USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HD1:sc= -0.63 K(o=-0.63,f=0.023) USER MOD Set 1.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot 180:sc= -0.0532 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ -143:sc= 0.179 (180deg=-0.11) USER MOD Set 3.2: A 4 SER OG : rot -110:sc= 0.346 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 64:sc= 0.7 USER MOD Single : A 5 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.24) USER MOD Single : A 6 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1.9) USER MOD Single : A 7 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.26) USER MOD Single : A 9 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.014) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.812 (180deg=-2.68!) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.03 USER MOD Single : A 27 GLN : amide:sc= -0.951 X(o=-0.95,f=-0.62) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.37) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.54 USER MOD Single : A 58 MET CE :methyl -166:sc= -4.44! (180deg=-5.27!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 64 THR OG1 : rot 78:sc= 0.466 USER MOD Single : A 73 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.7!) USER MOD Single : A 74 ASN : amide:sc= -0.965 K(o=-0.97,f=-3!) USER MOD Single : A 75 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 150:sc= -0.346 (180deg=-1.16!) USER MOD Single : A 86 MET CE :methyl -117:sc= -1.65 (180deg=-3.42!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.002 2.860 2.481 1.00 0.00 N ATOM 2 CA MET A 1 -22.314 4.167 1.845 1.00 0.00 C ATOM 3 C MET A 1 -22.748 5.198 2.883 1.00 0.00 C ATOM 4 O MET A 1 -22.429 6.380 2.768 1.00 0.00 O ATOM 5 CB MET A 1 -23.424 3.955 0.815 1.00 0.00 C ATOM 6 CG MET A 1 -22.909 3.637 -0.580 1.00 0.00 C ATOM 7 SD MET A 1 -23.958 4.315 -1.879 1.00 0.00 S ATOM 8 CE MET A 1 -24.433 2.822 -2.746 1.00 0.00 C ATOM 0 H1 MET A 1 -21.193 2.423 1.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.766 3.009 3.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.829 2.233 2.409 1.00 0.00 H new ATOM 0 HA MET A 1 -21.417 4.550 1.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.068 3.141 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.042 4.852 0.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.900 4.034 -0.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.841 2.556 -0.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.086 3.078 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.541 2.321 -3.123 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.961 2.157 -2.063 1.00 0.00 H new ATOM 20 N GLY A 2 -23.478 4.738 3.895 1.00 0.00 N ATOM 21 CA GLY A 2 -23.944 5.633 4.938 1.00 0.00 C ATOM 22 C GLY A 2 -23.220 5.419 6.253 1.00 0.00 C ATOM 23 O GLY A 2 -22.034 5.722 6.372 1.00 0.00 O ATOM 0 H GLY A 2 -23.754 3.763 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.806 6.665 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.014 5.486 5.088 1.00 0.00 H new ATOM 27 N SER A 3 -23.938 4.892 7.241 1.00 0.00 N ATOM 28 CA SER A 3 -23.356 4.638 8.554 1.00 0.00 C ATOM 29 C SER A 3 -22.897 3.189 8.674 1.00 0.00 C ATOM 30 O SER A 3 -23.118 2.537 9.695 1.00 0.00 O ATOM 31 CB SER A 3 -24.372 4.957 9.654 1.00 0.00 C ATOM 32 OG SER A 3 -25.335 3.925 9.775 1.00 0.00 O ATOM 0 H SER A 3 -24.921 4.633 7.157 1.00 0.00 H new ATOM 0 HA SER A 3 -22.487 5.286 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.854 5.089 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.871 5.900 9.430 1.00 0.00 H new ATOM 0 HG SER A 3 -24.893 3.097 10.058 1.00 0.00 H new ATOM 38 N SER A 4 -22.256 2.689 7.622 1.00 0.00 N ATOM 39 CA SER A 4 -21.763 1.316 7.608 1.00 0.00 C ATOM 40 C SER A 4 -20.768 1.082 8.740 1.00 0.00 C ATOM 41 O SER A 4 -19.956 1.952 9.055 1.00 0.00 O ATOM 42 CB SER A 4 -21.106 1.002 6.262 1.00 0.00 C ATOM 43 OG SER A 4 -21.566 1.882 5.251 1.00 0.00 O ATOM 0 H SER A 4 -22.066 3.214 6.768 1.00 0.00 H new ATOM 0 HA SER A 4 -22.613 0.650 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.023 1.084 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.324 -0.028 5.979 1.00 0.00 H new ATOM 0 HG SER A 4 -22.130 1.389 4.620 1.00 0.00 H new ATOM 49 N HIS A 5 -20.836 -0.097 9.347 1.00 0.00 N ATOM 50 CA HIS A 5 -19.942 -0.445 10.445 1.00 0.00 C ATOM 51 C HIS A 5 -18.750 -1.253 9.940 1.00 0.00 C ATOM 52 O HIS A 5 -18.561 -1.410 8.735 1.00 0.00 O ATOM 53 CB HIS A 5 -20.695 -1.239 11.513 1.00 0.00 C ATOM 54 CG HIS A 5 -20.286 -0.897 12.913 1.00 0.00 C ATOM 55 ND1 HIS A 5 -20.043 -1.850 13.881 1.00 0.00 N ATOM 56 CD2 HIS A 5 -20.075 0.301 13.508 1.00 0.00 C ATOM 57 CE1 HIS A 5 -19.703 -1.253 15.009 1.00 0.00 C ATOM 58 NE2 HIS A 5 -19.715 0.052 14.808 1.00 0.00 N ATOM 0 H HIS A 5 -21.501 -0.829 9.097 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.571 0.481 10.885 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.764 -1.059 11.401 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -20.532 -2.304 11.345 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.172 1.272 13.045 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.457 -1.748 15.937 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -19.492 0.761 15.507 1.00 0.00 H new ATOM 67 N HIS A 6 -17.951 -1.764 10.871 1.00 0.00 N ATOM 68 CA HIS A 6 -16.778 -2.556 10.521 1.00 0.00 C ATOM 69 C HIS A 6 -16.785 -3.894 11.255 1.00 0.00 C ATOM 70 O HIS A 6 -16.724 -3.940 12.483 1.00 0.00 O ATOM 71 CB HIS A 6 -15.499 -1.787 10.855 1.00 0.00 C ATOM 72 CG HIS A 6 -15.328 -0.535 10.050 1.00 0.00 C ATOM 73 ND1 HIS A 6 -16.232 0.507 10.079 1.00 0.00 N ATOM 74 CD2 HIS A 6 -14.350 -0.158 9.193 1.00 0.00 C ATOM 75 CE1 HIS A 6 -15.817 1.469 9.272 1.00 0.00 C ATOM 76 NE2 HIS A 6 -14.679 1.090 8.725 1.00 0.00 N ATOM 0 H HIS A 6 -18.095 -1.644 11.874 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.809 -2.749 9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.505 -1.531 11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.640 -2.437 10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.475 -0.732 8.927 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.324 2.405 9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.131 1.636 8.061 1.00 0.00 H new ATOM 85 N HIS A 7 -16.862 -4.980 10.493 1.00 0.00 N ATOM 86 CA HIS A 7 -16.878 -6.320 11.072 1.00 0.00 C ATOM 87 C HIS A 7 -16.885 -7.384 9.979 1.00 0.00 C ATOM 88 O HIS A 7 -16.200 -8.402 10.087 1.00 0.00 O ATOM 89 CB HIS A 7 -18.101 -6.493 11.975 1.00 0.00 C ATOM 90 CG HIS A 7 -19.383 -6.058 11.337 1.00 0.00 C ATOM 91 ND1 HIS A 7 -20.063 -6.827 10.415 1.00 0.00 N ATOM 92 CD2 HIS A 7 -20.112 -4.927 11.492 1.00 0.00 C ATOM 93 CE1 HIS A 7 -21.153 -6.187 10.031 1.00 0.00 C ATOM 94 NE2 HIS A 7 -21.207 -5.033 10.670 1.00 0.00 N ATOM 0 H HIS A 7 -16.914 -4.959 9.475 1.00 0.00 H new ATOM 0 HA HIS A 7 -15.974 -6.442 11.668 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.185 -7.541 12.262 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.949 -5.923 12.891 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -19.770 -7.746 10.082 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.876 -4.097 12.141 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.877 -6.547 9.315 1.00 0.00 H new ATOM 103 N HIS A 8 -17.661 -7.140 8.927 1.00 0.00 N ATOM 104 CA HIS A 8 -17.755 -8.079 7.815 1.00 0.00 C ATOM 105 C HIS A 8 -16.582 -7.906 6.856 1.00 0.00 C ATOM 106 O HIS A 8 -15.632 -7.178 7.147 1.00 0.00 O ATOM 107 CB HIS A 8 -19.075 -7.883 7.066 1.00 0.00 C ATOM 108 CG HIS A 8 -19.696 -9.163 6.603 1.00 0.00 C ATOM 109 ND1 HIS A 8 -20.211 -10.106 7.468 1.00 0.00 N ATOM 110 CD2 HIS A 8 -19.886 -9.656 5.356 1.00 0.00 C ATOM 111 CE1 HIS A 8 -20.690 -11.123 6.775 1.00 0.00 C ATOM 112 NE2 HIS A 8 -20.505 -10.875 5.490 1.00 0.00 N ATOM 0 H HIS A 8 -18.233 -6.302 8.822 1.00 0.00 H new ATOM 0 HA HIS A 8 -17.722 -9.090 8.221 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.778 -7.362 7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -18.902 -7.240 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.603 -9.180 4.429 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.154 -12.007 7.188 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.778 -11.489 4.722 1.00 0.00 H new ATOM 121 N HIS A 9 -16.653 -8.579 5.713 1.00 0.00 N ATOM 122 CA HIS A 9 -15.597 -8.500 4.711 1.00 0.00 C ATOM 123 C HIS A 9 -14.270 -8.995 5.280 1.00 0.00 C ATOM 124 O HIS A 9 -13.672 -8.350 6.140 1.00 0.00 O ATOM 125 CB HIS A 9 -15.445 -7.062 4.213 1.00 0.00 C ATOM 126 CG HIS A 9 -16.305 -6.745 3.029 1.00 0.00 C ATOM 127 ND1 HIS A 9 -16.154 -5.603 2.272 1.00 0.00 N ATOM 128 CD2 HIS A 9 -17.332 -7.430 2.471 1.00 0.00 C ATOM 129 CE1 HIS A 9 -17.051 -5.599 1.300 1.00 0.00 C ATOM 130 NE2 HIS A 9 -17.776 -6.696 1.399 1.00 0.00 N ATOM 0 H HIS A 9 -17.432 -9.186 5.457 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.876 -9.140 3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -15.691 -6.377 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -14.402 -6.885 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.728 -8.377 2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.169 -4.828 0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.543 -6.957 0.779 1.00 0.00 H new ATOM 139 N HIS A 10 -13.816 -10.146 4.791 1.00 0.00 N ATOM 140 CA HIS A 10 -12.561 -10.728 5.248 1.00 0.00 C ATOM 141 C HIS A 10 -11.943 -11.609 4.168 1.00 0.00 C ATOM 142 O HIS A 10 -10.896 -11.282 3.609 1.00 0.00 O ATOM 143 CB HIS A 10 -12.788 -11.546 6.521 1.00 0.00 C ATOM 144 CG HIS A 10 -11.663 -11.449 7.504 1.00 0.00 C ATOM 145 ND1 HIS A 10 -11.699 -10.626 8.611 1.00 0.00 N ATOM 146 CD2 HIS A 10 -10.464 -12.077 7.543 1.00 0.00 C ATOM 147 CE1 HIS A 10 -10.570 -10.753 9.287 1.00 0.00 C ATOM 148 NE2 HIS A 10 -9.806 -11.627 8.661 1.00 0.00 N ATOM 0 H HIS A 10 -14.300 -10.693 4.079 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.870 -9.913 5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -13.708 -11.210 7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.933 -12.592 6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.094 -12.797 6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.316 -10.230 10.197 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.876 -11.921 8.959 1.00 0.00 H new ATOM 157 N SER A 11 -12.599 -12.728 3.878 1.00 0.00 N ATOM 158 CA SER A 11 -12.114 -13.656 2.863 1.00 0.00 C ATOM 159 C SER A 11 -13.092 -14.809 2.669 1.00 0.00 C ATOM 160 O SER A 11 -13.973 -15.035 3.497 1.00 0.00 O ATOM 161 CB SER A 11 -10.738 -14.199 3.255 1.00 0.00 C ATOM 162 OG SER A 11 -10.194 -15.004 2.223 1.00 0.00 O ATOM 0 H SER A 11 -13.467 -13.014 4.331 1.00 0.00 H new ATOM 0 HA SER A 11 -12.028 -13.114 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.063 -13.370 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.822 -14.784 4.171 1.00 0.00 H new ATOM 0 HG SER A 11 -9.314 -15.337 2.497 1.00 0.00 H new ATOM 168 N SER A 12 -12.930 -15.537 1.569 1.00 0.00 N ATOM 169 CA SER A 12 -13.798 -16.669 1.264 1.00 0.00 C ATOM 170 C SER A 12 -15.251 -16.219 1.134 1.00 0.00 C ATOM 171 O SER A 12 -15.591 -15.081 1.457 1.00 0.00 O ATOM 172 CB SER A 12 -13.679 -17.736 2.353 1.00 0.00 C ATOM 173 OG SER A 12 -12.323 -17.973 2.689 1.00 0.00 O ATOM 0 H SER A 12 -12.205 -15.363 0.873 1.00 0.00 H new ATOM 0 HA SER A 12 -13.480 -17.094 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.226 -17.417 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.139 -18.663 2.010 1.00 0.00 H new ATOM 0 HG SER A 12 -12.274 -18.658 3.388 1.00 0.00 H new ATOM 179 N GLY A 13 -16.102 -17.121 0.659 1.00 0.00 N ATOM 180 CA GLY A 13 -17.509 -16.799 0.494 1.00 0.00 C ATOM 181 C GLY A 13 -17.893 -16.603 -0.959 1.00 0.00 C ATOM 182 O GLY A 13 -17.785 -17.525 -1.767 1.00 0.00 O ATOM 0 H GLY A 13 -15.844 -18.069 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.114 -17.599 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.739 -15.892 1.053 1.00 0.00 H new ATOM 186 N LEU A 14 -18.343 -15.397 -1.294 1.00 0.00 N ATOM 187 CA LEU A 14 -18.744 -15.083 -2.660 1.00 0.00 C ATOM 188 C LEU A 14 -18.703 -13.577 -2.905 1.00 0.00 C ATOM 189 O LEU A 14 -19.606 -13.014 -3.525 1.00 0.00 O ATOM 190 CB LEU A 14 -20.149 -15.623 -2.943 1.00 0.00 C ATOM 191 CG LEU A 14 -21.159 -15.469 -1.802 1.00 0.00 C ATOM 192 CD1 LEU A 14 -20.873 -16.471 -0.694 1.00 0.00 C ATOM 193 CD2 LEU A 14 -21.142 -14.048 -1.257 1.00 0.00 C ATOM 0 H LEU A 14 -18.439 -14.622 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.039 -15.563 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -20.543 -15.116 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -20.069 -16.681 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.154 -15.671 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -21.601 -16.345 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.942 -17.483 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -19.870 -16.303 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.867 -13.960 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.146 -13.815 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.401 -13.350 -2.053 1.00 0.00 H new ATOM 205 N VAL A 15 -17.650 -12.930 -2.414 1.00 0.00 N ATOM 206 CA VAL A 15 -17.491 -11.492 -2.580 1.00 0.00 C ATOM 207 C VAL A 15 -16.288 -11.169 -3.464 1.00 0.00 C ATOM 208 O VAL A 15 -15.178 -10.973 -2.969 1.00 0.00 O ATOM 209 CB VAL A 15 -17.318 -10.785 -1.223 1.00 0.00 C ATOM 210 CG1 VAL A 15 -18.640 -10.738 -0.474 1.00 0.00 C ATOM 211 CG2 VAL A 15 -16.249 -11.479 -0.392 1.00 0.00 C ATOM 0 H VAL A 15 -16.895 -13.381 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 15 -18.400 -11.128 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.994 -9.760 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.499 -10.235 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.374 -10.192 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.996 -11.753 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.141 -10.966 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.540 -12.515 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.300 -11.455 -0.927 1.00 0.00 H new ATOM 221 N PRO A 16 -16.495 -11.107 -4.791 1.00 0.00 N ATOM 222 CA PRO A 16 -15.422 -10.806 -5.744 1.00 0.00 C ATOM 223 C PRO A 16 -14.662 -9.535 -5.378 1.00 0.00 C ATOM 224 O PRO A 16 -13.461 -9.425 -5.625 1.00 0.00 O ATOM 225 CB PRO A 16 -16.163 -10.621 -7.070 1.00 0.00 C ATOM 226 CG PRO A 16 -17.413 -11.416 -6.919 1.00 0.00 C ATOM 227 CD PRO A 16 -17.789 -11.326 -5.467 1.00 0.00 C ATOM 0 HA PRO A 16 -14.668 -11.593 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.382 -9.570 -7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.566 -10.977 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.206 -11.020 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.255 -12.452 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.483 -10.506 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.274 -12.238 -5.120 1.00 0.00 H new ATOM 235 N ARG A 17 -15.370 -8.578 -4.788 1.00 0.00 N ATOM 236 CA ARG A 17 -14.763 -7.314 -4.387 1.00 0.00 C ATOM 237 C ARG A 17 -14.436 -7.316 -2.898 1.00 0.00 C ATOM 238 O ARG A 17 -15.311 -7.534 -2.059 1.00 0.00 O ATOM 239 CB ARG A 17 -15.697 -6.149 -4.714 1.00 0.00 C ATOM 240 CG ARG A 17 -15.800 -5.851 -6.202 1.00 0.00 C ATOM 241 CD ARG A 17 -17.021 -6.513 -6.818 1.00 0.00 C ATOM 242 NE ARG A 17 -17.185 -6.154 -8.225 1.00 0.00 N ATOM 243 CZ ARG A 17 -17.562 -4.949 -8.643 1.00 0.00 C ATOM 244 NH1 ARG A 17 -17.816 -3.984 -7.767 1.00 0.00 N ATOM 245 NH2 ARG A 17 -17.689 -4.705 -9.940 1.00 0.00 N ATOM 0 H ARG A 17 -16.365 -8.654 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.834 -7.193 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.691 -6.372 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.346 -5.256 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.852 -4.773 -6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.900 -6.202 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.931 -7.596 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.912 -6.220 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.999 -6.870 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.722 -4.165 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.105 -3.062 -8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.498 -5.442 -10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.978 -3.780 -10.259 1.00 0.00 H new ATOM 259 N GLY A 18 -13.170 -7.072 -2.573 1.00 0.00 N ATOM 260 CA GLY A 18 -12.751 -7.051 -1.185 1.00 0.00 C ATOM 261 C GLY A 18 -12.565 -5.641 -0.656 1.00 0.00 C ATOM 262 O GLY A 18 -13.393 -5.146 0.111 1.00 0.00 O ATOM 0 H GLY A 18 -12.427 -6.888 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.493 -7.569 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.815 -7.600 -1.083 1.00 0.00 H new ATOM 266 N SER A 19 -11.479 -4.996 -1.065 1.00 0.00 N ATOM 267 CA SER A 19 -11.188 -3.636 -0.629 1.00 0.00 C ATOM 268 C SER A 19 -11.490 -2.631 -1.735 1.00 0.00 C ATOM 269 O SER A 19 -10.649 -2.370 -2.595 1.00 0.00 O ATOM 270 CB SER A 19 -9.725 -3.517 -0.202 1.00 0.00 C ATOM 271 OG SER A 19 -8.913 -4.447 -0.897 1.00 0.00 O ATOM 0 H SER A 19 -10.785 -5.393 -1.698 1.00 0.00 H new ATOM 0 HA SER A 19 -11.828 -3.412 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.369 -2.505 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.641 -3.687 0.871 1.00 0.00 H new ATOM 0 HG SER A 19 -7.982 -4.349 -0.607 1.00 0.00 H new ATOM 277 N HIS A 20 -12.696 -2.072 -1.709 1.00 0.00 N ATOM 278 CA HIS A 20 -13.106 -1.095 -2.711 1.00 0.00 C ATOM 279 C HIS A 20 -13.234 0.295 -2.096 1.00 0.00 C ATOM 280 O HIS A 20 -14.058 1.102 -2.526 1.00 0.00 O ATOM 281 CB HIS A 20 -14.439 -1.511 -3.340 1.00 0.00 C ATOM 282 CG HIS A 20 -15.559 -1.618 -2.353 1.00 0.00 C ATOM 283 ND1 HIS A 20 -16.608 -0.724 -2.303 1.00 0.00 N ATOM 284 CD2 HIS A 20 -15.794 -2.523 -1.373 1.00 0.00 C ATOM 285 CE1 HIS A 20 -17.437 -1.073 -1.336 1.00 0.00 C ATOM 286 NE2 HIS A 20 -16.966 -2.162 -0.758 1.00 0.00 N ATOM 0 H HIS A 20 -13.405 -2.279 -1.006 1.00 0.00 H new ATOM 0 HA HIS A 20 -12.339 -1.060 -3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -14.711 -0.787 -4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -14.312 -2.472 -3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.174 -3.371 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -18.345 -0.556 -1.065 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -17.403 -2.656 0.020 1.00 0.00 H new ATOM 295 N MET A 21 -12.411 0.567 -1.088 1.00 0.00 N ATOM 296 CA MET A 21 -12.431 1.861 -0.415 1.00 0.00 C ATOM 297 C MET A 21 -11.159 2.648 -0.712 1.00 0.00 C ATOM 298 O MET A 21 -10.117 2.070 -1.021 1.00 0.00 O ATOM 299 CB MET A 21 -12.586 1.671 1.096 1.00 0.00 C ATOM 300 CG MET A 21 -13.863 0.946 1.489 1.00 0.00 C ATOM 301 SD MET A 21 -13.651 -0.843 1.567 1.00 0.00 S ATOM 302 CE MET A 21 -15.198 -1.334 2.323 1.00 0.00 C ATOM 0 H MET A 21 -11.723 -0.090 -0.720 1.00 0.00 H new ATOM 0 HA MET A 21 -13.283 2.426 -0.793 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.730 1.112 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.568 2.647 1.581 1.00 0.00 H new ATOM 0 HG2 MET A 21 -14.199 1.311 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.647 1.184 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.219 -2.418 2.438 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.290 -0.863 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 21 -16.028 -1.021 1.690 1.00 0.00 H new ATOM 312 N SER A 22 -11.249 3.970 -0.613 1.00 0.00 N ATOM 313 CA SER A 22 -10.104 4.838 -0.873 1.00 0.00 C ATOM 314 C SER A 22 -9.449 5.297 0.424 1.00 0.00 C ATOM 315 O SER A 22 -8.527 6.113 0.413 1.00 0.00 O ATOM 316 CB SER A 22 -10.522 6.046 -1.712 1.00 0.00 C ATOM 317 OG SER A 22 -11.643 5.740 -2.523 1.00 0.00 O ATOM 0 H SER A 22 -12.103 4.465 -0.355 1.00 0.00 H new ATOM 0 HA SER A 22 -9.371 4.258 