USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0199) USER MOD Set 1.2: A 78 TYR OH : rot 14:sc= 0.519 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.0343 K(o=-4.5,f=-6.8) USER MOD Set 2.2: A 21 ASN : amide:sc= -4.48! C(o=-4.5!,f=-5.4!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.014) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 123:sc= 0.439 USER MOD Single : A 17 ASN : amide:sc= 0.959 K(o=0.96,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0689 (180deg=-0.278) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 24 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-5.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.97 K(o=-2,f=-0.93) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.145) USER MOD Single : A 51 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -53:sc= 0.0912 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc=-0.000738 (180deg=-0.165) USER MOD Single : A 61 SER OG : rot 176:sc= 0.685 USER MOD Single : A 63 TYR OH : rot -89:sc= 1.26 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -115:sc= 1.57 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.7) USER MOD Single : A 84 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-10!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.191 (180deg=-0.772) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -142:sc= -0.636 (180deg=-3.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.721 -7.462 7.460 1.00 0.00 N ATOM 2 CA MET A 6 5.286 -7.465 7.688 1.00 0.00 C ATOM 3 C MET A 6 4.716 -6.099 7.345 1.00 0.00 C ATOM 4 O MET A 6 5.204 -5.076 7.829 1.00 0.00 O ATOM 5 CB MET A 6 4.959 -7.819 9.141 1.00 0.00 C ATOM 6 CG MET A 6 3.465 -7.864 9.430 1.00 0.00 C ATOM 7 SD MET A 6 3.094 -8.334 11.133 1.00 0.00 S ATOM 8 CE MET A 6 1.302 -8.314 11.099 1.00 0.00 C ATOM 0 HA MET A 6 4.835 -8.223 7.047 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.397 -8.788 9.379 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.427 -7.088 9.800 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.031 -6.885 9.225 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.990 -8.572 8.751 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.916 -8.584 12.082 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.954 -7.315 10.835 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.944 -9.030 10.359 1.00 0.00 H new ATOM 17 N ILE A 7 3.696 -6.082 6.508 1.00 0.00 N ATOM 18 CA ILE A 7 3.094 -4.828 6.085 1.00 0.00 C ATOM 19 C ILE A 7 1.831 -4.566 6.884 1.00 0.00 C ATOM 20 O ILE A 7 1.156 -5.502 7.312 1.00 0.00 O ATOM 21 CB ILE A 7 2.706 -4.831 4.582 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.546 -5.822 3.781 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.852 -3.442 3.980 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.973 -6.123 2.408 1.00 0.00 C ATOM 0 H ILE A 7 3.267 -6.917 6.108 1.00 0.00 H new ATOM 0 HA ILE A 7 3.842 -4.054 6.254 1.00 0.00 H new ATOM 0 HB ILE A 7 1.662 -5.141 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.554 -5.424 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.632 -6.752 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.574 -3.471 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.200 -2.746 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.887 -3.112 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.619 -6.834 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.976 -6.550 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.912 -5.201 1.829 1.00 0.00 H new ATOM 36 N GLN A 8 1.522 -3.296 7.084 1.00 0.00 N ATOM 37 CA GLN A 8 0.289 -2.911 7.750 1.00 0.00 C ATOM 38 C GLN A 8 -0.375 -1.755 7.009 1.00 0.00 C ATOM 39 O GLN A 8 0.204 -0.676 6.878 1.00 0.00 O ATOM 40 CB GLN A 8 0.564 -2.527 9.204 1.00 0.00 C ATOM 41 CG GLN A 8 0.919 -3.714 10.100 1.00 0.00 C ATOM 42 CD GLN A 8 1.217 -3.295 11.528 1.00 0.00 C ATOM 43 OE1 GLN A 8 0.963 -4.043 12.475 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.768 -2.103 11.692 1.00 0.00 N ATOM 0 H GLN A 8 2.108 -2.513 6.794 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.390 -3.763 7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.381 -1.806 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.315 -2.027 9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.094 -4.426 10.098 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.786 -4.230 9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.962 -1.515 10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.999 -1.772 12.629 1.00 0.00 H new ATOM 53 N VAL A 9 -1.575 -1.991 6.495 1.00 0.00 N ATOM 54 CA VAL A 9 -2.326 -0.948 5.807 1.00 0.00 C ATOM 55 C VAL A 9 -3.312 -0.258 6.744 1.00 0.00 C ATOM 56 O VAL A 9 -3.823 -0.860 7.691 1.00 0.00 O ATOM 57 CB VAL A 9 -3.091 -1.482 4.571 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.186 -1.529 3.349 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.668 -2.858 4.855 1.00 0.00 C ATOM 0 H VAL A 9 -2.049 -2.893 6.541 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.584 -0.227 5.465 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.912 -0.797 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.747 -1.908 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.821 -0.526 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.340 -2.187 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.202 -3.217 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.860 -3.549 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.357 -2.797 5.698 1.00 0.00 H new ATOM 69 N TYR A 10 -3.573 1.006 6.447 1.00 0.00 N ATOM 70 CA TYR A 10 -4.430 1.869 7.254 1.00 0.00 C ATOM 71 C TYR A 10 -5.061 2.922 6.354 1.00 0.00 C ATOM 72 O TYR A 10 -4.780 2.971 5.155 1.00 0.00 O ATOM 73 CB TYR A 10 -3.632 2.597 8.348 1.00 0.00 C ATOM 74 CG TYR A 10 -3.164 1.735 9.518 1.00 0.00 C ATOM 75 CD1 TYR A 10 -4.044 0.913 10.221 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.836 1.764 9.931 1.00 0.00 C ATOM 77 CE1 TYR A 10 -3.607 0.148 11.295 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.395 1.003 10.998 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.283 0.200 11.675 1.00 0.00 C ATOM 80 OH TYR A 10 -1.840 -0.550 12.740 1.00 0.00 O ATOM 0 H TYR A 10 -3.190 1.471 5.624 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.186 1.242 7.727 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.757 3.056 7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.247 3.406 8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.082 0.870 9.926 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.134 2.395 9.407 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.301 -0.484 11.829 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.358 1.039 11.298 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.881 -0.396 12.872 1.00 0.00 H new ATOM 90 N SER A 11 -5.911 3.759 6.924 1.00 0.00 N ATOM 91 CA SER A 11 -6.442 4.910 6.205 1.00 0.00 C ATOM 92 C SER A 11 -6.284 6.183 7.029 1.00 0.00 C ATOM 93 O SER A 11 -6.114 6.130 8.251 1.00 0.00 O ATOM 94 CB SER A 11 -7.915 4.698 5.871 1.00 0.00 C ATOM 95 OG SER A 11 -8.099 3.513 5.113 1.00 0.00 O ATOM 0 H SER A 11 -6.249 3.665 7.882 1.00 0.00 H new ATOM 0 HA SER A 11 -5.877 5.017 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.495 4.639 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.292 5.554 5.311 1.00 0.00 H new ATOM 0 HG SER A 11 -8.728 2.922 5.577 1.00 0.00 H new ATOM 101 N ARG A 12 -6.325 7.325 6.344 1.00 0.00 N ATOM 102 CA ARG A 12 -6.167 8.621 7.001 1.00 0.00 C ATOM 103 C ARG A 12 -7.490 9.116 7.583 1.00 0.00 C ATOM 104 O ARG A 12 -7.512 10.027 8.411 1.00 0.00 O ATOM 105 CB ARG A 12 -5.615 9.666 6.023 1.00 0.00 C ATOM 106 CG ARG A 12 -4.387 10.410 6.535 1.00 0.00 C ATOM 107 CD ARG A 12 -4.571 10.897 7.964 1.00 0.00 C ATOM 108 NE ARG A 12 -4.262 9.852 8.943 1.00 0.00 N ATOM 109 CZ ARG A 12 -3.802 10.090 10.171 1.00 0.00 C ATOM 110 NH1 ARG A 12 -3.536 11.329 10.561 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.592 9.083 11.005 1.00 0.00 N ATOM 0 H ARG A 12 -6.466 7.379 5.335 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.457 8.484 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.362 9.172 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.399 10.390 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.518 9.754 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.182 11.261 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.928 11.759 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.599 11.232 8.103 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.408 8.881 8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.683 12.108 9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.184 11.503 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.782 8.126 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.240 9.264 11.945 1.00 0.00 H new ATOM 125 N HIS A 13 -8.581 8.514 7.149 1.00 0.00 N ATOM 126 CA HIS A 13 -9.913 8.886 7.619 1.00 0.00 C ATOM 127 C HIS A 13 -10.759 7.630 7.826 1.00 0.00 C ATOM 128 O HIS A 13 -10.379 6.552 7.367 1.00 0.00 O ATOM 129 CB HIS A 13 -10.600 9.818 6.615 1.00 0.00 C ATOM 130 CG HIS A 13 -9.973 11.174 6.502 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.125 11.489 5.469 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.110 12.254 7.306 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.768 12.746 5.666 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.340 13.249 6.766 1.00 0.00 N ATOM 0 H HIS A 13 -8.576 7.757 6.465 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.812 9.414 8.567 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.592 9.344 5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.644 9.937 6.903 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.831 10.878 4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.711 12.319 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.100 13.297 5.021 1.00 0.00 H new ATOM 142 N PRO A 14 -11.909 7.750 8.522 1.00 0.00 N ATOM 143 CA PRO A 14 -12.818 6.615 8.764 1.00 0.00 C ATOM 144 C PRO A 14 -13.452 6.095 7.471 1.00 0.00 C ATOM 145 O PRO A 14 -13.808 6.876 6.585 1.00 0.00 O ATOM 146 CB PRO A 14 -13.902 7.198 9.684 1.00 0.00 C ATOM 147 CG PRO A 14 -13.315 8.467 10.221 1.00 0.00 C ATOM 148 CD PRO A 14 -12.422 8.988 9.133 1.00 0.00 C ATOM 0 HA PRO A 14 -12.290 5.764 9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.823 7.391 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.150 6.506 10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.095 9.187 10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.752 8.283 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.970 9.598 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.618 9.608 9.530 1.00 0.00 H new ATOM 156 N ALA A 15 -13.567 4.775 7.369 1.00 0.00 N ATOM 157 CA ALA A 15 -14.174 4.121 6.209 1.00 0.00 C ATOM 158 C ALA A 15 -15.626 4.533 6.024 1.00 0.00 C ATOM 159 O ALA A 15 -16.493 4.089 6.777 1.00 0.00 O ATOM 160 CB ALA A 15 -14.108 2.604 6.370 1.00 0.00 C ATOM 0 H ALA A 15 -13.243 4.126 8.086 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.611 4.433 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.562 2.126 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.067 2.292 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.648 2.310 7.270 1.00 0.00 H new ATOM 166 N GLU A 16 -15.904 5.382 5.041 1.00 0.00 N ATOM 167 CA GLU A 16 -17.291 5.713 4.731 1.00 0.00 C ATOM 168 C GLU A 16 -17.692 5.159 3.357 1.00 0.00 C ATOM 169 O GLU A 16 -17.052 5.455 2.344 1.00 0.00 O ATOM 170 CB GLU A 16 -17.538 7.224 4.799 1.00 0.00 C ATOM 171 CG GLU A 16 -17.885 7.735 6.190 1.00 0.00 C ATOM 172 CD GLU A 16 -19.131 7.091 6.757 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.006 6.120 7.530 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.244 7.560 6.437 