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.354 -5.137 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.451 -3.469 -5.943 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.875 -3.763 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.331 -5.430 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.113 -3.539 -5.993 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.928 -3.583 -7.574 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.703 -4.809 -7.171 1.00 0.00 H new ATOM 617 N ASN A 84 9.428 -6.267 -6.306 1.00 0.00 N ATOM 618 CA ASN A 84 10.015 -7.566 -5.891 1.00 0.00 C ATOM 619 C ASN A 84 10.131 -7.611 -4.366 1.00 0.00 C ATOM 620 O ASN A 84 9.429 -6.921 -3.654 1.00 0.00 O ATOM 621 CB ASN A 84 11.404 -7.720 -6.512 1.00 0.00 C ATOM 622 CG ASN A 84 11.332 -7.429 -8.013 1.00 0.00 C ATOM 623 OD1 ASN A 84 10.499 -6.662 -8.456 1.00 0.00 O ATOM 624 ND2 ASN A 84 12.176 -8.012 -8.819 1.00 0.00 N ATOM 0 H ASN A 84 10.058 -5.468 -6.242 1.00 0.00 H new ATOM 0 HA ASN A 84 9.373 -8.379 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.105 -7.037 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.778 -8.730 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.137 -7.824 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.875 -8.655 -8.447 1.00 0.00 H new ATOM 625 N SER A 85 11.016 -8.424 -3.863 1.00 0.00 N ATOM 626 CA SER A 85 11.194 -8.533 -2.383 1.00 0.00 C ATOM 627 C SER A 85 10.039 -9.332 -1.752 1.00 0.00 C ATOM 628 O SER A 85 10.078 -9.664 -0.584 1.00 0.00 O ATOM 629 CB SER A 85 11.234 -7.130 -1.774 1.00 0.00 C ATOM 630 OG SER A 85 11.805 -7.198 -0.474 1.00 0.00 O ATOM 0 H SER A 85 11.630 -9.023 -4.415 1.00 0.00 H new ATOM 0 HA SER A 85 12.129 -9.055 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.820 -6.463 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.227 -6.716 -1.720 1.00 0.00 H new ATOM 0 HG SER A 85 11.465 -7.990 -0.008 1.00 0.00 H new ATOM 631 N LEU A 86 9.016 -9.650 -2.506 1.00 0.00 N ATOM 632 CA LEU A 86 7.876 -10.432 -1.932 1.00 0.00 C ATOM 633 C LEU A 86 8.286 -11.904 -1.828 1.00 0.00 C ATOM 634 O LEU A 86 9.282 -12.309 -2.391 1.00 0.00 O ATOM 635 CB LEU A 86 6.661 -10.301 -2.853 1.00 0.00 C ATOM 636 CG LEU A 86 6.086 -8.888 -2.751 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.431 -8.104 -4.020 1.00 0.00 C ATOM 638 CD2 LEU A 86 4.565 -8.966 -2.602 1.00 0.00 C ATOM 0 H LEU A 86 8.920 -9.403 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 86 7.622 -10.051 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.949 -10.513 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.903 -11.033 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 86 6.513 -8.385 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.021 -7.097 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.514 -8.048 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.004 -8.608 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.154 -7.959 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.140 -9.469 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.316 -9.525 -1.700 1.00 0.00 H new ATOM 639 N ARG A 87 7.539 -12.721 -1.121 1.00 0.00 N ATOM 640 CA ARG A 87 7.940 -14.155 -1.021 1.00 0.00 C ATOM 641 C ARG A 87 6.732 -15.064 -0.776 1.00 0.00 C ATOM 642 O ARG A 87 5.722 -14.657 -0.240 1.00 0.00 O ATOM 643 CB ARG A 87 8.936 -14.319 0.125 1.00 0.00 C ATOM 644 CG ARG A 87 8.207 -14.137 1.456 1.00 0.00 C ATOM 645 CD ARG A 87 7.724 -12.691 1.579 1.00 0.00 C ATOM 646 NE ARG A 87 7.852 -12.240 2.993 1.00 0.00 N ATOM 647 CZ ARG A 87 8.400 -11.086 3.260 1.00 0.00 C ATOM 648 NH1 ARG A 87 7.977 -10.010 2.656 1.00 0.00 N ATOM 649 NH2 ARG A 87 9.370 -11.009 4.129 1.00 0.00 N ATOM 0 H ARG A 87 6.689 -12.462 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 87 8.395 -14.447 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.398 -15.305 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.738 -13.587 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.360 -14.821 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.873 -14.381 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.310 -12.044 