USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 806 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 66 THR OG1 : rot 180:sc= -0.486 USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -0.684 F(o=-1.8,f=-1.2) USER MOD Set 2.1: A 58 THR OG1 : rot -60:sc= 0.755 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.936 K(o=-0.18,f=-6.9!) USER MOD Set 3.1: A 4 HIS :FLIP no HE2:sc= 0.255 F(o=-2,f=0.81) USER MOD Set 3.2: A 5 SER OG : rot 28:sc= 0.171 USER MOD Set 3.3: A 39 THR OG1 : rot 79:sc= 0.439 USER MOD Set 3.4: A 42 GLN : amide:sc= -0.06 K(o=0.81,f=-3.4) USER MOD Single : A 1 MET CE :methyl -160:sc= -1.98 (180deg=-3.2) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -27:sc= 1.23 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 19 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.0072) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 0.758 (180deg=0.25) USER MOD Single : A 43 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 55 CYS SG : rot -178:sc= 0.0709 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= 1.04 (180deg=0.765) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc=-0.00745 (180deg=-0.15) USER MOD Single : A 76 TYR OH : rot 120:sc= -1.11 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.278 F(o=-1,f=-0.28) USER MOD Single : A 86 THR OG1 : rot 79:sc= 0.417 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 28:sc= 0.0111 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.674 -4.938 6.846 1.00 0.00 N ATOM 2 CA MET A 1 6.326 -4.756 5.531 1.00 0.00 C ATOM 3 C MET A 1 7.000 -6.075 5.122 1.00 0.00 C ATOM 4 O MET A 1 7.911 -6.551 5.804 1.00 0.00 O ATOM 5 CB MET A 1 7.332 -3.565 5.589 1.00 0.00 C ATOM 6 CG MET A 1 8.128 -3.271 4.297 1.00 0.00 C ATOM 7 SD MET A 1 9.440 -4.471 3.983 1.00 0.00 S ATOM 8 CE MET A 1 10.299 -3.707 2.619 1.00 0.00 C ATOM 0 H1 MET A 1 5.215 -4.050 7.132 1.00 0.00 H new ATOM 0 H2 MET A 1 4.960 -5.691 6.778 1.00 0.00 H new ATOM 0 H3 MET A 1 6.389 -5.201 7.554 1.00 0.00 H new ATOM 0 HA MET A 1 5.586 -4.505 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.780 -2.665 5.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.044 -3.758 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.442 -3.261 3.450 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.564 -2.274 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.887 -4.459 2.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.575 -3.267 1.933 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.961 -2.928 2.997 1.00 0.00 H new ATOM 18 N LEU A 2 6.493 -6.678 4.033 1.00 0.00 N ATOM 19 CA LEU A 2 7.067 -7.891 3.422 1.00 0.00 C ATOM 20 C LEU A 2 7.416 -7.610 1.961 1.00 0.00 C ATOM 21 O LEU A 2 6.749 -6.798 1.303 1.00 0.00 O ATOM 22 CB LEU A 2 6.105 -9.114 3.598 1.00 0.00 C ATOM 23 CG LEU A 2 4.628 -8.989 3.064 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.509 -9.178 1.531 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.691 -9.969 3.800 1.00 0.00 C ATOM 0 H LEU A 2 5.665 -6.334 3.547 1.00 0.00 H new ATOM 0 HA LEU A 2 7.991 -8.160 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.564 -9.971 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.055 -9.346 4.662 1.00 0.00 H new ATOM 0 HG LEU A 2 4.318 -7.966 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.465 -9.079 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.105 -8.420 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.873 -10.168 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.677 -9.863 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.035 -10.991 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.697 -9.746 4.867 1.00 0.00 H new ATOM 37 N LEU A 3 8.459 -8.279 1.469 1.00 0.00 N ATOM 38 CA LEU A 3 9.019 -8.072 0.127 1.00 0.00 C ATOM 39 C LEU A 3 8.075 -8.634 -0.964 1.00 0.00 C ATOM 40 O LEU A 3 7.943 -9.852 -1.096 1.00 0.00 O ATOM 41 CB LEU A 3 10.417 -8.763 0.074 1.00 0.00 C ATOM 42 CG LEU A 3 11.342 -8.548 1.331 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.706 -9.254 1.191 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.516 -7.052 1.648 1.00 0.00 C ATOM 0 H LEU A 3 8.951 -8.996 2.002 1.00 0.00 H new ATOM 0 HA LEU A 3 9.126 -7.005 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.266 -9.834 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.946 -8.401 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 3 10.835 -9.015 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.303 -9.073 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.550 -10.326 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.230 -8.863 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.159 -6.937 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.970 -6.549 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.542 -6.608 1.855 1.00 0.00 H new ATOM 56 N HIS A 4 7.389 -7.735 -1.714 1.00 0.00 N ATOM 57 CA HIS A 4 6.458 -8.109 -2.826 1.00 0.00 C ATOM 58 C HIS A 4 7.067 -9.066 -3.886 1.00 0.00 C ATOM 59 O HIS A 4 6.316 -9.712 -4.622 1.00 0.00 O ATOM 60 CB HIS A 4 5.915 -6.836 -3.537 1.00 0.00 C ATOM 61 CG HIS A 4 6.875 -6.187 -4.512 1.00 0.00 C ATOM 62 ND1 HIS A 4 8.072 -5.596 -4.321 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 6.633 -6.096 -5.864 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 8.529 -5.163 -5.536 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 7.637 -5.479 -6.451 1.00 0.00 N flip ATOM 0 H HIS A 4 7.461 -6.728 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 4 5.650 -8.658 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.001 -7.098 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.642 -6.103 -2.778 1.00 0.00 H new ATOM 0 HD1 HIS A 4 8.553 -5.490 -3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.754 -6.473 -6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 4 9.462 -4.650 -5.714 1.00 0.00 H new ATOM 74 N SER A 5 8.406 -9.129 -3.976 1.00 0.00 N ATOM 75 CA SER A 5 9.101 -10.019 -4.922 1.00 0.00 C ATOM 76 C SER A 5 10.581 -10.175 -4.535 1.00 0.00 C ATOM 77 O SER A 5 11.322 -9.187 -4.493 1.00 0.00 O ATOM 78 CB SER A 5 8.970 -9.482 -6.373 1.00 0.00 C ATOM 79 OG SER A 5 9.398 -8.131 -6.468 1.00 0.00 O ATOM 0 H SER A 5 9.034 -8.569 -3.399 1.00 0.00 H new ATOM 0 HA SER A 5 8.631 -11.001 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.563 -10.101 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.933 -9.560 -6.699 1.00 0.00 H new ATOM 0 HG SER A 5 10.076 -7.954 -5.783 1.00 0.00 H new ATOM 85 N VAL A 6 10.999 -11.416 -4.213 1.00 0.00 N ATOM 86 CA VAL A 6 12.425 -11.764 -4.039 1.00 0.00 C ATOM 87 C VAL A 6 12.801 -12.814 -5.085 1.00 0.00 C ATOM 88 O VAL A 6 12.260 -13.930 -5.077 1.00 0.00 O ATOM 89 CB VAL A 6 12.782 -12.335 -2.611 1.00 0.00 C ATOM 90 CG1 VAL A 6 14.327 -12.426 -2.411 1.00 0.00 C ATOM 91 CG2 VAL A 6 12.132 -11.504 -1.497 1.00 0.00 C ATOM 0 H VAL A 6 10.363 -12.200 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 6 12.987 -10.837 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 6 12.375 -13.345 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.543 -12.822 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.753 -13.086 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.766 -11.433 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.398 -11.924 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.487 -10.475 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.049 -11.521 -1.615 1.00 0.00 H new ATOM 101 N GLU A 7 13.715 -12.455 -5.985 1.00 0.00 N ATOM 102 CA GLU A 7 14.297 -13.386 -6.953 1.00 0.00 C ATOM 103 C GLU A 7 15.386 -14.202 -6.233 1.00 0.00 C ATOM 104 O GLU A 7 16.559 -13.828 -6.207 1.00 0.00 O ATOM 105 CB GLU A 7 14.822 -12.598 -8.185 1.00 0.00 C ATOM 106 CG GLU A 7 13.708 -11.783 -8.878 1.00 0.00 C ATOM 107 CD GLU A 7 14.216 -10.886 -10.016 1.00 0.00 C ATOM 108 OE1 GLU A 7 14.596 -9.723 -9.753 1.00 0.00 O ATOM 109 OE2 GLU A 7 14.252 -11.345 -11.177 1.00 0.00 O ATOM 0 H GLU A 7 14.075 -11.504 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 7 13.556 -14.087 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.619 -11.925 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.258 -13.295 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.961 -12.470 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.208 -11.163 -8.134 1.00 0.00 H new ATOM 116 N THR A 8 14.926 -15.279 -5.565 1.00 0.00 N ATOM 117 CA THR A 8 15.760 -16.186 -4.747 1.00 0.00 C ATOM 118 C THR A 8 16.571 -17.152 -5.666 1.00 0.00 C ATOM 119 O THR A 8 16.304 -17.196 -6.871 1.00 0.00 O ATOM 120 CB THR A 8 14.839 -16.997 -3.758 1.00 0.00 C ATOM 121 OG1 THR A 8 13.966 -17.879 -4.483 1.00 0.00 O ATOM 122 CG2 THR A 8 13.996 -16.065 -2.878 1.00 0.00 C ATOM 0 H THR A 8 13.943 -15.549 -5.579 1.00 0.00 H new ATOM 0 HA THR A 8 16.470 -15.598 -4.166 1.00 0.00 H new ATOM 0 HB THR A 8 15.498 -17.582 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.797 -17.511 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.374 -16.660 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.654 -15.427 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.360 -15.445 -3.510 1.00 0.00 H new ATOM 130 N PRO A 9 17.585 -17.946 -5.142 1.00 0.00 N ATOM 131 CA PRO A 9 18.376 -18.900 -5.986 1.00 0.00 C ATOM 132 C PRO A 9 17.506 -20.010 -6.635 1.00 0.00 C ATOM 133 O PRO A 9 17.870 -20.578 -7.669 1.00 0.00 O ATOM 134 CB PRO A 9 19.426 -19.491 -4.997 1.00 0.00 C ATOM 135 CG PRO A 9 19.478 -18.507 -3.870 1.00 0.00 C ATOM 136 CD PRO A 9 18.076 -17.960 -3.738 1.00 0.00 C ATOM 0 HA PRO A 9 18.830 -18.398 -6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.129 -20.479 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.401 -19.601 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.799 -18.987 -2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.191 -17.710 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.456 -18.590 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.072 -16.962 -3.300 1.00 0.00 H new ATOM 144 N ARG A 10 16.361 -20.316 -5.995 1.00 0.00 N ATOM 145 CA ARG A 10 15.375 -21.300 -6.514 1.00 0.00 C ATOM 146 C ARG A 10 14.329 -20.666 -7.464 1.00 0.00 C ATOM 147 O ARG A 10 13.402 -21.355 -7.919 1.00 0.00 O ATOM 148 CB ARG A 10 14.684 -22.037 -5.334 1.00 0.00 C ATOM 149 CG ARG A 10 13.948 -21.130 -4.331 1.00 0.00 C ATOM 150 CD ARG A 10 13.363 -21.929 -3.162 1.00 0.00 C ATOM 151 NE ARG A 10 14.401 -22.648 -2.408 1.00 0.00 N ATOM 152 CZ ARG A 10 14.194 -23.409 -1.333 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.984 -23.557 -0.805 1.00 0.00 N ATOM 154 NH2 ARG A 10 15.217 -24.009 -0.762 1.00 0.00 N ATOM 0 H ARG A 10 16.089 -19.894 -5.107 1.00 0.00 H new ATOM 0 HA ARG A 10 15.928 -22.023 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.971 -22.753 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.438 -22.611 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.638 -20.378 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.147 -20.597 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.831 -21.253 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.632 -22.643 -3.541 1.00 0.00 H new ATOM 0 HE ARG A 10 15.363 -22.557 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.184 -23.082 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.855 -24.146 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.156 -23.889 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.071 -24.594 0.061 1.00 0.00 H new ATOM 168 N GLY A 11 14.499 -19.372 -7.778 1.00 0.00 N ATOM 169 CA GLY A 11 13.622 -18.653 -8.715 1.00 0.00 C ATOM 170 C GLY A 11 12.958 -17.433 -8.083 1.00 0.00 C ATOM 171 O GLY A 11 13.339 -17.006 -6.998 1.00 0.00 O ATOM 0 H GLY A 11 15.246 -18.796 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.204 -18.337 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.852 -19.333 -9.079 1.00 0.00 H new ATOM 175 N GLU A 12 11.936 -16.880 -8.752 1.00 0.00 N ATOM 176 CA GLU A 12 11.243 -15.659 -8.289 1.00 0.00 C ATOM 177 C GLU A 12 10.104 -16.051 -7.334 1.00 0.00 C ATOM 178 O GLU A 12 9.368 -17.008 -7.594 1.00 0.00 O ATOM 179 CB GLU A 12 10.679 -14.856 -9.492 1.00 0.00 C ATOM 180 CG GLU A 12 9.939 -13.558 -9.101 1.00 0.00 C ATOM 181 CD GLU A 12 9.205 -12.906 -10.281 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.156 -13.446 -10.706 1.00 0.00 O ATOM 183 OE2 GLU A 12 9.669 -11.871 -10.809 1.00 0.00 O ATOM 0 H GLU A 12 11.565 -17.260 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 12 11.958 -15.025 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.501 -14.604 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.996 -15.495 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.221 -13.780 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.656 -12.848 -8.689 1.00 0.00 H new ATOM 190 N ILE A 13 9.958 -15.295 -6.238 1.00 0.00 N ATOM 191 CA ILE A 13 8.906 -15.502 -5.230 1.00 0.00 C ATOM 192 C ILE A 13 8.117 -14.190 -5.092 1.00 0.00 C ATOM 193 O ILE A 13 8.720 -13.119 -5.089 1.00 0.00 O ATOM 194 CB ILE A 13 9.510 -15.903 -3.826 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.523 -17.093 -3.941 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.378 -16.239 -2.828 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.943 -18.400 -4.451 1.00 0.00 C ATOM 0 H ILE A 13 10.575 -14.512 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 13 8.262 -16.319 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 13 10.066 -15.044 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.335 -16.793 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.962 -17.269 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.811 -16.513 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.734 -15.369 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.790 -17.072 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.728 -19.155 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.153 -18.734 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.531 -18.250 -5.449 1.00 0.00 H new ATOM 209 N LEU A 14 6.784 -14.282 -4.988 1.00 0.00 N ATOM 210 CA LEU A 14 5.893 -13.115 -4.861 1.00 0.00 C ATOM 211 C LEU A 14 5.287 -13.069 -3.441 1.00 0.00 C ATOM 212 O LEU A 14 4.854 -14.108 -2.922 1.00 0.00 O ATOM 213 CB LEU A 14 4.775 -13.192 -5.936 1.00 0.00 C ATOM 214 CG LEU A 14 5.255 -13.238 -7.424 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.059 -13.376 -8.391 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.127 -12.007 -7.774 1.00 0.00 C ATOM 0 H LEU A 14 6.288 -15.173 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 14 6.465 -12.201 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.173 -14.079 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.120 -12.329 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 14 5.879 -14.123 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.423 -13.405 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.518 -14.296 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.391 -12.524 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.444 -12.070 -8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.547 -11.096 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.005 -11.987 -7.128 1.00 0.00 H new ATOM 228 N ASN A 15 5.285 -11.850 -2.850 1.00 0.00 N ATOM 229 CA ASN A 15 4.736 -11.532 -1.511 1.00 0.00 C ATOM 230 C ASN A 15 5.295 -12.471 -0.423 1.00 0.00 C ATOM 231 O ASN A 15 4.709 -13.522 -0.117 1.00 0.00 O ATOM 232 CB ASN A 15 3.181 -11.526 -1.524 1.00 0.00 C ATOM 233 CG ASN A 15 2.590 -10.488 -2.486 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.389 -9.330 -2.124 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.297 -10.901 -3.711 1.00 0.00 N ATOM 0 H ASN A 15 5.681 -11.031 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 15 5.064 -10.524 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.822 -12.517 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.816 -11.327 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.892 -10.251 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.476 -11.869 -3.980 1.00 0.00 H new ATOM 242 N VAL A 16 6.443 -12.074 0.141 1.00 0.00 N ATOM 243 CA VAL A 16 7.247 -12.910 1.041 1.00 0.00 C ATOM 244 C VAL A 16 8.029 -12.032 2.036 1.00 0.00 C ATOM 245 O VAL A 16 8.624 -11.037 1.642 1.00 0.00 O ATOM 246 CB VAL A 16 8.221 -13.836 0.210 1.00 0.00 C ATOM 247 CG1 VAL A 16 8.994 -13.055 -0.871 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.193 -14.616 1.117 1.00 0.00 C ATOM 0 H VAL A 16 6.845 -11.150 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 16 6.578 -13.552 1.613 1.00 0.00 H new ATOM 0 HB VAL A 16 7.585 -14.560 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.649 -13.736 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.288 -12.600 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.592 -12.276 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.843 -15.239 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.799 -13.914 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.625 -15.247 1.801 1.00 0.00 H new ATOM 258 N SER A 17 8.003 -12.402 3.332 1.00 0.00 N ATOM 259 CA SER A 17 8.764 -11.696 4.390 1.00 0.00 C ATOM 260 C SER A 17 10.282 -11.890 4.208 1.00 0.00 C ATOM 261 O SER A 17 10.710 -12.811 3.511 1.00 0.00 O ATOM 262 CB SER A 17 8.326 -12.201 5.788 1.00 0.00 C ATOM 263 OG SER A 17 9.025 -11.537 6.844 1.00 0.00 O ATOM 0 H SER A 17 7.459 -13.193 3.676 1.00 0.00 H new ATOM 0 HA SER A 17 8.547 -10.631 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.254 -12.045 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.502 -13.275 5.857 1.00 0.00 H new ATOM 0 HG SER A 17 8.718 -11.883 7.708 1.00 0.00 H new ATOM 269 N GLU A 18 11.090 -11.033 4.863 1.00 0.00 N ATOM 270 CA GLU A 18 12.566 -11.157 4.861 1.00 0.00 C ATOM 271 C GLU A 18 12.965 -12.461 5.584 1.00 0.00 C ATOM 272 O GLU A 18 13.940 -13.126 5.214 1.00 0.00 O ATOM 273 CB GLU A 18 13.248 -9.944 5.564 1.00 0.00 C ATOM 274 CG GLU A 18 12.838 -8.537 5.055 1.00 0.00 C ATOM 275 CD GLU A 18 11.479 -8.060 5.601 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.427 -7.652 6.780 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.455 -8.134 4.882 1.00 0.00 O ATOM 0 H GLU A 18 10.744 -10.241 5.405 1.00 0.00 H new ATOM 0 HA GLU A 18 12.904 -11.176 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.030 -9.999 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.328 -10.047 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.607 -7.818 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.799 -8.550 3.966 1.00 0.00 H new ATOM 284 N GLN A 19 12.157 -12.809 6.608 1.00 0.00 N ATOM 285 CA GLN A 19 12.313 -14.040 7.394 1.00 0.00 C ATOM 286 C GLN A 19 12.124 -15.268 6.493 1.00 0.00 C ATOM 287 O GLN A 19 13.034 -16.071 6.353 1.00 0.00 O ATOM 288 CB GLN A 19 11.284 -14.069 8.560 1.00 0.00 C ATOM 289 CG GLN A 19 11.399 -12.890 9.550 1.00 0.00 C ATOM 290 CD GLN A 19 12.742 -12.808 10.296 1.00 0.00 C ATOM 291 OE1 GLN A 19 13.217 -11.716 10.619 1.00 0.00 O ATOM 292 NE2 GLN A 19 13.351 -13.952 10.615 1.00 0.00 N ATOM 0 H GLN A 19 11.371 -12.233 6.911 1.00 0.00 H new ATOM 0 HA GLN A 19 13.318 -14.062 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.278 -14.076 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.405 -15.002 9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.244 -11.959 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.596 -12.968 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.940 -14.843 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.228 -13.935 11.136 1.00 0.00 H new ATOM 301 N GLU A 20 10.944 -15.348 5.853 1.00 0.00 N ATOM 302 CA GLU A 20 10.528 -16.490 5.013 1.00 0.00 C ATOM 303 C GLU A 20 11.475 -16.679 3.808 1.00 0.00 C ATOM 304 O GLU A 20 11.883 -17.810 3.495 1.00 0.00 O ATOM 305 CB GLU A 20 9.064 -16.254 4.548 1.00 0.00 C ATOM 306 CG GLU A 20 8.501 -17.312 3.583 1.00 0.00 C ATOM 307 CD GLU A 20 6.994 -17.145 3.316 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.609 -16.299 2.477 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.178 -17.858 3.944 1.00 0.00 O ATOM 0 H GLU A 20 10.241 -14.611 5.904 1.00 0.00 H new ATOM 0 HA GLU A 20 10.582 -17.408 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.423 -16.212 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.007 -15.279 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.040 -17.256 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.683 -18.305 3.995 1.00 0.00 H new ATOM 316 N ALA A 21 11.778 -15.555 3.134 1.00 0.00 N ATOM 317 CA ALA A 21 12.745 -15.505 2.023 1.00 0.00 C ATOM 318 C ALA A 21 14.080 -16.181 2.378 1.00 0.00 C ATOM 319 O ALA A 21 14.548 -17.031 1.635 1.00 0.00 O ATOM 320 CB ALA A 21 12.961 -14.059 1.566 1.00 0.00 C ATOM 0 H ALA A 21 11.356 -14.651 3.346 1.00 0.00 H new ATOM 0 HA ALA A 21 12.319 -16.072 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.678 -14.040 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.013 -13.638 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.346 -13.468 2.397 1.00 0.00 H new ATOM 326 N ARG A 22 14.662 -15.827 3.535 1.00 0.00 N ATOM 327 CA ARG A 22 15.950 -16.401 3.982 1.00 0.00 C ATOM 328 C ARG A 22 15.782 -17.832 4.538 1.00 0.00 C ATOM 329 O ARG A 22 16.635 -18.687 4.303 1.00 0.00 O ATOM 330 CB ARG A 22 16.617 -15.504 5.051 1.00 0.00 C ATOM 331 CG ARG A 22 17.020 -14.107 4.547 1.00 0.00 C ATOM 332 CD ARG A 22 17.765 -13.278 5.606 1.00 0.00 C ATOM 333 NE ARG A 22 19.037 -13.910 6.019 1.00 0.00 N ATOM 334 CZ ARG A 22 20.005 -13.318 6.738 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.893 -12.057 7.135 1.00 0.00 N ATOM 336 NH2 ARG A 22 21.110 -13.992 7.022 1.00 0.00 N ATOM 0 H ARG A 22 14.264 -15.146 4.181 1.00 0.00 H new ATOM 0 HA ARG A 22 16.593 -16.450 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.932 -15.390 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.505 -16.010 5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.653 -14.213 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.126 -13.568 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.968 -12.283 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.126 -13.149 6.479 1.00 0.00 H new ATOM 0 HE ARG A 22 19.192 -14.877 5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.060 -11.519 6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.639 -11.626 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.220 -14.952 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.851 -13.551 7.567 1.00 0.00 H new ATOM 350 N ASP A 23 14.674 -18.077 5.259 1.00 0.00 N ATOM 351 CA ASP A 23 14.463 -19.312 6.048 1.00 0.00 C ATOM 352 C ASP A 23 14.178 -20.503 5.125 1.00 0.00 C ATOM 353 O ASP A 23 14.923 -21.492 5.109 1.00 0.00 O ATOM 354 CB ASP A 23 13.294 -19.103 7.060 1.00 0.00 C ATOM 355 CG ASP A 23 13.067 -20.302 7.999 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.807 -20.423 9.002 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.167 -21.134 7.733 1.00 0.00 O ATOM 0 H ASP A 23 13.893 -17.423 5.314 1.00 0.00 H new ATOM 0 HA ASP A 23 15.373 -19.532 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.499 -18.216 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.376 -18.908 6.506 1.00 0.00 H new ATOM 362 N VAL A 24 13.101 -20.375 4.343 1.00 0.00 N ATOM 363 CA VAL A 24 12.646 -21.418 3.415 1.00 0.00 C ATOM 364 C VAL A 24 13.418 -21.317 2.089 1.00 0.00 C ATOM 365 O VAL A 24 14.142 -22.243 1.709 1.00 0.00 O ATOM 366 CB VAL A 24 11.096 -21.304 3.138 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.597 -22.440 2.201 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.300 -21.274 4.466 1.00 0.00 C ATOM 0 H VAL A 24 12.516 -19.540 4.335 1.00 0.00 H new ATOM 0 HA VAL A 24 12.840 -22.386 3.878 1.00 0.00 H new ATOM 0 HB VAL A 24 10.919 -20.361 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.526 -22.329 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.122 -22.382 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.793 -23.407 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.235 -21.195 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.490 -22.190 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.614 -20.415 5.059 1.00 0.00 H new ATOM 378 N PHE A 25 13.281 -20.151 1.427 1.00 0.00 N ATOM 379 CA PHE A 25 13.715 -19.957 0.025 1.00 0.00 C ATOM 380 C PHE A 25 15.240 -19.754 -0.108 1.00 0.00 C ATOM 381 O PHE A 25 15.794 -19.903 -1.207 1.00 0.00 O ATOM 382 CB PHE A 25 12.928 -18.782 -0.607 1.00 0.00 C ATOM 383 CG PHE A 25 11.402 -18.947 -0.530 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.772 -20.047 -1.112 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.597 -18.000 0.102 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.399 -20.201 -1.047 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.226 -18.160 0.165 1.00 0.00 C ATOM 388 CZ PHE A 25 8.628 -19.252 -0.417 1.00 0.00 C ATOM 0 H PHE A 25 12.868 -19.318 1.846 1.00 0.00 H new ATOM 0 HA PHE A 25 13.490 -20.873 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.210 -17.856 