1.00 0.00 O ATOM 0 H GLU A 16 -15.207 5.844 4.457 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.917 5.241 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.648 7.743 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.349 7.480 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.047 7.547 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.025 8.815 6.151 1.00 0.00 H new ATOM 181 N ASN A 17 -18.751 4.353 3.344 1.00 0.00 N ATOM 182 CA ASN A 17 -19.242 3.687 2.134 1.00 0.00 C ATOM 183 C ASN A 17 -19.788 4.704 1.123 1.00 0.00 C ATOM 184 O ASN A 17 -20.932 5.149 1.221 1.00 0.00 O ATOM 185 CB ASN A 17 -20.324 2.648 2.558 1.00 0.00 C ATOM 186 CG ASN A 17 -19.743 1.307 2.989 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.596 1.220 3.429 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.542 0.250 2.875 1.00 0.00 N ATOM 0 H ASN A 17 -19.299 4.140 4.178 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.424 3.171 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.911 3.061 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.008 2.488 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.211 -0.673 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.486 0.362 2.506 1.00 0.00 H new ATOM 195 N GLY A 18 -18.946 5.072 0.148 1.00 0.00 N ATOM 196 CA GLY A 18 -19.345 6.051 -0.860 1.00 0.00 C ATOM 197 C GLY A 18 -18.409 7.236 -0.957 1.00 0.00 C ATOM 198 O GLY A 18 -18.563 8.067 -1.853 1.00 0.00 O ATOM 0 H GLY A 18 -17.999 4.710 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.397 5.559 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.348 6.409 -0.630 1.00 0.00 H new ATOM 202 N LYS A 19 -17.433 7.337 -0.062 1.00 0.00 N ATOM 203 CA LYS A 19 -16.477 8.445 -0.149 1.00 0.00 C ATOM 204 C LYS A 19 -15.200 8.001 -0.833 1.00 0.00 C ATOM 205 O LYS A 19 -14.832 6.830 -0.786 1.00 0.00 O ATOM 206 CB LYS A 19 -16.076 8.988 1.225 1.00 0.00 C ATOM 207 CG LYS A 19 -17.188 9.130 2.245 1.00 0.00 C ATOM 208 CD LYS A 19 -18.297 10.075 1.830 1.00 0.00 C ATOM 209 CE LYS A 19 -17.800 11.504 1.641 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.072 12.014 2.839 1.00 0.00 N ATOM 0 H LYS A 19 -17.281 6.689 0.711 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.985 9.224 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.312 8.332 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.615 9.965 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.617 8.147 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.761 9.480 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.743 9.722 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.083 10.063 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.141 11.545 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.647 12.156 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.932 13.041 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.628 11.814 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.147 11.544 2.910 1.00 0.00 H new ATOM 224 N SER A 20 -14.525 8.949 -1.456 1.00 0.00 N ATOM 225 CA SER A 20 -13.184 8.721 -1.938 1.00 0.00 C ATOM 226 C SER A 20 -12.177 9.305 -0.960 1.00 0.00 C ATOM 227 O SER A 20 -12.430 10.335 -0.333 1.00 0.00 O ATOM 228 CB SER A 20 -12.996 9.269 -3.348 1.00 0.00 C ATOM 229 OG SER A 20 -13.811 10.407 -3.574 1.00 0.00 O ATOM 0 H SER A 20 -14.888 9.885 -1.638 1.00 0.00 H new ATOM 0 HA SER A 20 -13.013 7.646 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.950 9.533 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.239 8.495 -4.076 1.00 0.00 H new ATOM 0 HG SER A 20 -13.667 10.737 -4.486 1.00 0.00 H new ATOM 235 N ASN A 21 -11.051 8.631 -0.825 1.00 0.00 N ATOM 236 CA ASN A 21 -10.082 8.932 0.222 1.00 0.00 C ATOM 237 C ASN A 21 -8.801 8.174 -0.114 1.00 0.00 C ATOM 238 O ASN A 21 -8.736 7.540 -1.169 1.00 0.00 O ATOM 239 CB ASN A 21 -10.656 8.504 1.580 1.00 0.00 C ATOM 240 CG ASN A 21 -10.229 9.384 2.727 1.00 0.00 C ATOM 241 OD1 ASN A 21 -9.099 9.870 2.774 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.154 9.619 3.654 1.00 0.00 N ATOM 0 H ASN A 21 -10.779 7.860 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.866 9.999 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.744 8.504 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.348 7.479 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.940 10.225 4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.077 9.194 3.572 1.00 0.00 H new ATOM 249 N PHE A 22 -7.798 8.207 0.751 1.00 0.00 N ATOM 250 CA PHE A 22 -6.493 7.639 0.397 1.00 0.00 C ATOM 251 C PHE A 22 -6.178 6.365 1.176 1.00 0.00 C ATOM 252 O PHE A 22 -6.297 6.331 2.404 1.00 0.00 O ATOM 253 CB PHE A 22 -5.378 8.666 0.621 1.00 0.00 C ATOM 254 CG PHE A 22 -5.374 9.796 -0.375 1.00 0.00 C ATOM 255 CD1 PHE A 22 -4.979 11.073 0.005 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.765 9.585 -1.692 1.00 0.00 C ATOM 257 CE1 PHE A 22 -4.972 12.110 -0.907 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.759 10.621 -2.605 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.363 11.885 -2.213 1.00 0.00 C ATOM 0 H PHE A 22 -7.853 8.611 1.686 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.545 7.377 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.477 9.081 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.415 8.156 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.674 11.256 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.077 8.600 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.661 13.097 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.064 10.443 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.359 12.696 -2.926 1.00 0.00 H new ATOM 269 N LEU A 23 -5.765 5.321 0.452 1.00 0.00 N ATOM 270 CA LEU A 23 -5.331 4.067 1.083 1.00 0.00 C ATOM 271 C LEU A 23 -3.837 4.129 1.359 1.00 0.00 C ATOM 272 O LEU A 23 -3.040 4.377 0.455 1.00 0.00 O ATOM 273 CB LEU A 23 -5.652 2.845 0.200 1.00 0.00 C ATOM 274 CG LEU A 23 -5.013 1.500 0.630 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.406 1.119 2.053 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.424 0.391 -0.328 1.00 0.00 C ATOM 0 H LEU A 23 -5.721 5.317 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.877 3.951 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.734 2.717 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.332 3.065 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.931 1.627 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.939 0.171 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.071 1.894 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.490 1.020 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.968 -0.548 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.509 0.288 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.089 0.638 -1.336 1.00 0.00 H new ATOM 288 N ASN A 24 -3.468 3.903 2.607 1.00 0.00 N ATOM 289 CA ASN A 24 -2.083 4.045 3.029 1.00 0.00 C ATOM 290 C ASN A 24 -1.461 2.696 3.412 1.00 0.00 C ATOM 291 O ASN A 24 -1.939 2.011 4.318 1.00 0.00 O ATOM 292 CB ASN A 24 -1.995 5.041 4.201 1.00 0.00 C ATOM 293 CG ASN A 24 -2.177 6.486 3.768 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.846 6.862 2.646 1.00 0.00 O ATOM 295 ND2 ASN A 24 -2.697 7.313 4.664 1.00 0.00 N ATOM 0 H ASN A 24 -4.108 3.620 3.349 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.510 4.432 2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.755 4.791 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.027 4.933 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.834 8.297 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.960 6.966 5.586 1.00 0.00 H new ATOM 302 N CYS A 25 -0.394 2.318 2.705 1.00 0.00 N ATOM 303 CA CYS A 25 0.362 1.097 3.013 1.00 0.00 C ATOM 304 C CYS A 25 1.742 1.460 3.545 1.00 0.00 C ATOM 305 O CYS A 25 2.483 2.202 2.900 1.00 0.00 O ATOM 306 CB CYS A 25 0.556 0.213 1.782 1.00 0.00 C ATOM 307 SG CYS A 25 1.652 -1.206 2.119 1.00 0.00 S ATOM 0 H CYS A 25 -0.030 2.843 1.909 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.217 0.549 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.413 -0.151 1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.975 0.809 0.971 1.00 0.00 H new ATOM 312 N TYR A 26 2.078 0.949 4.716 1.00 0.00 N ATOM 313 CA TYR A 26 3.386 1.221 5.311 1.00 0.00 C ATOM 314 C TYR A 26 4.339 0.067 5.080 1.00 0.00 C ATOM 315 O TYR A 26 4.067 -1.071 5.464 1.00 0.00 O ATOM 316 CB TYR A 26 3.268 1.493 6.814 1.00 0.00 C ATOM 317 CG TYR A 26 2.263 2.563 7.157 1.00 0.00 C ATOM 318 CD1 TYR A 26 2.615 3.903 7.154 1.00 0.00 C ATOM 319 CD2 TYR A 26 0.955 2.227 7.465 1.00 0.00 C ATOM 320 CE1 TYR A 26 1.685 4.884 7.446 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.021 3.200 7.763 1.00 0.00 C ATOM 322 CZ TYR A 26 0.390 4.526 7.750 1.00 0.00 C ATOM 323 OH TYR A 26 -0.539 5.501 8.042 1.00 0.00 O ATOM 0 H TYR A 26 1.473 0.347 5.275 1.00 0.00 H new ATOM 0 HA TYR A 26 3.782 2.112 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.990 0.569 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.244 1.787 7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.631 4.186 6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.661 1.188 7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.972 5.925 7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.994 2.922 8.005 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.404 5.082 8.233 1.00 0.00 H new ATOM 333 N VAL A 27 5.475 0.375 4.485 1.00 0.00 N ATOM 334 CA VAL A 27 6.478 -0.621 4.174 1.00 0.00 C ATOM 335 C VAL A 27 7.807 -0.169 4.789 1.00 0.00 C ATOM 336 O VAL A 27 8.425 0.777 4.302 1.00 0.00 O ATOM 337 CB VAL A 27 6.643 -0.763 2.642 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.700 -1.799 2.302 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.321 -1.123 1.980 1.00 0.00 C ATOM 0 H VAL A 27 5.727 1.323 4.204 1.00 0.00 H new ATOM 0 HA VAL A 27 6.174 -1.586 4.579 1.00 0.00 H new ATOM 0 HB VAL A 27 6.969 0.203 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.796 -1.879 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.656 -1.497 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.408 -2.765 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.467 -1.216 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.959 -2.070 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.589 -0.341 2.181 1.00 0.00 H new ATOM 349 N SER A 28 8.240 -0.814 5.862 1.00 0.00 N ATOM 350 CA SER A 28 9.394 -0.326 6.614 1.00 0.00 C ATOM 351 C SER A 28 10.579 -1.293 6.533 1.00 0.00 C ATOM 352 O SER A 28 10.397 -2.506 6.565 1.00 0.00 O ATOM 353 CB SER A 28 8.989 -0.111 8.077 1.00 0.00 C ATOM 354 OG SER A 28 10.027 0.503 8.825 1.00 0.00 O ATOM 0 H SER A 28 7.818 -1.666 6.231 1.00 0.00 H new ATOM 0 HA SER A 28 9.714 0.617 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.094 0.510 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.733 -1.070 8.528 1.00 0.00 H new ATOM 0 HG SER A 28 9.733 0.626 9.752 1.00 0.00 H new ATOM 360 N GLY A 29 11.791 -0.740 6.419 1.00 0.00 N ATOM 361 CA GLY A 29 13.006 -1.552 6.453 1.00 0.00 C ATOM 362 C GLY A 29 13.541 -1.896 5.074 1.00 0.00 C ATOM 363 O GLY A 29 14.512 -2.640 4.946 1.00 0.00 O ATOM 0 H GLY A 29 11.954 0.260 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.776 -1.018 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.802 -2.475 6.996 1.00 0.00 H new ATOM 367 N PHE A 30 12.906 -1.363 4.043 1.00 0.00 N ATOM 368 CA PHE A 30 13.304 -1.659 2.669 1.00 0.00 C ATOM 369 C PHE A 30 13.732 -0.405 1.922 1.00 0.00 C ATOM 370 O PHE A 30 13.160 0.663 2.111 1.00 0.00 O ATOM 371 CB PHE A 30 12.149 -2.318 1.930 1.00 0.00 C ATOM 372 CG PHE A 30 11.618 -3.557 2.614 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.641 -3.463 3.597 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.101 -4.817 2.278 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.147 -4.596 4.218 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.614 -5.954 2.904 1.00 0.00 C ATOM 377 CZ PHE A 30 10.635 -5.839 3.874 1.00 0.00 C ATOM 0 H PHE A 30 12.115 -0.725 4.127 1.00 0.00 H new ATOM 0 HA PHE A 30 14.158 -2.335 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.339 -1.597 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.476 -2.581 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.262 -2.492 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.865 -4.911 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.379 -4.507 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.998 -6.927 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.252 -6.723 4.362 1.00 0.00 H new ATOM 387 N HIS A 31 14.727 -0.555 1.055 1.00 0.00 N ATOM 388 CA HIS A 31 15.263 0.560 0.283 1.00 0.00 C ATOM 389 C HIS A 31 14.322 0.922 -0.860 1.00 0.00 C ATOM 390 O HIS A 31 14.138 0.134 -1.784 1.00 0.00 O ATOM 391 CB HIS A 31 16.649 0.208 -0.275 1.00 0.00 C ATOM 392 CG HIS A 31 17.561 -0.371 0.760 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.908 -1.700 0.746 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.139 0.225 1.827 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.679 -1.880 1.804 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.847 -0.744 2.489 1.00 0.00 N ATOM 0 H HIS A 31 15.183 -1.448 0.868 1.00 0.00 H new ATOM 0 HA HIS A 31 15.356 1.420 0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.536 -0.504 -1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.105 1.105 -0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.058 1.266 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.119 -2.827 2.081 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.396 -0.622 3.340 1.00 0.00 H new ATOM 404 N PRO A 32 13.731 2.128 -0.796 1.00 0.00 N ATOM 405 CA PRO A 32 12.658 2.592 -1.699 1.00 0.00 C ATOM 406 C PRO A 32 12.826 2.219 -3.176 1.00 0.00 C ATOM 407 O PRO A 32 11.837 1.930 -3.853 1.00 0.00 O ATOM 408 CB PRO A 32 12.716 4.113 -1.520 1.00 0.00 C ATOM 409 CG PRO A 32 13.108 4.286 -0.092 1.00 0.00 C ATOM 410 CD PRO A 32 14.081 3.168 0.197 1.00 0.00 C ATOM 0 HA PRO A 32 11.709 2.120 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.443 4.568 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.753 4.578 -1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.569 5.260 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.239 4.229 0.563 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.114 3.498 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.974 2.799 1.217 1.00 0.00 H new ATOM 418 N SER A 33 14.050 2.211 -3.682 1.00 0.00 N ATOM 419 CA SER A 33 14.261 2.016 -5.108 1.00 0.00 C ATOM 420 C SER A 33 14.267 0.530 -5.498 1.00 0.00 C ATOM 421 O SER A 33 13.831 0.173 -6.595 1.00 0.00 O ATOM 422 CB SER A 33 15.566 2.703 -5.540 1.00 0.00 C ATOM 423 OG SER A 33 15.764 2.620 -6.939 1.00 0.00 O ATOM 0 H SER A 33 14.902 2.335 -3.135 1.00 0.00 H new ATOM 0 HA SER A 33 13.423 2.473 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.543 3.750 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.408 2.240 -5.025 1.00 0.00 H new ATOM 0 HG SER A 33 16.602 3.068 -7.178 1.00 0.00 H new ATOM 429 N ASP A 34 14.729 -0.342 -4.604 1.00 0.00 N ATOM 430 CA ASP A 34 14.915 -1.751 -4.955 1.00 0.00 C ATOM 431 C ASP A 34 13.765 -2.621 -4.475 1.00 0.00 C ATOM 432 O ASP A 34 13.909 -3.841 -4.378 1.00 0.00 O ATOM 433 CB ASP A 34 16.231 -2.291 -4.379 1.00 0.00 C ATOM 434 CG ASP A 34 17.450 -1.593 -4.944 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.890 -1.962 -6.054 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.983 -0.681 -4.276 1.00 0.00 O ATOM 0 H ASP A 34 14.979 -0.104 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 34 14.946 -1.796 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.222 -2.176 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.301 -3.359 -4.586 1.00 0.00 H new ATOM 441 N ILE A 35 12.624 -2.019 -4.164 1.00 0.00 N ATOM 442 CA ILE A 35 11.482 -2.808 -3.721 1.00 0.00 C ATOM 443 C ILE A 35 10.271 -2.584 -4.621 1.00 0.00 C ATOM 444 O ILE A 35 10.237 -1.641 -5.413 1.00 0.00 O ATOM 445 CB ILE A 35 11.086 -2.493 -2.253 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.033 -1.371 -2.191 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.313 -2.135 -1.423 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.544 -1.081 -0.789 1.00 0.00 C ATOM 0 H ILE A 35 12.466 -1.012 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 35 11.792 -3.851 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 35 10.641 -3.392 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.458 -0.461 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.182 -1.647 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.009 -1.919 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.011 -2.972 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.798 -1.257 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.805 -0.281 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.090 -1.979 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.385 -0.775 -0.167 1.00 0.00 H new ATOM 460 N GLU A 36 9.281 -3.453 -4.475 1.00 0.00 N ATOM 461 CA GLU A 36 8.048 -3.369 -5.241 1.00 0.00 C ATOM 462 C GLU A 36 6.848 -3.375 -4.301 1.00 0.00 C ATOM 463 O GLU A 36 6.631 -4.343 -3.577 1.00 0.00 O ATOM 464 CB GLU A 36 7.946 -4.547 -6.208 1.00 0.00 C ATOM 465 CG GLU A 36 8.964 -4.507 -7.346 1.00 0.00 C ATOM 466 CD GLU A 36 9.013 -5.809 -8.116 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.019 -6.141 -8.799 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.042 -6.511 -8.044 1.00 0.00 O ATOM 0 H GLU A 36 9.311 -4.236 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 36 8.055 -2.440 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.077 -5.474 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.942 -4.569 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.713 -3.694 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.952 -4.290 -6.940 1.00 0.00 H new ATOM 475 N VAL A 37 6.091 -2.287 -4.295 1.00 0.00 N ATOM 476 CA VAL A 37 4.886 -2.189 -3.473 1.00 0.00 C ATOM 477 C VAL A 37 3.748 -1.563 -4.283 1.00 0.00 C ATOM 478 O VAL A 37 3.934 -0.529 -4.925 1.00 0.00 O ATOM 479 CB VAL A 37 5.137 -1.395 -2.152 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.321 -0.455 -2.300 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.896 -0.619 -1.720 1.00 0.00 C ATOM 0 H VAL A 37 6.288 -1.455 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 37 4.599 -3.199 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 37 5.366 -2.124 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.475 0.086 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.215 -1.031 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.123 0.255 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.108 -0.079 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.620 0.090 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.073 -1.313 -1.553 1.00 0.00 H new ATOM 491 N ASP A 38 2.578 -2.200 -4.251 1.00 0.00 N ATOM 492 CA ASP A 38 1.422 -1.737 -5.020 1.00 0.00 C ATOM 493 C ASP A 38 0.181 -1.710 -4.127 1.00 0.00 C ATOM 494 O ASP A 38 0.161 -2.328 -3.059 1.00 0.00 O ATOM 495 CB ASP A 38 1.131 -2.668 -6.222 1.00 0.00 C ATOM 496 CG ASP A 38 2.243 -2.736 -7.243 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.867 -3.815 -7.367 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.469 -1.743 -7.960 1.00 0.00 O ATOM 0 H ASP A 38 2.405 -3.040 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 38 1.655 -0.738 -5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.935 -3.673 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.221 -2.329 -6.716 1.00 0.00 H new ATOM 503 N LEU A 39 -0.855 -1.010 -4.579 1.00 0.00 N ATOM 504 CA LEU A 39 -2.141 -1.010 -3.895 1.00 0.00 C ATOM 505 C LEU A 39 -3.139 -1.854 -4.694 1.00 0.00 C ATOM 506 O LEU A 39 -3.320 -1.639 -5.896 1.00 0.00 O ATOM 507 CB LEU A 39 -2.655 0.424 -3.672 1.00 0.00 C ATOM 508 CG LEU A 39 -2.174 1.116 -2.377 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.691 1.437 -2.420 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.954 2.388 -2.125 1.00 0.00 C ATOM 0 H LEU A 39 -0.827 -0.433 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.021 -1.454 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.352 1.035 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.745 0.403 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.349 0.413 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.397 1.922 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.123 0.515 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.487 2.104 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.598 2.858 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.814 3.073 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.013 2.151 -2.024 1.00 0.00 H new ATOM 522 N LEU A 40 -3.749 -2.838 -4.031 1.00 0.00 N ATOM 523 CA LEU A 40 -4.573 -3.843 -4.698 1.00 0.00 C ATOM 524 C LEU A 40 -6.013 -3.867 -4.188 1.00 0.00 C ATOM 525 O LEU A 40 -6.347 -3.273 -3.162 1.00 0.00 O ATOM 526 CB LEU A 40 -4.002 -5.250 -4.477 1.00 0.00 C ATOM 527 CG LEU A 40 -2.548 -5.495 -4.885 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.319 -6.988 -5.027 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.178 -4.787 -6.180 1.00 0.00 C ATOM 0 H LEU A 40 -3.685 -2.959 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.566 -3.567 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.099 -5.490 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.628 -5.956 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.908 -5.082 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.285 -7.171 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.521 -7.479 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.987 -7.388 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.136 -4.994 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.817 -5.146 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.315 -3.712 -6.059 1.00 0.00 H new ATOM 541 N LYS A 41 -6.847 -4.592 -4.929 1.00 0.00 N ATOM 542 CA LYS A 41 -8.189 -4.961 -4.510 1.00 0.00 C ATOM 543 C LYS A 41 -8.297 -6.457 -4.641 1.00 0.00 C ATOM 544 O LYS A 41 -8.395 -6.939 -5.763 1.00 0.00 O ATOM 545 CB LYS A 41 -9.269 -4.356 -5.427 1.00 0.00 C ATOM 546 CG LYS A 41 -8.850 -3.055 -6.100 1.00 0.00 C ATOM 547 CD LYS A 41 -9.889 -2.506 -7.104 1.00 0.00 C ATOM 548 CE LYS A 41 -11.272 -2.225 -6.478 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.190 -1.305 -5.312 1.00 0.00 N ATOM 0 H LYS A 41 -6.601 -4.944 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.346 -4.598 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.528 -5.084 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.170 -4.176 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.668 -2.303 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.906 -3.214 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.505 -1.585 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.007 -3.221 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.929 -1.793 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.724 -3.166 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.149 -1.093 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.642 -1.756 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.722 -0.422 -5.599 1.00 0.00 H new ATOM 563 N ASN A 42 -8.301 -7.188 -3.524 1.00 0.00 N ATOM 564 CA ASN A 42 -8.351 -8.656 -3.561 1.00 0.00 C ATOM 565 C ASN A 42 -7.496 -9.213 -4.701 1.00 0.00 C ATOM 566 O ASN A 42 -7.964 -9.972 -5.551 1.00 0.00 O ATOM 567 CB ASN A 42 -9.814 -9.161 -3.637 1.00 0.00 C ATOM 568 CG ASN A 42 -10.695 -8.361 -4.586 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.958 -8.771 -5.716 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.135 -7.190 -4.132 1.00 0.00 N ATOM 0 H ASN A 42 -8.270 -6.792 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.926 -9.030 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.812 -10.204 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.251 -9.130 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.713 -6.597 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.895 -6.886 -3.189 1.00 0.00 H new ATOM 577 N GLY A 43 -6.230 -8.803 -4.703 1.00 0.00 N ATOM 578 CA GLY A 43 -5.298 -9.265 -5.713 1.00 0.00 C ATOM 579 C GLY A 43 -5.458 -8.608 -7.074 1.00 0.00 C ATOM 580 O GLY A 43 -5.098 -9.206 -8.085 1.00 0.00 O ATOM 0 H GLY A 43 -5.834 -8.157 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.282 -9.090 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.414 -10.343 -5.829 1.00 0.00 H new ATOM 584 N GLU A 44 -5.984 -7.392 -7.122 1.00 0.00 N ATOM 585 CA GLU A 44 -6.160 -6.704 -8.397 1.00 0.00 C ATOM 586 C GLU A 44 -5.527 -5.311 -8.333 1.00 0.00 C ATOM 587 O GLU A 44 -5.902 -4.489 -7.496 1.00 0.00 O ATOM 588 CB GLU A 44 -7.647 -6.620 -8.774 1.00 0.00 C ATOM 589 CG GLU A 44 -7.893 -6.142 -10.205 1.00 0.00 C ATOM 590 CD GLU A 44 -7.142 -6.975 -11.224 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.075 -6.528 -11.698 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.612 -8.083 -11.555 1.00 0.00 O ATOM 0 H GLU A 44 -6.293 -6.865 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.656 -7.277 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.101 -7.603 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.150 -5.944 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.961 -6.182 -10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.589 -5.099 -10.295 1.00 0.00 H new ATOM 599 N ARG A 45 -4.543 -5.084 -9.198 1.00 0.00 N ATOM 600 CA ARG A 45 -3.793 -3.820 -9.249 1.00 0.00 C ATOM 601 C ARG A 45 -4.735 -2.637 -9.516 1.00 0.00 C ATOM 602 O ARG A 45 -5.350 -2.546 -10.578 1.00 0.00 O ATOM 603 CB ARG A 45 -2.717 -3.910 -10.358 1.00 0.00 C ATOM 604 CG ARG A 45 -1.320 -3.438 -9.944 1.00 0.00 C ATOM 605 CD ARG A 45 -0.311 -3.500 -11.102 1.00 0.00 C ATOM 606 NE ARG A 45 -0.691 -2.621 -12.208 1.00 0.00 N ATOM 607 CZ ARG A 45 0.159 -1.827 -12.865 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.442 -1.777 -12.512 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.282 -1.083 -13.873 1.00 0.00 N ATOM 0 H ARG A 45 -4.238 -5.770 -9.888 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.311 -3.654 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.650 -4.944 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.046 -3.318 -11.212 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.381 -2.415 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.961 -4.055 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.677 -3.218 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.236 -4.526 -11.463 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.669 -2.614 -12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.780 -2.347 -11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.087 -1.169 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.265 -1.120 -14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.363 -0.475 -14.378 1.00 0.00 H new ATOM 623 N ILE A 46 -4.839 -1.739 -8.528 1.00 0.00 N ATOM 624 CA ILE A 46 -5.718 -0.571 -8.608 1.00 0.00 C ATOM 625 C ILE A 46 -5.281 0.381 -9.722 1.00 0.00 C ATOM 626 O ILE A 46 -6.071 0.700 -10.611 1.00 0.00 O ATOM 627 CB ILE A 46 -5.738 0.185 -7.260 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.221 -0.753 -6.145 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.624 1.426 -7.354 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.177 -0.146 -4.762 1.00 0.00 C ATOM 0 H ILE A 46 -4.317 -1.803 -7.654 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.721 -0.932 -8.836 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.727 0.515 -7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.244 -1.061 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.609 -1.655 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.626 1.945 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.238 2.091 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.642 1.128 -7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.534 -0.874 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.152 0.136 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.813 0.739 -4.733 1.00 0.00 H new ATOM 642 N GLU A 47 -4.071 0.929 -9.556 1.00 0.00 N ATOM 643 CA GLU A 47 -3.286 1.572 -10.634 1.00 0.00 C ATOM 644 C GLU A 47 -3.162 3.076 -10.426 1.00 0.00 C ATOM 645 O GLU A 47 -2.191 3.675 -10.884 1.00 0.00 O ATOM 646 CB GLU A 47 -3.829 1.339 -12.055 1.00 0.00 C ATOM 647 CG GLU A 47 -3.855 -0.106 -12.522 1.00 0.00 C ATOM 648 CD GLU A 47 -3.846 -0.215 -14.030 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.723 0.389 -14.681 1.00 0.00 O ATOM 650 OE2 GLU A 47 -2.957 -0.906 -14.574 1.00 0.00 O ATOM 0 H GLU A 47 -3.595 0.942 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.314 1.085 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.843 1.736 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.224 1.917 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.992 -0.634 -12.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.744 -0.598 -12.128 1.00 0.00 H new ATOM 657 N LYS A 48 -4.121 3.707 -9.743 1.00 0.00 N ATOM 658 CA LYS A 48 -4.108 5.163 -9.591 1.00 0.00 C ATOM 659 C LYS A 48 -3.185 5.552 -8.441 1.00 0.00 C ATOM 660 O LYS A 48 -3.529 6.395 -7.609 1.00 0.00 O ATOM 661 CB LYS A 48 -5.530 5.688 -9.305 1.00 0.00 C ATOM 662 CG LYS A 48 -6.642 5.082 -10.176 1.00 0.00 C ATOM 663 CD LYS A 48 -6.316 5.173 -11.658 1.00 0.00 C ATOM 664 CE LYS A 48 -7.410 4.546 -12.516 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.342 3.058 -12.513 1.00 0.00 N ATOM 0 H LYS A 48 -4.907 3.239 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.747 5.606 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.766 5.497 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.534 6.770 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.790 4.038 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.580 5.600 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.188 6.218 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.368 4.672 -11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.385 4.864 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.321 4.910 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.301 2.666 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.758 2.736 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.919 2.732 -11.621 1.00 0.00 H new ATOM 679 N VAL A 49 -1.996 4.972 -8.427 1.00 0.00 N ATOM 680 CA VAL A 49 -1.099 5.101 -7.301 1.00 0.00 C ATOM 681 C VAL A 49 0.205 5.722 -7.791 1.00 0.00 C ATOM 682 O VAL A 49 0.699 5.374 -8.867 1.00 0.00 O ATOM 683 CB VAL A 49 -0.841 3.720 -6.624 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.483 3.105 -7.043 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.905 3.829 -5.114 1.00 0.00 C ATOM 0 H VAL A 49 -1.632 4.404 -9.192 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.552 5.744 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.636 3.058 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.613 2.145 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.489 2.955 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.299 3.772 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.721 2.850 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.148 4.532 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.892 4.183 -4.816 1.00 0.00 H new ATOM 695 N GLU A 50 0.729 6.669 -7.038 1.00 0.00 N ATOM 696 CA GLU A 50 1.978 7.321 -7.415 1.00 0.00 C ATOM 697 C GLU A 50 2.849 7.646 -6.214 1.00 0.00 C ATOM 698 O GLU A 50 2.474 8.446 -5.360 1.00 0.00 O ATOM 699 CB GLU A 50 1.705 8.605 -8.198 1.00 0.00 C ATOM 700 CG GLU A 50 1.536 8.392 -9.692 1.00 0.00 C ATOM 701 CD GLU A 50 2.802 7.886 -10.354 1.00 0.00 C ATOM 702 OE1 GLU A 50 2.699 7.172 -11.371 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.910 8.210 -9.867 1.00 0.00 O ATOM 0 H GLU A 50 0.317 7.006 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 50 2.517 6.612 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.804 9.074 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.526 9.302 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.730 7.679 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.237 9.331 -10.158 1.00 0.00 H new ATOM 710 N HIS A 51 3.992 6.988 -6.139 1.00 0.00 N ATOM 711 CA HIS A 51 5.071 7.422 -5.272 1.00 0.00 C ATOM 712 C HIS A 51 6.394 7.100 -5.935 1.00 0.00 C ATOM 713 O HIS A 51 6.668 5.950 -6.271 1.00 0.00 O ATOM 714 CB HIS A 51 4.990 6.763 -3.891 1.00 0.00 C ATOM 715 CG HIS A 51 6.138 7.112 -2.988 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.918 6.140 -2.416 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.586 8.326 -2.590 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.815 6.774 -1.686 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.654 8.103 -1.759 1.00 0.00 N ATOM 0 H HIS A 51 4.197 6.144 -6.673 1.00 0.00 H new ATOM 0 HA HIS A 51 4.983 8.498 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.058 7.060 -3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.953 5.681 -4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.824 5.131 -2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.180 9.286 -2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.582 6.285 -1.104 1.00 0.00 H new ATOM 727 N SER A 52 7.191 8.124 -6.146 1.00 0.00 N ATOM 728 CA SER A 52 8.484 7.963 -6.779 1.00 0.00 C ATOM 729 C SER A 52 9.572 7.894 -5.721 1.00 0.00 C ATOM 730 O SER A 52 9.602 8.701 -4.788 1.00 0.00 O ATOM 731 CB SER A 52 8.741 9.127 -7.731 1.00 0.00 C ATOM 732 OG SER A 52 7.701 9.237 -8.687 1.00 0.00 O ATOM 0 H SER A 52 6.965 9.084 -5.887 1.00 0.00 H new ATOM 0 HA SER A 52 8.493 7.034 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.819 10.055 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.694 8.983 -8.240 1.00 0.00 H new ATOM 0 HG SER A 52 7.885 9.991 -9.286 1.00 0.00 H new ATOM 738 N ASP A 53 10.464 6.927 -5.883 1.00 0.00 N ATOM 739 CA ASP A 53 11.458 6.615 -4.868 1.00 0.00 C ATOM 740 C ASP A 53 12.464 7.744 -4.693 1.00 0.00 C ATOM 741 O ASP A 53 12.631 8.598 -5.566 1.00 0.00 O ATOM 742 CB ASP A 53 12.198 5.321 -5.213 1.00 0.00 C ATOM 743 CG ASP A 53 13.326 5.538 -6.204 1.00 0.00 C ATOM 744 OD1 ASP A 53 14.471 5.780 -5.758 1.00 0.00 O ATOM 745 OD2 ASP A 53 13.073 5.467 -7.426 1.00 0.00 O ATOM 0 H ASP A 53 10.519 6.341 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 53 10.922 6.487 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.601 4.883 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.491 4.602 -5.626 1.00 0.00 H new ATOM 750 N LEU A 54 13.140 7.719 -3.559 1.00 0.00 N ATOM 751 CA LEU A 54 14.094 8.752 -3.193 1.00 0.00 C ATOM 752 C LEU A 54 15.345 8.132 -2.577 1.00 0.00 C ATOM 753 O LEU A 54 16.044 8.769 -1.789 1.00 0.00 O ATOM 754 CB LEU A 54 13.441 9.760 -2.208 1.00 0.00 C ATOM 755 CG LEU A 54 12.588 9.196 -1.028 1.00 0.00 C ATOM 756 CD1 LEU A 54 11.180 8.800 -1.468 1.00 0.00 C ATOM 757 CD2 LEU A 54 13.266 8.017 -0.338 1.00 0.00 C ATOM 0 H LEU A 54 13.043 6.980 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 54 14.389 9.289 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.237 10.370 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.804 10.427 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 54 12.504 10.011 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.626 8.414 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.665 9.673 