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.686 -12.615 1.255 1.00 0.00 H new ATOM 0 HE ARG A 87 7.512 -12.832 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.219 -10.071 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.404 -9.107 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.701 -11.851 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.798 -10.107 4.337 1.00 0.00 H new ATOM 650 N ALA A 88 6.857 -16.309 -1.163 1.00 0.00 N ATOM 651 CA ALA A 88 5.759 -17.301 -0.966 1.00 0.00 C ATOM 652 C ALA A 88 5.292 -17.249 0.480 1.00 0.00 C ATOM 653 O ALA A 88 4.197 -17.652 0.818 1.00 0.00 O ATOM 654 CB ALA A 88 6.309 -18.694 -1.253 1.00 0.00 C ATOM 0 H ALA A 88 7.690 -16.685 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 88 4.926 -17.074 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.520 -19.433 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.670 -18.738 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.131 -18.908 -0.570 1.00 0.00 H new ATOM 655 N GLU A 89 6.148 -16.789 1.337 1.00 0.00 N ATOM 656 CA GLU A 89 5.825 -16.734 2.782 1.00 0.00 C ATOM 657 C GLU A 89 4.945 -15.525 3.141 1.00 0.00 C ATOM 658 O GLU A 89 4.829 -15.185 4.301 1.00 0.00 O ATOM 659 CB GLU A 89 7.143 -16.647 3.547 1.00 0.00 C ATOM 660 CG GLU A 89 7.294 -17.878 4.441 1.00 0.00 C ATOM 661 CD GLU A 89 6.066 -18.007 5.344 1.00 0.00 C ATOM 662 OE1 GLU A 89 5.109 -18.634 4.923 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.105 -17.476 6.442 1.00 0.00 O ATOM 0 H GLU A 89 7.076 -16.442 1.093 1.00 0.00 H new ATOM 0 HA GLU A 89 5.261 -17.627 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.978 -16.586 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.166 -15.740 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.404 -18.773 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.196 -17.792 5.046 1.00 0.00 H new ATOM 664 N ASP A 90 4.306 -14.869 2.199 1.00 0.00 N ATOM 665 CA ASP A 90 3.447 -13.714 2.609 1.00 0.00 C ATOM 666 C ASP A 90 2.894 -12.951 1.402 1.00 0.00 C ATOM 667 O ASP A 90 3.164 -11.779 1.232 1.00 0.00 O ATOM 668 CB ASP A 90 4.267 -12.746 3.463 1.00 0.00 C ATOM 669 CG ASP A 90 3.864 -12.892 4.932 1.00 0.00 C ATOM 670 OD1 ASP A 90 2.682 -13.052 5.189 1.00 0.00 O ATOM 671 OD2 ASP A 90 4.744 -12.842 5.775 1.00 0.00 O ATOM 0 H ASP A 90 4.339 -15.074 1.200 1.00 0.00 H new ATOM 0 HA ASP A 90 2.607 -14.117 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.331 -12.952 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.102 -11.721 3.130 1.00 0.00 H new ATOM 672 N THR A 91 2.096 -13.577 0.582 1.00 0.00 N ATOM 673 CA THR A 91 1.518 -12.835 -0.569 1.00 0.00 C ATOM 674 C THR A 91 0.878 -11.550 -0.030 1.00 0.00 C ATOM 675 O THR A 91 0.726 -11.386 1.164 1.00 0.00 O ATOM 676 CB THR A 91 0.478 -13.711 -1.270 1.00 0.00 C ATOM 677 OG1 THR A 91 -0.220 -12.942 -2.238 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.517 -14.271 -0.256 1.00 0.00 C ATOM 0 H THR A 91 1.823 -14.557 0.658 1.00 0.00 H new ATOM 0 HA THR A 91 2.289 -12.580 -1.296 1.00 0.00 H new ATOM 0 HB THR A 91 0.992 -14.539 -1.758 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.417 -12.391 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.250 -14.892 -0.771 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.015 -14.873 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.027 -13.449 0.246 1.00 0.00 H new ATOM 679 N ALA A 92 0.526 -10.621 -0.879 1.00 0.00 N ATOM 680 CA ALA A 92 -0.068 -9.346 -0.363 1.00 0.00 C ATOM 681 C ALA A 92 -1.329 -8.959 -1.144 1.00 0.00 C ATOM 682 O ALA A 92 -1.695 -9.591 -2.110 1.00 0.00 O ATOM 683 CB ALA A 92 0.963 -8.224 -0.495 1.00 0.00 C ATOM 0 H ALA A 92 0.621 -10.684 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.343 -9.496 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.537 -7.293 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.851 -8.476 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.237 -8.103 -1.543 1.00 0.00 H new ATOM 684 N VAL A 93 -1.978 -7.897 -0.731 1.00 0.00 N ATOM 685 CA VAL A 93 -3.206 -7.421 -1.435 1.00 0.00 C ATOM 686 C VAL A 93 -3.074 -5.904 -1.590 1.00 0.00 C ATOM 687 O VAL A 93 -2.565 -5.239 -0.718 