USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 384 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 40:sc= 0.0064 USER MOD Single : A 10 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.8!) USER MOD Single : A 20 SER OG : rot -106:sc= 0.166 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -152:sc= -8.63! (180deg=-10.4!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00596 X(o=-0.006,f=-0.16) USER MOD Single : A 29 MET CE :methyl -117:sc= -2.76 (180deg=-8.55!) USER MOD Single : A 33 ASN : amide:sc=-0.00273 X(o=-0.0027,f=-0.035) USER MOD Single : A 34 TYR OH : rot 157:sc= -0.334 USER MOD Single : A 35 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.042) USER MOD Single : A 37 ASN : amide:sc= -4.66! C(o=-4.7!,f=-9.2!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 15:sc= 0.27 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 49 ASN : amide:sc=-0.00757 X(o=-0.0076,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.7 K(o=-2.7,f=-3.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 39:sc= 0.306 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.402 -10.254 -11.590 1.00 0.00 N ATOM 2 CA GLY A 1 22.521 -10.608 -12.690 1.00 0.00 C ATOM 3 C GLY A 1 22.143 -9.373 -13.509 1.00 0.00 C ATOM 4 O GLY A 1 23.016 -8.642 -13.976 1.00 0.00 O ATOM 0 H1 GLY A 1 23.644 -11.109 -11.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.271 -9.825 -11.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.922 -9.574 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.012 -11.339 -13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.619 -11.081 -12.301 1.00 0.00 H new ATOM 8 N SER A 2 20.841 -9.177 -13.658 1.00 0.00 N ATOM 9 CA SER A 2 20.337 -8.042 -14.413 1.00 0.00 C ATOM 10 C SER A 2 20.469 -6.763 -13.586 1.00 0.00 C ATOM 11 O SER A 2 19.654 -6.503 -12.702 1.00 0.00 O ATOM 12 CB SER A 2 18.880 -8.259 -14.826 1.00 0.00 C ATOM 13 OG SER A 2 18.677 -9.539 -15.418 1.00 0.00 O ATOM 0 H SER A 2 20.120 -9.785 -13.269 1.00 0.00 H new ATOM 0 HA SER A 2 20.933 -7.943 -15.320 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.237 -8.158 -13.952 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.584 -7.482 -15.531 1.00 0.00 H new ATOM 0 HG SER A 2 17.734 -9.639 -15.666 1.00 0.00 H new ATOM 18 N SER A 3 21.504 -5.997 -13.900 1.00 0.00 N ATOM 19 CA SER A 3 21.754 -4.751 -13.196 1.00 0.00 C ATOM 20 C SER A 3 21.094 -3.588 -13.941 1.00 0.00 C ATOM 21 O SER A 3 21.661 -3.052 -14.891 1.00 0.00 O ATOM 22 CB SER A 3 23.255 -4.497 -13.041 1.00 0.00 C ATOM 23 OG SER A 3 23.523 -3.243 -12.421 1.00 0.00 O ATOM 0 H SER A 3 22.179 -6.216 -14.633 1.00 0.00 H new ATOM 0 HA SER A 3 21.321 -4.829 -12.199 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.699 -5.297 -12.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.731 -4.526 -14.021 1.00 0.00 H new ATOM 0 HG SER A 3 24.492 -3.119 -12.339 1.00 0.00 H new ATOM 28 N GLY A 4 19.903 -3.232 -13.480 1.00 0.00 N ATOM 29 CA GLY A 4 19.160 -2.142 -14.089 1.00 0.00 C ATOM 30 C GLY A 4 18.962 -0.993 -13.099 1.00 0.00 C ATOM 31 O GLY A 4 19.931 -0.439 -12.583 1.00 0.00 O ATOM 0 H GLY A 4 19.435 -3.679 -12.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.693 -1.781 -14.969 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.190 -2.504 -14.430 1.00 0.00 H new ATOM 35 N SER A 5 17.699 -0.667 -12.866 1.00 0.00 N ATOM 36 CA SER A 5 17.361 0.407 -11.948 1.00 0.00 C ATOM 37 C SER A 5 17.942 1.729 -12.453 1.00 0.00 C ATOM 38 O SER A 5 18.914 1.737 -13.205 1.00 0.00 O ATOM 39 CB SER A 5 17.872 0.107 -10.537 1.00 0.00 C ATOM 40 OG SER A 5 17.033 -0.817 -9.850 1.00 0.00 O ATOM 0 H SER A 5 16.898 -1.128 -13.297 1.00 0.00 H new ATOM 0 HA SER A 5 16.275 0.489 -11.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.883 -0.296 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.931 1.035 -9.968 1.00 0.00 H new ATOM 0 HG SER A 5 17.394 -0.983 -8.954 1.00 0.00 H new ATOM 45 N SER A 6 17.321 2.816 -12.018 1.00 0.00 N ATOM 46 CA SER A 6 17.764 4.142 -12.416 1.00 0.00 C ATOM 47 C SER A 6 17.467 5.149 -11.303 1.00 0.00 C ATOM 48 O SER A 6 16.371 5.157 -10.744 1.00 0.00 O ATOM 49 CB SER A 6 17.092 4.578 -13.720 1.00 0.00 C ATOM 50 OG SER A 6 17.782 5.660 -14.339 1.00 0.00 O ATOM 0 H SER A 6 16.514 2.806 -11.394 1.00 0.00 H new ATOM 0 HA SER A 6 18.840 4.107 -12.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.051 3.733 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.063 4.873 -13.517 1.00 0.00 H new ATOM 0 HG SER A 6 17.324 5.908 -15.169 1.00 0.00 H new ATOM 55 N GLY A 7 18.463 5.974 -11.015 1.00 0.00 N ATOM 56 CA GLY A 7 18.323 6.983 -9.980 1.00 0.00 C ATOM 57 C GLY A 7 18.082 6.338 -8.613 1.00 0.00 C ATOM 58 O GLY A 7 16.954 5.971 -8.286 1.00 0.00 O ATOM 0 H GLY A 7 19.370 5.964 -11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.222 7.598 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.493 7.647 -10.224 1.00 0.00 H new ATOM 62 N PRO A 8 19.188 6.214 -7.832 1.00 0.00 N ATOM 63 CA PRO A 8 19.108 5.618 -6.509 1.00 0.00 C ATOM 64 C PRO A 8 18.469 6.586 -5.511 1.00 0.00 C ATOM 65 O PRO A 8 19.156 7.152 -4.663 1.00 0.00 O ATOM 66 CB PRO A 8 20.541 5.258 -6.152 1.00 0.00 C ATOM 67 CG PRO A 8 21.421 6.080 -7.080 1.00 0.00 C ATOM 68 CD PRO A 8 20.540 6.636 -8.187 1.00 0.00 C ATOM 0 HA PRO A 8 18.471 4.734 -6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.753 5.488 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 8 20.721 4.191 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 8 21.902 6.890 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 8 22.216 5.463 -7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.614 7.722 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.834 6.245 -9.161 1.00 0.00 H new ATOM 73 N SER A 9 17.161 6.745 -5.645 1.00 0.00 N ATOM 74 CA SER A 9 16.421 7.633 -4.765 1.00 0.00 C ATOM 75 C SER A 9 14.952 7.209 -4.706 1.00 0.00 C ATOM 76 O SER A 9 14.330 6.968 -5.740 1.00 0.00 O ATOM 77 CB SER A 9 16.535 9.087 -5.228 1.00 0.00 C ATOM 78 OG SER A 9 16.115 9.252 -6.580 1.00 0.00 O ATOM 0 H SER A 9 16.594 6.274 -6.350 1.00 0.00 H new ATOM 0 HA SER A 9 16.853 7.562 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.930 9.722 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.568 9.420 -5.126 1.00 0.00 H new ATOM 0 HG SER A 9 15.322 8.700 -6.746 1.00 0.00 H new ATOM 83 N HIS A 10 14.440 7.130 -3.487 1.00 0.00 N ATOM 84 CA HIS A 10 13.056 6.739 -3.280 1.00 0.00 C ATOM 85 C HIS A 10 12.329 7.825 -2.486 1.00 0.00 C ATOM 86 O HIS A 10 12.759 8.195 -1.394 1.00 0.00 O ATOM 87 CB HIS A 10 12.974 5.364 -2.615 1.00 0.00 C ATOM 88 CG HIS A 10 13.293 4.214 -3.542 1.00 0.00 C ATOM 89 ND1 HIS A 10 13.717 2.979 -3.085 1.00 0.00 N ATOM 90 CD2 HIS A 10 13.242 4.125 -4.901 1.00 0.00 C ATOM 91 CE1 HIS A 10 13.911 2.190 -4.131 1.00 0.00 C ATOM 92 NE2 HIS A 10 13.618 2.902 -5.256 1.00 0.00 N ATOM 0 H HIS A 10 14.959 7.330 -2.632 1.00 0.00 H new ATOM 0 HA HIS A 10 12.554 6.644 -4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.663 5.338 -1.770 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.971 5.225 