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.242 8.030 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.635 7.659 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.420 7.213 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.229 8.334 0.063 1.00 0.00 H new ATOM 769 N SER A 55 15.638 6.893 -2.953 1.00 0.00 N ATOM 770 CA SER A 55 16.654 6.125 -2.251 1.00 0.00 C ATOM 771 C SER A 55 18.041 6.410 -2.807 1.00 0.00 C ATOM 772 O SER A 55 18.938 6.784 -2.053 1.00 0.00 O ATOM 773 CB SER A 55 16.343 4.630 -2.354 1.00 0.00 C ATOM 774 OG SER A 55 17.109 3.869 -1.433 1.00 0.00 O ATOM 0 H SER A 55 15.192 6.405 -3.730 1.00 0.00 H new ATOM 0 HA SER A 55 16.643 6.424 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.282 4.466 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.546 4.285 -3.368 1.00 0.00 H new ATOM 0 HG SER A 55 18.060 4.077 -1.548 1.00 0.00 H new ATOM 780 N PHE A 56 18.205 6.263 -4.123 1.00 0.00 N ATOM 781 CA PHE A 56 19.515 6.396 -4.758 1.00 0.00 C ATOM 782 C PHE A 56 20.545 5.519 -4.042 1.00 0.00 C ATOM 783 O PHE A 56 21.591 6.007 -3.601 1.00 0.00 O ATOM 784 CB PHE A 56 19.974 7.862 -4.758 1.00 0.00 C ATOM 785 CG PHE A 56 18.947 8.812 -5.305 1.00 0.00 C ATOM 786 CD1 PHE A 56 18.295 9.702 -4.465 1.00 0.00 C ATOM 787 CD2 PHE A 56 18.629 8.814 -6.652 1.00 0.00 C ATOM 788 CE1 PHE A 56 17.347 10.575 -4.961 1.00 0.00 C ATOM 789 CE2 PHE A 56 17.682 9.685 -7.152 1.00 0.00 C ATOM 790 CZ PHE A 56 17.039 10.565 -6.307 1.00 0.00 C ATOM 0 H PHE A 56 17.445 6.052 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 56 19.428 6.063 -5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.223 8.156 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 56 20.887 7.948 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 56 18.531 9.713 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.127 8.126 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.847 11.265 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.444 9.677 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.296 11.245 -6.697 1.00 0.00 H new ATOM 800 N SER A 57 20.220 4.226 -3.923 1.00 0.00 N ATOM 801 CA SER A 57 21.055 3.267 -3.199 1.00 0.00 C ATOM 802 C SER A 57 21.119 3.627 -1.710 1.00 0.00 C ATOM 803 O SER A 57 20.236 4.327 -1.203 1.00 0.00 O ATOM 804 CB SER A 57 22.457 3.219 -3.818 1.00 0.00 C ATOM 805 OG SER A 57 22.383 2.918 -5.202 1.00 0.00 O ATOM 0 H SER A 57 19.375 3.819 -4.324 1.00 0.00 H new ATOM 0 HA SER A 57 20.610 2.275 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.956 4.177 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.059 2.467 -3.309 1.00 0.00 H new ATOM 0 HG SER A 57 23.287 2.893 -5.580 1.00 0.00 H new ATOM 811 N LYS A 58 22.150 3.125 -1.016 1.00 0.00 N ATOM 812 CA LYS A 58 22.370 3.410 0.410 1.00 0.00 C ATOM 813 C LYS A 58 21.300 2.758 1.290 1.00 0.00 C ATOM 814 O LYS A 58 20.219 2.401 0.819 1.00 0.00 O ATOM 815 CB LYS A 58 22.400 4.925 0.663 1.00 0.00 C ATOM 816 CG LYS A 58 23.454 5.663 -0.149 1.00 0.00 C ATOM 817 CD LYS A 58 24.858 5.385 0.361 1.00 0.00 C ATOM 818 CE LYS A 58 25.914 5.932 -0.588 1.00 0.00 C ATOM 819 NZ LYS A 58 25.661 7.354 -0.947 1.00 0.00 N ATOM 0 H LYS A 58 22.854 2.511 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 58 23.336 2.983 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.420 5.342 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.581 5.103 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 58 23.382 5.364 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.259 6.735 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.984 5.835 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.997 4.311 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.897 5.845 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.934 5.328 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.510 7.756 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.863 7.408 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.433 7.894 -0.088 1.00 0.00 H new ATOM 833 N ASP A 59 21.612 2.588 2.568 1.00 0.00 N ATOM 834 CA ASP A 59 20.641 2.079 3.533 1.00 0.00 C ATOM 835 C ASP A 59 20.280 3.190 4.510 1.00 0.00 C ATOM 836 O ASP A 59 21.038 3.500 5.430 1.00 0.00 O ATOM 837 CB ASP A 59 21.182 0.845 4.278 1.00 0.00 C ATOM 838 CG ASP A 59 20.256 0.388 5.387 1.00 0.00 C ATOM 839 OD1 ASP A 59 20.494 0.743 6.558 1.00 0.00 O ATOM 840 OD2 ASP A 59 19.280 -0.332 5.087 1.00 0.00 O ATOM 0 H ASP A 59 22.530 2.795 2.963 1.00 0.00 H new ATOM 0 HA ASP A 59 19.746 1.761 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.325 0.030 3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 59 22.161 1.078 4.698 1.00 0.00 H new ATOM 845 N TRP A 60 19.133 3.806 4.277 1.00 0.00 N ATOM 846 CA TRP A 60 18.732 5.004 5.005 1.00 0.00 C ATOM 847 C TRP A 60 17.203 5.157 4.987 1.00 0.00 C ATOM 848 O TRP A 60 16.651 6.115 5.533 1.00 0.00 O ATOM 849 CB TRP A 60 19.466 6.212 4.373 1.00 0.00 C ATOM 850 CG TRP A 60 18.708 7.505 4.352 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.646 8.452 5.346 1.00 0.00 C ATOM 852 CD2 TRP A 60 17.902 7.997 3.269 1.00 0.00 C ATOM 853 NE1 TRP A 60 17.844 9.491 4.944 1.00 0.00 N ATOM 854 CE2 TRP A 60 17.380 9.239 3.677 1.00 0.00 C ATOM 855 CE3 TRP A 60 17.565 7.508 1.989 1.00 0.00 C ATOM 856 CZ2 TRP A 60 16.547 10.000 2.863 1.00 0.00 C ATOM 857 CZ3 TRP A 60 16.739 8.270 1.190 1.00 0.00 C ATOM 858 CH2 TRP A 60 16.239 9.500 1.626 1.00 0.00 C ATOM 0 H TRP A 60 18.455 3.494 3.582 1.00 0.00 H new ATOM 0 HA TRP A 60 19.013 4.938 6.056 1.00 0.00 H new ATOM 0 HB2 TRP A 60 20.398 6.369 4.915 1.00 0.00 H new ATOM 0 HB3 TRP A 60 19.733 5.954 3.348 1.00 0.00 H new ATOM 0 HD1 TRP A 60 19.151 8.388 6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.627 10.319 5.499 1.00 0.00 H new ATOM 0 HE3 TRP A 60 17.945 6.558 1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 16.157 10.951 3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 16.473 7.909 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 60 15.595 10.069 0.972 1.00 0.00 H new ATOM 869 N SER A 61 16.524 4.164 4.417 1.00 0.00 N ATOM 870 CA SER A 61 15.080 4.232 4.211 1.00 0.00 C ATOM 871 C SER A 61 14.359 4.584 5.521 1.00 0.00 C ATOM 872 O SER A 61 14.514 3.880 6.524 1.00 0.00 O ATOM 873 CB SER A 61 14.564 2.895 3.693 1.00 0.00 C ATOM 874 OG SER A 61 13.189 2.978 3.359 1.00 0.00 O ATOM 0 H SER A 61 16.953 3.299 4.088 1.00 0.00 H new ATOM 0 HA SER A 61 14.877 5.012 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.138 2.594 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.712 2.125 4.450 1.00 0.00 H new ATOM 0 HG SER A 61 12.895 2.128 2.971 1.00 0.00 H new ATOM 880 N PHE A 62 13.574 5.665 5.533 1.00 0.00 N ATOM 881 CA PHE A 62 12.963 6.139 6.754 1.00 0.00 C ATOM 882 C PHE A 62 11.496 5.717 6.827 1.00 0.00 C ATOM 883 O PHE A 62 11.118 4.903 7.669 1.00 0.00 O ATOM 884 CB PHE A 62 13.101 7.675 6.852 1.00 0.00 C ATOM 885 CG PHE A 62 12.728 8.424 5.591 1.00 0.00 C ATOM 886 CD1 PHE A 62 11.550 9.152 5.520 1.00 0.00 C ATOM 887 CD2 PHE A 62 13.554 8.391 4.475 1.00 0.00 C ATOM 888 CE1 PHE A 62 11.203 9.826 4.365 1.00 0.00 C ATOM 889 CE2 PHE A 62 13.211 9.065 3.320 1.00 0.00 C ATOM 890 CZ PHE A 62 12.035 9.780 3.264 1.00 0.00 C ATOM 0 H PHE A 62 13.354 6.220 4.706 1.00 0.00 H new ATOM 0 HA PHE A 62 13.480 5.689 7.601 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.474 8.031 7.669 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.131 7.918 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.896 9.193 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.477 7.831 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.282 10.388 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.864 9.032 2.461 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.764 10.304 2.360 1.00 0.00 H new ATOM 900 N TYR A 63 10.679 6.266 5.935 1.00 0.00 N ATOM 901 CA TYR A 63 9.241 6.060 5.974 1.00 0.00 C ATOM 902 C TYR A 63 8.692 5.956 4.545 1.00 0.00 C ATOM 903 O TYR A 63 8.732 6.927 3.788 1.00 0.00 O ATOM 904 CB TYR A 63 8.636 7.255 6.730 1.00 0.00 C ATOM 905 CG TYR A 63 7.239 7.049 7.310 1.00 0.00 C ATOM 906 CD1 TYR A 63 7.059 6.346 8.501 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.110 7.595 6.697 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.800 6.194 9.063 1.00 0.00 C ATOM 909 CE2 TYR A 63 4.845 7.437 7.254 1.00 0.00 C ATOM 910 CZ TYR A 63 4.704 6.739 8.433 1.00 0.00 C ATOM 911 OH TYR A 63 3.459 6.603 9.001 1.00 0.00 O ATOM 0 H TYR A 63 10.995 6.862 5.170 1.00 0.00 H new ATOM 0 HA TYR A 63 8.981 5.132 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.309 7.521 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.603 8.108 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.916 5.912 8.995 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.220 8.149 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.680 5.651 9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.979 7.859 6.765 1.00 0.00 H new ATOM 0 HH TYR A 63 3.042 5.775 8.682 1.00 0.00 H new ATOM 921 N LEU A 64 8.204 4.767 4.181 1.00 0.00 N ATOM 922 CA LEU A 64 7.679 4.514 2.835 1.00 0.00 C ATOM 923 C LEU A 64 6.159 4.453 2.840 1.00 0.00 C ATOM 924 O LEU A 64 5.561 3.689 3.601 1.00 0.00 O ATOM 925 CB LEU A 64 8.213 3.170 2.324 1.00 0.00 C ATOM 926 CG LEU A 64 9.495 3.213 1.490 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.168 1.849 1.492 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.175 3.626 0.062 1.00 0.00 C ATOM 0 H LEU A 64 8.161 3.960 4.803 1.00 0.00 H new ATOM 0 HA LEU A 64 8.001 5.331 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.388 2.524 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.433 2.699 1.725 1.00 0.00 H new ATOM 0 HG LEU A 64 10.173 3.944 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.079 1.892 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.417 1.568 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.491 1.108 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.094 3.654 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.485 2.906 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.716 4.615 0.063 1.00 0.00 H new ATOM 940 N LEU A 65 5.544 5.270 1.991 1.00 0.00 N ATOM 941 CA LEU A 65 4.099 5.262 1.807 1.00 0.00 C ATOM 942 C LEU A 65 3.729 5.628 0.361 1.00 0.00 C ATOM 943 O LEU A 65 4.375 6.473 -0.257 1.00 0.00 O ATOM 944 CB LEU A 65 3.464 6.267 2.772 1.00 0.00 C ATOM 945 CG LEU A 65 1.964 6.500 2.598 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.190 5.217 2.835 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.485 7.590 3.541 1.00 0.00 C ATOM 0 H LEU A 65 6.033 5.954 1.413 1.00 0.00 H new ATOM 0 HA LEU A 65 3.724 4.259 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.644 5.926 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.976 7.223 2.660 1.00 0.00 H new ATOM 0 HG LEU A 65 1.784 6.823 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.124 5.406 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.513 4.460 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.375 4.862 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.415 7.744 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.681 7.292 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.016 8.517 3.325 1.00 0.00 H new ATOM 959 N TYR A 66 2.681 4.992 -0.154 1.00 0.00 N ATOM 960 CA TYR A 66 2.162 5.252 -1.503 1.00 0.00 C ATOM 961 C TYR A 66 0.690 5.648 -1.370 1.00 0.00 C ATOM 962 O TYR A 66 0.080 5.357 -0.343 1.00 0.00 O ATOM 963 CB TYR A 66 2.290 3.990 -2.381 1.00 0.00 C ATOM 964 CG TYR A 66 3.719 3.640 -2.775 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.082 3.541 -4.113 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.702 3.410 -1.816 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.376 3.226 -4.487 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.001 3.096 -2.184 