1.00 0.00 O ATOM 688 CB VAL A 93 -4.447 -7.785 -0.620 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.691 -7.212 -1.301 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.570 -9.309 -0.548 1.00 0.00 C ATOM 0 H VAL A 93 -1.704 -7.334 0.074 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.311 -7.891 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.359 -7.372 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.576 -7.472 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.604 -6.127 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.781 -7.628 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.453 -9.576 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.661 -9.715 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.683 -9.723 -0.069 1.00 0.00 H new ATOM 691 N TYR A 94 -3.474 -5.354 -2.702 1.00 0.00 N ATOM 692 CA TYR A 94 -3.286 -3.885 -2.905 1.00 0.00 C ATOM 693 C TYR A 94 -4.609 -3.200 -3.291 1.00 0.00 C ATOM 694 O TYR A 94 -5.582 -3.844 -3.617 1.00 0.00 O ATOM 695 CB TYR A 94 -2.286 -3.709 -4.051 1.00 0.00 C ATOM 696 CG TYR A 94 -1.000 -4.450 -3.760 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.565 -4.645 -2.443 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.240 -4.935 -4.822 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.632 -5.323 -2.192 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.956 -5.614 -4.573 1.00 0.00 C ATOM 701 CZ TYR A 94 1.394 -5.810 -3.257 1.00 0.00 C ATOM 702 OH TYR A 94 2.575 -6.482 -3.013 1.00 0.00 O ATOM 0 H TYR A 94 -3.919 -5.850 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.930 -3.432 -1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.722 -4.078 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.076 -2.649 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.155 -4.271 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.575 -4.786 -5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.967 -5.470 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.544 -5.989 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 94 3.202 -6.318 -3.748 1.00 0.00 H new ATOM 703 N TYR A 95 -4.642 -1.885 -3.267 1.00 0.00 N ATOM 704 CA TYR A 95 -5.889 -1.149 -3.646 1.00 0.00 C ATOM 705 C TYR A 95 -5.518 0.201 -4.267 1.00 0.00 C ATOM 706 O TYR A 95 -4.852 1.012 -3.654 1.00 0.00 O ATOM 707 CB TYR A 95 -6.750 -0.913 -2.407 1.00 0.00 C ATOM 708 CG TYR A 95 -7.399 -2.209 -2.008 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.636 -3.194 -1.381 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.754 -2.429 -2.276 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.228 -4.409 -1.019 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.349 -3.641 -1.912 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.586 -4.632 -1.283 1.00 0.00 C ATOM 714 OH TYR A 95 -9.171 -5.829 -0.924 1.00 0.00 O ATOM 0 H TYR A 95 -3.856 -1.292 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.449 -1.745 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.138 -0.531 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.510 -0.160 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.590 -3.019 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.340 -1.664 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.639 -5.175 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.396 -3.812 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.118 -5.820 -1.178 1.00 0.00 H new ATOM 715 N CYS A 96 -5.931 0.442 -5.482 1.00 0.00 N ATOM 716 CA CYS A 96 -5.581 1.726 -6.155 1.00 0.00 C ATOM 717 C CYS A 96 -6.130 2.935 -5.403 1.00 0.00 C ATOM 718 O CYS A 96 -6.923 2.807 -4.491 1.00 0.00 O ATOM 719 CB CYS A 96 -6.150 1.748 -7.561 1.00 0.00 C ATOM 720 SG CYS A 96 -5.164 0.705 -8.657 1.00 0.00 S ATOM 0 H CYS A 96 -6.498 -0.197 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.493 1.787 -6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.182 1.398 -7.548 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.165 2.771 -7.938 1.00 0.00 H new ATOM 721 N ALA A 97 -5.716 4.124 -5.796 1.00 0.00 N ATOM 722 CA ALA A 97 -6.226 5.349 -5.108 1.00 0.00 C ATOM 723 C ALA A 97 -5.566 6.622 -5.664 1.00 