USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 757 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0763 (180deg=-0.297) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 141:sc= -0.212 (180deg=-0.836) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.322 F(o=-1.2,f=-0.32) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -115:sc= 0.639 (180deg=0.556) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 23 ASN : amide:sc= -0.22 K(o=-0.22,f=-3.1!) USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=0.0036) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.09 F(o=-2,f=-1.1) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.109 F(o=-0.96,f=-0.11) USER MOD Single : A 58 CYS SG : rot 82:sc= 0.66 USER MOD Single : A 61 SER OG : rot 67:sc= 1.17 USER MOD Single : A 63 MET CE :methyl 151:sc= 0 (180deg=-0.554) USER MOD Single : A 73 THR OG1 : rot 81:sc= 0.119 USER MOD Single : A 79 SER OG : rot -84:sc= 0.545 USER MOD Single : A 81 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.88) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 65:sc= 0.353 USER MOD Single : A 86 MET CE :methyl -144:sc= -0.184 (180deg=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.131 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.629 23.786 8.803 1.00 0.00 N ATOM 2 CA MET A 1 0.071 22.486 8.938 1.00 0.00 C ATOM 3 C MET A 1 0.371 22.171 10.402 1.00 0.00 C ATOM 4 O MET A 1 0.716 21.040 10.739 1.00 0.00 O ATOM 5 CB MET A 1 1.376 22.495 8.135 1.00 0.00 C ATOM 6 CG MET A 1 1.174 22.638 6.634 1.00 0.00 C ATOM 7 SD MET A 1 2.730 22.677 5.719 1.00 0.00 S ATOM 8 CE MET A 1 2.127 22.848 4.039 1.00 0.00 C ATOM 0 H1 MET A 1 -0.999 23.882 7.836 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.416 23.828 9.481 1.00 0.00 H new ATOM 0 H3 MET A 1 0.037 24.561 8.997 1.00 0.00 H new ATOM 0 HA MET A 1 -0.588 21.712 8.545 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.002 23.314 8.487 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.919 21.571 8.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.566 21.808 6.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.616 23.553 6.433 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.972 22.887 3.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.496 21.995 3.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.547 23.767 3.953 1.00 0.00 H new ATOM 20 N GLU A 2 0.227 23.165 11.273 1.00 0.00 N ATOM 21 CA GLU A 2 0.530 22.988 12.689 1.00 0.00 C ATOM 22 C GLU A 2 -0.709 22.518 13.439 1.00 0.00 C ATOM 23 O GLU A 2 -0.669 21.530 14.170 1.00 0.00 O ATOM 24 CB GLU A 2 1.046 24.292 13.314 1.00 0.00 C ATOM 25 CG GLU A 2 2.406 24.747 12.797 1.00 0.00 C ATOM 26 CD GLU A 2 2.399 25.086 11.320 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.730 26.068 10.934 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.034 24.351 10.536 1.00 0.00 O ATOM 0 H GLU A 2 -0.097 24.100 11.024 1.00 0.00 H new ATOM 0 HA GLU A 2 1.312 22.233 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.318 25.082 13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.107 24.163 14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.729 25.621 13.362 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.139 23.961 12.980 1.00 0.00 H new ATOM 35 N VAL A 3 -1.808 23.231 13.245 1.00 0.00 N ATOM 36 CA VAL A 3 -3.059 22.896 13.907 1.00 0.00 C ATOM 37 C VAL A 3 -3.802 21.822 13.122 1.00 0.00 C ATOM 38 O VAL A 3 -4.063 21.980 11.929 1.00 0.00 O ATOM 39 CB VAL A 3 -3.968 24.134 14.070 1.00 0.00 C ATOM 40 CG1 VAL A 3 -5.250 23.772 14.809 1.00 0.00 C ATOM 41 CG2 VAL A 3 -3.227 25.248 14.795 1.00 0.00 C ATOM 0 H VAL A 3 -1.859 24.046 12.634 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.811 22.521 14.900 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.240 24.491 13.076 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.874 24.660 14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.791 23.011 14.247 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.003 23.386 15.798 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.883 26.112 14.901 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.923 24.900 15.782 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.344 25.531 14.222 1.00 0.00 H new ATOM 51 N GLN A 4 -4.124 20.731 13.789 1.00 0.00 N ATOM 52 CA GLN A 4 -4.829 19.634 13.145 1.00 0.00 C ATOM 53 C GLN A 4 -6.334 19.799 13.314 1.00 0.00 C ATOM 54 O GLN A 4 -6.797 20.445 14.256 1.00 0.00 O ATOM 55 CB GLN A 4 -4.375 18.292 13.720 1.00 0.00 C ATOM 56 CG GLN A 4 -2.876 18.063 13.608 1.00 0.00 C ATOM 57 CD GLN A 4 -2.461 16.679 14.062 1.00 0.00 C ATOM 58 OE1 GLN A 4 -3.102 16.075 14.920 1.00 0.00 O ATOM 59 NE2 GLN A 4 -1.377 16.172 13.498 1.00 0.00 N ATOM 0 H GLN A 4 -3.910 20.578 14.775 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.593 19.651 12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.666 18.238 14.769 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.898 17.488 13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.566 18.210 12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.353 18.809 14.206 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.874 16.706 12.790 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.045 15.247 13.772 1.00 0.00 H new ATOM 68 N SER A 5 -7.093 19.230 12.391 1.00 0.00 N ATOM 69 CA SER A 5 -8.542 19.308 12.448 1.00 0.00 C ATOM 70 C SER A 5 -9.101 18.256 13.403 1.00 0.00 C ATOM 71 O SER A 5 -8.505 17.193 13.593 1.00 0.00 O ATOM 72 CB SER A 5 -9.125 19.125 11.045 1.00 0.00 C ATOM 73 OG SER A 5 -8.573 20.070 10.139 1.00 0.00 O ATOM 0 H SER A 5 -6.728 18.709 11.593 1.00 0.00 H new ATOM 0 HA SER A 5 -8.828 20.290 12.825 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.921 18.114 10.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.209 19.238 11.080 1.00 0.00 H new ATOM 0 HG SER A 5 -8.959 19.933 9.248 1.00 0.00 H new ATOM 79 N MET A 6 -10.235 18.570 14.017 1.00 0.00 N ATOM 80 CA MET A 6 -10.896 17.653 14.936 1.00 0.00 C ATOM 81 C MET A 6 -11.422 16.439 14.182 1.00 0.00 C ATOM 82 O MET A 6 -11.418 15.323 14.696 1.00 0.00 O ATOM 83 CB MET A 6 -12.043 18.366 15.656 1.00 0.00 C ATOM 84 CG MET A 6 -12.820 17.475 16.611 1.00 0.00 C ATOM 85 SD MET A 6 -14.170 18.349 17.427 1.00 0.00 S ATOM 86 CE MET A 6 -15.150 18.868 16.019 1.00 0.00 C ATOM 0 H MET A 6 -10.719 19.460 13.893 1.00 0.00 H new ATOM 0 HA MET A 6 -10.171 17.316 15.677 1.00 0.00 H new ATOM 0 HB2 MET A 6 -11.640 19.213 16.212 1.00 0.00 H new ATOM 0 HB3 MET A 6 -12.730 18.771 14.913 1.00 0.00 H new ATOM 0 HG2 MET A 6 -13.222 16.623 16.062 1.00 0.00 H new ATOM 0 HG3 MET A 6 -12.141 17.077 17.365 1.00 0.00 H new ATOM 0 HE1 MET A 6 -16.209 18.771 16.257 1.00 0.00 H new ATOM 0 HE2 MET A 6 -14.925 19.908 15.782 1.00 0.00 H new ATOM 0 HE3 MET A 6 -14.913 18.241 15.160 1.00 0.00 H new ATOM 96 N LEU A 7 -11.868 16.669 12.954 1.00 0.00 N ATOM 97 CA LEU A 7 -12.372 15.597 12.108 1.00 0.00 C ATOM 98 C LEU A 7 -11.215 14.850 11.460 1.00 0.00 C ATOM 99 O LEU A 7 -10.514 15.393 10.605 1.00 0.00 O ATOM 100 CB LEU A 7 -13.300 16.159 11.031 1.00 0.00 C ATOM 101 CG LEU A 7 -14.562 16.848 11.553 1.00 0.00 C ATOM 102 CD1 LEU A 7 -15.364 17.430 10.400 1.00 0.00 C ATOM 103 CD2 LEU A 7 -15.409 15.872 12.353 1.00 0.00 C ATOM 0 H LEU A 7 -11.891 17.592 12.521 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.937 14.903 12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.739 16.872 10.427 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.597 15.345 10.369 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.264 17.664 12.212 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.259 17.917 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.756 18.161 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.653 16.631 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.303 16.379 12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.700 15.036 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.833 15.500 13.200 1.00 0.00 H new ATOM 115 N LEU A 8 -11.007 13.615 11.885 1.00 0.00 N ATOM 116 CA LEU A 8 -9.938 12.794 11.342 1.00 0.00 C ATOM 117 C LEU A 8 -10.473 11.894 10.237 1.00 0.00 C ATOM 118 O LEU A 8 -11.544 11.298 10.372 1.00 0.00 O ATOM 119 CB LEU A 8 -9.303 11.945 12.448 1.00 0.00 C ATOM 120 CG LEU A 8 -8.703 12.731 13.617 1.00 0.00 C ATOM 121 CD1 LEU A 8 -8.157 11.782 14.672 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.608 13.670 13.129 1.00 0.00 C ATOM 0 H LEU A 8 -11.566 13.158 12.606 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.176 13.451 10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.059 11.265 12.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.519 11.330 12.006 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.494 13.331 14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.734 12.358 15.495 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.963 11.151 15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.381 11.156 14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.195 14.219 13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.818 13.090 12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.026 14.374 12.410 1.00 0.00 H new ATOM 134 N ASN A 9 -9.733 11.804 9.143 1.00 0.00 N ATOM 135 CA ASN A 9 -10.119 10.947 8.028 1.00 0.00 C ATOM 136 C ASN A 9 -9.466 9.576 8.144 1.00 0.00 C ATOM 137 O ASN A 9 -8.932 9.043 7.169 1.00 0.00 O ATOM 138 CB ASN A 9 -9.761 11.590 6.681 1.00 0.00 C ATOM 139 CG ASN A 9 -8.300 12.002 6.582 1.00 0.00 C ATOM 140 OD1 ASN A 9 -7.468 11.121 6.052 1.00 0.00 O flip ATOM 141 ND2 ASN A 9 -7.925 13.104 6.977 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.861 12.313 9.001 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.201 10.823 8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.989 10.888 5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.390 12.466 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.597 13.757 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.942 13.365 6.901 1.00 0.00 H new ATOM 148 N ASP A 10 -9.503 9.005 9.341 1.00 0.00 N ATOM 149 CA ASP A 10 -9.062 7.632 9.529 1.00 0.00 C ATOM 150 C ASP A 10 -10.024 6.705 8.817 1.00 0.00 C ATOM 151 O ASP A 10 -11.060 6.323 9.361 1.00 0.00 O ATOM 152 CB ASP A 10 -8.980 7.252 11.011 1.00 0.00 C ATOM 153 CG ASP A 10 -7.804 7.886 11.716 1.00 0.00 C ATOM 154 OD1 ASP A 10 -6.661 7.428 11.500 1.00 0.00 O ATOM 155 OD2 ASP A 10 -8.018 8.834 12.501 1.00 0.00 O ATOM 0 H ASP A 10 -9.831 9.468 10.189 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.059 7.537 9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.901 7.553 11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.909 6.168 11.100 1.00 0.00 H new ATOM 160 N VAL A 11 -9.711 6.396 7.575 1.00 0.00 N ATOM 161 CA VAL A 11 -10.556 5.543 6.772 1.00 0.00 C ATOM 162 C VAL A 11 -10.129 4.099 6.956 1.00 0.00 C ATOM 163 O VAL A 11 -9.071 3.690 6.473 1.00 0.00 O ATOM 164 CB VAL A 11 -10.497 5.931 5.276 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.522 5.154 4.472 1.00 0.00 C ATOM 166 CG2 VAL A 11 -10.712 7.427 5.101 1.00 0.00 C ATOM 0 H VAL A 11 -8.871 6.727 7.099 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.587 5.669 7.103 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.505 5.676 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.459 5.446 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.323 4.086 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.521 5.371 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.667 7.680 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.689 7.703 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.935 7.971 5.637 