1.00 0.00 C ATOM 969 CZ TYR A 66 6.328 3.006 -3.519 1.00 0.00 C ATOM 970 OH TYR A 66 7.615 2.689 -3.889 1.00 0.00 O ATOM 0 H TYR A 66 2.161 4.276 0.353 1.00 0.00 H new ATOM 0 HA TYR A 66 2.732 6.051 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.856 3.145 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.700 4.131 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.338 3.714 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.448 3.477 -0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.637 3.153 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.753 2.923 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 66 8.165 2.566 -3.087 1.00 0.00 H new ATOM 980 N TYR A 67 0.099 6.286 -2.383 1.00 0.00 N ATOM 981 CA TYR A 67 -1.282 6.760 -2.238 1.00 0.00 C ATOM 982 C TYR A 67 -2.118 6.551 -3.506 1.00 0.00 C ATOM 983 O TYR A 67 -1.643 6.785 -4.618 1.00 0.00 O ATOM 984 CB TYR A 67 -1.324 8.237 -1.794 1.00 0.00 C ATOM 985 CG TYR A 67 -0.457 9.201 -2.597 1.00 0.00 C ATOM 986 CD1 TYR A 67 -0.909 9.765 -3.786 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.809 9.569 -2.144 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.129 10.658 -4.498 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.593 10.461 -2.853 1.00 0.00 C ATOM 990 CZ TYR A 67 1.120 11.001 -4.027 1.00 0.00 C ATOM 991 OH TYR A 67 1.898 11.890 -4.736 1.00 0.00 O ATOM 0 H TYR A 67 0.535 6.482 -3.284 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.734 6.150 -1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.357 8.581 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.020 8.290 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.887 9.501 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.185 9.150 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.497 11.085 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.572 10.733 -2.487 1.00 0.00 H new ATOM 0 HH TYR A 67 2.748 12.026 -4.268 1.00 0.00 H new ATOM 1001 N THR A 68 -3.364 6.096 -3.314 1.00 0.00 N ATOM 1002 CA THR A 68 -4.321 5.918 -4.410 1.00 0.00 C ATOM 1003 C THR A 68 -5.724 6.305 -3.934 1.00 0.00 C ATOM 1004 O THR A 68 -6.047 6.177 -2.748 1.00 0.00 O ATOM 1005 CB THR A 68 -4.358 4.455 -4.944 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.914 4.422 -6.262 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.209 3.555 -4.070 1.00 0.00 C ATOM 0 H THR A 68 -3.734 5.842 -2.398 1.00 0.00 H new ATOM 0 HA THR A 68 -3.994 6.562 -5.226 1.00 0.00 H new ATOM 0 HB THR A 68 -3.329 4.097 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.930 3.498 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.208 2.544 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.802 3.539 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.231 3.934 -4.043 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.526 6.819 -4.857 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.935 7.119 -4.601 1.00 0.00 C ATOM 1017 C GLU A 69 -8.720 5.835 -4.304 1.00 0.00 C ATOM 1018 O GLU A 69 -8.588 4.851 -5.035 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.538 7.783 -5.846 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.731 8.690 -5.558 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.334 9.980 -4.873 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.716 10.185 -3.703 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -8.639 10.801 -5.510 1.00 0.00 O ATOM 0 H GLU A 69 -6.222 7.041 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.998 7.782 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.764 8.367 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.848 7.005 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.239 8.922 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.445 8.156 -4.931 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.531 5.830 -3.243 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.391 4.682 -2.966 1.00 0.00 C ATOM 1032 C PHE A 70 -11.833 5.098 -2.738 1.00 0.00 C ATOM 1033 O PHE A 70 -12.110 6.251 -2.447 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.881 3.885 -1.752 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.111 4.487 -0.374 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.043 4.666 0.485 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.376 4.841 0.073 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.229 5.182 1.759 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.567 5.364 1.337 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.494 5.533 2.182 1.00 0.00 C ATOM 0 H PHE A 70 -9.609 6.595 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.356 4.043 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.351 2.902 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.809 3.729 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.048 4.400 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.226 4.705 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.384 5.309 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.559 5.640 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.642 5.939 3.172 1.00 0.00 H new ATOM 1050 N THR A 71 -12.746 4.158 -2.919 1.00 0.00 N ATOM 1051 CA THR A 71 -14.112 4.308 -2.438 1.00 0.00 C ATOM 1052 C THR A 71 -14.619 2.976 -1.870 1.00 0.00 C ATOM 1053 O THR A 71 -14.765 2.007 -2.614 1.00 0.00 O ATOM 1054 CB THR A 71 -15.028 4.798 -3.584 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.485 6.006 -4.136 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.442 5.063 -3.092 1.00 0.00 C ATOM 0 H THR A 71 -12.565 3.276 -3.399 1.00 0.00 H new ATOM 0 HA THR A 71 -14.130 5.052 -1.641 1.00 0.00 H new ATOM 0 HB THR A 71 -15.073 4.017 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.061 6.321 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.058 5.406 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.863 4.145 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.420 5.829 -2.317 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.850 2.876 -0.536 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.284 1.621 0.065 1.00 0.00 C ATOM 1066 C PRO A 72 -16.732 1.297 -0.220 1.00 0.00 C ATOM 1067 O PRO A 72 -17.616 2.154 -0.177 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.077 1.793 1.569 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.746 3.237 1.805 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.701 3.948 0.471 1.00 0.00 C ATOM 0 HA PRO A 72 -14.711 0.793 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.976 1.509 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.271 1.150 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.494 3.695 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.786 3.326 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.502 4.683 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.761 4.485 0.341 1.00 0.00 H new ATOM 1078 N THR A 73 -16.938 0.035 -0.503 1.00 0.00 N ATOM 1079 CA THR A 73 -18.243 -0.523 -0.767 1.00 0.00 C ATOM 1080 C THR A 73 -18.400 -1.758 0.103 1.00 0.00 C ATOM 1081 O THR A 73 -17.411 -2.255 0.644 1.00 0.00 O ATOM 1082 CB THR A 73 -18.366 -0.909 -2.258 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.434 -1.953 -2.555 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.086 0.293 -3.150 1.00 0.00 C ATOM 0 H THR A 73 -16.185 -0.651 -0.558 1.00 0.00 H new ATOM 0 HA THR A 73 -19.021 0.207 -0.541 1.00 0.00 H new ATOM 0 HB THR A 73 -19.383 -1.253 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.767 -1.624 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.178 -0.001 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.803 1.084 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.076 0.657 -2.963 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.623 -2.231 0.270 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.871 -3.469 0.995 1.00 0.00 C ATOM 1094 C GLU A 74 -19.190 -4.687 0.317 1.00 0.00 C ATOM 1095 O GLU A 74 -19.151 -5.779 0.882 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.400 -3.658 1.140 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.815 -5.015 1.657 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.416 -5.238 3.100 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.041 -6.376 3.450 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.489 -4.278 3.897 1.00 0.00 O ATOM 0 H GLU A 74 -20.463 -1.776 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.424 -3.402 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.786 -2.893 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.868 -3.494 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.896 -5.120 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.364 -5.789 1.036 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.638 -4.496 -0.883 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.038 -5.607 -1.631 1.00 0.00 C ATOM 1109 C LYS A 75 -16.505 -5.526 -1.839 1.00 0.00 C ATOM 1110 O LYS A 75 -15.855 -6.571 -1.898 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.724 -5.766 -3.001 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.212 -6.155 -2.977 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.430 -7.648 -2.724 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.586 -7.970 -1.242 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.362 -9.409 -0.947 1.00 0.00 N ATOM 0 H LYS A 75 -18.593 -3.593 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.205 -6.478 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.625 -4.826 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.182 -6.522 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.720 -5.582 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.670 -5.881 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.320 -7.978 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.587 -8.209 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.881 -7.370 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.586 -7.687 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.479 -9.577 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.051 -9.983 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.398 -9.676 -1.233 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.909 -4.335 -1.969 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.526 -4.253 -2.432 1.00 0.00 C ATOM 1131 C ASP A 76 -13.518 -4.204 -1.268 1.00 0.00 C ATOM 1132 O ASP A 76 -13.661 -3.423 -0.326 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.321 -3.037 -3.345 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.277 -2.995 -4.522 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.966 -1.965 -4.695 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.327 -3.974 -5.292 1.00 0.00 O ATOM 0 H ASP A 76 -16.351 -3.439 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.337 -5.165 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.441 -2.127 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.297 -3.042 -3.719 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.491 -5.043 -1.379 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.405 -5.156 -0.396 1.00 0.00 C ATOM 1143 C GLU A 77 -10.181 -4.373 -0.886 1.00 0.00 C ATOM 1144 O GLU A 77 -9.997 -4.201 -2.094 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.022 -6.633 -0.256 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.920 -6.930 0.753 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.460 -8.363 0.648 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -9.807 -9.170 1.531 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.761 -8.686 -0.335 1.00 0.00 O ATOM 0 H GLU A 77 -12.384 -5.679 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.735 -4.754 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.911 -7.196 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.707 -7.003 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.077 -6.261 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.284 -6.734 1.762 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.354 -3.899 0.039 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.115 -3.202 -0.320 1.00 0.00 C ATOM 1158 C TYR A 78 -6.896 -3.840 0.367 1.00 0.00 C ATOM 1159 O TYR A 78 -6.929 -4.124 1.566 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.224 -1.709 0.035 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.256 -0.952 -0.782 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.612 -1.052 -0.488 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.876 -0.136 -1.840 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.558 -0.362 -1.231 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.815 0.555 -2.581 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.150 0.439 -2.273 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.080 1.125 -3.019 1.00 0.00 O ATOM 0 H TYR A 78 -9.515 -3.982 1.043 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.971 -3.296 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.473 -1.615 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.250 -1.241 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.933 -1.677 0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.829 -0.040 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.608 -0.453 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.501 1.185 -3.400 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.943 1.117 -2.554 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.830 -4.067 -0.411 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.620 -4.743 0.070 1.00 0.00 C ATOM 1179 C ALA A 79 -3.349 -4.028 -0.413 1.00 0.00 C ATOM 1180 O ALA A 79 -3.405 -3.276 -1.385 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.619 -6.176 -0.434 1.00 0.00 C ATOM 0 H ALA A 79 -5.783 -3.787 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.624 -4.724 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.722 -6.685 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.502 -6.694 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.632 -6.178 -1.524 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.202 -4.251 0.251 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.943 -3.725 -0.271 1.00 0.00 C ATOM 1189 C CYS A 80 0.095 -4.842 -0.413 1.00 0.00 C ATOM 1190 O CYS A 80 0.349 -5.596 0.524 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.404 -2.520 0.555 1.00 0.00 C ATOM 1192 SG CYS A 80 0.388 -2.789 2.128 1.00 0.00 S ATOM 0 H CYS A 80 -2.126 -4.776 1.122 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.146 -3.330 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.307 -1.988 -0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.243 -1.846 0.728 1.00 0.00 H new ATOM 1197 N ARG A 81 0.638 -4.973 -1.624 1.00 0.00 N ATOM 1198 CA ARG A 81 1.583 -6.043 -1.971 1.00 0.00 C ATOM 1199 C ARG A 81 3.015 -5.516 -1.930 1.00 0.00 C ATOM 1200 O ARG A 81 3.285 -4.453 -2.481 1.00 0.00 O ATOM 1201 CB ARG A 81 1.281 -6.534 -3.391 1.00 0.00 C ATOM 1202 CG ARG A 81 1.802 -7.934 -3.734 1.00 0.00 C ATOM 1203 CD ARG A 81 1.309 -8.385 -5.119 1.00 0.00 C ATOM 1204 NE ARG A 81 1.820 -7.478 -6.153 1.00 0.00 N ATOM 1205 CZ ARG A 81 2.855 -7.755 -6.951 1.00 0.00 C ATOM 1206 NH1 ARG A 81 3.353 -8.983 -7.003 1.00 0.00 N ATOM 1207 NH2 ARG A 81 3.364 -6.805 -7.729 1.00 0.00 N ATOM 0 H ARG A 81 0.436 -4.339 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 81 1.477 -6.857 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.201 -6.522 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.707 -5.824 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.892 -7.934 -3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.470 -8.645 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.643 -9.403 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.219 -8.397 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 81 1.355 -6.578 -6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.946 -9.723 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.143 -9.187 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.964 -5.867 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.154 -7.014 -8.339 1.00 0.00 H new ATOM 1221 N VAL A 82 3.926 -6.240 -1.286 1.00 0.00 N ATOM 1222 CA VAL A 82 5.329 -5.818 -1.278 1.00 0.00 C ATOM 1223 C VAL A 82 6.288 -6.980 -1.514 1.00 0.00 C ATOM 1224 O VAL A 82 6.096 -8.088 -1.002 1.00 0.00 O ATOM 1225 CB VAL A 82 5.724 -5.071 0.021 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.088 -6.039 1.137 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.867 -4.112 -0.266 1.00 0.00 C ATOM 0 H VAL A 82 3.729 -7.100 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 82 5.420 -5.120 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 82 4.861 -4.501 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.359 -5.478 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.234 -6.680 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.932 -6.654 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.142 -3.589 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.726 -4.671 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.554 -3.387 -1.018 1.00 0.00 H new ATOM 1237 N ASN A 83 7.304 -6.707 -2.321 1.00 0.00 N ATOM 1238 CA ASN A 83 8.355 -7.674 -2.604 1.00 0.00 C ATOM 1239 C ASN A 83 9.723 -7.017 -2.585 1.00 0.00 C ATOM 1240 O ASN A 83 9.883 -5.861 -2.984 1.00 0.00 O ATOM 1241 CB ASN A 83 8.121 -8.347 -3.961 1.00 0.00 C ATOM 1242 CG ASN A 83 9.045 -9.533 -4.183 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.442 -10.213 -3.234 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.398 -9.789 -5.435 1.00 0.00 N ATOM 0 H ASN A 83 7.423 -5.812 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 83 8.324 -8.433 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.085 -8.679 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.272 -7.618 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.019 -10.572 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.048 -9.203 -6.193 1.00 0.00 H new ATOM 1251 N HIS A 84 10.692 -7.763 -2.088 1.00 0.00 N ATOM 1252 CA HIS A 84 12.082 -7.350 -2.102 1.00 0.00 C ATOM 1253 C HIS A 84 12.917 -8.497 -2.656 1.00 0.00 C ATOM 1254 O HIS A 84 12.417 -9.621 -2.764 1.00 0.00 O ATOM 1255 CB HIS A 84 12.551 -6.973 -0.683 1.00 0.00 C ATOM 1256 CG HIS A 84 13.932 -6.381 -0.613 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.045 -7.178 -0.479 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.325 -5.085 -0.657 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.080 -6.357 -0.447 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.693 -5.079 -0.553 1.00 0.00 N ATOM 0 H HIS A 84 10.536 -8.676 -1.662 1.00 0.00 H new ATOM 0 HA HIS A 84 12.200 -6.468 -2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.843 -6.261 -0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.521 -7.864 -0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.684 -4.222 -0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.107 -6.676 -0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.299 -4.259 -0.556 1.00 0.00 H new ATOM 1268 N VAL A 85 14.159 -8.221 -3.022 1.00 0.00 N ATOM 1269 CA VAL A 85 15.070 -9.258 -3.508 1.00 0.00 C ATOM 1270 C VAL A 85 15.075 -10.481 -2.580 1.00 0.00 C ATOM 1271 O VAL A 85 15.119 -11.621 -3.045 1.00 0.00 O ATOM 1272 CB VAL A 85 16.515 -8.722 -3.646 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.459 -9.813 -4.147 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.554 -7.513 -4.572 1.00 0.00 C ATOM 0 H VAL A 85 14.565 -7.286 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 85 14.705 -9.558 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 85 16.854 -8.410 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.468 -9.409 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.461 -10.644 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.123 -10.165 -5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.579 -7.152 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.188 -7.798 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.923 -6.723 -4.166 1.00 0.00 H new ATOM 1284 N THR A 86 14.979 -10.236 -1.274 1.00 0.00 N ATOM 1285 CA THR A 86 15.084 -11.314 -0.281 1.00 0.00 C ATOM 1286 C THR A 86 13.861 -12.245 -0.301 1.00 0.00 C ATOM 1287 O THR A 86 14.011 -13.456 -0.470 1.00 0.00 O ATOM 1288 CB THR A 86 15.308 -10.768 1.157 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.192 -11.827 2.117 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.317 -9.658 1.500 1.00 0.00 C ATOM 0 H THR A 86 14.830 -9.308 -0.877 1.00 0.00 H new ATOM 0 HA THR A 86 15.961 -11.895 -0.568 1.00 0.00 H new ATOM 0 HB THR A 86 16.314 -10.350 1.193 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.337 -11.469 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.505 -9.302 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.437 -8.833 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.300 -10.045 1.435 1.00 0.00 H new ATOM 1298 N LEU A 87 12.660 -11.684 -0.111 1.00 0.00 N ATOM 1299 CA LEU A 87 11.434 -12.485 -0.031 1.00 0.00 C ATOM 1300 C LEU A 87 11.295 -13.468 -1.187 1.00 0.00 C ATOM 1301 O LEU A 87 11.075 -14.662 -0.963 1.00 0.00 O ATOM 1302 CB LEU A 87 10.197 -11.591 -0.008 1.00 0.00 C ATOM 1303 CG LEU A 87 10.174 -10.515 1.072 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.970 -9.620 0.874 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.163 -11.138 2.461 1.00 0.00 C ATOM 0 H LEU A 87 12.512 -10.680 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 87 11.510 -13.051 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.105 -11.106 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.318 -12.223 0.117 1.00 0.00 H new ATOM 0 HG LEU A 87 11.079 -9.914 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.956 -8.852 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.026 -9.147 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.059 -10.216 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.147 -10.349 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.278 -11.764 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.057 -11.747 2.594 1.00 0.00 H new ATOM 1317 N SER A 88 11.393 -12.947 -2.414 1.00 0.00 N ATOM 1318 CA SER A 88 11.203 -13.729 -3.642 1.00 0.00 C ATOM 1319 C SER A 88 9.711 -14.012 -3.875 1.00 0.00 C ATOM 1320 O SER A 88 9.269 -14.193 -5.012 1.00 0.00 O ATOM 1321 CB SER A 88 12.018 -15.033 -3.602 1.00 0.00 C ATOM 1322 OG SER A 88 12.027 -15.689 -4.861 1.00 0.00 O ATOM 0 H SER A 88 11.608 -11.965 -2.585 1.00 0.00 H new ATOM 0 HA SER A 88 11.571 -13.139 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.042 -14.812 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.600 -15.700 -2.848 1.00 0.00 H new ATOM 0 HG SER A 88 12.555 -16.512 -4.797 1.00 0.00 H new ATOM 1328 N GLN A 89 8.943 -14.027 -2.792 1.00 0.00 N ATOM 1329 CA GLN A 89 7.496 -14.165 -2.869 1.00 0.00 C ATOM 1330 C GLN A 89 6.824 -13.033 -2.074 1.00 0.00 C ATOM 1331 O GLN A 89 6.904 -13.010 -0.845 1.00 0.00 O ATOM 1332 CB GLN A 89 7.021 -15.550 -2.370 1.00 0.00 C ATOM 1333 CG GLN A 89 7.508 -15.970 -0.977 1.00 0.00 C ATOM 1334 CD GLN A 89 6.876 -17.270 -0.519 1.00 0.00 C ATOM 1335 OE1 GLN A 89 6.510 -18.116 -1.334 1.00 0.00 O ATOM 1336 NE2 GLN A 89 6.765 -17.448 0.786 1.00 0.00 N ATOM 0 H GLN A 89 9.304 -13.944 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 89 7.203 -14.089 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.931 -15.559 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.345 -16.303 -3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.592 -16.080 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.276 -15.183 -0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.081 -16.721 