0.00 C ATOM 724 O ALA A 97 -4.405 6.636 -6.006 1.00 0.00 O ATOM 725 CB ALA A 97 -5.889 5.243 -3.625 1.00 0.00 C ATOM 0 H ALA A 97 -5.055 4.292 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.302 5.416 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.253 6.129 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.364 4.355 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.809 5.169 -3.502 1.00 0.00 H new ATOM 726 N ARG A 98 -6.288 7.711 -5.716 1.00 0.00 N ATOM 727 CA ARG A 98 -5.667 8.980 -6.205 1.00 0.00 C ATOM 728 C ARG A 98 -5.167 9.767 -4.994 1.00 0.00 C ATOM 729 O ARG A 98 -5.424 9.404 -3.866 1.00 0.00 O ATOM 730 CB ARG A 98 -6.689 9.838 -6.952 1.00 0.00 C ATOM 731 CG ARG A 98 -6.032 10.433 -8.204 1.00 0.00 C ATOM 732 CD ARG A 98 -6.841 10.068 -9.452 1.00 0.00 C ATOM 733 NE ARG A 98 -6.417 10.934 -10.590 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.262 11.766 -11.137 1.00 0.00 C ATOM 735 NH1 ARG A 98 -8.537 11.491 -11.156 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.829 12.877 -11.666 1.00 0.00 N ATOM 0 H ARG A 98 -7.269 7.778 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.851 8.735 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.552 9.234 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.054 10.635 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.967 11.517 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.013 10.059 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.688 9.018 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.906 10.198 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.462 10.876 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.878 10.623 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.193 12.144 -11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.832 13.094 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.487 13.528 -12.094 1.00 0.00 H new ATOM 737 N LEU A 99 -4.456 10.839 -5.206 1.00 0.00 N ATOM 738 CA LEU A 99 -3.959 11.626 -4.038 1.00 0.00 C ATOM 739 C LEU A 99 -3.189 12.860 -4.519 1.00 0.00 C ATOM 740 O LEU A 99 -2.257 13.311 -3.884 1.00 0.00 O ATOM 741 CB LEU A 99 -3.055 10.737 -3.164 1.00 0.00 C ATOM 742 CG LEU A 99 -1.754 10.338 -3.894 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.972 10.235 -5.407 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.668 11.375 -3.609 1.00 0.00 C ATOM 0 H LEU A 99 -4.199 11.203 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.809 11.962 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.807 11.266 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.600 9.838 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.446 9.360 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.037 9.953 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.731 9.480 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.304 11.199 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.250 11.092 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.996 12.352 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.482 11.421 -2.536 1.00 0.00 H new ATOM 745 N LYS A 100 -3.578 13.418 -5.629 1.00 0.00 N ATOM 746 CA LYS A 100 -2.861 14.622 -6.137 1.00 0.00 C ATOM 747 C LYS A 100 -3.760 15.852 -6.017 1.00 0.00 C ATOM 748 O LYS A 100 -3.424 16.919 -6.492 1.00 0.00 O ATOM 749 CB LYS A 100 -2.469 14.415 -7.608 1.00 0.00 C ATOM 750 CG LYS A 100 -3.444 13.445 -8.287 1.00 0.00 C ATOM 751 CD LYS A 100 -4.800 14.126 -8.485 1.00 0.00 C ATOM 752 CE LYS A 100 -4.963 14.525 -9.952 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.624 15.967 -10.115 1.00 0.00 N ATOM 0 H LYS A 100 -4.356 13.097 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.961 14.774 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.474 15.371 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.454 14.023 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.043 13.126 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.562 12.549 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.604 13.452 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.873 15.007 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.314 13.915 