1.00 0.00 H new ATOM 176 N LYS A 12 -10.929 3.352 7.699 1.00 0.00 N ATOM 177 CA LYS A 12 -10.618 1.966 8.005 1.00 0.00 C ATOM 178 C LYS A 12 -10.616 1.116 6.743 1.00 0.00 C ATOM 179 O LYS A 12 -11.414 1.334 5.829 1.00 0.00 O ATOM 180 CB LYS A 12 -11.632 1.390 8.999 1.00 0.00 C ATOM 181 CG LYS A 12 -11.389 -0.076 9.316 1.00 0.00 C ATOM 182 CD LYS A 12 -12.573 -0.717 10.012 1.00 0.00 C ATOM 183 CE LYS A 12 -12.373 -2.217 10.139 1.00 0.00 C ATOM 184 NZ LYS A 12 -13.545 -2.890 10.750 1.00 0.00 N ATOM 0 H LYS A 12 -11.804 3.685 8.103 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.623 1.944 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.594 1.967 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.637 1.506 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.178 -0.615 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.506 -0.167 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.702 -0.277 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.485 -0.513 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.186 -2.641 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.488 -2.414 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.363 -3.912 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.709 -2.505 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.386 -2.726 10.161 1.00 0.00 H new ATOM 198 N TRP A 13 -9.721 0.147 6.701 1.00 0.00 N ATOM 199 CA TRP A 13 -9.719 -0.828 5.638 1.00 0.00 C ATOM 200 C TRP A 13 -10.657 -1.959 6.020 1.00 0.00 C ATOM 201 O TRP A 13 -10.442 -2.636 7.027 1.00 0.00 O ATOM 202 CB TRP A 13 -8.313 -1.367 5.386 1.00 0.00 C ATOM 203 CG TRP A 13 -7.926 -1.300 3.945 1.00 0.00 C ATOM 204 CD1 TRP A 13 -8.638 -1.782 2.886 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.737 -0.718 3.401 1.00 0.00 C ATOM 206 NE1 TRP A 13 -7.975 -1.524 1.715 1.00 0.00 N ATOM 207 CE2 TRP A 13 -6.800 -0.876 2.003 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.626 -0.077 3.958 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -5.797 -0.413 1.156 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.632 0.380 3.116 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.722 0.209 1.728 1.00 0.00 C ATOM 0 H TRP A 13 -8.985 0.018 7.396 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.057 -0.355 4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.597 -0.797 5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.257 -2.401 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.587 -2.293 2.960 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.302 -1.773 0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.547 0.058 5.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.865 -0.540 0.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.770 0.878 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.926 0.576 1.097 1.00 0.00 H new ATOM 222 N GLU A 14 -11.706 -2.143 5.229 1.00 0.00 N ATOM 223 CA GLU A 14 -12.736 -3.125 5.545 1.00 0.00 C ATOM 224 C GLU A 14 -12.152 -4.533 5.620 1.00 0.00 C ATOM 225 O GLU A 14 -12.593 -5.358 6.420 1.00 0.00 O ATOM 226 CB GLU A 14 -13.874 -3.040 4.530 1.00 0.00 C ATOM 227 CG GLU A 14 -14.559 -1.680 4.537 1.00 0.00 C ATOM 228 CD GLU A 14 -15.798 -1.632 3.672 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.245 -2.698 3.205 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.336 -0.524 3.456 1.00 0.00 O ATOM 0 H GLU A 14 -11.866 -1.626 4.365 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.143 -2.896 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.483 -3.242 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.609 -3.815 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.829 -1.422 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.854 -0.924 4.192 1.00 0.00 H new ATOM 237 N LYS A 15 -11.152 -4.798 4.795 1.00 0.00 N ATOM 238 CA LYS A 15 -10.361 -6.006 4.939 1.00 0.00 C ATOM 239 C LYS A 15 -8.892 -5.618 5.046 1.00 0.00 C ATOM 240 O LYS A 15 -8.254 -5.310 4.037 1.00 0.00 O ATOM 241 CB LYS A 15 -10.579 -6.975 3.775 1.00 0.00 C ATOM 242 CG LYS A 15 -10.196 -8.404 4.126 1.00 0.00 C ATOM 243 CD LYS A 15 -10.383 -9.361 2.961 1.00 0.00 C ATOM 244 CE LYS A 15 -10.303 -10.811 3.425 1.00 0.00 C ATOM 245 NZ LYS A 15 -9.035 -11.106 4.147 1.00 0.00 N ATOM 0 H LYS A 15 -10.871 -4.195 4.022 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.678 -6.526 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.626 -6.947 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.992 -6.645 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.155 -8.429 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.799 -8.741 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.348 -9.180 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.619 -9.174 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.149 -11.028 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.389 -11.471 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.476 -11.792 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.489 -10.228 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.253 -11.504 5.083 1.00 0.00 H new ATOM 259 N PRO A 16 -8.363 -5.599 6.283 1.00 0.00 N ATOM 260 CA PRO A 16 -7.001 -5.131 6.584 1.00 0.00 C ATOM 261 C PRO A 16 -5.940 -5.695 5.645 1.00 0.00 C ATOM 262 O PRO A 16 -5.982 -6.870 5.266 1.00 0.00 O ATOM 263 CB PRO A 16 -6.772 -5.630 8.009 1.00 0.00 C ATOM 264 CG PRO A 16 -8.130 -5.662 8.615 1.00 0.00 C ATOM 265 CD PRO A 16 -9.068 -6.044 7.503 1.00 0.00 C ATOM 0 HA PRO A 16 -6.916 -4.051 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.312 -6.618 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.107 -4.965 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.177 -6.383 9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.394 -4.691 9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.256 -7.118 7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.035 -5.553 7.608 1.00 0.00 H new ATOM 273 N VAL A 17 -4.988 -4.851 5.278 1.00 0.00 N ATOM 274 CA VAL A 17 -3.931 -5.243 4.360 1.00 0.00 C ATOM 275 C VAL A 17 -2.648 -5.554 5.119 1.00 0.00 C ATOM 276 O VAL A 17 -2.172 -4.747 5.917 1.00 0.00 O ATOM 277 CB VAL A 17 -3.658 -4.144 3.309 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.508 -4.537 2.390 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.912 -3.862 2.497 1.00 0.00 C ATOM 0 H VAL A 17 -4.926 -3.886 5.604 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.268 -6.140 3.841 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.372 -3.235 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.338 -3.745 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.604 -4.686 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.758 -5.462 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.702 -3.085 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.226 -4.772 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.708 -3.526 3.162 1.00 0.00 H new ATOM 289 N THR A 18 -2.111 -6.737 4.878 1.00 0.00 N ATOM 290 CA THR A 18 -0.864 -7.158 5.485 1.00 0.00 C ATOM 291 C THR A 18 0.263 -7.065 4.463 1.00 0.00 C ATOM 292 O THR A 18 0.230 -7.732 3.431 1.00 0.00 O ATOM 293 CB THR A 18 -0.988 -8.599 6.003 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.206 -8.731 6.750 1.00 0.00 O ATOM 295 CG2 THR A 18 0.189 -8.963 6.889 1.00 0.00 C ATOM 0 H THR A 18 -2.527 -7.431 4.257 1.00 0.00 H new ATOM 0 HA THR A 18 -0.638 -6.502 6.326 1.00 0.00 H new ATOM 0 HB THR A 18 -0.996 -9.275 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.289 -9.650 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.076 -9.988 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.114 -8.876 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.224 -8.287 7.743 1.00 0.00 H new ATOM 303 N ILE A 19 1.243 -6.219 4.738 1.00 0.00 N ATOM 304 CA ILE A 19 2.340 -6.011 3.807 1.00 0.00 C ATOM 305 C ILE A 19 3.617 -6.652 4.352 1.00 0.00 C ATOM 306 O ILE A 19 3.800 -6.751 5.567 1.00 0.00 O ATOM 307 CB ILE A 19 2.557 -4.502 3.528 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.326 -4.303 2.223 1.00 0.00 C ATOM 309 CG2 ILE A 19 3.293 -3.829 4.680 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.397 -2.861 1.775 1.00 0.00 C ATOM 0 H ILE A 19 1.301 -5.668 5.594 1.00 0.00 H new ATOM 0 HA ILE A 19 2.085 -6.488 2.861 1.00 0.00 H new ATOM 0 HB ILE A 19 1.576 -4.036 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.339 -4.687 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.854 -4.895 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.431 -2.771 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.709 -3.933 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.266 -4.301 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.958 -2.797 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.388 -2.478 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.896 -2.266 2.540 1.00 0.00 H new ATOM 322 N SER A 20 4.482 -7.107 3.455 1.00 0.00 N ATOM 323 CA SER A 20 5.706 -7.784 3.855 1.00 0.00 C ATOM 324 C SER A 20 6.904 -6.853 3.695 1.00 0.00 C ATOM 325 O SER A 20 7.363 -6.600 2.579 1.00 0.00 O ATOM 326 CB SER A 20 5.909 -9.058 3.026 1.00 0.00 C ATOM 327 OG SER A 20 7.010 -9.819 3.501 1.00 0.00 O ATOM 0 H SER A 20 4.358 -7.019 2.446 1.00 0.00 H new ATOM 0 HA SER A 20 5.619 -8.063 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.004 -9.664 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.073 -8.791 1.982 1.00 0.00 H new ATOM 0 HG SER A 20 7.112 -10.625 2.953 1.00 0.00 H new ATOM 333 N LEU A 21 7.397 -6.340 4.812 1.00 0.00 N ATOM 334 CA LEU A 21 8.537 -5.431 4.798 1.00 0.00 C ATOM 335 C LEU A 21 9.816 -6.181 4.447 1.00 0.00 C ATOM 336 O LEU A 21 9.851 -7.413 4.474 1.00 0.00 O ATOM 337 CB LEU A 21 8.714 -4.740 6.158 1.00 0.00 C ATOM 338 CG LEU A 21 7.676 -3.670 6.517 1.00 0.00 C ATOM 339 CD1 LEU A 21 6.322 -4.291 6.826 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.163 -2.841 7.695 1.00 0.00 C ATOM 0 H LEU A 21 7.026 -6.537 5.742 1.00 0.00 H new ATOM 0 HA LEU A 21 8.340 -4.672 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.700 -5.505 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.702 -4.280 6.182 1.00 0.00 H new ATOM 0 HG LEU A 21 7.551 -3.018 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.610 -3.505 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.966 -4.839 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.419 -4.975 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.418 -2.085 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.319 -3.490 8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.102 -2.353 7.433 1.00 0.00 H new ATOM 352 N GLN A 22 10.875 -5.432 4.148 1.00 0.00 N ATOM 353 CA GLN A 22 12.181 -6.020 3.858 1.00 0.00 C ATOM 354 C GLN A 22 12.716 -6.735 5.098 1.00 0.00 C ATOM 355 O GLN A 22 13.599 -7.591 5.015 1.00 0.00 O ATOM 356 CB GLN A 22 13.152 -4.926 3.404 1.00 0.00 C ATOM 357 CG GLN A 22 14.525 -5.444 3.007 1.00 0.00 C ATOM 358 CD GLN A 22 15.436 -4.344 2.504 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.979 -3.361 1.919 1.00 0.00 O ATOM 360 NE2 GLN A 22 16.726 -4.495 2.741 1.00 0.00 N ATOM 0 H GLN A 22 10.854 -4.413 4.100 1.00 0.00 H new ATOM 0 HA GLN A 22 12.079 -6.750 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.716 -4.396 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.268 -4.200 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.988 -5.931 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.414 -6.202 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.061 -5.326 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.388 -3.781 2.436 1.00 0.00 H new ATOM 369 N ASN A 23 12.137 -6.392 6.243 1.00 0.00 N ATOM 