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.761 6.883 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.690 6.362 -2.341 1.00 0.00 H new ATOM 0 HG SER A 22 -11.892 6.529 -3.048 1.00 0.00 H new ATOM 323 N ASP A 23 -9.931 4.769 1.534 1.00 0.00 N ATOM 324 CA ASP A 23 -9.400 5.116 2.848 1.00 0.00 C ATOM 325 C ASP A 23 -8.294 4.170 3.271 1.00 0.00 C ATOM 326 O ASP A 23 -7.545 4.433 4.210 1.00 0.00 O ATOM 327 CB ASP A 23 -10.513 5.095 3.886 1.00 0.00 C ATOM 328 CG ASP A 23 -11.655 6.028 3.537 1.00 0.00 C ATOM 329 OD1 ASP A 23 -11.382 7.133 3.023 1.00 0.00 O ATOM 330 OD2 ASP A 23 -12.822 5.653 3.775 1.00 0.00 O ATOM 0 H ASP A 23 -10.695 4.093 1.556 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.981 6.120 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.896 4.079 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.104 5.375 4.857 1.00 0.00 H new ATOM 335 N GLU A 24 -8.210 3.074 2.562 1.00 0.00 N ATOM 336 CA GLU A 24 -7.201 2.053 2.832 1.00 0.00 C ATOM 337 C GLU A 24 -5.802 2.577 2.562 1.00 0.00 C ATOM 338 O GLU A 24 -4.806 2.005 3.003 1.00 0.00 O ATOM 339 CB GLU A 24 -7.465 0.805 1.993 1.00 0.00 C ATOM 340 CG GLU A 24 -8.781 0.118 2.317 1.00 0.00 C ATOM 341 CD GLU A 24 -8.771 -1.358 1.970 1.00 0.00 C ATOM 342 OE1 GLU A 24 -7.930 -1.765 1.140 1.00 0.00 O ATOM 343 OE2 GLU A 24 -9.601 -2.106 2.526 1.00 0.00 O ATOM 0 H GLU A 24 -8.830 2.854 1.783 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.268 1.791 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.459 1.079 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.649 0.098 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.996 0.236 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.587 0.610 1.772 1.00 0.00 H new ATOM 350 N LYS A 25 -5.754 3.671 1.842 1.00 0.00 N ATOM 351 CA LYS A 25 -4.495 4.319 1.494 1.00 0.00 C ATOM 352 C LYS A 25 -4.130 5.378 2.529 1.00 0.00 C ATOM 353 O LYS A 25 -2.952 5.641 2.773 1.00 0.00 O ATOM 354 CB LYS A 25 -4.589 4.956 0.105 1.00 0.00 C ATOM 355 CG LYS A 25 -3.317 5.672 -0.323 1.00 0.00 C ATOM 356 CD LYS A 25 -3.545 7.166 -0.493 1.00 0.00 C ATOM 357 CE LYS A 25 -2.231 7.928 -0.547 1.00 0.00 C ATOM 358 NZ LYS A 25 -2.441 9.383 -0.778 1.00 0.00 N ATOM 0 H LYS A 25 -6.581 4.144 1.477 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.713 3.559 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.824 4.182 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.416 5.665 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.537 5.505 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.959 5.249 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.110 7.347 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.149 7.539 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.689 7.784 0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.608 7.521 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.765 9.927 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.293 9.600 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.411 9.641 -0.507 1.00 0.00 H new ATOM 372 N THR A 26 -5.148 5.986 3.135 1.00 0.00 N ATOM 373 CA THR A 26 -4.927 7.019 4.140 1.00 0.00 C ATOM 374 C THR A 26 -4.086 6.483 5.292 1.00 0.00 C ATOM 375 O THR A 26 -3.360 7.233 5.941 1.00 0.00 O ATOM 376 CB THR A 26 -6.254 7.580 4.651 1.00 0.00 C ATOM 377 OG1 THR A 26 -7.350 6.876 4.095 1.00 0.00 O ATOM 378 CG2 THR A 26 -6.437 9.048 4.322 1.00 0.00 C ATOM 0 H THR A 26 -6.129 5.781 2.947 1.00 0.00 H new ATOM 0 HA THR A 26 -4.377 7.834 3.669 1.00 0.00 H new ATOM 0 HB THR A 26 -6.224 7.460 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.430 6.000 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.396 9.391 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.634 9.626 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.413 9.184 3.241 1.00 0.00 H new ATOM 386 N GLN A 27 -4.161 5.178 5.526 1.00 0.00 N ATOM 387 CA GLN A 27 -3.372 4.559 6.581 1.00 0.00 C ATOM 388 C GLN A 27 -1.886 4.723 6.270 1.00 0.00 C ATOM 389 O GLN A 27 -1.041 4.699 7.165 1.00 0.00 O ATOM 390 CB GLN A 27 -3.722 3.076 6.715 1.00 0.00 C ATOM 391 CG GLN A 27 -3.198 2.440 7.992 1.00 0.00 C ATOM 392 CD GLN A 27 -2.648 1.044 7.764 1.00 0.00 C ATOM 393 OE1 GLN A 27 -3.383 0.059 7.819 1.00 0.00 O ATOM 394 NE2 GLN A 27 -1.347 0.956 7.506 1.00 0.00 N ATOM 0 H GLN A 27 -4.755 4.534 5.004 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.600 5.050 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.806 2.962 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.318 2.537 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.415 3.071 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.001 2.395 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.776 1.800 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.920 0.044 7.344 1.00 0.00 H new ATOM 403 N LEU A 28 -1.586 4.898 4.984 1.00 0.00 N ATOM 404 CA LEU A 28 -0.215 5.077 4.518 1.00 0.00 C ATOM 405 C LEU A 28 0.189 6.543 4.548 1.00 0.00 C ATOM 406 O LEU A 28 1.359 