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.946 4.915 -5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.243 1.163 -4.098 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.678 2.553 -6.213 1.00 0.00 H new ATOM 99 N SER A 11 11.238 8.307 -3.064 1.00 0.00 N ATOM 100 CA SER A 11 10.447 9.343 -2.424 1.00 0.00 C ATOM 101 C SER A 11 9.232 9.684 -3.290 1.00 0.00 C ATOM 102 O SER A 11 8.097 9.642 -2.817 1.00 0.00 O ATOM 103 CB SER A 11 11.285 10.597 -2.169 1.00 0.00 C ATOM 104 OG SER A 11 10.496 11.675 -1.670 1.00 0.00 O ATOM 0 H SER A 11 10.884 7.998 -3.969 1.00 0.00 H new ATOM 0 HA SER A 11 10.104 8.965 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.075 10.366 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.771 10.902 -3.095 1.00 0.00 H new ATOM 0 HG SER A 11 11.068 12.456 -1.519 1.00 0.00 H new ATOM 109 N LEU A 12 9.512 10.014 -4.542 1.00 0.00 N ATOM 110 CA LEU A 12 8.456 10.362 -5.478 1.00 0.00 C ATOM 111 C LEU A 12 8.516 9.418 -6.681 1.00 0.00 C ATOM 112 O LEU A 12 9.264 8.442 -6.672 1.00 0.00 O ATOM 113 CB LEU A 12 8.540 11.842 -5.854 1.00 0.00 C ATOM 114 CG LEU A 12 8.410 12.836 -4.698 1.00 0.00 C ATOM 115 CD1 LEU A 12 8.777 14.252 -5.148 1.00 0.00 C ATOM 116 CD2 LEU A 12 7.012 12.776 -4.078 1.00 0.00 C ATOM 0 H LEU A 12 10.455 10.048 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 12 7.478 10.229 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.494 12.016 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.757 12.057 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 12 9.120 12.551 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.676 14.939 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.807 14.265 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.110 14.563 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.946 13.492 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.267 13.021 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.825 11.772 -3.698 1.00 0.00 H new ATOM 127 N GLN A 13 7.716 9.742 -7.687 1.00 0.00 N ATOM 128 CA GLN A 13 7.668 8.935 -8.894 1.00 0.00 C ATOM 129 C GLN A 13 7.131 7.538 -8.578 1.00 0.00 C ATOM 130 O GLN A 13 7.473 6.956 -7.549 1.00 0.00 O ATOM 131 CB GLN A 13 9.045 8.856 -9.556 1.00 0.00 C ATOM 132 CG GLN A 13 8.957 8.181 -10.925 1.00 0.00 C ATOM 133 CD GLN A 13 9.862 8.881 -11.942 1.00 0.00 C ATOM 134 OE1 GLN A 13 10.384 9.958 -11.707 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.016 8.212 -13.080 1.00 0.00 N ATOM 0 H GLN A 13 7.096 10.552 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 13 6.989 9.413 -9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.457 9.859 -9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.729 8.299 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.245 7.134 -10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.926 8.199 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.550 7.314 -13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.601 8.596 -13.822 1.00 0.00 H new ATOM 142 N ALA A 14 6.299 7.039 -9.480 1.00 0.00 N ATOM 143 CA ALA A 14 5.712 5.722 -9.310 1.00 0.00 C ATOM 144 C ALA A 14 4.936 5.679 -7.992 1.00 0.00 C ATOM 145 O ALA A 14 5.179 6.489 -7.098 1.00 0.00 O ATOM 146 CB ALA A 14 6.812 4.659 -9.373 1.00 0.00 C ATOM 0 H ALA A 14 6.017 7.524 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 14 5.008 5.511 -10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.371 3.671 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.313 4.711 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.537 4.838 -8.579 1.00 0.00 H new ATOM 152 N PRO A 15 3.992 4.703 -7.911 1.00 0.00 N ATOM 153 CA PRO A 15 3.179 4.545 -6.718 1.00 0.00 C ATOM 154 C PRO A 15 3.986 3.909 -5.585 1.00 0.00 C ATOM 155 O PRO A 15 4.319 4.573 -4.605 1.00 0.00 O ATOM 156 CB PRO A 15 1.997 3.697 -7.157 1.00 0.00 C ATOM 157 CG PRO A 15 2.425 3.024 -8.451 1.00 0.00 C ATOM 158 CD PRO A 15 3.677 3.727 -8.950 1.00 0.00 C ATOM 0 HA PRO A 15 2.838 5.497 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.743 2.958 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.111 4.312 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.623 1.965 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.630 3.086 -9.195 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.496 3.023 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.503 4.213 -9.910 1.00 0.00 H new ATOM 163 N GLU A 16 4.277 2.627 -5.757 1.00 0.00 N ATOM 164 CA GLU A 16 5.039 1.892 -4.761 1.00 0.00 C ATOM 165 C GLU A 16 6.336 2.633 -4.432 1.00 0.00 C ATOM 166 O GLU A 16 6.810 2.590 -3.297 1.00 0.00 O ATOM 167 CB GLU A 16 5.326 0.466 -5.233 1.00 0.00 C ATOM 168 CG GLU A 16 6.094 0.471 -6.557 1.00 0.00 C ATOM 169 CD GLU A 16 5.402 -0.416 -7.595 1.00 0.00 C ATOM 170 OE1 GLU A 16 5.611 -1.645 -7.520 1.00 0.00 O ATOM 171 OE2 GLU A 16 4.680 0.157 -8.440 1.00 0.00 O ATOM 0 H GLU A 16 3.999 2.079 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 16 4.442 1.825 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.904 -0.062 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.388 -0.076 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.167 1.491 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.112 0.118 -6.392 1.00 0.00 H new ATOM 176 N VAL A 17 6.874 3.297 -5.444 1.00 0.00 N ATOM 177 CA VAL A 17 8.107 4.047 -5.277 1.00 0.00 C ATOM 178 C VAL A 17 7.843 5.263 -4.386 1.00 0.00 C ATOM 179 O VAL A 17 8.773 5.834 -3.817 1.00 0.00 O ATOM 180 CB VAL A 17 8.681 4.422 -6.645 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.762 5.497 -6.509 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.224 3.187 -7.368 1.00 0.00 C ATOM 0 H VAL A 17 6.478 3.331 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 17 8.861 3.437 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 17 7.872 4.835 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.154 5.746 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.333 6.389 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.571 5.123 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.626 3.481 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.014 2.733 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.419 2.467 -7.512 1.00 0.00 H new ATOM 192 N ARG A 18 6.571 5.624 -4.293 1.00 0.00 N ATOM 193 CA ARG A 18 6.173 6.760 -3.481 1.00 0.00 C ATOM 194 C ARG A 18 5.710 6.292 -2.100 1.00 0.00 C ATOM 195 O ARG A 18 6.119 6.847 -1.082 1.00 0.00 O ATOM 196 CB ARG A 18 5.044 7.547 -4.150 1.00 0.00 C ATOM 197 CG ARG A 18 4.915 8.945 -3.542 1.00 0.00 C ATOM 198 CD ARG A 18 3.505 9.504 -3.750 1.00 0.00 C ATOM 199 NE ARG A 18 3.539 10.610 -4.733 1.00 0.00 N ATOM 200 CZ ARG A 18 2.455 11.275 -5.152 1.00 0.00 C ATOM 201 NH1 ARG A 18 1.245 10.951 -4.678 1.00 0.00 N ATOM 202 NH2 ARG A 18 2.580 12.265 -6.047 1.00 0.00 N ATOM 0 H ARG A 18 5.803 5.149 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 18 7.041 7.410 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.237 7.628 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.103 7.009 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.141 8.905 