370 CA ASN A 23 12.470 -7.027 7.514 1.00 0.00 C ATOM 371 C ASN A 23 12.084 -8.503 7.489 1.00 0.00 C ATOM 372 O ASN A 23 12.624 -9.306 8.247 1.00 0.00 O ATOM 373 CB ASN A 23 11.700 -6.356 8.663 1.00 0.00 C ATOM 374 CG ASN A 23 12.014 -4.881 8.837 1.00 0.00 C ATOM 375 OD1 ASN A 23 12.384 -4.188 7.889 1.00 0.00 O ATOM 376 ND2 ASN A 23 11.844 -4.384 10.051 1.00 0.00 N ATOM 0 H ASN A 23 11.424 -5.666 6.317 1.00 0.00 H new ATOM 0 HA ASN A 23 13.544 -6.922 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.631 -6.471 8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.927 -6.878 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.021 -3.395 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.536 -4.990 10.812 1.00 0.00 H new ATOM 383 N GLY A 24 11.160 -8.851 6.602 1.00 0.00 N ATOM 384 CA GLY A 24 10.605 -10.186 6.600 1.00 0.00 C ATOM 385 C GLY A 24 9.488 -10.297 7.612 1.00 0.00 C ATOM 386 O GLY A 24 9.293 -11.340 8.234 1.00 0.00 O ATOM 0 H GLY A 24 10.786 -8.230 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.228 -10.428 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.386 -10.911 6.830 1.00 0.00 H new ATOM 390 N ALA A 25 8.760 -9.203 7.777 1.00 0.00 N ATOM 391 CA ALA A 25 7.702 -9.125 8.766 1.00 0.00 C ATOM 392 C ALA A 25 6.414 -8.603 8.141 1.00 0.00 C ATOM 393 O ALA A 25 6.444 -7.646 7.360 1.00 0.00 O ATOM 394 CB ALA A 25 8.133 -8.232 9.921 1.00 0.00 C ATOM 0 H ALA A 25 8.887 -8.350 7.232 1.00 0.00 H new ATOM 0 HA ALA A 25 7.510 -10.128 9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.332 -8.179 10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.028 -8.645 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.348 -7.231 9.547 1.00 0.00 H new ATOM 400 N PRO A 26 5.273 -9.234 8.455 1.00 0.00 N ATOM 401 CA PRO A 26 3.963 -8.796 7.991 1.00 0.00 C ATOM 402 C PRO A 26 3.370 -7.725 8.900 1.00 0.00 C ATOM 403 O PRO A 26 3.148 -7.956 10.090 1.00 0.00 O ATOM 404 CB PRO A 26 3.113 -10.076 8.047 1.00 0.00 C ATOM 405 CG PRO A 26 3.967 -11.133 8.678 1.00 0.00 C ATOM 406 CD PRO A 26 5.156 -10.441 9.278 1.00 0.00 C ATOM 0 HA PRO A 26 4.008 -8.347 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.206 -9.913 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.800 -10.377 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.409 -11.673 9.443 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.282 -11.867 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.997 -10.201 10.329 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.054 -11.057 9.224 1.00 0.00 H new ATOM 414 N ARG A 27 3.133 -6.550 8.341 1.00 0.00 N ATOM 415 CA ARG A 27 2.495 -5.474 9.080 1.00 0.00 C ATOM 416 C ARG A 27 1.060 -5.303 8.601 1.00 0.00 C ATOM 417 O ARG A 27 0.809 -5.160 7.400 1.00 0.00 O ATOM 418 CB ARG A 27 3.278 -4.167 8.925 1.00 0.00 C ATOM 419 CG ARG A 27 2.693 -3.007 9.716 1.00 0.00 C ATOM 420 CD ARG A 27 3.628 -1.808 9.728 1.00 0.00 C ATOM 421 NE ARG A 27 4.894 -2.110 10.394 1.00 0.00 N ATOM 422 CZ ARG A 27 5.965 -1.319 10.355 1.00 0.00 C ATOM 423 NH1 ARG A 27 5.914 -0.153 9.722 1.00 0.00 N ATOM 424 NH2 ARG A 27 7.085 -1.684 10.970 1.00 0.00 N ATOM 0 H ARG A 27 3.373 -6.317 7.377 1.00 0.00 H new ATOM 0 HA ARG A 27 2.486 -5.732 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.307 -4.330 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.310 -3.896 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.735 -2.718 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.497 -3.326 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.823 -1.490 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.142 -0.974 10.234 1.00 0.00 H new ATOM 0 HE ARG A 27 4.961 -2.981 10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.052 0.141 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.737 0.449 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.125 -2.571 11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.905 -1.077 10.939 1.00 0.00 H new ATOM 438 N ILE A 28 0.125 -5.341 9.538 1.00 0.00 N ATOM 439 CA ILE A 28 -1.290 -5.267 9.215 1.00 0.00 C ATOM 440 C ILE A 28 -1.810 -3.842 9.369 1.00 0.00 C ATOM 441 O ILE A 28 -1.785 -3.270 10.462 1.00 0.00 O ATOM 442 CB ILE A 28 -2.119 -6.207 10.118 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.544 -7.625 10.083 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.578 -6.210 9.678 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.233 -8.586 11.029 1.00 0.00 C ATOM 0 H ILE A 28 0.324 -5.423 10.535 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.400 -5.582 8.177 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.067 -5.841 11.143 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.619 -8.013 9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.483 -7.583 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.151 -6.876 10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.982 -5.200 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.646 -6.556 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.771 -9.570 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.136 -8.222 12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.289 -8.658 10.769 1.00 0.00 H new ATOM 457 N PHE A 29 -2.270 -3.268 8.270 1.00 0.00 N ATOM 458 CA PHE A 29 -2.872 -1.946 8.295 1.00 0.00 C ATOM 459 C PHE A 29 -4.373 -2.067 8.500 1.00 0.00 C ATOM 460 O PHE A 29 -5.058 -2.752 7.735 1.00 0.00 O ATOM 461 CB PHE A 29 -2.587 -1.191 6.994 1.00 0.00 C ATOM 462 CG PHE A 29 -1.127 -1.093 6.659 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.261 -0.373 7.466 1.00 0.00 C ATOM 464 CD2 PHE A 29 -0.622 -1.725 5.535 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.080 -0.281 7.154 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.717 -1.636 5.218 1.00 0.00 C ATOM 467 CZ PHE A 29 1.571 -0.915 6.029 1.00 0.00 C ATOM 0 H PHE A 29 -2.238 -3.699 7.346 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.435 -1.386 9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.106 -1.689 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.001 -0.186 7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.639 0.121 8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.284 -2.294 4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.745 0.286 7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.098 -2.130 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.621 -0.847 5.784 1.00 0.00 H new ATOM 477 N ASN A 30 -4.883 -1.417 9.533 1.00 0.00 N ATOM 478 CA ASN A 30 -6.305 -1.461 9.835 1.00 0.00 C ATOM 479 C ASN A 30 -7.012 -0.308 9.146 1.00 0.00 C ATOM 480 O ASN A 30 -8.218 -0.345 8.919 1.00 0.00 O ATOM 481 CB ASN A 30 -6.544 -1.394 11.346 1.00 0.00 C ATOM 482 CG ASN A 30 -5.935 -2.565 12.096 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.920 -3.736 11.476 1.00 0.00 O flip ATOM 484 ND2 ASN A 30 -5.493 -2.420 13.236 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.332 -0.851 10.178 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.708 -2.405 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.126 -0.465 11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.617 -1.365 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.522 -1.503 13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.098 -3.217 13.735 1.00 0.00 H new ATOM 491 N GLY A 31 -6.241 0.712 8.808 1.00 0.00 N ATOM 492 CA GLY A 31 -6.787 1.861 8.126 1.00 0.00 C ATOM 493 C GLY A 31 -5.884 2.316 7.006 1.00 0.00 C ATOM 494 O GLY A 31 -4.679 2.059 7.031 1.00 0.00 O ATOM 0 H GLY A 31 -5.240 0.763 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.770 1.615 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.927 2.676 8.837 1.00 0.00 H new ATOM 498 N VAL A 32 -6.461 2.995 6.027 1.00 0.00 N ATOM 499 CA VAL A 32 -5.708 3.466 4.872 1.00 0.00 C ATOM 500 C VAL A 32 -4.632 4.464 5.293 1.00 0.00 C ATOM 501 O VAL A 32 -3.561 4.528 4.689 1.00 0.00 O ATOM 502 CB VAL A 32 -6.631 4.119 3.821 1.00 0.00 C ATOM 503 CG1 VAL A 32 -5.841 4.532 2.589 1.00 0.00 C ATOM 504 CG2 VAL A 32 -7.760 3.174 3.437 1.00 0.00 C ATOM 0 H VAL A 32 -7.452 3.234 6.008 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.233 2.594 4.423 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.066 5.015 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.513 4.990 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.071 5.249 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.372 3.653 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.399 3.653 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.342 2.259 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.349 2.932 4.322 1.00 0.00 H new ATOM 514 N TYR A 33 -4.908 5.222 6.350 1.00 0.00 N ATOM 515 CA TYR A 33 -3.972 6.232 6.829 1.00 0.00 C ATOM 516 C TYR A 33 -2.646 5.601 7.249 1.00 0.00 C ATOM 517 O TYR A 33 -1.576 6.123 6.929 1.00 0.00 O ATOM 518 CB TYR A 33 -4.574 7.016 8.000 1.00 0.00 C ATOM 519 CG TYR A 33 -3.637 8.062 8.557 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.395 9.241 7.865 1.00 0.00 C ATOM 521 CD2 TYR A 33 -2.980 7.863 9.765 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.525 10.192 8.360 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.105 8.807 10.264 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.883 9.970 9.560 1.00 0.00 C ATOM 525 OH TYR A 33 -1.007 10.909 10.050 1.00 0.00 O ATOM 0 H TYR A 33 -5.771 5.156 6.890 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.779 6.920 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.494 7.499 7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.845 6.320 8.794 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.895 9.417 6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.157 6.955 10.323 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.348 11.105 7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.597 8.635 11.201 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.641 10.600 10.905 1.00 0.00 H new ATOM 535 N GLU A 34 -2.722 4.473 7.949 1.00 0.00 N ATOM 536 CA GLU A 34 -1.528 3.769 8.411 1.00 0.00 C ATOM 537 C GLU A 34 -0.647 3.373 7.232 1.00 0.00 C ATOM 538 O GLU A 34 0.577 3.506 7.280 1.00 0.00 O ATOM 539 CB GLU A 34 -1.916 2.517 9.200 1.00 0.00 C ATOM 540 CG GLU A 34 -2.732 2.799 10.449 1.00 0.00 C ATOM 541 CD GLU A 34 -3.151 1.529 11.160 1.00 0.00 C ATOM 542 OE1 GLU A 34 -4.219 0.982 10.823 1.00 0.00 O ATOM 543 OE2 GLU A 34 -2.413 1.068 12.056 1.00 0.00 O ATOM 0 H GLU A 34 -3.600 4.025 8.210 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.970 4.444 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.485 1.853 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.009 1.984 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.148 3.418 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.619 3.372 10.179 1.00 0.00 H new ATOM 550 N ALA A 35 -1.288 2.895 6.174 1.00 0.00 N ATOM 551 CA ALA A 35 -0.582 2.455 4.982 1.00 0.00 C ATOM 552 C ALA A 35 -0.030 3.643 4.201 1.00 0.00 C ATOM 553 O ALA A 35 1.118 3.629 3.762 1.00 0.00 O ATOM 554 CB ALA A 35 -1.512 1.626 4.108 1.00 0.00 C ATOM 0 H ALA A 35 -2.302 2.802 6.119 1.00 0.00 H new ATOM 0 HA ALA A 35 0.263 1.838 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.978 1.299 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.855 0.754 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.371 2.230 3.815 1.00 0.00 H new ATOM 560 N PHE A 36 -0.852 4.679 4.054 1.00 0.00 N ATOM 561 CA PHE A 36 -0.469 5.872 3.305 1.00 0.00 C ATOM 562 C PHE A 36 0.765 6.530 3.919 1.00 0.00 C ATOM 563 O PHE A 36 1.612 7.070 3.206 1.00 0.00 O ATOM 564 CB PHE A 36 -1.638 6.864 3.266 1.00 0.00 C ATOM 565 CG PHE A 36 -1.386 8.073 2.407 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.182 