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.221 -18.681 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.366 -20.791 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.052 -17.128 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.932 -21.067 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.622 -17.424 0.674 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.555 -19.365 -0.380 1.00 0.00 H new ATOM 398 N GLY A 26 15.896 -19.415 1.017 1.00 0.00 N ATOM 399 CA GLY A 26 17.354 -19.268 1.072 1.00 0.00 C ATOM 400 C GLY A 26 17.871 -18.082 0.268 1.00 0.00 C ATOM 401 O GLY A 26 18.865 -18.198 -0.458 1.00 0.00 O ATOM 0 H GLY A 26 15.429 -19.237 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.662 -19.155 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.819 -20.181 0.699 1.00 0.00 H new ATOM 405 N ALA A 27 17.185 -16.941 0.401 1.00 0.00 N ATOM 406 CA ALA A 27 17.531 -15.697 -0.311 1.00 0.00 C ATOM 407 C ALA A 27 18.779 -15.041 0.299 1.00 0.00 C ATOM 408 O ALA A 27 18.991 -15.122 1.515 1.00 0.00 O ATOM 409 CB ALA A 27 16.352 -14.720 -0.274 1.00 0.00 C ATOM 0 H ALA A 27 16.370 -16.850 1.007 1.00 0.00 H new ATOM 0 HA ALA A 27 17.751 -15.951 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.620 -13.806 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.486 -15.176 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.109 -14.482 0.762 1.00 0.00 H new ATOM 415 N SER A 28 19.576 -14.373 -0.555 1.00 0.00 N ATOM 416 CA SER A 28 20.795 -13.668 -0.131 1.00 0.00 C ATOM 417 C SER A 28 20.433 -12.390 0.637 1.00 0.00 C ATOM 418 O SER A 28 19.384 -11.804 0.413 1.00 0.00 O ATOM 419 CB SER A 28 21.663 -13.317 -1.362 1.00 0.00 C ATOM 420 OG SER A 28 22.793 -12.535 -1.001 1.00 0.00 O ATOM 0 H SER A 28 19.392 -14.308 -1.556 1.00 0.00 H new ATOM 0 HA SER A 28 21.364 -14.324 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.995 -14.235 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.061 -12.772 -2.089 1.00 0.00 H new ATOM 0 HG SER A 28 23.320 -12.333 -1.802 1.00 0.00 H new ATOM 426 N GLU A 29 21.346 -11.949 1.499 1.00 0.00 N ATOM 427 CA GLU A 29 21.182 -10.709 2.279 1.00 0.00 C ATOM 428 C GLU A 29 21.251 -9.479 1.352 1.00 0.00 C ATOM 429 O GLU A 29 20.676 -8.429 1.654 1.00 0.00 O ATOM 430 CB GLU A 29 22.260 -10.653 3.373 1.00 0.00 C ATOM 431 CG GLU A 29 22.193 -11.841 4.345 1.00 0.00 C ATOM 432 CD GLU A 29 23.375 -11.893 5.317 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.415 -12.496 4.968 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.278 -11.318 6.421 1.00 0.00 O ATOM 0 H GLU A 29 22.223 -12.436 1.682 1.00 0.00 H new ATOM 0 HA GLU A 29 20.203 -10.701 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.244 -10.629 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.152 -9.725 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.265 -11.784 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.160 -12.768 3.773 1.00 0.00 H new ATOM 441 N GLN A 30 21.951 -9.651 0.210 1.00 0.00 N ATOM 442 CA GLN A 30 21.994 -8.661 -0.878 1.00 0.00 C ATOM 443 C GLN A 30 20.681 -8.712 -1.683 1.00 0.00 C ATOM 444 O GLN A 30 20.237 -7.705 -2.220 1.00 0.00 O ATOM 445 CB GLN A 30 23.200 -8.927 -1.813 1.00 0.00 C ATOM 446 CG GLN A 30 24.566 -8.969 -1.095 1.00 0.00 C ATOM 447 CD GLN A 30 25.760 -9.107 -2.045 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.729 -8.627 -3.181 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.822 -9.750 -1.584 1.00 0.00 N ATOM 0 H GLN A 30 22.504 -10.487 0.020 1.00 0.00 H new ATOM 0 HA GLN A 30 22.110 -7.669 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.044 -9.876 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.229 -8.151 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.685 -8.059 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.572 -9.804 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.815 -10.135 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.647 -9.860 -2.173 1.00 0.00 H new ATOM 458 N ALA A 31 20.072 -9.909 -1.752 1.00 0.00 N ATOM 459 CA ALA A 31 18.774 -10.130 -2.419 1.00 0.00 C ATOM 460 C ALA A 31 17.619 -9.647 -1.528 1.00 0.00 C ATOM 461 O ALA A 31 16.538 -9.324 -2.031 1.00 0.00 O ATOM 462 CB ALA A 31 18.595 -11.609 -2.787 1.00 0.00 C ATOM 0 H ALA A 31 20.468 -10.756 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 31 18.761 -9.548 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.631 -11.748 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.394 -11.915 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.633 -12.216 -1.883 1.00 0.00 H new ATOM 468 N ILE A 32 17.868 -9.568 -0.194 1.00 0.00 N ATOM 469 CA ILE A 32 16.834 -9.145 0.766 1.00 0.00 C ATOM 470 C ILE A 32 16.795 -7.618 0.740 1.00 0.00 C ATOM 471 O ILE A 32 15.754 -7.041 0.520 1.00 0.00 O ATOM 472 CB ILE A 32 17.120 -9.642 2.238 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.010 -11.188 2.337 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.184 -8.957 3.275 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.659 -11.753 1.958 1.00 0.00 C ATOM 0 H ILE A 32 18.769 -9.791 0.230 1.00 0.00 H new ATOM 0 HA ILE A 32 15.881 -9.587 0.474 1.00 0.00 H new ATOM 0 HB ILE A 32 18.143 -9.354 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.768 -11.634 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.241 -11.490 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.415 -9.328 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.335 -7.878 3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.146 -9.185 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.677 -12.838 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.895 -11.341 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.430 -11.487 0.926 1.00 0.00 H new ATOM 487 N ALA A 33 17.958 -7.002 1.042 1.00 0.00 N ATOM 488 CA ALA A 33 18.196 -5.548 0.902 1.00 0.00 C ATOM 489 C ALA A 33 17.713 -4.962 -0.447 1.00 0.00 C ATOM 490 O ALA A 33 17.140 -3.882 -0.465 1.00 0.00 O ATOM 491 CB ALA A 33 19.686 -5.244 1.106 1.00 0.00 C ATOM 0 H ALA A 33 18.770 -7.508 1.395 1.00 0.00 H new ATOM 0 HA ALA A 33 17.599 -5.062 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.856 -4.172 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.990 -5.565 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.272 -5.779 0.359 1.00 0.00 H new ATOM 497 N ASP A 34 18.010 -5.655 -1.566 1.00 0.00 N ATOM 498 CA ASP A 34 17.519 -5.257 -2.913 1.00 0.00 C ATOM 499 C ASP A 34 15.983 -5.237 -2.971 1.00 0.00 C ATOM 500 O ASP A 34 15.381 -4.238 -3.373 1.00 0.00 O ATOM 501 CB ASP A 34 18.068 -6.212 -4.006 1.00 0.00 C ATOM 502 CG ASP A 34 17.689 -5.792 -5.442 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.255 -4.791 -5.947 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.822 -6.444 -6.060 1.00 0.00 O ATOM 0 H ASP A 34 18.588 -6.495 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 34 17.885 -4.248 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.154 -6.257 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.692 -7.218 -3.820 1.00 0.00 H new ATOM 509 N ALA A 35 15.374 -6.363 -2.569 1.00 0.00 N ATOM 510 CA ALA A 35 13.909 -6.524 -2.553 1.00 0.00 C ATOM 511 C ALA A 35 13.242 -5.571 -1.540 1.00 0.00 C ATOM 512 O ALA A 35 12.124 -5.135 -1.746 1.00 0.00 O ATOM 513 CB ALA A 35 13.538 -7.986 -2.266 1.00 0.00 C ATOM 0 H ALA A 35 15.881 -7.187 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 35 13.530 -6.257 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.453 -8.091 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.958 -8.627 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.939 -8.279 -1.296 1.00 0.00 H new ATOM 519 N ARG A 36 13.964 -5.258 -0.458 1.00 0.00 N ATOM 520 CA ARG A 36 13.499 -4.356 0.617 1.00 0.00 C ATOM 521 C ARG A 36 13.459 -2.924 0.099 1.00 0.00 C ATOM 522 O ARG A 36 12.459 -2.233 0.250 1.00 0.00 O ATOM 523 CB ARG A 36 14.405 -4.481 1.868 1.00 0.00 C ATOM 524 CG ARG A 36 14.028 -3.555 3.046 1.00 0.00 C ATOM 525 CD ARG A 36 14.881 -3.801 4.300 1.00 0.00 C ATOM 526 NE ARG A 36 14.644 -2.775 5.333 1.00 0.00 N ATOM 527 CZ ARG A 36 14.758 -2.964 6.654 1.00 0.00 C ATOM 528 NH1 ARG A 36 15.052 -4.164 7.151 1.00 0.00 N ATOM 529 NH2 ARG A 36 14.566 -1.946 7.474 1.00 0.00 N ATOM 0 H ARG A 36 14.901 -5.626 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 36 12.491 -4.644 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.378 -5.514 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.433 -4.270 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.140 -2.516 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.977 -3.701 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.653 -4.786 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.936 -3.805 4.027 1.00 0.00 H new ATOM 0 HE ARG A 36 14.371 -1.845 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.194 -4.955 6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.135 -4.292 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.333 -1.026 7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.651 -2.080 8.482 1.00 0.00 H new ATOM 543 N LYS A 37 14.559 -2.530 -0.542 1.00 0.00 N ATOM 544 CA LYS A 37 14.699 -1.247 -1.248 1.00 0.00 C ATOM 545 C LYS A 37 13.588 -1.076 -2.297 1.00 0.00 C ATOM 546 O LYS A 37 13.042 0.010 -2.447 1.00 0.00 O ATOM 547 CB LYS A 37 16.079 -1.220 -1.947 1.00 0.00 C ATOM 548 CG LYS A 37 16.323 -0.048 -2.932 1.00 0.00 C ATOM 549 CD LYS A 37 17.501 -0.314 -3.896 1.00 0.00 C ATOM 550 CE LYS A 37 17.246 -1.538 -4.801 1.00 0.00 C ATOM 551 NZ LYS A 37 18.409 -1.855 -5.655 1.00 0.00 N ATOM 0 H LYS A 37 15.400 -3.105 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 37 14.618 -0.431 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.852 -1.189 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.207 -2.156 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.417 0.128 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.521 0.862 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.667 0.567 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.412 -0.474 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.007 -2.402 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.377 -1.347 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.443 -2.880 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.321 -1.352 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.283 -1.556 -5.177 1.00 0.00 H new ATOM 565 N ALA A 38 13.245 -2.182 -2.976 1.00 0.00 N ATOM 566 CA ALA A 38 12.353 -2.171 -4.135 1.00 0.00 C ATOM 567 C ALA A 38 10.880 -2.223 -3.685 1.00 0.00 C ATOM 568 O ALA A 38 10.005 -1.669 -4.354 1.00 0.00 O ATOM 569 CB ALA A 38 12.693 -3.347 -5.063 1.00 0.00 C ATOM 0 H ALA A 38 13.584 -3.112 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 38 12.496 -1.243 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.026 -3.335 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.725 -3.257 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.569 -4.285 -4.522 1.00 0.00 H new ATOM 575 N THR A 39 10.619 -2.881 -2.532 1.00 0.00 N ATOM 576 CA THR A 39 9.270 -2.974 -1.948 1.00 0.00 C ATOM 577 C THR A 39 8.905 -1.635 -1.310 1.00 0.00 C ATOM 578 O THR A 39 7.779 -1.177 -1.451 1.00 0.00 O ATOM 579 CB THR A 39 9.160 -4.134 -0.903 1.00 0.00 C ATOM 580 OG1 THR A 39 9.439 -5.384 -1.535 1.00 0.00 O ATOM 581 CG2 THR A 39 7.776 -4.222 -0.248 1.00 0.00 C ATOM 0 H THR A 39 11.336 -3.358 -1.986 1.00 0.00 H new ATOM 0 HA THR A 39 8.566 -3.205 -2.748 1.00 0.00 H new ATOM 0 HB THR A 39 9.888 -3.915 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.408 -5.491 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.763 -5.045 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.559 -3.288 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.021 -4.395 -1.015 1.00 0.00 H new ATOM 589 N ILE A 40 9.889 -1.013 -0.631 1.00 0.00 N ATOM 590 CA ILE A 40 9.769 0.361 -0.113 1.00 0.00 C ATOM 591 C ILE A 40 9.496 1.320 -1.287 1.00 0.00 C ATOM 592 O ILE A 40 8.465 1.975 -1.315 1.00 0.00 O ATOM 593 CB ILE A 40 11.064 0.790 0.695 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.152 0.008 2.049 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.152 2.318 0.927 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.986 0.228 3.006 1.00 0.00 C ATOM 0 H ILE A 40 10.788 -1.450 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 40 8.934 0.407 0.586 1.00 0.00 H new ATOM 0 HB ILE A 40 11.923 0.525 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.225 -1.057 