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.646 9.613 -3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.840 8.715 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.103 9.861 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 18 4.445 10.883 -5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.149 10.197 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.420 11.458 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.501 12.512 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.754 12.771 -6.366 1.00 0.00 H new ATOM 213 N PHE A 19 4.862 5.273 -2.111 1.00 0.00 N ATOM 214 CA PHE A 19 4.338 4.723 -0.872 1.00 0.00 C ATOM 215 C PHE A 19 5.199 3.555 -0.384 1.00 0.00 C ATOM 216 O PHE A 19 4.709 2.665 0.309 1.00 0.00 O ATOM 217 CB PHE A 19 2.929 4.211 -1.171 1.00 0.00 C ATOM 218 CG PHE A 19 2.057 5.203 -1.944 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.835 6.447 -1.442 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.506 4.841 -3.134 1.00 0.00 C ATOM 221 CE1 PHE A 19 1.025 7.368 -2.160 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.697 5.761 -3.851 1.00 0.00 C ATOM 223 CZ PHE A 19 0.474 7.005 -3.349 1.00 0.00 C ATOM 0 H PHE A 19 4.525 4.814 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 19 4.337 5.488 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.003 3.286 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.436 3.965 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.274 6.735 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.684 3.853 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.847 8.356 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.259 5.473 -4.795 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.141 7.705 -3.895 1.00 0.00 H new ATOM 232 N SER A 20 6.468 3.597 -0.765 1.00 0.00 N ATOM 233 CA SER A 20 7.401 2.554 -0.374 1.00 0.00 C ATOM 234 C SER A 20 7.475 2.462 1.152 1.00 0.00 C ATOM 235 O SER A 20 7.242 1.399 1.725 1.00 0.00 O ATOM 236 CB SER A 20 8.792 2.813 -0.959 1.00 0.00 C ATOM 237 OG SER A 20 9.022 4.199 -1.196 1.00 0.00 O ATOM 0 H SER A 20 6.871 4.337 -1.340 1.00 0.00 H new ATOM 0 HA SER A 20 7.040 1.605 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.550 2.432 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.900 2.263 -1.894 1.00 0.00 H new ATOM 0 HG SER A 20 8.980 4.378 -2.159 1.00 0.00 H new ATOM 242 N LYS A 21 7.801 3.590 1.765 1.00 0.00 N ATOM 243 CA LYS A 21 7.908 3.651 3.213 1.00 0.00 C ATOM 244 C LYS A 21 6.695 2.959 3.839 1.00 0.00 C ATOM 245 O LYS A 21 6.803 2.351 4.902 1.00 0.00 O ATOM 246 CB LYS A 21 8.100 5.096 3.677 1.00 0.00 C ATOM 247 CG LYS A 21 9.571 5.510 3.585 1.00 0.00 C ATOM 248 CD LYS A 21 9.945 6.461 4.724 1.00 0.00 C ATOM 249 CE LYS A 21 11.364 7.001 4.543 1.00 0.00 C ATOM 250 NZ LYS A 21 11.369 8.136 3.592 1.00 0.00 N ATOM 0 H LYS A 21 7.995 4.469 1.286 1.00 0.00 H new ATOM 0 HA LYS A 21 8.793 3.113 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.492 5.762 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.752 5.201 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.205 4.624 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.757 5.994 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.238 7.290 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.870 5.939 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.762 7.323 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.017 6.209 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.340 8.491 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.008 7.818 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.762 8.897 3.957 1.00 0.00 H new ATOM 260 N GLU A 22 5.567 3.078 3.154 1.00 0.00 N ATOM 261 CA GLU A 22 4.335 2.473 3.629 1.00 0.00 C ATOM 262 C GLU A 22 4.352 0.964 3.375 1.00 0.00 C ATOM 263 O GLU A 22 4.152 0.174 4.296 1.00 0.00 O ATOM 264 CB GLU A 22 3.115 3.126 2.975 1.00 0.00 C ATOM 265 CG GLU A 22 2.929 4.560 3.473 1.00 0.00 C ATOM 266 CD GLU A 22 3.607 5.559 2.533 1.00 0.00 C ATOM 267 OE1 GLU A 22 2.921 6.005 1.588 1.00 0.00 O ATOM 268 OE2 GLU A 22 4.796 5.853 2.780 1.00 0.00 O ATOM 0 H GLU A 22 5.481 3.585 2.273 1.00 0.00 H new ATOM 0 HA GLU A 22 4.262 2.640 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.235 3.126 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.222 2.541 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.866 4.788 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.346 4.658 4.475 1.00 0.00 H new ATOM 273 N MET A 23 4.593 0.611 2.121 1.00 0.00 N ATOM 274 CA MET A 23 4.638 -0.789 1.734 1.00 0.00 C ATOM 275 C MET A 23 5.496 -1.600 2.709 1.00 0.00 C ATOM 276 O MET A 23 5.216 -2.770 2.961 1.00 0.00 O ATOM 277 CB MET A 23 5.215 -0.909 0.322 1.00 0.00 C ATOM 278 CG MET A 23 4.248 -0.339 -0.716 1.00 0.00 C ATOM 279 SD MET A 23 2.700 -1.226 -0.662 1.00 0.00 S ATOM 280 CE MET A 23 3.005 -2.457 -1.918 1.00 0.00 C ATOM 0 H MET A 23 4.759 1.270 1.360 1.00 0.00 H new ATOM 0 HA MET A 23 3.623 -1.187 1.756 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.166 -0.379 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.420 -1.956 0.097 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.077 0.720 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.685 -0.414 -1.712 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.060 -2.759 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.656 -2.040 -2.686 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.486 -3.325 -1.467 1.00 0.00 H new ATOM 288 N GLU A 24 6.525 -0.944 3.227 1.00 0.00 N ATOM 289 CA GLU A 24 7.425 -1.590 4.167 1.00 0.00 C ATOM 290 C GLU A 24 6.751 -1.736 5.533 1.00 0.00 C ATOM 291 O GLU A 24 6.818 -2.798 6.151 1.00 0.00 O ATOM 292 CB GLU A 24 8.740 -0.816 4.285 1.00 0.00 C ATOM 293 CG GLU A 24 9.870 -1.540 3.549 1.00 0.00 C ATOM 294 CD GLU A 24 10.901 -2.093 4.535 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.812 -1.318 4.898 1.00 0.00 O ATOM 296 OE2 GLU A 24 10.754 -3.278 4.904 1.00 0.00 O ATOM 0 H GLU A 24 6.755 0.027 3.014 1.00 0.00 H new ATOM 0 HA GLU A 24 7.659 -2.586 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.615 0.185 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.003 -0.697 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.458 -2.355 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.356 -0.853 2.856 1.00 0.00 H new ATOM 301 N CYS A 25 6.117 -0.655 5.963 1.00 0.00 N ATOM 302 CA CYS A 25 5.432 -0.650 7.244 1.00 0.00 C ATOM 303 C CYS A 25 4.345 -1.726 7.212 1.00 0.00 C ATOM 304 O CYS A 25 4.217 -2.513 8.149 1.00 0.00 O ATOM 305 CB CYS A 25 4.860 0.730 7.574 1.00 0.00 C ATOM 306 SG CYS A 25 5.270 1.184 9.299 1.00 0.00 S ATOM 0 H CYS A 25 6.063 0.223 5.447 1.00 0.00 H new ATOM 0 HA CYS A 25 6.142 -0.876 8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.265 1.474 6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.779 0.726 7.438 1.00 0.00 H new ATOM 0 HG CYS A 25 4.781 2.358 9.567 1.00 0.00 H new ATOM 311 N LEU A 26 3.590 -1.727 6.123 1.00 0.00 N ATOM 312 CA LEU A 26 2.518 -2.693 5.956 1.00 0.00 C ATOM 313 C LEU A 26 3.069 -4.102 6.181 1.00 0.00 C ATOM 314 