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.987 14.342 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.985 16.307 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.058 16.515 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.591 16.086 -10.085 1.00 0.00 H new ATOM 754 N LYS A 101 -4.905 15.713 -5.396 1.00 0.00 N ATOM 755 CA LYS A 101 -5.829 16.879 -5.256 1.00 0.00 C ATOM 756 C LYS A 101 -6.637 17.024 -6.542 1.00 0.00 C ATOM 757 O LYS A 101 -6.165 16.723 -7.619 1.00 0.00 O ATOM 758 CB LYS A 101 -5.037 18.162 -4.988 1.00 0.00 C ATOM 759 CG LYS A 101 -5.767 18.998 -3.935 1.00 0.00 C ATOM 760 CD LYS A 101 -5.324 18.563 -2.536 1.00 0.00 C ATOM 761 CE LYS A 101 -6.067 19.390 -1.483 1.00 0.00 C ATOM 762 NZ LYS A 101 -5.770 20.835 -1.690 1.00 0.00 N ATOM 0 H LYS A 101 -5.239 14.843 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.499 16.710 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.033 17.917 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.926 18.734 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.552 20.056 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.845 18.874 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.529 17.502 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.248 18.697 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.140 19.214 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.762 19.084 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.975 21.360 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.766 20.951 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.361 21.204 -2.462 1.00 0.00 H new ATOM 763 N TYR A 102 -7.872 17.438 -6.430 1.00 0.00 N ATOM 764 CA TYR A 102 -8.738 17.553 -7.638 1.00 0.00 C ATOM 765 C TYR A 102 -9.150 16.141 -8.065 1.00 0.00 C ATOM 766 O TYR A 102 -9.910 15.955 -8.992 1.00 0.00 O ATOM 767 CB TYR A 102 -7.977 18.233 -8.782 1.00 0.00 C ATOM 768 CG TYR A 102 -8.949 18.604 -9.881 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.356 17.641 -10.817 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.444 19.912 -9.963 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.258 17.988 -11.830 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.345 20.256 -10.978 1.00 0.00 C ATOM 773 CZ TYR A 102 -10.752 19.294 -11.911 1.00 0.00 C ATOM 774 OH TYR A 102 -11.641 19.635 -12.910 1.00 0.00 O ATOM 0 H TYR A 102 -8.318 17.702 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.616 18.156 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.468 19.124 -8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.209 17.564 -9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.974 16.633 -10.756 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.131 20.654 -9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.573 17.247 -12.550 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.727 21.264 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.886 20.580 -12.822 1.00 0.00 H new ATOM 775 N ALA A 103 -8.652 15.143 -7.385 1.00 0.00 N ATOM 776 CA ALA A 103 -8.996 13.751 -7.729 1.00 0.00 C ATOM 777 C ALA A 103 -8.513 12.863 -6.591 1.00 0.00 C ATOM 778 O ALA A 103 -7.330 12.649 -6.429 1.00 0.00 O ATOM 779 CB ALA A 103 -8.280 13.356 -9.017 1.00 0.00 C ATOM 0 H ALA A 103 -8.013 15.244 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.071 13.644 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.533 12.327 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.592 14.018 -9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.203 13.440 -8.875 1.00 0.00 H new ATOM 780 N PHE A 104 -9.404 12.358 -5.793 1.00 0.00 N ATOM 781 CA PHE A 104 -8.969 11.496 -4.667 1.00 0.00 C ATOM 782 C PHE A 104 -10.193 10.875 -3.991 1.00 0.00 C ATOM 783 O PHE A 104 -10.948 11.548 -3.317 1.00 0.00 O ATOM 784 CB PHE A 104 -8.182 12.325 -3.658 1.00 0.00 C ATOM 785 CG PHE A 104 -7.454 11.408 -2.696 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.658 10.019 -2.744 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.570 11.947 -1.755 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.985 9.180 -1.856 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.895 