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.074 0.293 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.059 2.550 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.176 2.831 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.283 2.651 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.143 -0.357 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.921 1.285 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.058 -0.086 2.528 1.00 0.00 H new ATOM 608 N LEU A 41 10.392 1.284 -2.290 1.00 0.00 N ATOM 609 CA LEU A 41 10.320 2.118 -3.515 1.00 0.00 C ATOM 610 C LEU A 41 8.951 2.018 -4.217 1.00 0.00 C ATOM 611 O LEU A 41 8.446 3.012 -4.748 1.00 0.00 O ATOM 612 CB LEU A 41 11.509 1.743 -4.465 1.00 0.00 C ATOM 613 CG LEU A 41 11.388 2.097 -5.995 1.00 0.00 C ATOM 614 CD1 LEU A 41 12.742 2.548 -6.583 1.00 0.00 C ATOM 615 CD2 LEU A 41 10.830 0.897 -6.810 1.00 0.00 C ATOM 0 H LEU A 41 11.203 0.665 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 41 10.418 3.165 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.406 2.230 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.671 0.668 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 41 10.687 2.928 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.619 2.784 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.092 3.433 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.472 1.746 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.759 1.173 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.499 0.043 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.841 0.632 -6.436 1.00 0.00 H new ATOM 627 N GLN A 42 8.340 0.823 -4.162 1.00 0.00 N ATOM 628 CA GLN A 42 7.035 0.562 -4.784 1.00 0.00 C ATOM 629 C GLN A 42 5.916 1.120 -3.884 1.00 0.00 C ATOM 630 O GLN A 42 5.005 1.797 -4.351 1.00 0.00 O ATOM 631 CB GLN A 42 6.822 -0.958 -4.983 1.00 0.00 C ATOM 632 CG GLN A 42 5.522 -1.328 -5.725 1.00 0.00 C ATOM 633 CD GLN A 42 5.167 -2.808 -5.673 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.484 -3.495 -4.707 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.487 -3.299 -6.697 1.00 0.00 N ATOM 0 H GLN A 42 8.737 0.013 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 42 7.008 1.052 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.669 -1.362 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.819 -1.443 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.699 -0.754 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.615 -1.026 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.242 -2.696 -7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.208 -4.280 -6.701 1.00 0.00 H new ATOM 644 N THR A 43 6.025 0.813 -2.581 1.00 0.00 N ATOM 645 CA THR A 43 5.026 1.179 -1.569 1.00 0.00 C ATOM 646 C THR A 43 4.823 2.697 -1.502 1.00 0.00 C ATOM 647 O THR A 43 3.711 3.137 -1.622 1.00 0.00 O ATOM 648 CB THR A 43 5.391 0.620 -0.146 1.00 0.00 C ATOM 649 OG1 THR A 43 5.396 -0.818 -0.181 1.00 0.00 O ATOM 650 CG2 THR A 43 4.425 1.088 0.965 1.00 0.00 C ATOM 0 H THR A 43 6.818 0.298 -2.199 1.00 0.00 H new ATOM 0 HA THR A 43 4.090 0.716 -1.881 1.00 0.00 H new ATOM 0 HB THR A 43 6.378 1.014 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.144 -1.129 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.736 0.665 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.442 2.176 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.414 0.754 0.733 1.00 0.00 H new ATOM 658 N LEU A 44 5.919 3.477 -1.388 1.00 0.00 N ATOM 659 CA LEU A 44 5.853 4.932 -1.081 1.00 0.00 C ATOM 660 C LEU A 44 5.146 5.718 -2.212 1.00 0.00 C ATOM 661 O LEU A 44 4.353 6.626 -1.947 1.00 0.00 O ATOM 662 CB LEU A 44 7.273 5.523 -0.832 1.00 0.00 C ATOM 663 CG LEU A 44 8.256 4.716 0.094 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.493 5.558 0.476 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.560 4.106 1.338 1.00 0.00 C ATOM 0 H LEU A 44 6.869 3.125 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 44 5.267 5.038 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.756 5.651 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.150 6.517 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 44 8.604 3.867 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.150 4.969 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.030 5.847 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.173 6.453 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.293 3.563 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.123 4.904 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.775 3.422 1.017 1.00 0.00 H new ATOM 677 N ARG A 45 5.434 5.349 -3.478 1.00 0.00 N ATOM 678 CA ARG A 45 4.812 5.996 -4.650 1.00 0.00 C ATOM 679 C ARG A 45 3.323 5.649 -4.740 1.00 0.00 C ATOM 680 O ARG A 45 2.479 6.540 -4.878 1.00 0.00 O ATOM 681 CB ARG A 45 5.558 5.627 -5.959 1.00 0.00 C ATOM 682 CG ARG A 45 5.591 4.122 -6.323 1.00 0.00 C ATOM 683 CD ARG A 45 6.477 3.812 -7.537 1.00 0.00 C ATOM 684 NE ARG A 45 7.856 4.245 -7.299 1.00 0.00 N ATOM 685 CZ ARG A 45 8.876 4.109 -8.135 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.751 3.445 -9.276 1.00 0.00 N ATOM 687 NH2 ARG A 45 10.037 4.642 -7.805 1.00 0.00 N ATOM 0 H ARG A 45 6.093 4.607 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 45 4.896 7.075 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.094 6.169 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.585 5.984 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.951 3.555 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.576 3.782 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.458 2.742 -7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.081 4.314 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 45 8.050 4.694 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.856 3.026 -9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.550 3.354 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.135 5.145 -6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.837 4.551 -8.432 1.00 0.00 H new ATOM 701 N ILE A 46 3.007 4.345 -4.606 1.00 0.00 N ATOM 702 CA ILE A 46 1.625 3.839 -4.685 1.00 0.00 C ATOM 703 C ILE A 46 0.800 4.366 -3.502 1.00 0.00 C ATOM 704 O ILE A 46 -0.366 4.680 -3.659 1.00 0.00 O ATOM 705 CB ILE A 46 1.586 2.259 -4.720 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.300 1.732 -6.001 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.132 1.704 -4.637 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.348 0.215 -6.132 1.00 0.00 C ATOM 0 H ILE A 46 3.701 3.617 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 46 1.189 4.202 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 46 2.117 1.899 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.794 2.142 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.320 2.115 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.156 0.615 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.331 2.033 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.448 2.075 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.864 -0.054 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.882 -0.207 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.333 -0.180 -6.155 1.00 0.00 H new ATOM 720 N GLU A 47 1.462 4.506 -2.343 1.00 0.00 N ATOM 721 CA GLU A 47 0.848 4.916 -1.063 1.00 0.00 C ATOM 722 C GLU A 47 0.317 6.349 -1.161 1.00 0.00 C ATOM 723 O GLU A 47 -0.764 6.640 -0.666 1.00 0.00 O ATOM 724 CB GLU A 47 1.874 4.784 0.117 1.00 0.00 C ATOM 725 CG GLU A 47 1.530 3.723 1.173 1.00 0.00 C ATOM 726 CD GLU A 47 0.283 4.089 1.994 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.416 4.855 2.975 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.827 3.603 1.685 1.00 0.00 O ATOM 0 H GLU A 47 2.464 4.334 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 47 0.010 4.250 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.854 4.553 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.959 5.751 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.368 2.764 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.379 3.596 1.845 1.00 0.00 H new ATOM 735 N ARG A 48 1.111 7.224 -1.811 1.00 0.00 N ATOM 736 CA ARG A 48 0.729 8.622 -2.067 1.00 0.00 C ATOM 737 C ARG A 48 -0.562 8.637 -2.898 1.00 0.00 C ATOM 738 O ARG A 48 -1.552 9.262 -2.513 1.00 0.00 O ATOM 739 CB ARG A 48 1.869 9.371 -2.808 1.00 0.00 C ATOM 740 CG ARG A 48 1.705 10.909 -2.848 1.00 0.00 C ATOM 741 CD ARG A 48 2.848 11.614 -3.596 1.00 0.00 C ATOM 742 NE ARG A 48 4.186 11.234 -3.070 1.00 0.00 N ATOM 743 CZ ARG A 48 5.105 12.087 -2.574 1.00 0.00 C ATOM 744 NH1 ARG A 48 4.836 13.377 -2.430 1.00 0.00 N ATOM 745 NH2 ARG A 48 6.308 11.630 -2.231 1.00 0.00 N ATOM 0 H ARG A 48 2.033 6.979 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 48 0.557 9.135 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.817 9.132 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.928 8.998 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.758 11.156 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.655 11.291 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.793 11.366 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.721 12.694 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 48 4.429 10.244 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.921 13.740 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.544 14.007 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.529 10.641 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.008 12.269 -1.855 1.00 0.00 H new ATOM 759 N ASP A 49 -0.539 7.863 -4.003 1.00 0.00 N ATOM 760 CA ASP A 49 -1.700 7.684 -4.889 1.00 0.00 C ATOM 761 C ASP A 49 -2.907 7.107 -4.123 1.00 0.00 C ATOM 762 O ASP A 49 -4.029 7.519 -4.379 1.00 0.00 O ATOM 763 CB ASP A 49 -1.337 6.779 -6.097 1.00 0.00 C ATOM 764 CG ASP A 49 -0.433 7.490 -7.122 1.00 0.00 C ATOM 765 OD1 ASP A 49 0.804 7.426 -6.998 1.00 0.00 O ATOM 766 OD2 ASP A 49 -0.963 8.133 -8.057 1.00 0.00 O ATOM 0 H ASP A 49 0.287 7.346 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.982 8.667 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.834 5.882 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.253 6.454 -6.590 1.00 0.00 H new ATOM 771 N GLU A 50 -2.653 6.183 -3.160 1.00 0.00 N ATOM 772 CA GLU A 50 -3.715 5.568 -2.319 1.00 0.00 C ATOM 773 C GLU A 50 -4.423 6.637 -1.491 1.00 0.00 C ATOM 774 O GLU A 50 -5.645 6.679 -1.450 1.00 0.00 O ATOM 775 CB GLU A 50 -3.157 4.468 -1.357 1.00 0.00 C ATOM 776 CG GLU A 50 -2.608 3.189 -2.035 1.00 0.00 C ATOM 777 CD GLU A 50 -3.637 2.305 -2.778 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.836 2.656 -2.878 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.233 1.242 -3.301 1.00 0.00 O ATOM 0 H GLU A 50 -1.715 5.845 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.417 5.093 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.360 4.908 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.951 4.178 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.836 3.484 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.123 2.580 -1.272 1.00 0.00 H new ATOM 786 N ARG A 51 -3.627 7.519 -0.864 1.00 0.00 N ATOM 787 CA ARG A 51 -4.145 8.590 0.002 1.00 0.00 C ATOM 788 C ARG A 51 -5.048 9.554 -0.794 1.00 0.00 C ATOM 789 O ARG A 51 -5.997 10.113 -0.250 1.00 0.00 O ATOM 790 CB ARG A 51 -2.982 9.375 0.645 1.00 0.00 C ATOM 791 CG ARG A 51 -1.973 8.548 1.465 1.00 0.00 C ATOM 792 CD ARG A 51 -2.621 7.750 2.602 1.00 0.00 C ATOM 793 NE ARG A 51 -1.609 7.048 3.402 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.070 7.498 4.544 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.407 8.688 5.047 1.00 0.00 N ATOM 796 NH2 ARG A 51 -0.150 6.766 5.150 1.00 0.00 N ATOM 0 H ARG A 51 -2.610 7.510 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.740 8.126 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.439 9.891 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.404 10.142 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.452 7.860 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.221 9.217 1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.192 8.422 3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.326 7.029 2.188 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.289 6.142 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.086 9.273 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.985 9.012 5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.139 5.874 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.271 