O LEU A 26 2.511 -4.875 6.959 1.00 0.00 O ATOM 315 CB LEU A 26 1.837 -2.509 4.599 1.00 0.00 C ATOM 316 CG LEU A 26 0.848 -1.346 4.498 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.628 -0.938 3.040 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.468 -1.683 5.203 1.00 0.00 C ATOM 0 H LEU A 26 3.700 -1.074 5.347 1.00 0.00 H new ATOM 0 HA LEU A 26 1.739 -2.531 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.610 -2.370 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.310 -3.431 4.351 1.00 0.00 H new ATOM 0 HG LEU A 26 1.278 -0.486 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.079 -0.110 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.577 -0.629 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.229 -1.785 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.153 -0.840 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.914 -2.563 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.275 -1.887 6.256 1.00 0.00 H new ATOM 329 N GLN A 27 4.159 -4.396 5.487 1.00 0.00 N ATOM 330 CA GLN A 27 4.791 -5.699 5.601 1.00 0.00 C ATOM 331 C GLN A 27 5.019 -6.051 7.073 1.00 0.00 C ATOM 332 O GLN A 27 4.571 -7.097 7.540 1.00 0.00 O ATOM 333 CB GLN A 27 6.105 -5.741 4.818 1.00 0.00 C ATOM 334 CG GLN A 27 6.070 -6.834 3.747 1.00 0.00 C ATOM 335 CD GLN A 27 6.839 -8.075 4.205 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.683 -8.559 5.314 1.00 0.00 O ATOM 337 NE2 GLN A 27 7.675 -8.561 3.292 1.00 0.00 N ATOM 0 H GLN A 27 4.621 -3.753 4.843 1.00 0.00 H new ATOM 0 HA GLN A 27 4.124 -6.444 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.285 -4.773 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.934 -5.923 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.036 -7.102 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.502 -6.455 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.757 -8.107 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.234 -9.388 3.501 1.00 0.00 H new ATOM 344 N ALA A 28 5.715 -5.158 7.760 1.00 0.00 N ATOM 345 CA ALA A 28 6.007 -5.362 9.170 1.00 0.00 C ATOM 346 C ALA A 28 4.753 -5.881 9.876 1.00 0.00 C ATOM 347 O ALA A 28 4.797 -6.910 10.550 1.00 0.00 O ATOM 348 CB ALA A 28 6.521 -4.056 9.779 1.00 0.00 C ATOM 0 H ALA A 28 6.085 -4.292 7.368 1.00 0.00 H new ATOM 0 HA ALA A 28 6.789 -6.110 9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.740 -4.209 10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.429 -3.746 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.761 -3.282 9.674 1.00 0.00 H new ATOM 354 N MET A 29 3.665 -5.146 9.698 1.00 0.00 N ATOM 355 CA MET A 29 2.401 -5.519 10.311 1.00 0.00 C ATOM 356 C MET A 29 1.993 -6.937 9.905 1.00 0.00 C ATOM 357 O MET A 29 1.382 -7.660 10.691 1.00 0.00 O ATOM 358 CB MET A 29 1.315 -4.532 9.881 1.00 0.00 C ATOM 359 CG MET A 29 1.548 -3.153 10.504 1.00 0.00 C ATOM 360 SD MET A 29 0.040 -2.200 10.460 1.00 0.00 S ATOM 361 CE MET A 29 0.361 -1.179 9.031 1.00 0.00 C ATOM 0 H MET A 29 3.632 -4.294 9.138 1.00 0.00 H new ATOM 0 HA MET A 29 2.521 -5.492 11.394 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.306 -4.447 8.794 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.337 -4.909 10.180 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.888 -3.263 11.534 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.335 -2.629 9.962 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.396 -0.132 9.332 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.317 -1.461 8.589 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.433 -1.319 8.298 1.00 0.00 H new ATOM 369 N GLY A 30 2.348 -7.292 8.679 1.00 0.00 N ATOM 370 CA GLY A 30 2.025 -8.610 8.159 1.00 0.00 C ATOM 371 C GLY A 30 1.383 -8.512 6.774 1.00 0.00 C ATOM 372 O GLY A 30 1.231 -9.518 6.084 1.00 0.00 O ATOM 0 H GLY A 30 2.856 -6.690 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.931 -9.214 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.346 -9.118 8.843 1.00 0.00 H new ATOM 376 N PHE A 31 1.021 -7.291 6.411 1.00 0.00 N ATOM 377 CA PHE A 31 0.399 -7.047 5.120 1.00 0.00 C ATOM 378 C PHE A 31 1.403 -7.236 3.982 1.00 0.00 C ATOM 379 O PHE A 31 1.867 -6.261 3.392 1.00 0.00 O ATOM 380 CB PHE A 31 -0.086 -5.597 5.124 1.00 0.00 C ATOM 381 CG PHE A 31 -1.342 -5.361 5.965 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.542 -5.844 5.544 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.259 -4.668 7.132 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.708 -5.626 6.324 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.426 -4.450 7.912 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.625 -4.932 7.492 1.00 0.00 C ATOM 0 H PHE A 31 1.146 -6.459 6.988 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.420 -7.749 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.714 -4.959 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.286 -5.289 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.608 -6.393 4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.306 -4.284 7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.661 -6.011 5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.360 -3.901 8.840 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.512 -4.764 8.085 1.00 0.00 H new ATOM 395 N VAL A 32 1.709 -8.495 3.707 1.00 0.00 N ATOM 396 CA VAL A 32 2.650 -8.823 2.651 1.00 0.00 C ATOM 397 C VAL A 32 2.033 -8.468 1.297 1.00 0.00 C ATOM 398 O VAL A 32 2.733 -8.014 0.391 1.00 0.00 O ATOM 399 CB VAL A 32 3.062 -10.293 2.754 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.625 -10.608 4.140 1.00 0.00 C ATOM 401 CG2 VAL A 32 1.888 -11.215 2.415 1.00 0.00 C ATOM 0 H VAL A 32 1.321 -9.301 4.198 1.00 0.00 H new ATOM 0 HA VAL A 32 3.563 -8.236 2.757 1.00 0.00 H new ATOM 0 HB VAL A 32 3.851 -10.473 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.910 -11.659 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.500 -9.986 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.867 -10.404 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.207 -12.254 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.069 -11.032 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.551 -11.016 1.397 1.00 0.00 H new ATOM 411 N ASN A 33 0.731 -8.688 1.199 1.00 0.00 N ATOM 412 CA ASN A 33 0.011 -8.397 -0.029 1.00 0.00 C ATOM 413 C ASN A 33 0.497 -7.062 -0.596 1.00 0.00 C ATOM 414 O ASN A 33 0.047 -6.001 -0.168 1.00 0.00 O ATOM 415 CB ASN A 33 -1.493 -8.283 0.227 1.00 0.00 C ATOM 416 CG ASN A 33 -2.269 -9.313 -0.597 1.00 0.00 C ATOM 417 OD1 ASN A 33 -2.330 -9.254 -1.814 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.856 -10.257 0.132 1.00 0.00 N ATOM 0 H ASN A 33 0.155 -9.065 1.951 1.00 0.00 H new ATOM 0 HA ASN A 33 0.196 -9.212 -0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.697 -8.432 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.833 -7.279 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.398 -10.991 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.765 -10.247 1.148 1.00 0.00 H new ATOM 424 N TYR A 34 1.412 -7.158 -1.550 1.00 0.00 N ATOM 425 CA TYR A 34 1.963 -5.971 -2.180 1.00 0.00 