11.103 -0.866 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.105 9.719 -0.919 1.00 0.00 C ATOM 0 H PHE A 104 -10.411 12.504 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.330 10.700 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.467 12.964 -4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.856 12.982 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.338 9.599 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.409 13.014 -1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.146 8.113 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.212 11.518 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.584 9.068 -0.232 1.00 0.00 H new ATOM 791 N ASP A 105 -10.374 9.591 -4.177 1.00 0.00 N ATOM 792 CA ASP A 105 -11.532 8.858 -3.575 1.00 0.00 C ATOM 793 C ASP A 105 -11.938 7.738 -4.532 1.00 0.00 C ATOM 794 O ASP A 105 -12.601 6.792 -4.155 1.00 0.00 O ATOM 795 CB ASP A 105 -12.729 9.794 -3.376 1.00 0.00 C ATOM 796 CG ASP A 105 -12.939 10.636 -4.636 1.00 0.00 C ATOM 797 OD1 ASP A 105 -13.110 10.053 -5.693 1.00 0.00 O ATOM 798 OD2 ASP A 105 -12.928 11.850 -4.520 1.00 0.00 O ATOM 0 H ASP A 105 -9.752 9.006 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.237 8.461 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.626 9.213 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.557 10.443 -2.517 1.00 0.00 H new ATOM 799 N TYR A 106 -11.541 7.845 -5.773 1.00 0.00 N ATOM 800 CA TYR A 106 -11.898 6.795 -6.771 1.00 0.00 C ATOM 801 C TYR A 106 -11.059 5.544 -6.510 1.00 0.00 C ATOM 802 O TYR A 106 -10.712 5.244 -5.386 1.00 0.00 O ATOM 803 CB TYR A 106 -11.626 7.301 -8.195 1.00 0.00 C ATOM 804 CG TYR A 106 -11.733 8.805 -8.235 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.987 9.419 -8.325 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.573 9.585 -8.172 1.00 0.00 C ATOM 807 CE1 TYR A 106 -13.081 10.816 -8.356 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.665 10.979 -8.201 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.919 11.596 -8.292 1.00 0.00 C ATOM 810 OH TYR A 106 -12.010 12.973 -8.320 1.00 0.00 O ATOM 0 H TYR A 106 -10.983 8.617 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.958 6.559 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.632 6.990 -8.517 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.340 6.858 -8.890 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.882 8.816 -8.371 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.606 9.109 -8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.048 11.291 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.769 11.581 -8.153 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.859 13.253 -7.918 1.00 0.00 H new ATOM 811 N TRP A 107 -10.730 4.815 -7.544 1.00 0.00 N ATOM 812 CA TRP A 107 -9.920 3.580 -7.363 1.00 0.00 C ATOM 813 C TRP A 107 -10.618 2.656 -6.363 1.00 0.00 C ATOM 814 O TRP A 107 -11.447 3.085 -5.586 1.00 0.00 O ATOM 815 CB TRP A 107 -8.536 3.947 -6.852 1.00 0.00 C ATOM 816 CG TRP A 107 -7.974 5.050 -7.691 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.126 6.359 -7.424 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.191 4.977 -8.926 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.469 7.097 -8.380 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.877 6.296 -9.330 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.718 3.915 -9.723 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.123 6.550 -10.480 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -5.961 4.168 -10.878 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.664 5.483 -11.256 1.00 0.00 C ATOM 0 H TRP A 107 -10.989 5.025 -8.508 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.821 3.065 -8.319 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.592 4.260 -5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.880 3.077 -6.888 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.678 6.767 -6.590 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.425 8.116 -8.385 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.940 2.896 -9.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.897 7.566 -10.