7.093 6.020 1.00 0.00 H new ATOM 810 N LEU A 52 -4.734 9.738 -2.089 1.00 0.00 N ATOM 811 CA LEU A 52 -5.542 10.574 -2.993 1.00 0.00 C ATOM 812 C LEU A 52 -6.855 9.852 -3.402 1.00 0.00 C ATOM 813 O LEU A 52 -7.949 10.356 -3.138 1.00 0.00 O ATOM 814 CB LEU A 52 -4.707 11.016 -4.242 1.00 0.00 C ATOM 815 CG LEU A 52 -3.779 12.277 -4.056 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.675 12.060 -3.012 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.183 12.740 -5.403 1.00 0.00 C ATOM 0 H LEU A 52 -3.920 9.315 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.827 11.478 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.084 10.176 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.398 11.218 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.419 13.071 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.070 12.963 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.127 11.836 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.043 11.226 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.548 13.611 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.589 11.934 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.990 13.002 -6.087 1.00 0.00 H new ATOM 829 N ARG A 53 -6.733 8.654 -4.010 1.00 0.00 N ATOM 830 CA ARG A 53 -7.870 7.949 -4.665 1.00 0.00 C ATOM 831 C ARG A 53 -8.842 7.295 -3.665 1.00 0.00 C ATOM 832 O ARG A 53 -10.018 7.106 -3.981 1.00 0.00 O ATOM 833 CB ARG A 53 -7.353 6.898 -5.681 1.00 0.00 C ATOM 834 CG ARG A 53 -6.492 5.752 -5.094 1.00 0.00 C ATOM 835 CD ARG A 53 -5.905 4.855 -6.198 1.00 0.00 C ATOM 836 NE ARG A 53 -4.866 3.925 -5.709 1.00 0.00 N ATOM 837 CZ ARG A 53 -4.058 3.210 -6.513 1.00 0.00 C ATOM 838 NH1 ARG A 53 -4.192 3.262 -7.834 1.00 0.00 N ATOM 839 NH2 ARG A 53 -3.126 2.421 -5.991 1.00 0.00 N ATOM 0 H ARG A 53 -5.851 8.145 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.437 8.715 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.212 6.458 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.766 7.414 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.682 6.174 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.101 5.148 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.710 4.280 -6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.480 5.485 -6.979 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.755 3.819 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.914 3.849 -8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.572 2.715 -8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.021 2.356 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.515 1.880 -6.603 1.00 0.00 H new ATOM 853 N ALA A 54 -8.347 6.944 -2.472 1.00 0.00 N ATOM 854 CA ALA A 54 -9.180 6.352 -1.405 1.00 0.00 C ATOM 855 C ALA A 54 -10.001 7.451 -0.704 1.00 0.00 C ATOM 856 O ALA A 54 -11.156 7.232 -0.330 1.00 0.00 O ATOM 857 CB ALA A 54 -8.312 5.580 -0.401 1.00 0.00 C ATOM 0 H ALA A 54 -7.367 7.059 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.873 5.641 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.947 5.153 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.782 4.780 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.590 6.259 0.053 1.00 0.00 H new ATOM 863 N CYS A 55 -9.395 8.646 -0.565 1.00 0.00 N ATOM 864 CA CYS A 55 -10.052 9.825 0.035 1.00 0.00 C ATOM 865 C CYS A 55 -10.836 10.644 -1.023 1.00 0.00 C ATOM 866 O CYS A 55 -11.307 11.749 -0.738 1.00 0.00 O ATOM 867 CB CYS A 55 -8.989 10.690 0.729 1.00 0.00 C ATOM 868 SG CYS A 55 -8.086 9.807 2.025 1.00 0.00 S ATOM 0 H CYS A 55 -8.436 8.822 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.781 9.486 0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.281 11.051 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.470 11.567 1.163 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.241 10.616 2.593 1.00 0.00 H new ATOM 874 N ASP A 56 -10.993 10.065 -2.234 1.00 0.00 N ATOM 875 CA ASP A 56 -11.738 10.678 -3.357 1.00 0.00 C ATOM 876 C ASP A 56 -13.262 10.737 -3.073 1.00 0.00 C ATOM 877 O ASP A 56 -13.995 11.474 -3.740 1.00 0.00 O ATOM 878 CB ASP A 56 -11.436 9.883 -4.661 1.00 0.00 C ATOM 879 CG ASP A 56 -12.064 10.481 -5.938 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.502 11.451 -6.486 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.117 9.982 -6.392 1.00 0.00 O ATOM 0 H ASP A 56 -10.603 9.151 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.406 11.709 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.356 9.827 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.795 8.861 -4.539 1.00 0.00 H new ATOM 886 N TRP A 57 -13.721 9.979 -2.046 1.00 0.00 N ATOM 887 CA TRP A 57 -15.137 9.956 -1.613 1.00 0.00 C ATOM 888 C TRP A 57 -15.600 11.341 -1.097 1.00 0.00 C ATOM 889 O TRP A 57 -16.789 11.644 -1.129 1.00 0.00 O ATOM 890 CB TRP A 57 -15.375 8.858 -0.527 1.00 0.00 C ATOM 891 CG TRP A 57 -14.761 9.146 0.830 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.452 9.003 1.195 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.444 9.636 2.001 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.280 9.383 2.501 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.483 9.768 3.020 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.774 9.979 2.281 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.806 10.217 4.299 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.092 10.437 3.550 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.108 10.553 4.544 1.00 0.00 C ATOM 0 H TRP A 57 -13.118 9.367 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.738 9.710 -2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.449 8.722 -0.400 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.975 7.913 -0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.666 8.643 0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.393 9.379 3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.537 9.888 1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.054 10.297 5.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.112 10.709 3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.385 10.915 5.523 1.00 0.00 H new ATOM 910 N THR A 58 -14.654 12.160 -0.616 1.00 0.00 N ATOM 911 CA THR A 58 -14.935 13.531 -0.142 1.00 0.00 C ATOM 912 C THR A 58 -14.807 14.543 -1.287 1.00 0.00 C ATOM 913 O THR A 58 -15.503 15.567 -1.316 1.00 0.00 O ATOM 914 CB THR A 58 -13.951 13.930 0.987 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.601 13.820 0.510 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.125 13.046 2.212 1.00 0.00 C ATOM 0 H THR A 58 -13.672 11.895 -0.543 1.00 0.00 H new ATOM 0 HA THR A 58 -15.956 13.543 0.239 1.00 0.00 H new ATOM 0 HB THR A 58 -14.166 14.959 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.422 12.894 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.420 13.352 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.143 13.144 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.937 12.007 1.941 1.00 0.00 H new ATOM 924 N GLN A 59 -13.884 14.226 -2.216 1.00 0.00 N ATOM 925 CA GLN A 59 -13.528 15.087 -3.355 1.00 0.00 C ATOM 926 C GLN A 59 -14.686 15.153 -4.361 1.00 0.00 C ATOM 927 O GLN A 59 -14.898 16.181 -5.012 1.00 0.00 O ATOM 928 CB GLN A 59 -12.216 14.572 -4.016 1.00 0.00 C ATOM 929 CG GLN A 59 -11.040 14.404 -3.026 1.00 0.00 C ATOM 930 CD GLN A 59 -10.659 15.689 -2.287 1.00 0.00 C ATOM 931 OE1 GLN A 59 -9.816 16.451 -2.747 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.273 15.935 -1.136 1.00 0.00 N ATOM 0 H GLN A 59 -13.359 13.352 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.350 16.102 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.414 13.613 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.920 15.266 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.301 13.640 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.169 14.039 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.970 15.281 -0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.048 16.778 -0.608 1.00 0.00 H new ATOM 941 N VAL A 60 -15.433 14.039 -4.482 1.00 0.00 N ATOM 942 CA VAL A 60 -16.714 14.034 -5.187 1.00 0.00 C ATOM 943 C VAL A 60 -17.739 14.790 -4.311 1.00 0.00 C ATOM 944 O VAL A 60 -18.118 14.333 -3.230 1.00 0.00 O ATOM 945 CB VAL A 60 -17.198 12.572 -5.573 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.322 11.626 -4.354 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.515 12.613 -6.387 1.00 0.00 C ATOM 0 H VAL A 60 -15.164 13.133 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.605 14.543 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 60 -16.416 12.151 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.657 10.644 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.352 11.532 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.045 12.035 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.821 11.597 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.295 13.091 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.358 13.180 -7.305 1.00 0.00 H new ATOM 957 N GLN A 61 -18.148 15.984 -4.782 1.00 0.00 N ATOM 958 CA GLN A 61 -18.985 16.924 -4.007 1.00 0.00 C ATOM 959 C GLN A 61 -20.415 16.379 -3.760 1.00 0.00 C ATOM 960 O GLN A 61 -21.196 16.998 -3.029 1.00 0.00 O ATOM 961 CB GLN A 61 -19.035 18.305 -4.715 1.00 0.00 C ATOM 962 CG GLN A 61 -19.740 18.310 -6.085 1.00 0.00 C ATOM 963 CD GLN A 61 -19.736 19.682 -6.756 1.00 0.00 C ATOM 964 OE1 GLN A 61 -18.833 20.006 -7.525 1.00 0.00 O ATOM 965 NE2 GLN A 61 -20.737 20.500 -6.467 1.00 0.00 N ATOM 0 H GLN A 61 -17.907 16.326 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.522 17.041 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.542 19.014 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.015 18.666 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.251 17.590 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.770 17.977 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.471 20.201 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.774 21.429 -6.887 1.00 0.00 H new ATOM 974 N ASP A 62 -20.735 15.226 -4.378 1.00 0.00 N ATOM 975 CA ASP A 62 -22.013 14.509 -4.195 1.00 0.00 C ATOM 976 C ASP A 62 -22.257 14.127 -2.711 1.00 0.00 C ATOM 977 O ASP A 62 -23.411 14.093 -2.265 1.00 0.00 O ATOM 978 CB ASP A 62 -22.025 13.242 -5.100 1.00 0.00 C ATOM 979 CG ASP A 62 -23.342 12.447 -5.041 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.336 12.889 -5.645 1.00 0.00 O ATOM 981 OD2 ASP A 62 -23.396 11.382 -4.383 1.00 0.00 O ATOM 0 H ASP A 62 -20.104 14.759 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.825 15.175 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.839 13.542 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.204 12.589 -4.805 1.00 0.00 H new ATOM 986 N VAL A 63 -21.161 13.850 -1.963 1.00 0.00 N ATOM 987 CA VAL A 63 -21.231 13.511 -0.520 1.00 0.00 C ATOM 988 C VAL A 63 -21.737 14.721 0.292 1.00 0.00 C ATOM 989 O VAL A 63 -21.458 15.873 -0.063 1.00 0.00 O ATOM 990 CB VAL A 63 -19.842 12.987 0.028 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.737 14.068 -0.065 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.967 12.432 1.473 1.00 0.00 C ATOM 0 H VAL A 63 -20.213 13.855 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.945 12.696 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.541 12.161 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.801 13.666 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.603 14.363 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.029 14.938 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.993 12.082 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.322 13.221 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.675 11.603 1.484 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.515 14.456 1.351 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.089 15.509 2.203 1.00 0.00 C ATOM 1004 C VAL A 64 -22.121 15.799 3.364 1.00 0.00 C ATOM 1005 O VAL A 64 -22.206 15.195 4.447 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.530 15.133 2.736 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.188 16.330 3.481 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.433 14.627 1.584 1.00 0.00 C ATOM 0 H VAL A 64 -22.764 13.510 1.641 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.216 16.409 1.601 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.417 14.321 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.177 16.039 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.568 16.615 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.281 17.176 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.418 14.375 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.532 15.408 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.985 13.741 1.133 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.139 16.666 3.078 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.180 17.192 4.065 1.00 0.00 C ATOM 1020 C LEU A 65 -20.191 18.722 3.980 1.00 0.00 C ATOM 1021 O LEU A 65 -20.626 19.289 2.961 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.748 16.649 3.773 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.535 15.112 3.955 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.172 14.663 3.392 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.681 14.708 5.436 1.00 0.00 C ATOM 0 H LEU A 65 -20.985 17.029 2.137 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.466 16.870 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.486 16.911 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.046 17.170 4.