7.942 1.042 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.370 9.343 2.963 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.963 9.051 0.249 1.00 0.00 C ATOM 569 CE2 PHE A 36 -1.149 10.457 2.175 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.948 10.311 0.816 1.00 0.00 C ATOM 0 H PHE A 36 -1.793 4.716 4.446 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.221 5.574 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.526 6.349 2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.857 7.192 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.195 6.960 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.532 9.463 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.804 8.934 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.133 11.440 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.779 11.180 0.198 1.00 0.00 H new ATOM 580 N ASP A 37 0.867 6.473 5.242 1.00 0.00 N ATOM 581 CA ASP A 37 2.031 7.009 5.941 1.00 0.00 C ATOM 582 C ASP A 37 3.259 6.148 5.646 1.00 0.00 C ATOM 583 O ASP A 37 4.326 6.661 5.306 1.00 0.00 O ATOM 584 CB ASP A 37 1.769 7.059 7.450 1.00 0.00 C ATOM 585 CG ASP A 37 2.843 7.815 8.213 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.927 7.247 8.450 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.598 8.983 8.591 1.00 0.00 O ATOM 0 H ASP A 37 0.160 6.062 5.852 1.00 0.00 H new ATOM 0 HA ASP A 37 2.217 8.023 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.803 7.530 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.704 6.042 7.836 1.00 0.00 H new ATOM 592 N PHE A 38 3.081 4.832 5.739 1.00 0.00 N ATOM 593 CA PHE A 38 4.163 3.874 5.512 1.00 0.00 C ATOM 594 C PHE A 38 4.744 4.008 4.104 1.00 0.00 C ATOM 595 O PHE A 38 5.961 3.979 3.921 1.00 0.00 O ATOM 596 CB PHE A 38 3.649 2.445 5.732 1.00 0.00 C ATOM 597 CG PHE A 38 4.661 1.373 5.427 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.790 1.219 6.216 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.486 0.520 4.345 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.721 0.238 5.936 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.414 -0.463 4.061 1.00 0.00 C ATOM 602 CZ PHE A 38 6.532 -0.605 4.857 1.00 0.00 C ATOM 0 H PHE A 38 2.187 4.400 5.973 1.00 0.00 H new ATOM 0 HA PHE A 38 4.959 4.090 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.328 2.342 6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.769 2.287 5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.944 1.874 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.613 0.627 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.596 0.130 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.265 -1.120 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.258 -1.374 4.637 1.00 0.00 H new ATOM 612 N LEU A 39 3.868 4.181 3.124 1.00 0.00 N ATOM 613 CA LEU A 39 4.272 4.247 1.721 1.00 0.00 C ATOM 614 C LEU A 39 5.122 5.481 1.426 1.00 0.00 C ATOM 615 O LEU A 39 5.807 5.542 0.405 1.00 0.00 O ATOM 616 CB LEU A 39 3.041 4.257 0.821 1.00 0.00 C ATOM 617 CG LEU A 39 2.105 3.060 0.979 1.00 0.00 C ATOM 618 CD1 LEU A 39 0.910 3.202 0.058 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.843 1.762 0.703 1.00 0.00 C ATOM 0 H LEU A 39 2.864 4.279 3.274 1.00 0.00 H new ATOM 0 HA LEU A 39 4.877 3.363 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.475 5.168 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.371 4.304 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 39 1.747 3.034 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.252 2.342 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.366 4.114 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.251 3.252 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.158 0.922 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.231 1.774 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.670 1.657 1.405 1.00 0.00 H new ATOM 631 N GLN A 40 5.061 6.468 2.308 1.00 0.00 N ATOM 632 CA GLN A 40 5.849 7.681 2.146 1.00 0.00 C ATOM 633 C GLN A 40 7.077 7.635 3.039 1.00 0.00 C ATOM 634 O GLN A 40 7.886 8.559 3.055 1.00 0.00 O ATOM 635 CB GLN A 40 5.013 8.914 2.491 1.00 0.00 C ATOM 636 CG GLN A 40 3.775 9.083 1.634 1.00 0.00 C ATOM 637 CD GLN A 40 2.911 10.233 2.104 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.076 11.372 1.666 1.00 0.00 O ATOM 639 NE2 GLN A 40 1.994 9.947 3.011 1.00 0.00 N ATOM 0 H GLN A 40 4.475 6.453 3.142 1.00 0.00 H new ATOM 0 HA GLN A 40 6.164 7.746 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.712 8.854 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.636 9.802 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.071 9.252 0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.193 8.162 1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.890 8.990 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.390 10.684 3.375 1.00 0.00 H new ATOM 648 N HIS A 41 7.201 6.554 3.784 1.00 0.00 N ATOM 649 CA HIS A 41 8.298 6.398 4.719 1.00 0.00 C ATOM 650 C HIS A 41 9.282 5.346 4.240 1.00 0.00 C ATOM 651 O HIS A 41 10.450 5.646 3.988 1.00 0.00 O ATOM 652 CB HIS A 41 7.776 6.018 6.104 1.00 0.00 C ATOM 653 CG HIS A 41 7.409 7.190 6.957 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.998 7.433 8.176 1.00 0.00 N ATOM 655 CD2 HIS A 41 6.511 8.184 6.772 1.00 0.00 C ATOM 656 CE1 HIS A 41 7.477 8.521 8.704 1.00 0.00 C ATOM 657 NE2 HIS A 41 6.571 8.999 7.875 1.00 0.00 N ATOM 0 H HIS A 41 6.552 5.767 3.760 1.00 0.00 H new ATOM 0 HA HIS A 41 8.815 7.356 4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.902 5.377 5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.536 5.430 6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.866 8.313 5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.747 8.950 9.658 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.008 9.836 8.028 1.00 0.00 H new ATOM 666 N GLU A 42 8.805 4.117 4.106 1.00 0.00 N ATOM 667 CA GLU A 42 9.691 2.995 3.842 1.00 0.00 C ATOM 668 C GLU A 42 9.090 2.016 2.839 1.00 0.00 C ATOM 669 O GLU A 42 8.859 0.853 3.166 1.00 0.00 O ATOM 670 CB GLU A 42 10.008 2.271 5.155 1.00 0.00 C ATOM 671 CG GLU A 42 10.705 3.153 6.179 1.00 0.00 C ATOM 672 CD GLU A 42 10.817 2.508 7.541 1.00 0.00 C ATOM 673 OE1 GLU A 42 11.780 1.743 7.768 1.00 0.00 O ATOM 674 OE2 GLU A 42 9.951 2.778 8.400 1.00 0.00 O ATOM 0 H GLU A 42 7.817 3.873 4.175 1.00 0.00 H new ATOM 0 HA GLU A 42 10.608 3.389 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.081 1.891 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.638 1.407 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.703 3.399 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.159 4.092 6.272 1.00 0.00 H new ATOM 681 N TRP A 43 8.815 2.488 1.628 1.00 0.00 N ATOM 682 CA TRP A 43 8.466 1.586 0.536 1.00 0.00 C ATOM 683 C TRP A 43 9.760 1.017 -0.049 1.00 0.00 C ATOM 684 O TRP A 43 10.481 1.705 -0.776 1.00 0.00 O ATOM 685 CB TRP A 43 7.637 2.315 -0.529 1.00 0.00 C ATOM 686 CG TRP A 43 7.176 1.434 -1.655 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.594 1.483 -2.951 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.204 0.380 -1.591 1.00 0.00 C ATOM 689 NE1 TRP A 43 6.951 0.528 -3.696 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.092 -0.161 -2.887 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.420 -0.160 -0.570 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.232 -1.213 -3.185 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.566 -1.204 -0.870 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.477 -1.720 -2.167 1.00 0.00 C ATOM 0 H TRP A 43 8.826 3.477 1.379 1.00 0.00 H new ATOM 0 HA TRP A 43 7.849 0.768 0.908 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.765 2.763 -0.052 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.230 3.132 -0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.327 2.176 -3.337 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.091 0.359 -4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.480 0.231 0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.164 -1.614 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.955 -1.630 -0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.798 -2.535 -2.367 1.00 0.00 H new ATOM 705 N PRO A 44 10.068 -0.251 0.275 1.00 0.00 N ATOM 706 CA PRO A 44 11.401 -0.838 0.058 1.00 0.00 C ATOM 707 C PRO A 44 11.791 -0.995 -1.410 1.00 0.00 C ATOM 708 O PRO A 44 12.951 -0.791 -1.775 1.00 0.00 O ATOM 709 CB PRO A 44 11.296 -2.212 0.730 1.00 0.00 C ATOM 710 CG PRO A 44 9.842 -2.531 0.732 1.00 0.00 C ATOM 711 CD PRO A 44 9.130 -1.218 0.876 1.00 0.00 C ATOM 0 HA PRO A 44 12.177 -0.189 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.864 -2.964 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.696 -2.187 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.552 -3.033 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.591 -3.203 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.171 -1.222 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.927 -0.984 1.921 1.00 0.00 H new ATOM 719 N ALA A 45 10.836 -1.362 -2.247 1.00 0.00 N ATOM 720 CA ALA A 45 11.130 -1.649 -3.641 1.00 0.00 C ATOM 721 C ALA A 45 10.885 -0.431 -4.520 1.00 0.00 C ATOM 722 O ALA A 45 10.023 0.398 -4.230 1.00 0.00 O ATOM 723 CB ALA A 45 10.299 -2.827 -4.119 1.00 0.00 C ATOM 0 H ALA A 45 9.855 -1.468 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 45 12.186 -1.907 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.528 -3.033 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.532 -3.705 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.240 -2.590 -4.019 1.00 0.00 H new ATOM 729 N ARG A 46 11.663 -0.322 -5.581 1.00 0.00 N ATOM 730 CA ARG A 46 11.502 0.758 -6.544 1.00 0.00 C ATOM 731 C ARG A 46 10.376 0.441 -7.530 1.00 0.00 C ATOM 732 O ARG A 46 9.597 -0.488 -7.321 1.00 0.00 O ATOM 733 CB ARG A 46 12.816 0.999 -7.285 1.00 0.00 C ATOM 734 CG ARG A 46 13.862 1.718 -6.449 1.00 0.00 C ATOM 735 CD ARG A 46 15.154 1.913 -7.222 1.00 0.00 C ATOM 736 NE ARG A 46 15.860 0.651 -7.432 1.00 0.00 N ATOM 737 CZ ARG A 46 16.241 0.195 -8.622 1.00 0.00 C ATOM 738 NH1 ARG A 46 15.935 0.863 -9.730 1.00 0.00 N ATOM 739 NH2 ARG A 46 16.918 -0.941 -8.696 1.00 0.00 N ATOM 0 H ARG A 46 12.418 -0.971 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 46 11.232 1.667 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.220 0.041 -7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.615 1.584 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.475 2.687 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.062 1.146 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.934 2.371 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.800 2.604 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 46 16.075 0.083 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.404 1.732 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.231 0.506 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.142 -1.457 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.215 -1.300 -9.604 1.00 0.00 H new ATOM 753 N GLY A 47 10.287 1.228 -8.590 1.00 0.00 N ATOM 754 CA GLY A 47 9.232 1.039 -9.565 1.00 0.00 C ATOM 755 C GLY A 47 8.711 2.360 -10.095 1.00 0.00 C ATOM 756 O GLY A 47 8.065 2.400 -11.140 1.00 0.00 O ATOM 0 H GLY A 47 10.927 1.996 -8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.606 0.437 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.413 0.481 -9.111 1.00 0.00 H new ATOM 760 N ASP A 48 8.992 3.430 -9.350 1.00 0.00 N ATOM 761 CA ASP A 48 8.592 4.792 -9.723 1.00 0.00 C ATOM 762 C ASP A 48 7.070 4.934 -9.760 1.00 0.00 C ATOM 763 O ASP A 48 6.462 5.389 -8.792 1.00 0.00 O ATOM 764 CB ASP A 48 9.210 