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.606 3.344 -11.478 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.081 5.672 -12.146 1.00 0.00 H new ATOM 825 N GLY A 108 -10.302 1.392 -6.366 1.00 0.00 N ATOM 826 CA GLY A 108 -10.966 0.475 -5.401 1.00 0.00 C ATOM 827 C GLY A 108 -11.443 -0.794 -6.111 1.00 0.00 C ATOM 828 O GLY A 108 -12.172 -0.743 -7.083 1.00 0.00 O ATOM 0 H GLY A 108 -9.620 0.958 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.272 0.213 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.813 0.979 -4.935 1.00 0.00 H new ATOM 829 N GLN A 109 -11.044 -1.933 -5.618 1.00 0.00 N ATOM 830 CA GLN A 109 -11.467 -3.224 -6.233 1.00 0.00 C ATOM 831 C GLN A 109 -10.739 -4.364 -5.525 1.00 0.00 C ATOM 832 O GLN A 109 -11.245 -5.462 -5.402 1.00 0.00 O ATOM 833 CB GLN A 109 -11.109 -3.244 -7.721 1.00 0.00 C ATOM 834 CG GLN A 109 -12.075 -4.171 -8.463 1.00 0.00 C ATOM 835 CD GLN A 109 -13.271 -3.366 -8.968 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.787 -2.519 -8.268 1.00 0.00 O ATOM 837 NE2 GLN A 109 -13.737 -3.597 -10.165 1.00 0.00 N ATOM 0 H GLN A 109 -10.435 -2.026 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.546 -3.339 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.165 -2.237 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.083 -3.587 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.566 -4.649 -9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.413 -4.967 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.303 -4.309 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -14.535 -3.066 -10.513 1.00 0.00 H new ATOM 838 N GLY A 110 -9.551 -4.104 -5.053 1.00 0.00 N ATOM 839 CA GLY A 110 -8.776 -5.154 -4.342 1.00 0.00 C ATOM 840 C GLY A 110 -7.990 -5.995 -5.351 1.00 0.00 C ATOM 841 O GLY A 110 -8.553 -6.614 -6.230 1.00 0.00 O ATOM 0 H GLY A 110 -9.082 -3.201 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.092 -4.693 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.450 -5.792 -3.771 1.00 0.00 H new ATOM 842 N THR A 111 -6.693 -6.043 -5.210 1.00 0.00 N ATOM 843 CA THR A 111 -5.870 -6.860 -6.126 1.00 0.00 C ATOM 844 C THR A 111 -4.844 -7.562 -5.254 1.00 0.00 C ATOM 845 O THR A 111 -5.084 -7.769 -4.082 1.00 0.00 O ATOM 846 CB THR A 111 -5.179 -5.968 -7.160 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.663 -6.777 -8.208 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.039 -5.199 -6.500 1.00 0.00 C ATOM 0 H THR A 111 -6.170 -5.544 -4.490 1.00 0.00 H new ATOM 0 HA THR A 111 -6.477 -7.577 -6.678 1.00 0.00 H new ATOM 0 HB THR A 111 -5.900 -5.259 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.386 -7.011 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.551 -4.566 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.436 -4.578 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.315 -5.903 -6.090 1.00 0.00 H new ATOM 849 N LEU A 112 -3.713 -7.930 -5.770 1.00 0.00 N ATOM 850 CA LEU A 112 -2.747 -8.613 -4.881 1.00 0.00 C ATOM 851 C LEU A 112 -1.481 -9.014 -5.628 1.00 0.00 C ATOM 852 O LEU A 112 -1.188 -8.568 -6.719 1.00 0.00 O ATOM 853 CB LEU A 112 -3.408 -9.889 -4.377 1.00 0.00 C ATOM 854 CG LEU A 112 -3.602 -10.792 -5.583 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.630 -11.970 -5.491 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.043 -11.306 -5.613 1.00 0.00 C ATOM 0 H LEU A 112 -3.421 -7.794 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.475 -7.933 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.785 -10.376 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.364 -9.667 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.406 -10.232 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.765 -12.621 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.606 -11.596 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.825 -12.532 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.180 -11.954 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.247 -11.869 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.729 -10.462 -5.679 1.00 0.00 H new ATOM 857 N VAL A 113 -0.752 -9.887 -5.007 1.00 0.00 N ATOM 858 CA VAL A 113 0.504 -10.415 -5.573 1.00 0.00 C ATOM 859 C VAL A 113 0.685 -11.799 -4.969 1.00 0.00 C ATOM 860 O VAL A 113 1.107 -11.937 -3.837 1.00 0.00 O ATOM 861 CB VAL A 113 1.642 -9.506 -5.146 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.570 -8.217 -5.961 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.465 -9.185 -3.665 1.00 0.00 C ATOM 0 H VAL A 113 -0.989 -10.270 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 113 0.486 -10.463 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 113 2.606 -9.987 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.382 -7.553 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.661 -8.451 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.615 -7.725 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.273 -8.532 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.509 -8.685 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.487 -10.109 -3.087 1.00 0.00 H new ATOM 864 N THR A 114 0.326 -12.822 -5.686 1.00 0.00 N ATOM 865 CA THR A 114 0.436 -14.186 -5.112 1.00 0.00 C ATOM 866 C THR A 114 1.871 -14.673 -5.188 1.00 0.00 C ATOM 867 O THR A 114 2.340 -15.097 -6.222 1.00 0.00 O ATOM 868 CB THR A 114 -0.472 -15.144 -5.875 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.573 -14.425 -6.413 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.977 -16.220 -4.916 1.00 0.00 C ATOM 0 H THR A 114 -0.036 -12.774 -6.638 1.00 0.00 H new ATOM 0 HA THR A 114 0.128 -14.152 -4.067 1.00 0.00 H new ATOM 0 HB THR A 114 0.082 -15.611 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.156 -15.040 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.628 -16.910 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.129 -16.767 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.535 -15.752 -4.105 1.00 0.00 H new ATOM 871 N VAL A 115 2.569 -14.624 -4.094 1.00 0.00 N ATOM 872 CA VAL A 115 3.972 -15.094 -4.101 1.00 0.00 C ATOM 873 C VAL A 115 4.008 -16.540 -4.583 1.00 0.00 C ATOM 874 O VAL A 115 3.493 -17.435 -3.941 1.00 0.00 O ATOM 875 CB VAL A 115 4.547 -14.997 -2.698 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.010 -13.567 -2.443 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.478 -15.374 -1.671 1.00 0.00 C ATOM 0 H VAL A 115 2.228 -14.279 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 115 4.569 -14.474 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 115 5.390 -15.681 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.423 -13.492 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.775 -13.297 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.163 -12.888 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.897 -15.302 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.631 -14.693 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.143 -16.395 -1.853 1.00 0.00 H new ATOM 878 N SER A 116 4.596 -16.777 -5.722 1.00 0.00 N ATOM 879 CA SER A 116 4.640 -18.163 -6.251 1.00 0.00 C ATOM 880 C SER A 116 5.606 -18.239 -7.435 1.00 0.00 C ATOM 881 O SER A 116 5.905 -17.247 -8.070 1.00 0.00 O ATOM 882 CB SER A 116 3.237 -18.549 -6.710 1.00 0.00 C ATOM 883 OG SER A 116 2.747 -19.600 -5.888 1.00 0.00 O ATOM 0 H SER A 116 5.046 -16.072 -6.306 1.00 0.00 H new ATOM 0 HA SER A 116 4.984 -18.846 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.573 -17.687 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.257 -18.866 -7.753 1.00 0.00 H new ATOM 0 HG SER A 116 2.792 -19.328 -4.948 1.00 0.00 H new ATOM 884 N SER A 117 6.095 -19.411 -7.736 1.00 0.00 N ATOM 885 CA SER A 117 7.039 -19.555 -8.878 1.00 0.00 C ATOM 886 C SER A 117 6.331 -20.261 -10.036 1.00 0.00 C ATOM 887 O SER A 117 6.938 -20.388 -11.086 1.00 0.00 O ATOM 888 CB SER A 117 8.246 -20.383 -8.437 1.00 0.00 C ATOM 889 OG SER A 117 8.199 -20.566 -7.029 1.00 0.00 O ATOM 890 OXT SER A 117 5.194 -20.663 -9.851 1.00 0.00 O ATOM 0 H SER A 117 5.881 -20.276 -7.239 1.00 0.00 H new ATOM 0 HA SER A 117 7.373 -18.570 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.243 -21.349 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 117 9.170 -19.879 -8.719 1.00 0.00 H new ATOM 0 HG SER A 117 8.970 -21.098 -6.742 1.00 0.00 H new TER 891 SER A 117