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.311 14.600 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.056 13.589 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.123 14.895 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.372 15.187 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.528 13.633 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.938 15.238 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.680 14.967 5.787 1.00 0.00 H new ATOM 1037 N THR A 66 -19.698 19.387 5.032 1.00 0.00 N ATOM 1038 CA THR A 66 -19.545 20.845 5.024 1.00 0.00 C ATOM 1039 C THR A 66 -18.375 21.236 4.100 1.00 0.00 C ATOM 1040 O THR A 66 -17.481 20.410 3.843 1.00 0.00 O ATOM 1041 CB THR A 66 -19.308 21.402 6.458 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.073 20.899 6.971 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.437 21.029 7.434 1.00 0.00 C ATOM 0 H THR A 66 -19.399 18.938 5.898 1.00 0.00 H new ATOM 0 HA THR A 66 -20.470 21.284 4.649 1.00 0.00 H new ATOM 0 HB THR A 66 -19.283 22.489 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.925 21.252 7.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.219 21.444 8.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.381 21.435 7.070 1.00 0.00 H new ATOM 0 HG23 THR A 66 -20.512 19.944 7.506 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.400 22.481 3.590 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.331 23.007 2.720 1.00 0.00 C ATOM 1053 C ALA A 67 -15.964 22.946 3.437 1.00 0.00 C ATOM 1054 O ALA A 67 -14.959 22.593 2.824 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.662 24.440 2.280 1.00 0.00 C ATOM 0 H ALA A 67 -19.154 23.145 3.767 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.267 22.383 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.865 24.817 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.603 24.444 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.753 25.079 3.159 1.00 0.00 H new ATOM 1061 N ASP A 68 -15.971 23.298 4.742 1.00 0.00 N ATOM 1062 CA ASP A 68 -14.794 23.172 5.639 1.00 0.00 C ATOM 1063 C ASP A 68 -14.188 21.746 5.618 1.00 0.00 C ATOM 1064 O ASP A 68 -12.982 21.594 5.429 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.164 23.574 7.093 1.00 0.00 C ATOM 1066 CG ASP A 68 -13.977 23.459 8.080 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -13.179 24.417 8.192 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -13.819 22.396 8.727 1.00 0.00 O ATOM 0 H ASP A 68 -16.795 23.679 5.207 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.035 23.856 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.533 24.600 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.980 22.941 7.441 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.049 20.721 5.828 1.00 0.00 N ATOM 1074 CA GLN A 69 -14.629 19.291 5.817 1.00 0.00 C ATOM 1075 C GLN A 69 -13.987 18.939 4.471 1.00 0.00 C ATOM 1076 O GLN A 69 -12.830 18.533 4.406 1.00 0.00 O ATOM 1077 CB GLN A 69 -15.824 18.339 6.119 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.288 18.357 7.582 1.00 0.00 C ATOM 1079 CD GLN A 69 -17.466 17.419 7.838 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.683 17.928 7.729 1.00 0.00 O flip ATOM 1081 NE2 GLN A 69 -17.274 16.246 8.136 1.00 0.00 N flip ATOM 0 H GLN A 69 -16.044 20.855 6.008 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.892 19.153 6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.663 18.613 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.540 17.321 5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.456 18.073 8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.571 19.373 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.322 15.888 8.211 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.066 15.628 8.309 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.732 19.216 3.405 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.322 18.968 2.008 1.00 0.00 C ATOM 1092 C LYS A 70 -13.040 19.738 1.619 1.00 0.00 C ATOM 1093 O LYS A 70 -12.330 19.320 0.706 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.497 19.317 1.059 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.643 18.282 1.084 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.920 18.768 0.357 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.821 17.622 -0.085 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.021 18.113 -0.797 1.00 0.00 N ATOM 0 H LYS A 70 -15.661 19.629 3.480 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.078 17.910 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.896 20.294 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.117 19.401 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.299 17.357 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.889 18.047 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.479 19.429 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.634 19.356 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.262 16.949 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.126 17.042 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.855 17.577 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.160 19.122 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.893 17.985 -1.821 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.755 20.854 2.322 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.596 21.729 2.023 1.00 0.00 C ATOM 1114 C ALA A 71 -10.341 21.149 2.700 1.00 0.00 C ATOM 1115 O ALA A 71 -9.265 21.123 2.121 1.00 0.00 O ATOM 1116 CB ALA A 71 -11.860 23.167 2.507 1.00 0.00 C ATOM 0 H ALA A 71 -13.317 21.175 3.110 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.440 21.766 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.997 23.792 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.741 23.565 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.029 23.163 3.584 1.00 0.00 H new ATOM 1122 N THR A 72 -10.528 20.755 3.973 1.00 0.00 N ATOM 1123 CA THR A 72 -9.549 19.976 4.761 1.00 0.00 C ATOM 1124 C THR A 72 -9.095 18.699 4.000 1.00 0.00 C ATOM 1125 O THR A 72 -7.915 18.345 4.003 1.00 0.00 O ATOM 1126 CB THR A 72 -10.143 19.575 6.156 1.00 0.00 C ATOM 1127 OG1 THR A 72 -10.784 20.710 6.762 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.059 19.054 7.111 1.00 0.00 C ATOM 0 H THR A 72 -11.378 20.972 4.494 1.00 0.00 H new ATOM 0 HA THR A 72 -8.680 20.615 4.915 1.00 0.00 H new ATOM 0 HB THR A 72 -10.865 18.777 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.645 20.872 6.324 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.513 18.787 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.584 18.174 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.310 19.830 7.269 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.059 18.038 3.334 1.00 0.00 N ATOM 1137 CA TRP A 73 -9.809 16.840 2.505 1.00 0.00 C ATOM 1138 C TRP A 73 -9.198 17.204 1.131 1.00 0.00 C ATOM 1139 O TRP A 73 -8.410 16.433 0.571 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.118 16.042 2.316 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.571 15.254 3.532 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.542 15.583 4.437 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.086 13.965 3.937 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -12.684 14.592 5.368 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -11.801 13.589 5.087 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.113 13.097 3.439 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -11.585 12.384 5.735 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -9.898 11.902 4.089 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -10.632 11.557 5.228 1.00 0.00 C ATOM 0 H TRP A 73 -11.039 18.320 3.354 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.082 16.221 3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.911 16.735 2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.988 15.352 1.482 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.116 16.498 4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.343 14.600 6.147 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.540 13.357 2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.153 12.111 6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.150 11.220 3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.438 10.613 5.716 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.589 18.371 0.586 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.000 18.914 -0.664 1.00 0.00 C ATOM 1162 C ALA A 74 -7.556 19.382 -0.416 1.00 0.00 C ATOM 1163 O ALA A 74 -6.732 19.412 -1.334 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.862 20.061 -1.215 1.00 0.00 C ATOM 0 H ALA A 74 -10.314 18.963 0.991 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.978 18.121 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.414 20.445 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.865 19.692 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.920 20.860 -0.476 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.277 19.723 0.854 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.946 20.110 1.326 1.00 0.00 C ATOM 1172 C LYS A 75 -5.123 18.849 1.582 1.00 0.00 C ATOM 1173 O LYS A 75 -3.913 18.856 1.393 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.043 20.956 2.627 1.00 0.00 C ATOM 1175 CG LYS A 75 -4.682 21.288 3.286 1.00 0.00 C ATOM 1176 CD LYS A 75 -4.805 22.177 4.538 1.00 0.00 C ATOM 1177 CE LYS A 75 -5.350 23.579 4.224 1.00 0.00 C ATOM 1178 NZ LYS A 75 -4.510 24.303 3.235 1.00 0.00 N ATOM 0 H LYS A 75 -7.984 19.736 1.589 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.462 20.720 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.558 21.889 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.659 20.419 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.183 20.358 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.046 21.789 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.461 21.691 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.826 22.270 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.367 23.493 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.405 24.160 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.815 25.296 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.514 24.262 3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.613 23.858 2.300 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.813 17.771 2.030 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.189 16.465 2.309 1.00 0.00 C ATOM 1194 C TYR A 76 -4.433 15.968 1.068 1.00 0.00 C ATOM 1195 O TYR A 76 -3.228 15.718 1.143 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.257 15.434 2.769 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.686 14.052 3.095 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.819 13.883 4.171 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -5.976 12.928 2.312 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.269 12.656 4.457 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.417 11.696 2.597 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.566 11.566 3.674 1.00 0.00 C ATOM 1203 OH TYR A 76 -3.991 10.346 3.963 1.00 0.00 O ATOM 0 H TYR A 76 -6.818 17.788 2.206 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.472 16.582 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.767 15.823 3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.008 15.330 