C ATOM 426 C TYR A 34 0.982 -5.381 -3.194 1.00 0.00 C ATOM 427 O TYR A 34 0.505 -4.259 -3.021 1.00 0.00 O ATOM 428 CB TYR A 34 3.223 -6.431 -2.916 1.00 0.00 C ATOM 429 CG TYR A 34 4.026 -5.292 -3.549 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.870 -4.527 -2.770 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.904 -5.029 -4.898 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.625 -3.456 -3.365 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.660 -3.957 -5.494 1.00 0.00 C ATOM 434 CZ TYR A 34 5.483 -3.224 -4.697 1.00 0.00 C ATOM 435 OH TYR A 34 6.196 -2.211 -5.259 1.00 0.00 O ATOM 0 H TYR A 34 1.785 -8.040 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 34 2.170 -5.203 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.864 -6.968 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.938 -7.138 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.964 -4.732 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.242 -5.627 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.289 -2.850 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.575 -3.741 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 34 6.299 -2.377 -6.219 1.00 0.00 H new ATOM 444 N ASN A 35 0.708 -6.161 -4.228 1.00 0.00 N ATOM 445 CA ASN A 35 -0.209 -5.729 -5.270 1.00 0.00 C ATOM 446 C ASN A 35 -1.425 -5.060 -4.627 1.00 0.00 C ATOM 447 O ASN A 35 -1.861 -3.999 -5.072 1.00 0.00 O ATOM 448 CB ASN A 35 -0.705 -6.918 -6.095 1.00 0.00 C ATOM 449 CG ASN A 35 0.328 -7.324 -7.148 1.00 0.00 C ATOM 450 OD1 ASN A 35 0.677 -6.565 -8.038 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.796 -8.559 -7.000 1.00 0.00 N ATOM 0 H ASN A 35 1.105 -7.090 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 35 0.323 -5.035 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.909 -7.762 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.645 -6.660 -6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.489 -8.923 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.462 -9.143 -6.233 1.00 0.00 H new ATOM 457 N ALA A 36 -1.938 -5.707 -3.591 1.00 0.00 N ATOM 458 CA ALA A 36 -3.096 -5.187 -2.882 1.00 0.00 C ATOM 459 C ALA A 36 -2.732 -3.849 -2.234 1.00 0.00 C ATOM 460 O ALA A 36 -3.319 -2.819 -2.559 1.00 0.00 O ATOM 461 CB ALA A 36 -3.574 -6.220 -1.860 1.00 0.00 C ATOM 0 H ALA A 36 -1.573 -6.587 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.920 -5.006 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.442 -5.831 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.847 -7.142 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.774 -6.425 -1.148 1.00 0.00 H new ATOM 467 N ASN A 37 -1.767 -3.909 -1.328 1.00 0.00 N ATOM 468 CA ASN A 37 -1.319 -2.715 -0.631 1.00 0.00 C ATOM 469 C ASN A 37 -1.122 -1.584 -1.642 1.00 0.00 C ATOM 470 O ASN A 37 -1.703 -0.509 -1.496 1.00 0.00 O ATOM 471 CB ASN A 37 0.016 -2.957 0.073 1.00 0.00 C ATOM 472 CG ASN A 37 -0.165 -3.857 1.298 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.231 -3.944 1.884 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.933 -4.520 1.649 1.00 0.00 N ATOM 0 H ASN A 37 -1.283 -4.766 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.075 -2.453 0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.719 -3.418 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.448 -2.004 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.915 -5.147 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.793 -4.401 1.114 1.00 0.00 H new ATOM 480 N LEU A 38 -0.301 -1.864 -2.643 1.00 0.00 N ATOM 481 CA LEU A 38 -0.020 -0.883 -3.678 1.00 0.00 C ATOM 482 C LEU A 38 -1.329 -0.223 -4.118 1.00 0.00 C ATOM 483 O LEU A 38 -1.491 0.989 -3.989 1.00 0.00 O ATOM 484 CB LEU A 38 0.761 -1.525 -4.826 1.00 0.00 C ATOM 485 CG LEU A 38 2.009 -0.771 -5.291 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.661 -1.475 -6.483 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.684 0.692 -5.597 1.00 0.00 C ATOM 0 H LEU A 38 0.179 -2.756 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 38 0.621 -0.092 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.059 -2.528 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.090 -1.638 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 38 2.734 -0.776 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.546 -0.919 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.950 -2.486 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.952 -1.522 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.588 1.205 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.933 0.741 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.299 1.175 -4.699 1.00 0.00 H new ATOM 498 N GLN A 39 -2.229 -1.051 -4.628 1.00 0.00 N ATOM 499 CA GLN A 39 -3.519 -0.562 -5.088 1.00 0.00 C ATOM 500 C GLN A 39 -4.211 0.232 -3.978 1.00 0.00 C ATOM 501 O GLN A 39 -4.564 1.395 -4.170 1.00 0.00 O ATOM 502 CB GLN A 39 -4.401 -1.715 -5.570 1.00 0.00 C ATOM 503 CG GLN A 39 -4.321 -1.868 -7.090 1.00 0.00 C ATOM 504 CD GLN A 39 -5.684 -1.611 -7.739 1.00 0.00 C ATOM 505 OE1 GLN A 39 -6.057 -0.488 -8.036 1.00 0.00 O ATOM 506 NE2 GLN A 39 -6.402 -2.712 -7.941 1.00 0.00 N ATOM 0 H GLN A 39 -2.091 -2.056 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.354 0.104 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.088 -2.642 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.434 -1.536 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.586 -1.171 -7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.978 -2.872 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.029 -3.621 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.326 -2.647 -8.369 1.00 0.00 H new ATOM 513 N ALA A 40 -4.387 -0.428 -2.843 1.00 0.00 N ATOM 514 CA ALA A 40 -5.031 0.202 -1.703 1.00 0.00 C ATOM 515 C ALA A 40 -4.457 1.607 -1.511 1.00 0.00 C ATOM 516 O ALA A 40 -5.204 2.583 -1.440 1.00 0.00 O ATOM 517 CB ALA A 40 -4.848 -0.677 -0.463 1.00 0.00 C ATOM 0 H ALA A 40 -4.095 -1.393 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.102 0.304 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.331 -0.205 0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.298 -1.654 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.785 -0.799 -0.257 1.00 0.00 H new ATOM 523 N LEU A 41 -3.136 1.667 -1.431 1.00 0.00 N ATOM 524 CA LEU A 41 -2.454 2.936 -1.248 1.00 0.00 C ATOM 525 C LEU A 41 -2.957 3.936 -2.292 1.00 0.00 C ATOM 526 O LEU A 41 -3.539 4.963 -1.944 1.00 0.00 O ATOM 527 CB LEU A 41 -0.937 2.738 -1.269 1.00 0.00 C ATOM 528 CG LEU A 41 -0.318 2.173 0.012 1.00 0.00 C ATOM 529 CD1 LEU A 41 0.993 1.442 -0.290 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.134 3.270 1.062 1.00 0.00 C ATOM 0 H LEU A 41 -2.520 0.856 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.685 3.353 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.689 2.071 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.468 3.698 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.007 1.440 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.413 1.050 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.800 0.619 