5.200 -11.065 1.00 0.00 C ATOM 765 CG ASP A 48 8.908 6.639 -11.436 1.00 0.00 C ATOM 766 OD1 ASP A 48 8.991 7.518 -10.552 1.00 0.00 O ATOM 767 OD2 ASP A 48 8.586 6.897 -12.616 1.00 0.00 O ATOM 0 H ASP A 48 9.504 3.379 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 48 8.972 5.468 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.290 5.060 -11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.835 4.541 -11.848 1.00 0.00 H new ATOM 772 N ARG A 49 6.450 4.510 -10.857 1.00 0.00 N ATOM 773 CA ARG A 49 4.999 4.565 -10.970 1.00 0.00 C ATOM 774 C ARG A 49 4.358 3.482 -10.116 1.00 0.00 C ATOM 775 O ARG A 49 3.188 3.580 -9.756 1.00 0.00 O ATOM 776 CB ARG A 49 4.551 4.444 -12.429 1.00 0.00 C ATOM 777 CG ARG A 49 4.941 5.650 -13.265 1.00 0.00 C ATOM 778 CD ARG A 49 4.350 5.599 -14.666 1.00 0.00 C ATOM 779 NE ARG A 49 2.882 5.628 -14.674 1.00 0.00 N ATOM 780 CZ ARG A 49 2.150 6.717 -14.427 1.00 0.00 C ATOM 781 NH1 ARG A 49 2.734 7.836 -14.025 1.00 0.00 N ATOM 782 NH2 ARG A 49 0.827 6.678 -14.561 1.00 0.00 N ATOM 0 H ARG A 49 6.926 4.128 -11.674 1.00 0.00 H new ATOM 0 HA ARG A 49 4.668 5.536 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.990 3.547 -12.866 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.469 4.318 -12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.606 6.559 -12.765 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.027 5.705 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.727 6.443 -15.244 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.692 4.693 -15.165 1.00 0.00 H new ATOM 0 HE ARG A 49 2.389 4.759 -14.882 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.746 7.868 -13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.171 8.666 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.369 5.815 -14.853 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.270 7.512 -14.372 1.00 0.00 H new ATOM 796 N ALA A 50 5.133 2.453 -9.785 1.00 0.00 N ATOM 797 CA ALA A 50 4.684 1.439 -8.838 1.00 0.00 C ATOM 798 C ALA A 50 4.543 2.060 -7.453 1.00 0.00 C ATOM 799 O ALA A 50 3.585 1.794 -6.730 1.00 0.00 O ATOM 800 CB ALA A 50 5.652 0.267 -8.804 1.00 0.00 C ATOM 0 H ALA A 50 6.070 2.300 -10.157 1.00 0.00 H new ATOM 0 HA ALA A 50 3.713 1.061 -9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.297 -0.477 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.715 -0.182 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.638 0.618 -8.501 1.00 0.00 H new ATOM 806 N HIS A 51 5.502 2.914 -7.108 1.00 0.00 N ATOM 807 CA HIS A 51 5.471 3.647 -5.848 1.00 0.00 C ATOM 808 C HIS A 51 4.356 4.689 -5.900 1.00 0.00 C ATOM 809 O HIS A 51 3.590 4.848 -4.947 1.00 0.00 O ATOM 810 CB HIS A 51 6.833 4.324 -5.602 1.00 0.00 C ATOM 811 CG HIS A 51 7.009 4.915 -4.228 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.228 5.762 -3.513 1.00 0.00 N flip ATOM 813 CD2 HIS A 51 8.111 4.668 -3.438 1.00 0.00 C flip ATOM 814 CE1 HIS A 51 6.862 6.001 -2.320 1.00 0.00 C flip ATOM 815 NE2 HIS A 51 7.996 5.331 -2.305 1.00 0.00 N flip ATOM 0 H HIS A 51 6.316 3.116 -7.689 1.00 0.00 H new ATOM 0 HA HIS A 51 5.276 2.958 -5.026 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.622 3.591 -5.770 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.969 5.114 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.940 4.030 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.493 6.633 -1.526 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.673 5.326 -1.542 1.00 0.00 H new ATOM 824 N GLU A 52 4.265 5.378 -7.032 1.00 0.00 N ATOM 825 CA GLU A 52 3.262 6.420 -7.226 1.00 0.00 C ATOM 826 C GLU A 52 1.848 5.851 -7.127 1.00 0.00 C ATOM 827 O GLU A 52 0.983 6.444 -6.488 1.00 0.00 O ATOM 828 CB GLU A 52 3.453 7.103 -8.583 1.00 0.00 C ATOM 829 CG GLU A 52 2.597 8.347 -8.760 1.00 0.00 C ATOM 830 CD GLU A 52 2.673 8.921 -10.158 1.00 0.00 C ATOM 831 OE1 GLU A 52 3.776 9.323 -10.586 1.00 0.00 O ATOM 832 OE2 GLU A 52 1.626 8.988 -10.834 1.00 0.00 O ATOM 0 H GLU A 52 4.878 5.233 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 52 3.393 7.157 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.502 7.374 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.216 6.393 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.560 8.104 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.914 9.105 -8.044 1.00 0.00 H new ATOM 839 N GLN A 53 1.622 4.698 -7.757 1.00 0.00 N ATOM 840 CA GLN A 53 0.303 4.067 -7.759 1.00 0.00 C ATOM 841 C GLN A 53 -0.142 3.736 -6.338 1.00 0.00 C ATOM 842 O GLN A 53 -1.305 3.923 -5.986 1.00 0.00 O ATOM 843 CB GLN A 53 0.313 2.794 -8.610 1.00 0.00 C ATOM 844 CG GLN A 53 -1.068 2.184 -8.810 1.00 0.00 C ATOM 845 CD GLN A 53 -1.038 0.880 -9.589 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.058 0.730 -10.466 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 -1.890 0.012 -9.401 1.00 0.00 N flip ATOM 0 H GLN A 53 2.335 4.182 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.405 4.774 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.745 3.022 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.962 2.056 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.525 2.008 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.702 2.899 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.630 0.164 -8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.856 -0.859 -9.930 1.00 0.00 H new ATOM 856 N ALA A 54 0.796 3.259 -5.526 1.00 0.00 N ATOM 857 CA ALA A 54 0.509 2.924 -4.137 1.00 0.00 C ATOM 858 C ALA A 54 -0.034 4.138 -3.387 1.00 0.00 C ATOM 859 O ALA A 54 -1.056 4.054 -2.702 1.00 0.00 O ATOM 860 CB ALA A 54 1.760 2.388 -3.455 1.00 0.00 C ATOM 0 H ALA A 54 1.763 3.096 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.256 2.148 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.532 2.142 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.102 1.493 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.543 3.146 -3.484 1.00 0.00 H new ATOM 866 N LEU A 55 0.644 5.271 -3.537 1.00 0.00 N ATOM 867 CA LEU A 55 0.210 6.512 -2.901 1.00 0.00 C ATOM 868 C LEU A 55 -1.063 7.036 -3.561 1.00 0.00 C ATOM 869 O LEU A 55 -1.949 7.567 -2.890 1.00 0.00 O ATOM 870 CB LEU A 55 1.314 7.578 -2.962 1.00 0.00 C ATOM 871 CG LEU A 55 2.432 7.446 -1.916 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.166 6.125 -2.057 1.00 0.00 C ATOM 873 CD2 LEU A 55 3.413 8.604 -2.036 1.00 0.00 C ATOM 0 H LEU A 55 1.495 5.357 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.000 6.296 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.765 7.550 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.852 8.559 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 55 1.969 7.474 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.951 6.062 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.464 5.302 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.611 6.060 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.198 8.495 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.857 8.603 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.887 9.545 -1.875 1.00 0.00 H new ATOM 885 N ARG A 56 -1.141 6.873 -4.877 1.00 0.00 N ATOM 886 CA ARG A 56 -2.306 7.278 -5.660 1.00 0.00 C ATOM 887 C ARG A 56 -3.586 6.675 -5.085 1.00 0.00 C ATOM 888 O ARG A 56 -4.555 7.385 -4.806 1.00 0.00 O ATOM 889 CB ARG A 56 -2.130 6.815 -7.111 1.00 0.00 C ATOM 890 CG ARG A 56 -3.286 7.177 -8.033 1.00 0.00 C ATOM 891 CD ARG A 56 -3.131 8.574 -8.610 1.00 0.00 C ATOM 892 NE ARG A 56 -1.953 8.683 -9.476 1.00 0.00 N ATOM 893 CZ ARG A 56 -2.001 8.632 -10.811 1.00 0.00 C ATOM 894 NH1 ARG A 56 -3.153 8.403 -11.431 1.00 0.00 N ATOM 895 NH2 ARG A 56 -0.894 8.780 -11.527 1.00 0.00 N ATOM 0 H ARG A 56 -0.396 6.455 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.389 8.364 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.214 7.250 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.999 5.733 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.344 6.453 -8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.224 7.113 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.024 8.832 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.051 9.295 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.042 8.805 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.006 8.265 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.185 8.365 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.001 8.934 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.936 8.740 -12.545 1.00 0.00 H new ATOM 909 N LEU A 57 -3.565 5.363 -4.898 1.00 0.00 N ATOM 910 CA LEU A 57 -4.729 4.626 -4.429 1.00 0.00 C ATOM 911 C LEU A 57 -5.103 5.024 -3.006 1.00 0.00 C ATOM 912 O LEU A 57 -6.263 5.322 -2.722 1.00 0.00 O ATOM 913 CB LEU A 57 -4.449 3.126 -4.501 1.00 0.00 C ATOM 914 CG LEU A 57 -4.089 2.606 -5.893 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.616 1.166 -5.817 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.281 2.728 -6.832 1.00 0.00 C ATOM 0 H LEU A 57 -2.744 4.782 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.573 4.871 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.633 2.890 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.328 2.589 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.276 3.214 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.364 0.813 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.735 1.106 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.409 0.544 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.007 2.353 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.114 2.144 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.577 3.774 -6.911 1.00 0.00 H new ATOM 928 N CYS A 58 -4.117 5.045 -2.120 1.00 0.00 N ATOM 929 CA CYS A 58 -4.358 5.353 -0.714 1.00 0.00 C ATOM 930 C CYS A 58 -4.850 6.789 -0.536 1.00 0.00 C ATOM 931 O CYS A 58 -5.683 7.066 0.327 1.00 0.00 O ATOM 932 CB CYS A 58 -3.088 5.118 0.098 1.00 0.00 C ATOM 933 SG CYS A 58 -2.441 3.438 -0.046 1.00 0.00 S ATOM 0 H CYS A 58 -3.142 4.853 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.141 4.688 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.323 5.823 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.292 5.331 1.147 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.751 3.331 -1.143 1.00 0.00 H new ATOM 939 N ARG A 59 -4.349 7.691 -1.369 1.00 0.00 N ATOM 940 CA ARG A 59 -4.767 9.088 -1.331 1.00 0.00 C ATOM 941 C ARG A 59 -6.254 9.210 -1.661 1.00 0.00 C ATOM 942 O ARG A 59 -6.985 9.954 -1.012 1.00 0.00 O ATOM 943 CB ARG A 59 -3.932 9.914 -2.314 1.00 0.00 C ATOM 944 CG ARG A 59 -4.289 11.392 -2.356 1.00 0.00 C ATOM 945 CD ARG A 59 -3.432 12.129 -3.371 1.00 0.00 C ATOM 946 NE ARG A 59 -3.848 13.518 -3.547 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.896 14.135 -4.728 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.534 13.495 -5.834 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.293 15.396 -4.798 1.00 0.00 N ATOM 0 H ARG A 59 -3.650 7.480 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.606 9.474 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.879 9.815 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.051 9.496 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.342 11.509 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.149 11.832 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.390 12.102 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.484 11.613 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.118 14.047 -2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.217 12.527 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.573 13.972 -6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.562 