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.364 -18.312 1.151 1.00 0.00 H new ATOM 1345 N PRO A 90 6.185 -12.051 -2.757 1.00 0.00 N ATOM 1346 CA PRO A 90 5.574 -10.899 -2.073 1.00 0.00 C ATOM 1347 C PRO A 90 4.371 -11.272 -1.219 1.00 0.00 C ATOM 1348 O PRO A 90 3.745 -12.314 -1.422 1.00 0.00 O ATOM 1349 CB PRO A 90 5.135 -9.967 -3.198 1.00 0.00 C ATOM 1350 CG PRO A 90 5.038 -10.824 -4.420 1.00 0.00 C ATOM 1351 CD PRO A 90 6.020 -11.977 -4.226 1.00 0.00 C ATOM 0 HA PRO A 90 6.289 -10.450 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.176 -9.502 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.854 -9.161 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.023 -11.198 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.285 -10.252 -5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.629 -12.909 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.969 -11.784 -4.727 1.00 0.00 H new ATOM 1359 N LYS A 91 4.053 -10.403 -0.271 1.00 0.00 N ATOM 1360 CA LYS A 91 2.929 -10.627 0.625 1.00 0.00 C ATOM 1361 C LYS A 91 1.790 -9.658 0.310 1.00 0.00 C ATOM 1362 O LYS A 91 2.017 -8.568 -0.217 1.00 0.00 O ATOM 1363 CB LYS A 91 3.338 -10.424 2.100 1.00 0.00 C ATOM 1364 CG LYS A 91 4.591 -11.185 2.573 1.00 0.00 C ATOM 1365 CD LYS A 91 5.094 -10.687 3.939 1.00 0.00 C ATOM 1366 CE LYS A 91 5.825 -11.780 4.725 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.962 -12.964 4.966 1.00 0.00 N ATOM 0 H LYS A 91 4.559 -9.534 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 91 2.602 -11.656 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.502 -9.359 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.500 -10.720 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.365 -12.249 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.383 -11.072 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.764 -9.840 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.249 -10.325 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.716 -12.086 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.161 -11.376 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.285 -13.461 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.977 -12.655 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.018 -13.607 4.150 1.00 0.00 H new ATOM 1381 N ILE A 92 0.577 -10.087 0.624 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.583 -9.205 0.574 1.00 0.00 C ATOM 1383 C ILE A 92 -1.109 -8.942 1.980 1.00 0.00 C ATOM 1384 O ILE A 92 -1.255 -9.861 2.792 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.729 -9.722 -0.354 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.702 -8.998 -1.701 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.098 -9.531 0.279 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.408 -7.530 -1.577 1.00 0.00 C ATOM 0 H ILE A 92 0.368 -11.042 0.917 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.237 -8.272 0.130 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.558 -10.788 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.949 -9.460 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.664 -9.129 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.867 -9.903 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.144 -10.082 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.265 -8.471 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.403 -7.075 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.174 -7.056 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.433 -7.392 -1.110 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.353 -7.677 2.266 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.951 -7.255 3.519 1.00 0.00 C ATOM 1402 C VAL A 93 -3.277 -6.580 3.214 1.00 0.00 C ATOM 1403 O VAL A 93 -3.330 -5.645 2.421 1.00 0.00 O ATOM 1404 CB VAL A 93 -1.031 -6.266 4.252 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.778 -5.061 3.416 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.593 -5.853 5.601 1.00 0.00 C ATOM 0 H VAL A 93 -1.140 -6.908 1.631 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.101 -8.124 4.159 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.088 -6.783 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.125 -4.375 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.300 -5.359 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.724 -4.565 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.909 -5.154 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.562 -5.374 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.713 -6.735 6.231 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.352 -7.052 3.792 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.639 -6.478 3.468 1.00 0.00 C ATOM 1418 C LYS A 94 -6.186 -5.688 4.639 1.00 0.00 C ATOM 1419 O LYS A 94 -6.023 -6.069 5.802 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.614 -7.555 3.035 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.035 -8.500 2.022 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.806 -9.798 2.043 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.903 -10.380 3.443 1.00 0.00 C ATOM 1424 NZ LYS A 94 -7.601 -11.691 3.442 1.00 0.00 N ATOM 0 H LYS A 94 -4.368 -7.812 4.472 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.505 -5.790 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.933 -8.121 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.504 -7.085 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.079 -8.055 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.984 -8.686 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.809 -9.630 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.321 -10.518 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.902 -10.500 3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.435 -9.684 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.649 -12.059 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.564 -11.571 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.079 -12.362 2.843 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.831 -4.586 4.317 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.302 -3.649 5.323 1.00 0.00 C ATOM 1440 C TRP A 95 -8.541 -4.195 6.027 1.00 0.00 C ATOM 1441 O TRP A 95 -9.495 -4.646 5.388 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.570 -2.273 4.684 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.070 -1.214 5.631 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.549 -0.867 6.852 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.183 -0.332 5.411 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.283 0.138 7.412 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.291 0.487 6.555 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.107 -0.157 4.366 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.276 1.450 6.691 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.082 0.809 4.496 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.167 1.599 5.650 1.00 0.00 C ATOM 0 H TRP A 95 -7.044 -4.313 3.358 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.527 -3.521 6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.649 -1.919 4.222 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.300 -2.397 3.884 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.682 -1.324 7.305 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.108 0.561 8.323 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.054 -0.768 3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.344 2.061 7.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.791 0.959 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.948 2.341 5.726 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.491 -4.166 7.350 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.550 -4.697 8.203 1.00 0.00 C ATOM 1464 C ASP A 96 -10.838 -3.905 8.029 1.00 0.00 C ATOM 1465 O ASP A 96 -11.027 -2.864 8.657 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.105 -4.647 9.665 1.00 0.00 C ATOM 1467 CG ASP A 96 -7.735 -5.258 9.868 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.731 -4.528 9.718 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.649 -6.466 10.159 1.00 0.00 O ATOM 0 H ASP A 96 -7.708 -3.770 7.869 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.742 -5.730 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.093 -3.611 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.832 -5.175 10.282 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.719 -4.404 7.165 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.011 -3.765 6.934 1.00 0.00 C ATOM 1476 C ARG A 97 -13.899 -4.662 6.075 1.00 0.00 C ATOM 1477 O ARG A 97 -15.105 -4.439 5.959 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.807 -2.383 6.268 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.702 -2.404 4.739 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.088 -2.267 4.082 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.928 -1.307 4.799 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.092 -0.843 4.351 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.587 -1.262 3.194 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -16.767 0.036 5.077 1.00 0.00 N ATOM 0 H ARG A 97 -11.562 -5.248 6.614 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.510 -3.613 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.637 -1.736 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.900 -1.933 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.057 -1.591 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.235 -3.335 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.971 -1.948 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.580 -3.239 4.062 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.599 -0.971 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.075 -1.947 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.480 -0.900 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.394 0.352 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.660 0.397 4.741 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.303 -5.698 5.499 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.000 -6.533 4.519 1.00 0.00 C ATOM 1500 C ASP A 98 -13.222 -7.822 4.206 1.00 0.00 C ATOM 1501 O ASP A 98 -13.726 -8.698 3.511 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.195 -5.732 3.233 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.307 -6.276 2.359 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -15.049 -7.178 1.535 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.449 -5.793 2.495 1.00 0.00 O ATOM 0 H ASP A 98 -12.342 -5.983 5.690 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.962 -6.822 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.415 -4.695 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.263 -5.731 2.667 1.00 0.00 H new ATOM 1510 N MET A 99 -12.008 -7.946 4.753 1.00 0.00 N ATOM 1511 CA MET A 99 -11.112 -9.072 4.429 1.00 0.00 C ATOM 1512 C MET A 99 -11.744 -10.436 4.738 1.00 0.00 C ATOM 1513 CB MET A 99 -9.746 -8.939 5.142 1.00 0.00 C ATOM 1514 CG MET A 99 -9.765 -8.187 6.495 1.00 0.00 C ATOM 1515 SD MET A 99 -11.130 -8.650 7.582 1.00 0.00 S ATOM 1516 CE MET A 99 -10.628 -7.883 9.119 1.00 0.00 C ATOM 0 H MET A 99 -11.619 -7.282 5.423 1.00 0.00 H new ATOM 0 HA MET A 99 -10.946 -9.024 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.345 -9.939 5.309 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.056 -8.426 4.472 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.824 -8.372 7.013 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.817 -7.116 6.301 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.887 -8.536 9.953 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.551 -7.718 9.108 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.140 -6.928 9.233 1.00 0.00 H new TER 1525 MET A 99