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.700 2.136 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.307 2.842 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.524 4.044 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.103 3.707 1.305 1.00 0.00 H new ATOM 541 N ILE A 42 -2.716 3.600 -3.550 1.00 0.00 N ATOM 542 CA ILE A 42 -3.138 4.455 -4.647 1.00 0.00 C ATOM 543 C ILE A 42 -4.613 4.818 -4.467 1.00 0.00 C ATOM 544 O ILE A 42 -5.000 5.970 -4.657 1.00 0.00 O ATOM 545 CB ILE A 42 -2.826 3.795 -5.992 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.315 3.700 -6.219 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.532 4.523 -7.137 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.986 2.654 -7.287 1.00 0.00 C ATOM 0 H ILE A 42 -2.234 2.747 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.577 5.389 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.214 2.776 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.928 4.672 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.819 3.439 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.293 4.034 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.610 4.495 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.197 5.560 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.094 2.606 -7.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.353 1.679 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.464 2.931 -8.227 1.00 0.00 H new ATOM 559 N ALA A 43 -5.397 3.812 -4.105 1.00 0.00 N ATOM 560 CA ALA A 43 -6.820 4.011 -3.898 1.00 0.00 C ATOM 561 C ALA A 43 -7.032 5.011 -2.759 1.00 0.00 C ATOM 562 O ALA A 43 -8.063 5.679 -2.698 1.00 0.00 O ATOM 563 CB ALA A 43 -7.489 2.663 -3.621 1.00 0.00 C ATOM 0 H ALA A 43 -5.073 2.857 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.282 4.428 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.557 2.812 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.335 1.999 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.051 2.216 -2.728 1.00 0.00 H new ATOM 569 N THR A 44 -6.039 5.083 -1.886 1.00 0.00 N ATOM 570 CA THR A 44 -6.102 5.990 -0.753 1.00 0.00 C ATOM 571 C THR A 44 -5.117 7.146 -0.939 1.00 0.00 C ATOM 572 O THR A 44 -4.812 7.866 0.011 1.00 0.00 O ATOM 573 CB THR A 44 -5.852 5.177 0.519 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.551 4.628 0.330 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.763 3.952 0.619 1.00 0.00 C ATOM 0 H THR A 44 -5.185 4.528 -1.940 1.00 0.00 H new ATOM 0 HA THR A 44 -7.086 6.453 -0.672 1.00 0.00 H new ATOM 0 HB THR A 44 -6.002 5.813 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.102 5.097 -0.404 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.545 3.410 1.539 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.805 4.273 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.590 3.299 -0.236 1.00 0.00 H new ATOM 583 N ASP A 45 -4.646 7.288 -2.170 1.00 0.00 N ATOM 584 CA ASP A 45 -3.701 8.344 -2.493 1.00 0.00 C ATOM 585 C ASP A 45 -2.578 8.351 -1.455 1.00 0.00 C ATOM 586 O ASP A 45 -2.103 9.414 -1.057 1.00 0.00 O ATOM 587 CB ASP A 45 -4.378 9.715 -2.466 1.00 0.00 C ATOM 588 CG ASP A 45 -3.471 10.892 -2.830 1.00 0.00 C ATOM 589 OD1 ASP A 45 -2.706 10.738 -3.807 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.561 11.918 -2.123 1.00 0.00 O ATOM 0 H ASP A 45 -4.901 6.689 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.311 8.154 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.222 9.700 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.784 9.883 -1.468 1.00 0.00 H new ATOM 594 N GLY A 46 -2.185 7.154 -1.046 1.00 0.00 N ATOM 595 CA GLY A 46 -1.125 7.010 -0.061 1.00 0.00 C ATOM 596 C GLY A 46 -1.660 7.231 1.356 1.00 0.00 C ATOM 597 O GLY A 46 -1.690 8.360 1.842 1.00 0.00 O ATOM 0 H GLY A 46 -2.581 6.275 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.686 6.015 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.330 7.726 -0.269 1.00 0.00 H new ATOM 601 N ASP A 47 -2.067 6.134 1.977 1.00 0.00 N ATOM 602 CA ASP A 47 -2.599 6.193 3.328 1.00 0.00 C ATOM 603 C ASP A 47 -2.585 4.791 3.939 1.00 0.00 C ATOM 604 O ASP A 47 -3.212 3.873 3.411 1.00 0.00 O ATOM 605 CB ASP A 47 -4.045 6.695 3.331 1.00 0.00 C ATOM 606 CG ASP A 47 -4.469 7.439 4.599 1.00 0.00 C ATOM 607 OD1 ASP A 47 -3.585 7.649 5.456 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.670 7.777 4.683 1.00 0.00 O ATOM 0 H ASP A 47 -2.039 5.199 1.570 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.978 6.879 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.186 7.356 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.710 5.843 3.188 1.00 0.00 H new ATOM 612 N THR A 48 -1.864 4.669 5.044 1.00 0.00 N ATOM 613 CA THR A 48 -1.760 3.393 5.732 1.00 0.00 C ATOM 614 C THR A 48 -3.078 3.056 6.432 1.00 0.00 C ATOM 615 O THR A 48 -3.596 1.950 6.288 1.00 0.00 O ATOM 616 CB THR A 48 -0.567 3.467 6.687 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.625 4.790 7.214 1.00 0.00 O ATOM 618 CG2 THR A 48 0.775 3.418 5.953 1.00 0.00 C ATOM 0 H THR A 48 -1.346 5.432 5.480 1.00 0.00 H new ATOM 0 HA THR A 48 -1.583 2.578 5.030 1.00 0.00 H new ATOM 0 HB THR A 48 -0.622 2.644 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.113 4.923 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.588 3.474 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.850 2.485 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.844 4.260 5.264 1.00 0.00 H new ATOM 626 N ASN A 49 -3.583 4.031 7.175 1.00 0.00 N ATOM 627 CA ASN A 49 -4.830 3.851 7.898 1.00 0.00 C ATOM 628 C ASN A 49 -5.914 3.378 6.926 1.00 0.00 C ATOM 629 O ASN A 49 -6.493 2.308 7.109 1.00 0.00 O ATOM 630 CB ASN A 49 -5.298 5.166 8.524 1.00 0.00 C ATOM 631 CG ASN A 49 -4.985 5.202 10.022 1.00 0.00 C ATOM 632 OD1 ASN A 49 -5.540 4.460 10.816 1.00 0.00 O ATOM 633 ND2 ASN A 49 -4.068 6.104 10.360 1.00 0.00 N ATOM 0 H ASN A 49 -3.151 4.948 7.291 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.661 3.117 8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.810 6.004 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.370 5.285 8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.789 6.207 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.644 6.693 9.643 1.00 0.00 H new ATOM 639 N ALA A 50 -6.155 4.199 5.914 1.00 0.00 N ATOM 640 CA ALA A 50 -7.159 3.878 4.914 1.00 0.00 C ATOM 641 C ALA A 50 -6.863 2.497 4.325 1.00 0.00 C ATOM 642 O ALA A 50 -7.765 1.675 4.179 1.00 0.00 O ATOM 643 CB ALA A 50 -7.184 4.974 3.847 1.00 0.00 C ATOM 0 H ALA A 50 -5.673 5.085 5.765 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.151 3.838 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.937 4.734 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.427 5.929 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.206 5.041 3.371 1.00 0.00 H new ATOM 649 N ALA A 51 -5.596 2.286 4.003 1.00 0.00 N ATOM 650 CA ALA A 51 -5.169 1.019 3.434 1.00 0.00 C ATOM 651 C ALA A 51 -5.529 -0.114 4.396 1.00 0.00 C ATOM 652 O ALA A 51 -6.283 -1.020 4.040 1.00 0.00 O ATOM 653 CB ALA A 51 -3.670 1.074 3.132 1.00 