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.574 14.732 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.647 13.025 1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.602 12.548 5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.646 10.840 1.979 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.694 9.690 4.155 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.149 15.924 -0.080 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.560 15.551 -1.383 1.00 0.00 C ATOM 1215 C ARG A 77 -3.417 16.499 -1.743 1.00 0.00 C ATOM 1216 O ARG A 77 -2.306 16.065 -2.054 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.608 15.598 -2.529 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.566 14.394 -2.615 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.391 14.411 -3.918 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.941 13.090 -4.261 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.462 12.763 -5.453 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.676 13.690 -6.383 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -8.785 11.507 -5.698 1.00 0.00 N ATOM 0 H ARG A 77 -6.144 16.145 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.193 14.530 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.203 16.504 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.077 15.684 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.993 13.469 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.240 14.403 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.209 15.125 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.762 14.762 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.925 12.370 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.443 14.665 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.073 13.426 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.638 10.794 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.182 11.249 -6.602 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.729 17.804 -1.708 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.829 18.861 -2.162 1.00 0.00 C ATOM 1239 C GLN A 78 -1.547 18.954 -1.301 1.00 0.00 C ATOM 1240 O GLN A 78 -0.531 19.433 -1.786 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.577 20.231 -2.198 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.853 21.328 -3.008 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.755 20.997 -4.504 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.791 20.157 -4.874 1.00 0.00 O flip ATOM 1245 NE2 GLN A 78 -3.594 21.411 -5.303 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.622 18.152 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.510 18.605 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.570 20.079 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.717 20.583 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.381 22.273 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.850 21.468 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.322 22.054 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.562 21.111 -6.277 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.610 18.476 -0.042 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.460 18.481 0.894 1.00 0.00 C ATOM 1256 C ALA A 79 0.499 17.318 0.580 1.00 0.00 C ATOM 1257 O ALA A 79 1.723 17.456 0.685 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.951 18.408 2.345 1.00 0.00 C ATOM 0 H ALA A 79 -2.458 18.075 0.358 1.00 0.00 H new ATOM 0 HA ALA A 79 0.088 19.415 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.095 18.413 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.585 19.268 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.522 17.491 2.490 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.087 16.172 0.195 1.00 0.00 N ATOM 1265 CA LEU A 80 0.650 14.998 -0.328 1.00 0.00 C ATOM 1266 C LEU A 80 1.381 15.358 -1.635 1.00 0.00 C ATOM 1267 O LEU A 80 2.486 14.885 -1.892 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.358 13.840 -0.568 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.944 13.169 0.725 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.427 12.799 0.568 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.126 11.923 1.118 1.00 0.00 C ATOM 0 H LEU A 80 -1.096 16.028 0.237 1.00 0.00 H new ATOM 0 HA LEU A 80 1.400 14.684 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.187 14.222 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.135 13.071 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.871 13.908 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.786 12.338 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.007 13.699 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.541 12.097 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.552 11.477 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.154 11.198 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.907 12.212 1.311 1.00 0.00 H new ATOM 1283 N ARG A 81 0.723 16.189 -2.461 1.00 0.00 N ATOM 1284 CA ARG A 81 1.286 16.692 -3.735 1.00 0.00 C ATOM 1285 C ARG A 81 2.251 17.874 -3.503 1.00 0.00 C ATOM 1286 O ARG A 81 3.141 18.126 -4.321 1.00 0.00 O ATOM 1287 CB ARG A 81 0.144 17.106 -4.694 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.855 15.969 -5.018 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.843 16.341 -6.134 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.143 16.571 -7.413 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.565 16.169 -8.621 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -2.710 15.506 -8.766 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -0.825 16.429 -9.686 1.00 0.00 N ATOM 0 H ARG A 81 -0.217 16.534 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 81 1.860 15.885 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.402 17.940 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.580 17.468 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.300 15.078 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.412 15.714 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.575 15.543 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.394 17.238 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.260 17.081 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.284 15.295 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.013 15.209 -9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.057 16.931 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.137 16.128 -10.609 1.00 0.00 H new ATOM 1307 N ASP A 82 2.040 18.603 -2.386 1.00 0.00 N ATOM 1308 CA ASP A 82 2.910 19.731 -1.962 1.00 0.00 C ATOM 1309 C ASP A 82 4.281 19.189 -1.557 1.00 0.00 C ATOM 1310 O ASP A 82 5.313 19.847 -1.745 1.00 0.00 O ATOM 1311 CB ASP A 82 2.259 20.505 -0.788 1.00 0.00 C ATOM 1312 CG ASP A 82 3.043 21.754 -0.350 1.00 0.00 C ATOM 1313 OD1 ASP A 82 2.965 22.786 -1.052 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.739 21.707 0.689 1.00 0.00 O ATOM 0 H ASP A 82 1.262 18.429 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 82 3.033 20.424 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.252 20.804 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.159 19.834 0.065 1.00 0.00 H new ATOM 1319 N LEU A 83 4.268 17.977 -0.983 1.00 0.00 N ATOM 1320 CA LEU A 83 5.464 17.155 -0.846 1.00 0.00 C ATOM 1321 C LEU A 83 5.890 16.702 -2.261 1.00 0.00 C ATOM 1322 O LEU A 83 5.054 16.152 -2.993 1.00 0.00 O ATOM 1323 CB LEU A 83 5.166 15.936 0.059 1.00 0.00 C ATOM 1324 CG LEU A 83 4.821 16.265 1.544 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.360 15.004 2.300 1.00 0.00 C ATOM 1326 CD2 LEU A 83 6.015 16.948 2.256 1.00 0.00 C ATOM 0 H LEU A 83 3.425 17.546 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 83 6.271 17.721 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.334 15.380 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.033 15.275 0.044 1.00 0.00 H new ATOM 0 HG LEU A 83 3.990 16.971 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.126 15.264 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.471 14.596 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.156 14.259 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.746 17.166 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.878 16.283 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.262 17.877 1.742 1.00 0.00 H new ATOM 1338 N PRO A 84 7.164 16.977 -2.692 1.00 0.00 N ATOM 1339 CA PRO A 84 7.682 16.532 -4.009 1.00 0.00 C ATOM 1340 C PRO A 84 7.428 15.037 -4.245 1.00 0.00 C ATOM 1341 O PRO A 84 7.830 14.211 -3.412 1.00 0.00 O ATOM 1342 CB PRO A 84 9.203 16.846 -3.923 1.00 0.00 C ATOM 1343 CG PRO A 84 9.286 17.989 -2.961 1.00 0.00 C ATOM 1344 CD PRO A 84 8.192 17.749 -1.940 1.00 0.00 C ATOM 0 HA PRO A 84 7.192 17.032 -4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.768 15.984 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.610 17.115 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.265 18.028 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.142 18.941 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.563 17.190 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.788 18.687 -1.559 1.00 0.00 H new ATOM 1352 N GLU A 85 6.690 14.706 -5.330 1.00 0.00 N ATOM 1353 CA GLU A 85 6.404 13.312 -5.700 1.00 0.00 C ATOM 1354 C GLU A 85 7.729 12.588 -6.004 1.00 0.00 C ATOM 1355 O GLU A 85 8.288 12.703 -7.105 1.00 0.00 O ATOM 1356 CB GLU A 85 5.407 13.237 -6.884 1.00 0.00 C ATOM 1357 CG GLU A 85 4.022 13.846 -6.576 1.00 0.00 C ATOM 1358 CD GLU A 85 2.990 13.614 -7.691 1.00 0.00 C ATOM 1359 OE1 GLU A 85 3.099 14.262 -8.756 1.00 0.00 O ATOM 1360 OE2 GLU A 85 2.063 12.792 -7.508 1.00 0.00 O ATOM 0 H GLU A 85 6.283 15.394 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 85 5.920 12.806 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.837 13.754 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.278 12.194 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.644 13.419 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.133 14.918 -6.412 1.00 0.00 H new ATOM 1367 N THR A 86 8.228 11.898 -4.968 1.00 0.00 N ATOM 1368 CA THR A 86 9.569 11.329 -4.917 1.00 0.00 C ATOM 1369 C THR A 86 9.784 10.274 -6.013 1.00 0.00 C ATOM 1370 O THR A 86 9.156 9.218 -5.999 1.00 0.00 O ATOM 1371 CB THR A 86 9.834 10.733 -3.488 1.00 0.00 C ATOM 1372 OG1 THR A 86 8.708 9.942 -3.073 1.00 0.00 O ATOM 1373 CG2 THR A 86 10.071 11.830 -2.437 1.00 0.00 C ATOM 0 H THR A 86 7.688 11.719 -4.121 1.00 0.00 H new ATOM 0 HA THR A 86 10.289 12.125 -5.107 1.00 0.00 H new ATOM 0 HB THR A 86 10.734 10.121 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.746 9.065 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.250 11.370 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.938 12.425 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.193 12.473 -2.378 1.00 0.00 H new ATOM 1381 N VAL A 87 10.635 10.621 -6.996 1.00 0.00 N ATOM 1382 CA VAL A 87 11.044 9.703 -8.070 1.00 0.00 C ATOM 1383 C VAL A 87 12.147 8.772 -7.531 1.00 0.00 C ATOM 1384 O VAL A 87 13.115 9.257 -6.922 1.00 0.00 O ATOM 1385 CB VAL A 87 11.524 10.487 -9.360 1.00 0.00 C ATOM 1386 CG1 VAL A 87 12.660 11.507 -9.055 1.00 0.00 C ATOM 1387 CG2 VAL A 87 11.918 9.514 -10.506 1.00 0.00 C ATOM 0 H VAL A 87 11.058 11.547 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 87 10.185 9.106 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 87 10.670 11.072 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.949 12.015 -9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.305 12.241 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.522 10.980 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.242 10.087 -11.375 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.731 8.869 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.057 8.902 -10.776 1.00 0.00 H new ATOM 1397 N THR A 88 11.972 7.445 -7.723 1.00 0.00 N ATOM 1398 CA THR A 88 12.850 6.408 -7.129 1.00 0.00 C ATOM 1399 C THR A 88 12.859 6.578 -5.590 1.00 0.00 C ATOM 1400 O THR A 88 13.753 7.215 -5.013 1.00 0.00 O ATOM 1401 CB THR A 88 14.295 6.426 -7.760 1.00 0.00 C ATOM 1402 OG1 THR A 88 14.181 6.299 -9.190 1.00 0.00 O ATOM 1403 CG2 THR A 88 15.197 5.299 -7.224 1.00 0.00 C ATOM 0 H THR A 88 11.219 7.062 -8.294 1.00 0.00 H new ATOM 0 HA THR A 88 12.453 5.420 -7.362 1.00 0.00 H new ATOM 0 HB THR A 88 14.761 7.371 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.075 6.311 -9.592 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.178 