15.894 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.330 15.870 -5.701 1.00 0.00 H new ATOM 963 N ALA A 60 -6.698 8.457 -2.661 1.00 0.00 N ATOM 964 CA ALA A 60 -8.097 8.480 -3.072 1.00 0.00 C ATOM 965 C ALA A 60 -8.970 7.705 -2.089 1.00 0.00 C ATOM 966 O ALA A 60 -10.163 7.979 -1.943 1.00 0.00 O ATOM 967 CB ALA A 60 -8.241 7.912 -4.475 1.00 0.00 C ATOM 0 H ALA A 60 -6.110 7.823 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.435 9.516 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.290 7.934 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.655 8.511 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.882 6.883 -4.490 1.00 0.00 H new ATOM 973 N SER A 61 -8.369 6.740 -1.410 1.00 0.00 N ATOM 974 CA SER A 61 -9.089 5.935 -0.436 1.00 0.00 C ATOM 975 C SER A 61 -9.354 6.731 0.838 1.00 0.00 C ATOM 976 O SER A 61 -10.400 6.578 1.466 1.00 0.00 O ATOM 977 CB SER A 61 -8.308 4.660 -0.127 1.00 0.00 C ATOM 978 OG SER A 61 -8.077 3.917 -1.311 1.00 0.00 O ATOM 0 H SER A 61 -7.384 6.495 -1.516 1.00 0.00 H new ATOM 0 HA SER A 61 -10.053 5.657 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.357 4.914 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.862 4.052 0.588 1.00 0.00 H new ATOM 0 HG SER A 61 -7.470 4.416 -1.897 1.00 0.00 H new ATOM 984 N LEU A 62 -8.417 7.608 1.200 1.00 0.00 N ATOM 985 CA LEU A 62 -8.589 8.481 2.362 1.00 0.00 C ATOM 986 C LEU A 62 -9.651 9.542 2.096 1.00 0.00 C ATOM 987 O LEU A 62 -10.107 10.221 3.015 1.00 0.00 O ATOM 988 CB LEU A 62 -7.267 9.149 2.745 1.00 0.00 C ATOM 989 CG LEU A 62 -6.260 8.242 3.458 1.00 0.00 C ATOM 990 CD1 LEU A 62 -4.949 8.978 3.679 1.00 0.00 C ATOM 991 CD2 LEU A 62 -6.828 7.758 4.785 1.00 0.00 C ATOM 0 H LEU A 62 -7.533 7.733 0.707 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.919 7.860 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.801 9.541 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.483 10.002 3.389 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.068 7.374 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.244 8.320 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.535 9.281 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.127 9.862 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.100 7.115 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.046 8.615 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.745 7.197 4.605 1.00 0.00 H new ATOM 1003 N MET A 63 -10.039 9.679 0.835 1.00 0.00 N ATOM 1004 CA MET A 63 -11.109 10.593 0.461 1.00 0.00 C ATOM 1005 C MET A 63 -12.462 9.935 0.696 1.00 0.00 C ATOM 1006 O MET A 63 -13.496 10.600 0.712 1.00 0.00 O ATOM 1007 CB MET A 63 -10.981 11.000 -1.008 1.00 0.00 C ATOM 1008 CG MET A 63 -9.705 11.758 -1.331 1.00 0.00 C ATOM 1009 SD MET A 63 -9.584 12.188 -3.080 1.00 0.00 S ATOM 1010 CE MET A 63 -8.015 13.051 -3.107 1.00 0.00 C ATOM 0 H MET A 63 -9.628 9.168 0.054 1.00 0.00 H new ATOM 0 HA MET A 63 -11.030 11.487 1.080 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.026 10.104 -1.628 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.837 11.618 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.665 12.668 -0.732 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.844 11.152 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.551 12.931 -4.086 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.179 14.110 -2.910 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.359 12.637 -2.341 1.00 0.00 H new ATOM 1020 N GLY A 64 -12.444 8.620 0.880 1.00 0.00 N ATOM 1021 CA GLY A 64 -13.668 7.883 1.106 1.00 0.00 C ATOM 1022 C GLY A 64 -14.326 7.453 -0.189 1.00 0.00 C ATOM 1023 O GLY A 64 -15.428 6.909 -0.179 1.00 0.00 O ATOM 0 H GLY A 64 -11.598 8.051 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.453 7.003 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.362 8.501 1.676 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.653 7.695 -1.308 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.198 7.342 -2.614 1.00 0.00 C ATOM 1029 C ASP A 65 -13.945 5.874 -2.928 1.00 0.00 C ATOM 1030 O ASP A 65 -14.804 5.192 -3.486 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.604 8.224 -3.715 1.00 0.00 C ATOM 1032 CG ASP A 65 -14.059 9.666 -3.611 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -15.277 9.921 -3.727 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.201 10.553 -3.433 1.00 0.00 O ATOM 0 H ASP A 65 -12.732 8.133 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.274 7.511 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.516 8.185 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.889 7.826 -4.689 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.766 5.391 -2.568 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.428 3.991 -2.772 1.00 0.00 C ATOM 1041 C VAL A 66 -12.830 3.180 -1.545 1.00 0.00 C ATOM 1042 O VAL A 66 -12.414 3.481 -0.427 1.00 0.00 O ATOM 1043 CB VAL A 66 -10.925 3.800 -3.056 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.623 2.350 -3.392 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.469 4.716 -4.183 1.00 0.00 C ATOM 0 H VAL A 66 -12.029 5.946 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.978 3.639 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.372 4.066 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.557 2.237 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.906 1.715 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.189 2.056 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.405 4.565 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.030 4.486 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.645 5.754 -3.902 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.641 2.153 -1.756 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.229 1.409 -0.653 1.00 0.00 C ATOM 1057 C ALA A 67 -13.450 0.138 -0.321 1.00 0.00 C ATOM 1058 O ALA A 67 -13.591 -0.880 -1.000 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.677 1.070 -0.967 1.00 0.00 C ATOM 0 H ALA A 67 -13.906 1.816 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.184 2.050 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.109 0.513 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.241 1.990 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.721 0.463 -1.872 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.606 0.234 0.704 1.00 0.00 N ATOM 1066 CA GLY A 68 -11.988 -0.938 1.319 1.00 0.00 C ATOM 1067 C GLY A 68 -11.314 -1.895 0.350 1.00 0.00 C ATOM 1068 O GLY A 68 -10.191 -1.656 -0.097 1.00 0.00 O ATOM 0 H GLY A 68 -12.333 1.120 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.249 -0.600 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.752 -1.484 1.872 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.006 -2.985 0.033 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.431 -4.070 -0.760 1.00 0.00 C ATOM 1074 C GLU A 69 -11.033 -3.618 -2.160 1.00 0.00 C ATOM 1075 O GLU A 69 -10.108 -4.175 -2.753 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.403 -5.243 -0.833 1.00 0.00 C ATOM 1077 CG GLU A 69 -12.513 -6.007 0.476 1.00 0.00 C ATOM 1078 CD GLU A 69 -13.502 -7.146 0.409 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.296 -8.078 -0.396 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -14.490 -7.121 1.169 1.00 0.00 O ATOM 0 H GLU A 69 -12.974 -3.142 0.315 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.518 -4.390 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.389 -4.873 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.081 -5.926 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.532 -6.399 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.811 -5.320 1.268 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.718 -2.606 -2.680 1.00 0.00 N ATOM 1088 CA ILE A 70 -11.357 -2.035 -3.971 1.00 0.00 C ATOM 1089 C ILE A 70 -9.921 -1.516 -3.920 1.00 0.00 C ATOM 1090 O ILE A 70 -9.120 -1.767 -4.821 1.00 0.00 O ATOM 1091 CB ILE A 70 -12.308 -0.883 -4.371 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.762 -1.369 -4.370 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -11.930 -0.332 -5.740 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -14.773 -0.272 -4.635 1.00 0.00 C ATOM 0 H ILE A 70 -12.521 -2.167 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.445 -2.821 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.210 -0.081 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.876 -2.146 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.981 -1.828 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.609 0.478 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -10.908 0.046 -5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.002 -1.125 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.779 -0.692 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.688 0.495 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.581 0.172 -5.612 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.599 -0.820 -2.835 1.00 0.00 N ATOM 1107 CA ALA A 71 -8.255 -0.303 -2.622 1.00 0.00 C ATOM 1108 C ALA A 71 -7.281 -1.438 -2.351 1.00 0.00 C ATOM 1109 O ALA A 71 -6.136 -1.400 -2.791 1.00 0.00 O ATOM 1110 CB ALA A 71 -8.238 0.684 -1.466 1.00 0.00 C ATOM 0 H ALA A 71 -10.256 -0.601 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.944 0.215 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.225 1.059 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.905 1.517 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.572 0.185 -0.556 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.752 -2.454 -1.635 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.920 -3.601 -1.291 1.00 0.00 C ATOM 1118 C ARG A 72 -6.406 -4.297 -2.546 1.00 0.00 C ATOM 1119 O ARG A 72 -5.198 -4.406 -2.748 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.698 -4.594 -0.418 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.046 -5.969 -0.329 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.820 -6.907 0.584 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.566 -8.314 0.261 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.170 -9.237 1.142 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -6.920 -8.902 2.406 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.018 -10.500 0.757 1.00 0.00 N ATOM 0 H ARG A 72 -8.707 -2.506 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.064 -3.234 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.797 -4.182 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.706 -4.704 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.981 -6.405 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.026 -5.864 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.542 -6.716 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.887 -6.701 0.497 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.701 -8.610 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.030 -7.934 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.618 -9.613 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.204 -10.764 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.716 -11.205 1.429 1.00 0.00 H new ATOM 1140 N THR A 73 -7.323 -4.742 -3.395 1.00 0.00 N ATOM 1141 CA THR A 73 -6.960 -5.490 -4.590 1.00 0.00 C ATOM 1142 C THR A 73 -6.114 -4.642 -5.544 1.00 0.00 C ATOM 1143 O THR A 73 -5.182 -5.146 -6.177 1.00 0.00 O ATOM 1144 CB THR A 73 -8.218 -5.996 -5.314 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.072 -6.669 -4.377 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.853 -6.949 -6.441 1.00 0.00 C ATOM 0 H THR A 73 -8.326 -4.597 -3.277 1.00 0.00 H new ATOM 0 HA THR A 73 -6.363 -6.345 -4.274 1.00 0.00 H new ATOM 0 HB