6.893 4.400 1.00 0.00 O ATOM 407 CB LEU A 28 -0.087 4.528 3.099 1.00 0.00 C ATOM 408 CG LEU A 28 1.314 4.587 2.478 1.00 0.00 C ATOM 409 CD1 LEU A 28 1.569 5.957 1.863 1.00 0.00 C ATOM 410 CD2 LEU A 28 2.383 4.248 3.508 1.00 0.00 C ATOM 0 H LEU A 28 -2.284 4.919 4.240 1.00 0.00 H new ATOM 0 HA LEU A 28 0.453 4.532 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.418 3.489 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.772 5.079 2.455 1.00 0.00 H new ATOM 0 HG LEU A 28 1.366 3.840 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.568 5.980 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.830 6.150 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.492 6.722 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.367 4.297 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.335 4.962 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.213 3.242 3.891 1.00 0.00 H new ATOM 422 N ILE A 29 -0.801 7.382 4.746 1.00 0.00 N ATOM 423 CA ILE A 29 -0.606 8.831 4.807 1.00 0.00 C ATOM 424 C ILE A 29 0.236 9.239 5.995 1.00 0.00 C ATOM 425 O ILE A 29 0.741 10.359 6.081 1.00 0.00 O ATOM 426 CB ILE A 29 -1.951 9.564 4.868 1.00 0.00 C ATOM 427 CG1 ILE A 29 -2.756 9.291 3.604 1.00 0.00 C ATOM 428 CG2 ILE A 29 -1.757 11.061 5.082 1.00 0.00 C ATOM 429 CD1 ILE A 29 -2.320 10.090 2.406 1.00 0.00 C ATOM 0 H ILE A 29 -1.770 7.089 4.871 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.078 9.113 3.896 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.509 9.183 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.684 8.230 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.806 9.502 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.729 11.552 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.228 11.229 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.175 11.474 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.945 9.834 1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.419 11.154 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.279 9.862 2.176 1.00 0.00 H new ATOM 441 N GLU A 30 0.374 8.308 6.884 1.00 0.00 N ATOM 442 CA GLU A 30 1.154 8.493 8.102 1.00 0.00 C ATOM 443 C GLU A 30 2.647 8.384 7.829 1.00 0.00 C ATOM 444 O GLU A 30 3.470 8.472 8.741 1.00 0.00 O ATOM 445 CB GLU A 30 0.730 7.495 9.180 1.00 0.00 C ATOM 446 CG GLU A 30 -0.776 7.334 9.301 1.00 0.00 C ATOM 447 CD GLU A 30 -1.185 6.587 10.557 1.00 0.00 C ATOM 448 OE1 GLU A 30 -0.537 6.793 11.604 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.151 5.800 10.491 1.00 0.00 O ATOM 0 H GLU A 30 -0.049 7.384 6.800 1.00 0.00 H new ATOM 0 HA GLU A 30 0.954 9.500 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.174 6.524 8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.131 7.818 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.244 8.318 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.152 6.801 8.427 1.00 0.00 H new ATOM 456 N ALA A 31 2.976 8.192 6.570 1.00 0.00 N ATOM 457 CA ALA A 31 4.365 8.067 6.144 1.00 0.00 C ATOM 458 C ALA A 31 4.929 9.416 5.711 1.00 0.00 C ATOM 459 O ALA A 31 6.123 9.677 5.859 1.00 0.00 O ATOM 460 CB ALA A 31 4.480 7.056 5.013 1.00 0.00 C ATOM 0 H ALA A 31 2.297 8.118 5.812 1.00 0.00 H new ATOM 0 HA ALA A 31 4.950 7.714 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.522 6.972 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.124 6.085 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.877 7.386 4.167 1.00 0.00 H new ATOM 466 N PHE A 32 4.063 10.268 5.173 1.00 0.00 N ATOM 467 CA PHE A 32 4.474 11.592 4.718 1.00 0.00 C ATOM 468 C PHE A 32 5.064 12.404 5.866 1.00 0.00 C ATOM 469 O PHE A 32 5.940 13.243 5.658 1.00 0.00 O ATOM 470 CB PHE A 32 3.285 12.336 4.108 1.00 0.00 C ATOM 471 CG PHE A 32 3.647 13.171 2.914 1.00 0.00 C ATOM 472 CD1 PHE A 32 3.688 12.610 1.646 1.00 0.00 C ATOM 473 CD2 PHE A 32 3.946 14.516 3.057 1.00 0.00 C ATOM 474 CE1 PHE A 32 4.021 13.376 0.546 1.00 0.00 C ATOM 475 CE2 PHE A 32 4.280 15.287 1.959 1.00 0.00 C ATOM 476 CZ PHE A 32 4.317 14.715 0.702 1.00 0.00 C ATOM 0 H PHE A 32 3.072 10.066 5.041 1.00 0.00 H new ATOM 0 HA PHE A 32 5.243 11.464 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.524 11.612 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.840 12.978 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.457 11.563 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.918 14.968 4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.050 12.927 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.512 16.334 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.577 15.315 -0.158 1.00 0.00 H new ATOM 486 N TYR A 33 4.577 12.151 7.075 1.00 0.00 N ATOM 487 CA TYR A 33 5.056 12.860 8.256 1.00 0.00 C ATOM 488 C TYR A 33 6.109 12.040 8.994 1.00 0.00 C ATOM 489 O TYR A 33 6.142 12.014 10.225 1.00 0.00 O ATOM 490 CB TYR A 33 3.888 13.175 9.194 1.00 0.00 C ATOM 491 CG TYR A 33 2.778 13.964 8.538 1.00 0.00 C ATOM 492 CD1 TYR A 33 1.932 13.367 7.612 1.00 0.00 C ATOM 493 CD2 TYR