0.00 C ATOM 0 H ALA A 51 -4.850 2.971 4.125 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.684 0.828 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.350 0.124 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.471 1.876 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.120 1.261 4.054 1.00 0.00 H new ATOM 659 N ILE A 52 -4.974 -0.029 5.595 1.00 0.00 N ATOM 660 CA ILE A 52 -5.227 -1.037 6.611 1.00 0.00 C ATOM 661 C ILE A 52 -6.735 -1.276 6.720 1.00 0.00 C ATOM 662 O ILE A 52 -7.189 -2.419 6.687 1.00 0.00 O ATOM 663 CB ILE A 52 -4.571 -0.640 7.935 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.052 -0.539 7.785 1.00 0.00 C ATOM 665 CG2 ILE A 52 -4.974 -1.599 9.056 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.468 0.472 8.774 1.00 0.00 C ATOM 0 H ILE A 52 -4.349 0.723 5.887 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.772 -1.986 6.328 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.934 0.350 8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.601 -1.517 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.803 -0.242 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.494 -1.294 9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.056 -1.577 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.659 -2.611 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.387 0.524 8.646 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.903 1.454 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.698 0.159 9.793 1.00 0.00 H new ATOM 677 N TYR A 53 -7.468 -0.182 6.847 1.00 0.00 N ATOM 678 CA TYR A 53 -8.915 -0.258 6.961 1.00 0.00 C ATOM 679 C TYR A 53 -9.522 -0.987 5.761 1.00 0.00 C ATOM 680 O TYR A 53 -10.267 -1.952 5.927 1.00 0.00 O ATOM 681 CB TYR A 53 -9.415 1.188 6.970 1.00 0.00 C ATOM 682 CG TYR A 53 -10.714 1.392 7.754 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.756 0.501 7.607 1.00 0.00 C ATOM 684 CD2 TYR A 53 -10.841 2.469 8.607 1.00 0.00 C ATOM 685 CE1 TYR A 53 -12.978 0.693 8.345 1.00 0.00 C ATOM 686 CE2 TYR A 53 -12.063 2.662 9.346 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.071 1.765 9.178 1.00 0.00 C ATOM 688 OH TYR A 53 -14.225 1.947 9.874 1.00 0.00 O ATOM 0 H TYR A 53 -7.088 0.764 6.874 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.200 -0.804 7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.641 1.827 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.568 1.515 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.656 -0.341 6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.025 3.167 8.721 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.801 0.002 8.240 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -12.176 3.500 10.018 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.149 2.751 10.429 1.00 0.00 H new ATOM 697 N LYS A 54 -9.179 -0.500 4.578 1.00 0.00 N ATOM 698 CA LYS A 54 -9.680 -1.093 3.349 1.00 0.00 C ATOM 699 C LYS A 54 -9.291 -2.572 3.307 1.00 0.00 C ATOM 700 O LYS A 54 -10.147 -3.437 3.128 1.00 0.00 O ATOM 701 CB LYS A 54 -9.200 -0.296 2.135 1.00 0.00 C ATOM 702 CG LYS A 54 -10.095 0.920 1.888 1.00 0.00 C ATOM 703 CD LYS A 54 -9.266 2.134 1.464 1.00 0.00 C ATOM 704 CE LYS A 54 -10.148 3.198 0.807 1.00 0.00 C ATOM 705 NZ LYS A 54 -10.777 4.056 1.836 1.00 0.00 N ATOM 0 H LYS A 54 -8.560 0.299 4.444 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.769 -1.048 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.172 0.031 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.199 -0.936 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.826 0.686 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.653 1.155 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.765 2.558 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.487 1.822 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.549 3.809 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.919 2.718 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.372 4.773 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.364 3.471 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.037 4.528 2.394 1.00 0.00 H new ATOM 715 N LEU A 55 -8.000 -2.817 3.474 1.00 0.00 N ATOM 716 CA LEU A 55 -7.488 -4.177 3.457 1.00 0.00 C ATOM 717 C LEU A 55 -8.306 -5.037 4.422 1.00 0.00 C ATOM 718 O LEU A 55 -8.945 -6.003 4.010 1.00 0.00 O ATOM 719 CB LEU A 55 -5.985 -4.186 3.747 1.00 0.00 C ATOM 720 CG LEU A 55 -5.099 -3.481 2.718 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.733 -3.138 3.313 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.975 -4.313 1.440 1.00 0.00 C ATOM 0 H LEU A 55 -7.293 -2.097 3.622 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.601 -4.615 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.820 -3.721 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.657 -5.222 3.830 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.576 -2.540 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.124 -2.638 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.865 -2.478 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.235 -4.053 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.340 -3.789 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.533 -5.281 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.964 -4.463 1.006 1.00 0.00 H new ATOM 733 N LYS A 56 -8.259 -4.655 5.690 1.00 0.00 N ATOM 734 CA LYS A 56 -8.987 -5.379 6.718 1.00 0.00 C ATOM 735 C LYS A 56 -10.395 -5.697 6.210 1.00 0.00 C ATOM 736 O LYS A 56 -10.764 -6.863 6.082 1.00 0.00 O ATOM 737 CB LYS A 56 -8.969 -4.603 8.036 1.00 0.00 C ATOM 738 CG LYS A 56 -7.599 -4.698 8.710 1.00 0.00 C ATOM 739 CD LYS A 56 -7.699 -5.409 10.061 1.00 0.00 C ATOM 740 CE LYS A 56 -7.776 -4.399 11.208 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.175 -3.966 11.425 1.00 0.00 N ATOM 0 H LYS A 56 -7.728 -3.853 6.029 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.501 -6.331 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.215 -3.558 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.735 -4.997 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.908 -5.237 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.189 -3.698 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.582 -6.048 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.834 -6.057 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.382 -4.846 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.152 -3.534 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.209 -3.281 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.539 -3.521 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.761 -4.792 11.663 1.00 0.00 H new ATOM 751 N SER A 57 -11.144 -4.639 5.936 1.00 0.00 N ATOM 752 CA SER A 57 -12.503 -4.790 5.445 1.00 0.00 C ATOM 753 C SER A 57 -12.568 -5.929 4.425 1.00 0.00 C ATOM 754 O SER A 57 -13.304 -6.896 4.615 1.00 0.00 O ATOM 755 CB SER A 57 -13.012 -3.489 4.821 1.00 0.00 C ATOM 756 OG SER A 57 -13.920 -2.804 5.678 1.00 0.00 O ATOM 0 H SER A 57 -10.835 -3.673 6.045 1.00 0.00 H new ATOM 0 HA SER A 57 -13.147 -5.031 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.166 -2.840 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.504 -3.710 3.874 1.00 0.00 H new ATOM 0 HG SER A 57 -14.220 -1.978 5.244 1.00 0.00 H new ATOM 761 N SER A 58 -11.787 -5.777 3.366 1.00 0.00 N ATOM 762 CA SER A 58 -11.746 -6.781 2.316 1.00 0.00 C ATOM 763 C SER A 58 -11.669 -8.179 2.932 1.00 0.00 C ATOM 764 O SER A 58 -12.558 -9.003 2.720 1.00 0.00 O ATOM 765 CB SER A 58 -10.560 -6.548 1.377 1.00 0.00 C ATOM 766 OG SER A 58 -10.940 -5.840 0.202 1.00 0.00 O ATOM 0 H SER A 58 -11.177 -4.974 3.212 1.00 0.00 H new ATOM 0 HA SER A 58 -12.661 -6.700 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.786 -5.989 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.125 -7.508 1.097 1.00 0.00 H new ATOM 0 HG SER A 58 -10.155 -5.710 -0.370 1.00 0.00 H new ATOM 771 N GLN A 59 -10.600 -8.403 3.682 1.00 0.00 N ATOM 772 CA GLN A 59 -10.397 -9.688 4.329 1.00 0.00 C ATOM 773 C GLN A 59 -9.633 -9.505 5.643 1.00 0.00 C ATOM 774 O GLN A 59 -8.856 -8.562 5.788 1.00 0.00 O ATOM 775 CB GLN A 59 -9.665 -10.660 3.401 1.00 0.00 C ATOM 776 CG GLN A 59 -8.237 -10.186 3.126 1.00 0.00 C ATOM 777 CD GLN A 59 -8.224 -9.050 2.101 1.00 0.00 C ATOM 778 OE1 GLN A 59 -8.697 -9.180 0.986 1.00 0.00 O ATOM 779 NE2 GLN A 59 -7.656 -7.931 2.542 1.00 0.00 N ATOM 0 H GLN A 59 -9.866 -7.717 3.856 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.373 -10.118 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.642 -11.652 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.209 -10.750 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.777 -9.848 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.638 -11.019 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.279 -7.889 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.598 -7.115 1.933 1.00 0.00 H new ATOM 786 N GLY A 60 -9.881 -10.421 6.567 1.00 0.00 N ATOM 787 CA GLY A 60 -9.227 -10.373 7.864 1.00 0.00 C ATOM 788 C GLY A 60 -10.028 -11.149 8.911 1.00 0.00 C ATOM 789 O GLY A 60 -10.861 -10.576 9.611 1.00 0.00 O ATOM 0 H GLY A 60 -10.526 -11.201 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.224 -10.791 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.116 -9.336 8.181 1.00 0.00 H new ATOM 793 N PHE A 61 -9.746 -12.442 8.985 1.00 0.00 N ATOM 794 CA PHE A 61 -10.430 -13.303 9.935 1.00 0.00 C ATOM 795 C PHE A 61 -10.097 -12.904 11.374 1.00 0.00 C ATOM 796 O PHE A 61 -8.928 -12.753 11.726 1.00 0.00 O ATOM 797 CB PHE A 61 -9.933 -14.728 9.685 1.00 0.00 C ATOM 798 CG PHE A 61 -10.483 -15.761 10.671 1.00 0.00 C ATOM 799 CD1 PHE A 61 -11.794 -16.121 10.617 1.00 0.00 C ATOM 800 CD2 PHE A 61 -9.661 -16.320 11.599 1.00 0.00 C ATOM 801 CE1 PHE A 61 -12.305 -17.079 11.533 1.00 0.00 C ATOM 802 CE2 PHE A 61 -10.173 -17.279 12.513 1.00 0.00 C ATOM 803 CZ PHE A 61 -11.483 -17.638 12.461 1.00 0.00 C ATOM 0 H PHE A 61 -9.054 -12.914 8.403 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.509 -13.220 9.804 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.207 -15.025 8.673 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.844 -14.736 9.736 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -12.446 -15.679 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.620 -16.035 11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -13.346 -17.363 11.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.521 -17.723 13.250 1.00 0.00 H new ATOM 0 HZ PHE A 61 -11.871 -18.367 13.157 1.00 0.00 H new ATOM 812 N SER A 62 -11.146 -12.746 12.168 1.00 0.00 N ATOM 813 CA SER A 62 -10.980 -12.369 13.562 1.00 0.00 C ATOM 814 C SER A 62 -10.338 -10.982 13.654 1.00 0.00 C ATOM 815 O SER A 62 -9.208 -10.787 13.213 1.00 0.00 O ATOM 816 CB SER A 62 -10.133 -13.397 14.314 1.00 0.00 C ATOM 817 OG SER A 62 -10.512 -13.501 15.684 1.00 0.00 O ATOM 0 H SER A 62 -12.114 -12.872 11.873 1.00 0.00 H new ATOM 0 HA SER A 62 -11.965 -12.340 14.029 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.235 -14.371 13.835 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.081 -13.118 14.249 1.00 0.00 H new ATOM 0 HG SER A 62 -9.949 -14.168 16.129 1.00 0.00 H new ATOM 822 N GLY A 63 -11.089 -10.056 14.232 1.00 0.00 N ATOM 823 CA GLY A 63 -10.608 -8.694 14.389 1.00 0.00 C ATOM 824 C GLY A 63 -11.626 -7.836 15.143 1.00 0.00 C ATOM 825 O GLY A 63 -12.332 -7.029 14.540 1.00 0.00 O ATOM 0 H GLY A 63 -12.027 -10.222 14.597 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.661 -8.699 14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.414 -8.258 13.409 1.00 0.00 H new ATOM 829 N PRO A 64 -11.672 -8.046 16.486 1.00 0.00 N ATOM 830 CA PRO A 64 -12.593 -7.301 17.329 1.00 0.00 C ATOM 831 C PRO A 64 -12.107 -5.865 17.534 1.00 0.00 C ATOM 832 O PRO A 64 -10.925 -5.634 17.782 1.00 0.00 O ATOM 833 CB PRO A 64 -12.669 -8.093 18.623 1.00 0.00 C ATOM 834 CG PRO A 64 -11.443 -8.991 18.636 1.00 0.00 C ATOM 835 CD PRO A 64 -10.852 -8.993 17.235 1.00 0.00 C ATOM 0 HA PRO A 64 -13.582 -7.197 16.883 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.676 -7.429 19.487 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.585 -8.682 18.667 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.712 -8.628 19.358 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.714 -10.003 18.937 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.805 -8.688 17.246 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.890 -9.988 16.791 1.00 0.00 H new ATOM 840 N SER A 65 -13.046 -4.935 17.423 1.00 0.00 N ATOM 841 CA SER A 65 -12.729 -3.527 17.594 1.00 0.00 C ATOM 842 C SER A 65 -14.012 -2.694 17.557 1.00 0.00 C ATOM 843 O SER A 65 -14.654 -2.584 16.515 1.00 0.00 O ATOM 844 CB SER A 65 -11.753 -3.048 16.517 1.00 0.00 C ATOM 845 OG SER A 65 -12.215 -3.355 15.204 1.00 0.00 O ATOM 0 H SER A 65 -14.026 -5.130 17.217 1.00 0.00 H new ATOM 0 HA SER A 65 -12.249 -3.399 18.564 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.611 -1.971 16.609 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.780 -3.512 16.677 1.00 0.00 H new ATOM 0 HG SER A 65 -13.184 -3.215 15.157 1.00 0.00 H new ATOM 850 N SER A 66 -14.346 -2.130 18.708 1.00 0.00 N ATOM 851 CA SER A 66 -15.540 -1.310 18.820 1.00 0.00 C ATOM 852 C SER A 66 -15.230 0.127 18.398 1.00 0.00 C ATOM 853 O SER A 66 -14.184 0.670 18.750 1.00 0.00 O ATOM 854 CB SER A 66 -16.094 -1.336 20.247 1.00 0.00 C ATOM 855 OG SER A 66 -17.511 -1.478 20.267 1.00 0.00 O ATOM 0 H SER A 66 -13.811 -2.225 19.571 1.00 0.00 H new ATOM 0 HA SER A 66 -16.300 -1.721 18.156 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.639 -2.160 20.797 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.815 -0.416 20.761 1.00 0.00 H new ATOM 0 HG SER A 66 -17.825 -1.492 21.195 1.00 0.00 H new ATOM 860 N GLY A 67 -16.158 0.704 17.648 1.00 0.00 N ATOM 861 CA GLY A 67 -15.998 2.067 17.173 1.00 0.00 C ATOM 862 C GLY A 67 -16.763 3.051 18.061 1.00 0.00 C ATOM 863 O GLY A 67 -16.476 3.172 19.251 1.00 0.00 O ATOM 0 H GLY A 67 -17.024 0.251 17.358 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.940 2.330 17.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -16.357 2.143 16.147 1.00 0.00 H new TER 867 GLY A 67