THR A 73 -8.737 -5.138 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.592 -6.007 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.761 -7.292 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.219 -6.434 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.317 -7.806 -6.034 1.00 0.00 H new ATOM 1154 N ALA A 74 -6.430 -3.353 -5.627 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.663 -2.434 -6.456 1.00 0.00 C ATOM 1156 C ALA A 74 -4.251 -2.256 -5.898 1.00 0.00 C ATOM 1157 O ALA A 74 -3.274 -2.237 -6.647 1.00 0.00 O ATOM 1158 CB ALA A 74 -6.373 -1.093 -6.555 1.00 0.00 C ATOM 0 H ALA A 74 -7.211 -2.924 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.582 -2.857 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.788 -0.417 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.358 -1.235 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.483 -0.665 -5.559 1.00 0.00 H new ATOM 1164 N PHE A 75 -4.154 -2.137 -4.578 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.864 -2.009 -3.910 1.00 0.00 C ATOM 1166 C PHE A 75 -2.030 -3.265 -4.132 1.00 0.00 C ATOM 1167 O PHE A 75 -0.817 -3.188 -4.325 1.00 0.00 O ATOM 1168 CB PHE A 75 -3.057 -1.763 -2.410 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.771 -1.533 -1.662 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -1.150 -0.296 -1.700 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.184 -2.552 -0.925 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.031 -0.078 -1.019 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.002 -2.338 -0.243 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.606 -1.100 -0.291 1.00 0.00 C ATOM 0 H PHE A 75 -4.956 -2.127 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.338 -1.155 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.706 -0.898 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.572 -2.619 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.594 0.507 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.656 -3.522 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.505 0.892 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.446 -3.139 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.531 -0.931 0.241 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.693 -4.418 -4.105 1.00 0.00 N ATOM 1185 CA VAL A 76 -2.035 -5.694 -4.355 1.00 0.00 C ATOM 1186 C VAL A 76 -1.429 -5.720 -5.755 1.00 0.00 C ATOM 1187 O VAL A 76 -0.338 -6.243 -5.953 1.00 0.00 O ATOM 1188 CB VAL A 76 -3.011 -6.884 -4.186 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.343 -8.201 -4.555 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.530 -6.945 -2.759 1.00 0.00 C ATOM 0 H VAL A 76 -3.692 -4.493 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.241 -5.798 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.850 -6.726 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.053 -9.018 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.016 -8.165 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.480 -8.365 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.215 -7.787 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.693 -7.073 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.055 -6.019 -2.523 1.00 0.00 H new ATOM 1200 N ALA A 77 -2.127 -5.126 -6.717 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.635 -5.063 -8.088 1.00 0.00 C ATOM 1202 C ALA A 77 -0.358 -4.228 -8.172 1.00 0.00 C ATOM 1203 O ALA A 77 0.570 -4.561 -8.913 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.704 -4.497 -9.011 1.00 0.00 C ATOM 0 H ALA A 77 -3.034 -4.682 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.398 -6.077 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.320 -4.457 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.587 -5.136 -8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.972 -3.492 -8.684 1.00 0.00 H new ATOM 1210 N ALA A 78 -0.315 -3.152 -7.394 1.00 0.00 N ATOM 1211 CA ALA A 78 0.850 -2.273 -7.359 1.00 0.00 C ATOM 1212 C ALA A 78 2.010 -2.933 -6.620 1.00 0.00 C ATOM 1213 O ALA A 78 3.141 -2.953 -7.106 1.00 0.00 O ATOM 1214 CB ALA A 78 0.491 -0.947 -6.706 1.00 0.00 C ATOM 0 H ALA A 78 -1.075 -2.866 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 78 1.166 -2.085 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.369 -0.301 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.302 -0.464 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.149 -1.124 -5.687 1.00 0.00 H new ATOM 1220 N SER A 79 1.721 -3.486 -5.447 1.00 0.00 N ATOM 1221 CA SER A 79 2.738 -4.151 -4.638 1.00 0.00 C ATOM 1222 C SER A 79 3.221 -5.433 -5.320 1.00 0.00 C ATOM 1223 O SER A 79 4.329 -5.905 -5.066 1.00 0.00 O ATOM 1224 CB SER A 79 2.185 -4.441 -3.242 1.00 0.00 C ATOM 1225 OG SER A 79 0.872 -4.963 -3.314 1.00 0.00 O ATOM 0 H SER A 79 0.788 -3.487 -5.034 1.00 0.00 H new ATOM 0 HA SER A 79 3.598 -3.489 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.835 -5.151 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.184 -3.526 -2.650 1.00 0.00 H new ATOM 0 HG SER A 79 0.230 -4.225 -3.377 1.00 0.00 H new ATOM 1231 N ARG A 80 2.381 -5.986 -6.189 1.00 0.00 N ATOM 1232 CA ARG A 80 2.748 -7.137 -7.009 1.00 0.00 C ATOM 1233 C ARG A 80 3.950 -6.806 -7.886 1.00 0.00 C ATOM 1234 O ARG A 80 4.904 -7.580 -7.974 1.00 0.00 O ATOM 1235 CB ARG A 80 1.564 -7.541 -7.889 1.00 0.00 C ATOM 1236 CG ARG A 80 1.875 -8.633 -8.899 1.00 0.00 C ATOM 1237 CD ARG A 80 0.736 -8.792 -9.893 1.00 0.00 C ATOM 1238 NE ARG A 80 0.466 -7.544 -10.612 1.00 0.00 N ATOM 1239 CZ ARG A 80 -0.704 -7.245 -11.178 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -1.712 -8.100 -11.122 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -0.863 -6.089 -11.809 1.00 0.00 N ATOM 0 H ARG A 80 1.430 -5.651 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 80 3.013 -7.965 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.749 -7.877 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.207 -6.660 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.796 -8.391 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.045 -9.576 -8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.983 -9.577 -10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.164 -9.111 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 80 1.220 -6.861 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.597 -8.994 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.604 -7.866 -11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.089 -5.426 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.759 -5.863 -12.241 1.00 0.00 H new ATOM 1255 N GLN A 81 3.895 -5.635 -8.512 1.00 0.00 N ATOM 1256 CA GLN A 81 4.946 -5.183 -9.417 1.00 0.00 C ATOM 1257 C GLN A 81 6.268 -5.028 -8.668 1.00 0.00 C ATOM 1258 O GLN A 81 7.336 -5.313 -9.205 1.00 0.00 O ATOM 1259 CB GLN A 81 4.530 -3.856 -10.060 1.00 0.00 C ATOM 1260 CG GLN A 81 5.503 -3.333 -11.106 1.00 0.00 C ATOM 1261 CD GLN A 81 5.002 -2.066 -11.774 1.00 0.00 C ATOM 1262 OE1 GLN A 81 3.796 -1.856 -11.915 1.00 0.00 O ATOM 1263 NE2 GLN A 81 5.921 -1.213 -12.195 1.00 0.00 N ATOM 0 H GLN A 81 3.124 -4.975 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 81 5.089 -5.928 -10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.551 -3.981 -10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.419 -3.106 -9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.467 -3.137 -10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.667 -4.100 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.910 -1.422 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.640 -0.347 -12.654 1.00 0.00 H new ATOM 1272 N ALA A 82 6.180 -4.605 -7.415 1.00 0.00 N ATOM 1273 CA ALA A 82 7.361 -4.414 -6.583 1.00 0.00 C ATOM 1274 C ALA A 82 7.735 -5.699 -5.844 1.00 0.00 C ATOM 1275 O ALA A 82 8.748 -5.751 -5.151 1.00 0.00 O ATOM 1276 CB ALA A 82 7.117 -3.285 -5.595 1.00 0.00 C ATOM 0 H ALA A 82 5.299 -4.386 -6.950 1.00 0.00 H new ATOM 0 HA ALA A 82 8.197 -4.151 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.003 -3.146 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.907 -2.364 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.266 -3.534 -4.961 1.00 0.00 H new ATOM 1282 N HIS A 83 6.907 -6.730 -6.011 1.00 0.00 N ATOM 1283 CA HIS A 83 7.104 -8.024 -5.351 1.00 0.00 C ATOM 1284 C HIS A 83 7.088 -7.881 -3.833 1.00 0.00 C ATOM 1285 O HIS A 83 8.034 -8.263 -3.143 1.00 0.00 O ATOM 1286 CB HIS A 83 8.399 -8.704 -5.818 1.00 0.00 C ATOM 1287 CG HIS A 83 8.333 -9.204 -7.229 1.00 0.00 C ATOM 1288 ND1 HIS A 83 8.035 -10.512 -7.553 1.00 0.00 N ATOM 1289 CD2 HIS A 83 8.524 -8.563 -8.406 1.00 0.00 C ATOM 1290 CE1 HIS A 83 8.043 -10.650 -8.865 1.00 0.00 C ATOM 1291 NE2 HIS A 83 8.334 -9.484 -9.404 1.00 0.00 N ATOM 0 H HIS A 83 6.080 -6.693 -6.607 1.00 0.00 H new ATOM 0 HA HIS A 83 6.269 -8.662 -5.639 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.224 -7.997 -5.729 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.622 -9.539 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.778 -7.521 -8.535 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.845 -11.564 -9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.406 -9.296 -10.404 1.00 0.00 H new ATOM 1300 N CYS A 84 5.999 -7.329 -3.325 1.00 0.00 N ATOM 1301 CA CYS A 84 5.798 -7.183 -1.896 1.00 0.00 C ATOM 1302 C CYS A 84 4.363 -7.567 -1.549 1.00 0.00 C ATOM 1303 O CYS A 84 3.489 -6.713 -1.420 1.00 0.00 O ATOM 1304 CB CYS A 84 6.097 -5.742 -1.465 1.00 0.00 C ATOM 1305 SG CYS A 84 5.935 -5.438 0.310 1.00 0.00 S ATOM 0 H CYS A 84 5.231 -6.970 -3.892 1.00 0.00 H new ATOM 0 HA CYS A 84 6.480 -7.843 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.111 -5.488 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.424 -5.070 -1.998 1.00 0.00 H new ATOM 0 HG CYS A 84 6.835 -6.122 0.951 1.00 0.00 H new ATOM 1311 N LEU A 85 4.122 -8.864 -1.441 1.00 0.00 N ATOM 1312 CA LEU A 85 2.774 -9.377 -1.248 1.00 0.00 C ATOM 1313 C LEU A 85 2.705 -10.367 -0.096 1.00 0.00 C ATOM 1314 O LEU A 85 3.563 -11.239 0.045 1.00 0.00 O ATOM 1315 CB LEU A 85 2.280 -10.070 -2.521 1.00 0.00 C ATOM 1316 CG LEU A 85 2.080 -9.163 -3.734 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.695 -9.986 -4.954 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.018 -8.119 -3.441 1.00 0.00 C ATOM 0 H LEU A 85 4.844 -9.583 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 85 2.139 -8.523 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.993 -10.851 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.334 -10.564 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 85 3.019 -8.652 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.556 -9.325 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.486 -10.703 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.766 -10.521 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.886 -7.480 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.075 -8.614 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.329 -7.512 -2.591 1.00 0.00 H new ATOM 1330 N MET A 86 1.676 -10.219 0.722 1.00 0.00 N ATOM 1331 CA MET A 86 1.345 -11.215 1.729 1.00 0.00 C ATOM 1332 C MET A 86 0.003 -11.834 1.386 1.00 0.00 C ATOM 1333 O MET A 86 -1.034 -11.175 1.473 1.00 0.00 O ATOM 1334 CB MET A 86 1.300 -10.607 3.132 1.00 0.00 C ATOM 1335 CG MET A 86 2.668 -10.288 3.709 1.00 0.00 C ATOM 1336 SD MET A 86 3.694 -11.756 3.932 1.00 0.00 S ATOM 1337 CE MET A 86 2.688 -12.714 5.066 1.00 0.00 C ATOM 0 H MET A 86 1.051 -9.413 0.708 1.00 0.00 H new ATOM 0 HA MET A 86 2.123 -11.979 1.730 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.707 -9.693 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.787 -11.298 3.801 