A 33 2.576 15.303 8.843 1.00 0.00 C ATOM 494 CE1 TYR A 33 0.916 14.084 7.009 1.00 0.00 C ATOM 495 CE2 TYR A 33 1.563 16.027 8.245 1.00 0.00 C ATOM 496 CZ TYR A 33 0.735 15.413 7.329 1.00 0.00 C ATOM 497 OH TYR A 33 -0.275 16.129 6.731 1.00 0.00 O ATOM 0 H TYR A 33 3.851 11.460 7.264 1.00 0.00 H new ATOM 0 HA TYR A 33 5.514 13.794 7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.480 12.240 9.578 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.262 13.735 10.051 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.070 12.326 7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.222 15.787 9.560 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.267 13.606 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.420 17.068 8.493 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.267 17.050 7.067 1.00 0.00 H new ATOM 507 N ASN A 34 6.970 11.372 8.233 1.00 0.00 N ATOM 508 CA ASN A 34 8.027 10.552 8.815 1.00 0.00 C ATOM 509 C ASN A 34 8.917 9.960 7.726 1.00 0.00 C ATOM 510 O ASN A 34 9.356 8.814 7.824 1.00 0.00 O ATOM 511 CB ASN A 34 7.423 9.431 9.663 1.00 0.00 C ATOM 512 CG ASN A 34 8.370 8.950 10.744 1.00 0.00 C ATOM 513 OD1 ASN A 34 8.654 7.757 10.851 1.00 0.00 O ATOM 514 ND2 ASN A 34 8.863 9.879 11.555 1.00 0.00 N ATOM 0 H ASN A 34 6.957 11.382 7.213 1.00 0.00 H new ATOM 0 HA ASN A 34 8.639 11.190 9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.500 9.784 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.157 8.594 9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.504 9.615 12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.600 10.857 11.430 1.00 0.00 H new ATOM 521 N PHE A 35 9.179 10.749 6.689 1.00 0.00 N ATOM 522 CA PHE A 35 10.017 10.303 5.583 1.00 0.00 C ATOM 523 C PHE A 35 10.225 11.425 4.571 1.00 0.00 C ATOM 524 O PHE A 35 9.592 11.449 3.515 1.00 0.00 O ATOM 525 CB PHE A 35 9.387 9.091 4.895 1.00 0.00 C ATOM 526 CG PHE A 35 10.222 8.532 3.777 1.00 0.00 C ATOM 527 CD1 PHE A 35 11.364 7.798 4.049 1.00 0.00 C ATOM 528 CD2 PHE A 35 9.862 8.743 2.455 1.00 0.00 C ATOM 529 CE1 PHE A 35 12.135 7.284 3.023 1.00 0.00 C ATOM 530 CE2 PHE A 35 10.628 8.231 1.425 1.00 0.00 C ATOM 531 CZ PHE A 35 11.767 7.501 1.709 1.00 0.00 C ATOM 0 H PHE A 35 8.823 11.700 6.592 1.00 0.00 H new ATOM 0 HA PHE A 35 10.988 10.018 5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.218 8.310 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.411 9.374 4.502 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.656 7.625 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.974 9.313 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.024 6.714 3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.337 8.401 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.368 7.101 0.906 1.00 0.00 H new ATOM 541 N ASP A 36 11.116 12.354 4.900 1.00 0.00 N ATOM 542 CA ASP A 36 11.410 13.479 4.021 1.00 0.00 C ATOM 543 C ASP A 36 12.739 14.129 4.391 1.00 0.00 C ATOM 544 O ASP A 36 12.773 15.239 4.924 1.00 0.00 O ATOM 545 CB ASP A 36 10.284 14.514 4.091 1.00 0.00 C ATOM 546 CG ASP A 36 9.094 14.133 3.231 1.00 0.00 C ATOM 547 OD1 ASP A 36 9.303 13.773 2.054 1.00 0.00 O ATOM 548 OD2 ASP A 36 7.952 14.195 3.736 1.00 0.00 O ATOM 0 H ASP A 36 11.648 12.350 5.770 1.00 0.00 H new ATOM 0 HA ASP A 36 11.485 13.101 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.960 14.625 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.665 15.484 3.770 1.00 0.00 H new ATOM 553 N GLY A 37 13.832 13.429 4.107 1.00 0.00 N ATOM 554 CA GLY A 37 15.149 13.951 4.417 1.00 0.00 C ATOM 555 C GLY A 37 15.905 14.396 3.179 1.00 0.00 C ATOM 556 O GLY A 37 17.135 14.375 3.154 1.00 0.00 O ATOM 0 H GLY A 37 13.829 12.509 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.050 14.794 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 37 15.727 13.186 4.936 1.00 0.00 H new ATOM 560 N ASP A 38 15.166 14.798 2.151 1.00 0.00 N ATOM 561 CA ASP A 38 15.773 15.249 0.904 1.00 0.00 C ATOM 562 C ASP A 38 16.619 14.144 0.278 1.00 0.00 C ATOM 563 O ASP A 38 17.672 14.407 -0.300 1.00 0.00 O ATOM 564 CB ASP A 38 16.637 16.488 1.152 1.00 0.00 C ATOM 565 CG ASP A 38 15.814 17.760 1.230 1.00 0.00 C ATOM 566 OD1 ASP A 38 14.869 17.906 0.425 1.00 0.00 O ATOM 567 OD2 ASP A 38 16.114 18.609 2.095 1.00 0.00 O ATOM 0 H ASP A 38 14.146 14.821 2.156 1.00 0.00 H new ATOM 0 HA ASP A 38 14.971 15.505 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.193 16.360 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.371 16.582 0.352 1.00 0.00 H new ATOM 572 N TYR A 39 16.148 12.906 0.398 1.00 0.00 N ATOM 573 CA TYR A 39 16.859 11.761 -0.155 1.00 0.00 C ATOM 574 C TYR A 39 16.736 11.727 -1.674 1.00 0.00 C ATOM 575 O TYR A 39 16.168 12.634 -2.282 1.00 0.00 O ATOM 576 CB TYR A 39 16.319 10.460 0.443 1.00 0.00 C ATOM 577 CG TYR A 39 17.396 9.448 0.763 1.00 0.00 C ATOM 578 CD1 TYR A 39 18.319 9.681 1.774 1.00 0.00 C ATOM 579 CD2 TYR A 39 17.489 8.258 0.052 1.00 0.00 C ATOM 580 CE1 TYR A 39 19.304 8.758 2.069 