5.363 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.305 5.402 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.747 4.333 -7.453 1.00 0.00 H new ATOM 1411 N ASP A 89 11.797 6.044 -4.968 1.00 0.00 N ATOM 1412 CA ASP A 89 11.397 6.352 -3.581 1.00 0.00 C ATOM 1413 C ASP A 89 12.338 5.684 -2.569 1.00 0.00 C ATOM 1414 O ASP A 89 12.094 4.559 -2.113 1.00 0.00 O ATOM 1415 CB ASP A 89 9.930 5.900 -3.341 1.00 0.00 C ATOM 1416 CG ASP A 89 8.910 6.499 -4.322 1.00 0.00 C ATOM 1417 OD1 ASP A 89 9.041 6.260 -5.543 1.00 0.00 O ATOM 1418 OD2 ASP A 89 7.977 7.201 -3.887 1.00 0.00 O ATOM 0 H ASP A 89 11.178 5.372 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 89 11.466 7.430 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.883 4.813 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.641 6.171 -2.326 1.00 0.00 H new ATOM 1423 N LEU A 90 13.440 6.379 -2.254 1.00 0.00 N ATOM 1424 CA LEU A 90 14.485 5.890 -1.332 1.00 0.00 C ATOM 1425 C LEU A 90 14.647 6.879 -0.162 1.00 0.00 C ATOM 1426 O LEU A 90 15.749 7.076 0.365 1.00 0.00 O ATOM 1427 CB LEU A 90 15.820 5.697 -2.113 1.00 0.00 C ATOM 1428 CG LEU A 90 15.759 4.761 -3.371 1.00 0.00 C ATOM 1429 CD1 LEU A 90 17.136 4.634 -4.052 1.00 0.00 C ATOM 1430 CD2 LEU A 90 15.172 3.374 -3.027 1.00 0.00 C ATOM 0 H LEU A 90 13.637 7.305 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 90 14.196 4.925 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.175 6.677 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.565 5.297 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 90 15.082 5.231 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.054 3.978 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.475 5.619 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.854 4.215 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.147 2.757 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.794 2.892 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.160 3.493 -2.640 1.00 0.00 H new ATOM 1442 N SER A 91 13.519 7.473 0.254 1.00 0.00 N ATOM 1443 CA SER A 91 13.459 8.417 1.379 1.00 0.00 C ATOM 1444 C SER A 91 12.168 8.176 2.174 1.00 0.00 C ATOM 1445 O SER A 91 11.088 8.076 1.576 1.00 0.00 O ATOM 1446 CB SER A 91 13.528 9.874 0.860 1.00 0.00 C ATOM 1447 OG SER A 91 12.520 10.140 -0.107 1.00 0.00 O ATOM 0 H SER A 91 12.613 7.310 -0.186 1.00 0.00 H new ATOM 0 HA SER A 91 14.313 8.257 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.419 10.563 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.509 10.057 0.422 1.00 0.00 H new ATOM 0 HG SER A 91 11.750 9.556 0.054 1.00 0.00 H new ATOM 1453 N GLN A 92 12.292 8.093 3.517 1.00 0.00 N ATOM 1454 CA GLN A 92 11.159 7.839 4.431 1.00 0.00 C ATOM 1455 C GLN A 92 10.097 8.946 4.278 1.00 0.00 C ATOM 1456 O GLN A 92 10.327 10.101 4.665 1.00 0.00 O ATOM 1457 CB GLN A 92 11.657 7.749 5.903 1.00 0.00 C ATOM 1458 CG GLN A 92 10.547 7.524 6.952 1.00 0.00 C ATOM 1459 CD GLN A 92 11.091 7.358 8.370 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.262 8.332 9.100 1.00 0.00 O ATOM 1461 NE2 GLN A 92 11.361 6.123 8.769 1.00 0.00 N ATOM 0 H GLN A 92 13.185 8.201 3.998 1.00 0.00 H new ATOM 0 HA GLN A 92 10.703 6.884 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.378 6.935 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.188 8.669 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.857 8.368 6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.974 6.637 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.207 5.338 8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.723 5.958 9.708 1.00 0.00 H new ATOM 1470 N ILE A 93 8.966 8.587 3.649 1.00 0.00 N ATOM 1471 CA ILE A 93 7.838 9.504 3.428 1.00 0.00 C ATOM 1472 C ILE A 93 7.082 9.766 4.751 1.00 0.00 C ATOM 1473 O ILE A 93 6.723 8.839 5.480 1.00 0.00 O ATOM 1474 CB ILE A 93 6.864 9.003 2.258 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.629 7.446 2.252 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.406 9.454 0.869 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.879 6.834 3.421 1.00 0.00 C ATOM 0 H ILE A 93 8.809 7.650 3.279 1.00 0.00 H new ATOM 0 HA ILE A 93 8.247 10.455 3.086 1.00 0.00 H new ATOM 0 HB ILE A 93 5.898 9.466 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.089 7.193 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.603 6.961 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.733 9.106 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.467 10.542 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.398 9.030 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.796 5.757 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.420 7.035 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.882 7.270 3.482 1.00 0.00 H new ATOM 1489 N VAL A 94 6.944 11.045 5.113 1.00 0.00 N ATOM 1490 CA VAL A 94 6.081 11.499 6.206 1.00 0.00 C ATOM 1491 C VAL A 94 5.108 12.515 5.609 1.00 0.00 C ATOM 1492 O VAL A 94 5.521 13.567 5.104 1.00 0.00 O ATOM 1493 CB VAL A 94 6.912 12.137 7.381 1.00 0.00 C ATOM 1494 CG1 VAL A 94 5.991 12.689 8.509 1.00 0.00 C ATOM 1495 CG2 VAL A 94 7.954 11.127 7.947 1.00 0.00 C ATOM 0 H VAL A 94 7.437 11.806 4.647 1.00 0.00 H new ATOM 0 HA VAL A 94 5.547 10.654 6.640 1.00 0.00 H new ATOM 0 HB VAL A 94 7.458 12.985 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.604 13.121 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.334 13.456 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.390 11.877 8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.513 11.596 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.437 10.245 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.642 10.832 7.155 1.00 0.00 H new ATOM 1505 N TRP A 95 3.829 12.161 5.640 1.00 0.00 N ATOM 1506 CA TRP A 95 2.734 12.924 5.025 1.00 0.00 C ATOM 1507 C TRP A 95 1.524 12.963 5.974 1.00 0.00 C ATOM 1508 O TRP A 95 1.481 12.172 6.923 1.00 0.00 O ATOM 1509 CB TRP A 95 2.372 12.308 3.641 1.00 0.00 C ATOM 1510 CG TRP A 95 2.322 10.803 3.547 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.831 9.905 4.458 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.748 10.034 2.421 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.967 8.633 3.974 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.515 8.688 2.725 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.309 10.367 1.179 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.828 7.673 1.843 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.617 9.352 0.303 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.371 8.019 0.639 1.00 0.00 C ATOM 0 H TRP A 95 3.509 11.312 6.106 1.00 0.00 H new ATOM 0 HA TRP A 95 3.051 13.953 4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.399 12.697 3.342 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.097 12.668 2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.401 10.163 5.415 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.702 7.780 4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.495 11.398 0.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.649 6.639 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.054 9.589 -0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.616 7.243 -0.071 1.00 0.00 H new ATOM 1529 N PRO A 96 0.535 13.898 5.747 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.692 13.981 6.578 1.00 0.00 C ATOM 1531 C PRO A 96 -1.428 12.626 6.746 1.00 0.00 C ATOM 1532 O PRO A 96 -1.546 11.840 5.791 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.583 14.993 5.802 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.620 15.859 5.051 1.00 0.00 C ATOM 1535 CD PRO A 96 0.548 14.968 4.695 1.00 0.00 C ATOM 0 HA PRO A 96 -0.455 14.281 7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.264 14.480 5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.196 15.583 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.083 16.272 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.296 16.703 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.435 14.545 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.487 15.522 4.703 1.00 0.00 H new ATOM 1543 N GLN A 97 -1.846 12.347 7.983 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.899 11.367 8.274 1.00 0.00 C ATOM 1545 C GLN A 97 -4.241 12.078 8.050 1.00 0.00 C ATOM 1546 O GLN A 97 -4.334 13.297 8.270 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.786 10.854 9.733 1.00 0.00 C ATOM 1548 CG GLN A 97 -3.814 9.766 10.118 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.760 9.357 11.592 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.430 10.163 12.465 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.068 8.100 11.878 1.00 0.00 N ATOM 0 H GLN A 97 -1.463 12.795 8.815 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.808 10.496 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.783 10.457 9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.902 11.700 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.816 10.129 9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.644 8.884 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.337 7.458 11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.036 7.774 12.844 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.259 11.337 7.593 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.579 11.906 7.282 1.00 0.00 C ATOM 1562 C LEU A 98 -7.225 12.593 8.520 1.00 0.00 C ATOM 1563 O LEU A 98 -7.012 12.145 9.656 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.497 10.824 6.626 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.568 9.400 7.284 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.301 9.397 8.643 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.200 8.373 6.315 1.00 0.00 C ATOM 0 H LEU A 98 -5.193 10.332 7.429 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.448 12.702 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.510 11.225 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.172 10.696 5.594 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.539 9.104 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.316 8.384 9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.781 10.056 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.324 9.748 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.237 7.395 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.211 8.690 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.598 8.309 5.409 1.00 0.00 H new ATOM 1579 N PRO A 99 -7.980 13.722 8.320 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.569 14.513 9.439 1.00 0.00 C ATOM 1581 C PRO A 99 -9.653 13.749 10.241 1.00 0.00 C ATOM 1582 O PRO A 99 -9.701 13.833 11.475 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.168 15.754 8.720 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.407 15.304 7.305 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.289 14.335 6.995 1.00 0.00 C ATOM 0 HA PRO A 99 -7.821 14.757 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.095 16.076 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.482 16.600 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.381 14.825 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.396 16.149 6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.599 13.584 6.268 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.421 14.845 6.577 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.504 13.003 9.521 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.692 12.334 10.090 1.00 0.00 C ATOM 1595 C VAL A 100 -11.381 10.834 10.324 1.00 0.00 C ATOM 1596 O VAL A 100 -11.035 10.458 11.462 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.937 12.518 9.137 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.221 11.887 9.740 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.155 14.016 8.779 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.431 10.046 9.352 1.00 0.00 O ATOM 0 H VAL A 100 -10.390 12.844 8.520 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.939 12.790 11.049 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.720 11.984 8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.055 12.035 9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.063 10.820 9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.447 12.363 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.019 14.111 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.329 14.587 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.270 14.402 8.273 1.00 0.00 H new TER 1610 VAL A 100