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.181 -9.589 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.544 -9.788 4.669 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.334 -13.246 5.765 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.027 -12.047 5.619 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.091 -13.433 4.505 1.00 0.00 H new ATOM 1347 N GLU A 87 0.032 -13.087 0.968 1.00 0.00 N ATOM 1348 CA GLU A 87 -1.172 -13.767 0.525 1.00 0.00 C ATOM 1349 C GLU A 87 -2.037 -14.170 1.710 1.00 0.00 C ATOM 1350 O GLU A 87 -1.529 -14.544 2.770 1.00 0.00 O ATOM 1351 CB GLU A 87 -0.803 -14.986 -0.317 1.00 0.00 C ATOM 1352 CG GLU A 87 -0.076 -14.622 -1.600 1.00 0.00 C ATOM 1353 CD GLU A 87 0.433 -15.831 -2.354 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -0.382 -16.536 -2.981 1.00 0.00 O ATOM 1355 OE2 GLU A 87 1.655 -16.068 -2.342 1.00 0.00 O ATOM 0 H GLU A 87 0.878 -13.655 0.926 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.752 -13.080 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.175 -15.652 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.710 -15.538 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.749 -14.056 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.764 -13.969 -1.363 1.00 0.00 H new ATOM 1362 N ASP A 88 -3.346 -14.075 1.519 1.00 0.00 N ATOM 1363 CA ASP A 88 -4.307 -14.414 2.560 1.00 0.00 C ATOM 1364 C ASP A 88 -4.252 -15.909 2.844 1.00 0.00 C ATOM 1365 O ASP A 88 -4.014 -16.709 1.937 1.00 0.00 O ATOM 1366 CB ASP A 88 -5.720 -14.016 2.118 1.00 0.00 C ATOM 1367 CG ASP A 88 -6.475 -13.249 3.185 1.00 0.00 C ATOM 1368 OD1 ASP A 88 -6.713 -13.813 4.272 1.00 0.00 O ATOM 1369 OD2 ASP A 88 -6.853 -12.078 2.928 1.00 0.00 O ATOM 0 H ASP A 88 -3.769 -13.763 0.645 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.055 -13.869 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.656 -13.407 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.281 -14.914 1.857 1.00 0.00 H new ATOM 1374 N LYS A 89 -4.491 -16.294 4.092 1.00 0.00 N ATOM 1375 CA LYS A 89 -4.397 -17.699 4.482 1.00 0.00 C ATOM 1376 C LYS A 89 -5.630 -18.479 4.037 1.00 0.00 C ATOM 1377 O LYS A 89 -5.842 -19.621 4.440 1.00 0.00 O ATOM 1378 CB LYS A 89 -4.190 -17.840 5.993 1.00 0.00 C ATOM 1379 CG LYS A 89 -2.872 -17.257 6.481 1.00 0.00 C ATOM 1380 CD LYS A 89 -2.561 -17.688 7.904 1.00 0.00 C ATOM 1381 CE LYS A 89 -1.243 -17.103 8.389 1.00 0.00 C ATOM 1382 NZ LYS A 89 -0.834 -17.675 9.698 1.00 0.00 N ATOM 0 H LYS A 89 -4.750 -15.660 4.848 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.528 -18.121 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.011 -17.346 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.233 -18.896 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.066 -17.575 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.914 -16.169 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.367 -17.370 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.518 -18.776 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.466 -17.296 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.337 -16.021 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.068 -17.252 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.564 -17.470 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.720 -18.705 9.606 1.00 0.00 H new ATOM 1396 N ALA A 90 -6.439 -17.857 3.195 1.00 0.00 N ATOM 1397 CA ALA A 90 -7.576 -18.529 2.591 1.00 0.00 C ATOM 1398 C ALA A 90 -7.126 -19.302 1.357 1.00 0.00 C ATOM 1399 O ALA A 90 -7.858 -20.144 0.834 1.00 0.00 O ATOM 1400 CB ALA A 90 -8.657 -17.521 2.229 1.00 0.00 C ATOM 0 H ALA A 90 -6.328 -16.883 2.914 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.995 -19.233 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.502 -18.040 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.988 -17.003 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.256 -16.796 1.521 1.00 0.00 H new ATOM 1406 N GLU A 91 -5.910 -19.014 0.906 1.00 0.00 N ATOM 1407 CA GLU A 91 -5.348 -19.661 -0.270 1.00 0.00 C ATOM 1408 C GLU A 91 -4.401 -20.788 0.131 1.00 0.00 C ATOM 1409 O GLU A 91 -3.278 -20.533 0.568 1.00 0.00 O ATOM 1410 CB GLU A 91 -4.604 -18.640 -1.129 1.00 0.00 C ATOM 1411 CG GLU A 91 -5.483 -17.507 -1.633 1.00 0.00 C ATOM 1412 CD GLU A 91 -4.731 -16.550 -2.531 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -4.310 -16.972 -3.630 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -4.552 -15.377 -2.146 1.00 0.00 O ATOM 0 H GLU A 91 -5.291 -18.330 1.343 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.168 -20.086 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.783 -18.220 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.161 -19.152 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.330 -17.923 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.889 -16.960 -0.782 1.00 0.00 H new ATOM 1421 N ALA A 92 -4.875 -22.025 -0.016 1.00 0.00 N ATOM 1422 CA ALA A 92 -4.099 -23.223 0.317 1.00 0.00 C ATOM 1423 C ALA A 92 -3.502 -23.146 1.724 1.00 0.00 C ATOM 1424 O ALA A 92 -2.290 -22.998 1.890 1.00 0.00 O ATOM 1425 CB ALA A 92 -3.009 -23.463 -0.720 1.00 0.00 C ATOM 0 H ALA A 92 -5.810 -22.227 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.786 -24.069 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.445 -24.357 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.464 -23.599 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.338 -22.605 -0.747 1.00 0.00 H new ATOM 1431 N PRO A 93 -4.350 -23.239 2.760 1.00 0.00 N ATOM 1432 CA PRO A 93 -3.916 -23.132 4.148 1.00 0.00 C ATOM 1433 C PRO A 93 -3.485 -24.473 4.732 1.00 0.00 C ATOM 1434 O PRO A 93 -3.439 -25.485 4.030 1.00 0.00 O ATOM 1435 CB PRO A 93 -5.179 -22.639 4.841 1.00 0.00 C ATOM 1436 CG PRO A 93 -6.289 -23.288 4.087 1.00 0.00 C ATOM 1437 CD PRO A 93 -5.807 -23.454 2.666 1.00 0.00 C ATOM 0 HA PRO A 93 -3.047 -22.485 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.193 -22.924 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.255 -21.552 4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.542 -24.253 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.190 -22.676 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.041 -24.445 2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.276 -22.731 1.998 1.00 0.00 H new ATOM 1445 N ASN A 94 -3.174 -24.469 6.018 1.00 0.00 N ATOM 1446 CA ASN A 94 -2.840 -25.692 6.731 1.00 0.00 C ATOM 1447 C ASN A 94 -3.858 -25.929 7.834 1.00 0.00 C ATOM 1448 O ASN A 94 -4.069 -25.063 8.684 1.00 0.00 O ATOM 1449 CB ASN A 94 -1.430 -25.616 7.328 1.00 0.00 C ATOM 1450 CG ASN A 94 -0.341 -25.611 6.272 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -0.491 -26.200 5.201 1.00 0.00 O ATOM 1452 ND2 ASN A 94 0.766 -24.946 6.565 1.00 0.00 N ATOM 0 H ASN A 94 -3.146 -23.627 6.593 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.863 -26.522 6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.346 -24.714 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.278 -26.464 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.532 -24.909 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.853 -24.470 7.463 1.00 0.00 H new ATOM 1459 N THR A 95 -4.498 -27.087 7.808 1.00 0.00 N ATOM 1460 CA THR A 95 -5.498 -27.431 8.804 1.00 0.00 C ATOM 1461 C THR A 95 -4.849 -27.546 10.180 1.00 0.00 C ATOM 1462 O THR A 95 -5.364 -27.028 11.172 1.00 0.00 O ATOM 1463 CB THR A 95 -6.198 -28.754 8.441 1.00 0.00 C ATOM 1464 OG1 THR A 95 -6.673 -28.687 7.090 1.00 0.00 O ATOM 1465 CG2 THR A 95 -7.366 -29.038 9.378 1.00 0.00 C ATOM 0 H THR A 95 -4.341 -27.808 7.104 1.00 0.00 H new ATOM 0 HA THR A 95 -6.247 -26.639 8.826 1.00 0.00 H new ATOM 0 HB THR A 95 -5.475 -29.563 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.117 -29.529 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.839 -29.978 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.001 -29.109 10.403 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.094 -28.230 9.307 1.00 0.00 H new ATOM 1473 N ILE A 96 -3.701 -28.204 10.223 1.00 0.00 N ATOM 1474 CA ILE A 96 -2.949 -28.337 11.459 1.00 0.00 C ATOM 1475 C ILE A 96 -1.938 -27.195 11.581 1.00 0.00 C ATOM 1476 O ILE A 96 -1.162 -26.935 10.660 1.00 0.00 O ATOM 1477 CB ILE A 96 -2.232 -29.709 11.545 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -1.365 -29.789 12.807 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -1.396 -29.969 10.298 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -0.651 -31.114 12.975 1.00 0.00 C ATOM 0 H ILE A 96 -3.270 -28.654 9.415 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.652 -28.282 12.290 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.995 -30.485 11.604 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.625 -28.989 12.779 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.993 -29.612 13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.904 -30.938 10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.042 -29.968 9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.643 -29.188 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.058 -31.094 13.889 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.385 -31.918 13.036 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.005 -31.285 12.121 1.00 0.00 H new ATOM 1492 N ALA A 97 -1.962 -26.507 12.719 1.00 0.00 N ATOM 1493 CA ALA A 97 -1.086 -25.359 12.951 1.00 0.00 C ATOM 1494 C ALA A 97 0.374 -25.787 13.056 1.00 0.00 C ATOM 1495 O ALA A 97 1.285 -24.984 12.864 1.00 0.00 O ATOM 1496 CB ALA A 97 -1.512 -24.622 14.209 1.00 0.00 C ATOM 0 H ALA A 97 -2.581 -26.725 13.500 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.176 -24.688 12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.853 -23.769 14.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.538 -24.271 14.095 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.451 -25.296 15.064 1.00 0.00 H new ATOM 1502 N SER A 98 0.585 -27.059 13.359 1.00 0.00 N ATOM 1503 CA SER A 98 1.926 -27.612 13.452 1.00 0.00 C ATOM 1504 C SER A 98 2.317 -28.273 12.128 1.00 0.00 C ATOM 1505 O SER A 98 3.285 -29.032 12.056 1.00 0.00 O ATOM 1506 CB SER A 98 1.980 -28.628 14.593 1.00 0.00 C ATOM 1507 OG SER A 98 1.372 -28.102 15.765 1.00 0.00 O ATOM 0 H SER A 98 -0.160 -27.730 13.545 1.00 0.00 H new ATOM 0 HA SER A 98 2.634 -26.809 13.657 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.472 -29.545 14.294 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.017 -28.892 14.803 1.00 0.00 H new ATOM 0 HG SER A 98 1.415 -28.768 16.483 1.00 0.00 H new ATOM 1513 N GLY A 99 1.554 -27.969 11.082 1.00 0.00 N ATOM 1514 CA GLY A 99 1.794 -28.558 9.780 1.00 0.00 C ATOM 1515 C GLY A 99 3.001 -27.962 9.086 1.00 0.00 C ATOM 1516 O GLY A 99 2.945 -26.845 8.569 1.00 0.00 O ATOM 0 H GLY A 99 0.768 -27.320 11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.938 -29.633 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.913 -28.418 9.154 1.00 0.00 H new ATOM 1520 N SER A 100 4.098 -28.699 9.101 1.00 0.00 N ATOM 1521 CA SER A 100 5.332 -28.282 8.457 1.00 0.00 C ATOM 1522 C SER A 100 6.152 -29.516 8.109 1.00 0.00 C ATOM 1523 O SER A 100 6.255 -29.853 6.911 1.00 0.00 O ATOM 1524 CB SER A 100 6.138 -27.357 9.376 1.00 0.00 C ATOM 1525 OG SER A 100 5.348 -26.274 9.845 1.00 0.00 O ATOM 1526 OXT SER A 100 6.639 -30.180 9.048 1.00 0.00 O ATOM 0 H SER A 100 4.158 -29.607 9.562 1.00 0.00 H new ATOM 0 HA SER A 100 5.092 -27.730 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.518 -27.926 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.004 -26.971 8.838 1.00 0.00 H new ATOM 0 HG SER A 100 5.889 -25.703 10.429 1.00 0.00 H new TER 1532 SER A 100