1.00 0.00 C ATOM 581 CE2 TYR A 39 18.470 7.329 0.341 1.00 0.00 C ATOM 582 CZ TYR A 39 19.376 7.584 1.349 1.00 0.00 C ATOM 583 OH TYR A 39 20.355 6.663 1.639 1.00 0.00 O ATOM 0 H TYR A 39 15.277 12.672 0.874 1.00 0.00 H new ATOM 0 HA TYR A 39 17.913 11.860 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.767 10.690 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 39 15.610 10.015 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 39 18.266 10.600 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.783 8.056 -0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 39 20.014 8.955 2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 39 18.527 6.408 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 39 20.266 5.892 1.041 1.00 0.00 H new ATOM 593 N ASP A 40 17.270 10.672 -2.283 1.00 0.00 N ATOM 594 CA ASP A 40 17.218 10.520 -3.732 1.00 0.00 C ATOM 595 C ASP A 40 16.079 9.592 -4.142 1.00 0.00 C ATOM 596 O ASP A 40 16.188 8.853 -5.121 1.00 0.00 O ATOM 597 CB ASP A 40 18.549 9.974 -4.256 1.00 0.00 C ATOM 598 CG ASP A 40 18.876 8.607 -3.688 1.00 0.00 C ATOM 599 OD1 ASP A 40 18.337 8.264 -2.615 1.00 0.00 O ATOM 600 OD2 ASP A 40 19.674 7.880 -4.316 1.00 0.00 O ATOM 0 H ASP A 40 17.743 9.911 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 40 17.037 11.502 -4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.511 9.913 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.349 10.670 -4.004 1.00 0.00 H new ATOM 605 N GLY A 41 14.987 9.636 -3.387 1.00 0.00 N ATOM 606 CA GLY A 41 13.843 8.796 -3.686 1.00 0.00 C ATOM 607 C GLY A 41 14.179 7.318 -3.638 1.00 0.00 C ATOM 608 O GLY A 41 13.772 6.553 -4.510 1.00 0.00 O ATOM 0 H GLY A 41 14.874 10.239 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.045 9.007 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.461 9.047 -4.676 1.00 0.00 H new ATOM 612 N PHE A 42 14.925 6.917 -2.613 1.00 0.00 N ATOM 613 CA PHE A 42 15.315 5.521 -2.453 1.00 0.00 C ATOM 614 C PHE A 42 15.491 5.169 -0.980 1.00 0.00 C ATOM 615 O PHE A 42 16.269 5.805 -0.268 1.00 0.00 O ATOM 616 CB PHE A 42 16.613 5.243 -3.215 1.00 0.00 C ATOM 617 CG PHE A 42 16.422 5.110 -4.699 1.00 0.00 C ATOM 618 CD1 PHE A 42 15.567 4.148 -5.217 1.00 0.00 C ATOM 619 CD2 PHE A 42 17.094 5.945 -5.575 1.00 0.00 C ATOM 620 CE1 PHE A 42 15.390 4.022 -6.581 1.00 0.00 C ATOM 621 CE2 PHE A 42 16.920 5.825 -6.941 1.00 0.00 C ATOM 622 CZ PHE A 42 16.066 4.861 -7.444 1.00 0.00 C ATOM 0 H PHE A 42 15.271 7.538 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 42 14.520 4.898 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.320 6.049 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.061 4.326 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 42 15.034 3.490 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 42 17.762 6.699 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.723 3.268 -6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.450 6.483 -7.614 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.928 4.764 -8.511 1.00 0.00 H new ATOM 632 N VAL A 43 14.766 4.150 -0.530 1.00 0.00 N ATOM 633 CA VAL A 43 14.842 3.711 0.857 1.00 0.00 C ATOM 634 C VAL A 43 15.025 2.198 0.942 1.00 0.00 C ATOM 635 O VAL A 43 14.263 1.436 0.345 1.00 0.00 O ATOM 636 CB VAL A 43 13.580 4.113 1.645 1.00 0.00 C ATOM 637 CG1 VAL A 43 12.340 3.479 1.034 1.00 0.00 C ATOM 638 CG2 VAL A 43 13.716 3.731 3.111 1.00 0.00 C ATOM 0 H VAL A 43 14.119 3.613 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 43 15.707 4.205 1.300 1.00 0.00 H new ATOM 0 HB VAL A 43 13.472 5.196 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.460 3.776 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.232 3.813 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.438 2.394 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.814 4.024 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.854 2.653 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.577 4.242 3.542 1.00 0.00 H new ATOM 648 N SER A 44 16.039 1.772 1.686 1.00 0.00 N ATOM 649 CA SER A 44 16.322 0.350 1.847 1.00 0.00 C ATOM 650 C SER A 44 15.378 -0.281 2.866 1.00 0.00 C ATOM 651 O SER A 44 14.753 0.417 3.665 1.00 0.00 O ATOM 652 CB SER A 44 17.772 0.144 2.283 1.00 0.00 C ATOM 653 OG SER A 44 18.168 1.126 3.225 1.00 0.00 O ATOM 0 H SER A 44 16.678 2.389 2.187 1.00 0.00 H new ATOM 0 HA SER A 44 16.166 -0.137 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 44 17.886 -0.849 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.426 0.187 1.412 1.00 0.00 H new ATOM 0 HG SER A 44 19.099 0.970 3.488 1.00 0.00 H new ATOM 659 N VAL A 45 15.282 -1.605 2.833 1.00 0.00 N ATOM 660 CA VAL A 45 14.419 -2.333 3.752 1.00 0.00 C ATOM 661 C VAL A 45 14.887 -2.162 5.192 1.00 0.00 C ATOM 662 O VAL A 45 14.116 -1.761 6.065 1.00 0.00 O ATOM 663 CB VAL A 45 14.382 -3.838 3.416 1.00 0.00 C ATOM 664 CG1 VAL A 45 13.415 -4.571 4.330 1.00 0.00 C ATOM 665 CG2 VAL A 45 14.011 -4.055 1.957 1.00 0.00 C ATOM 0 H VAL A 45 15.793 -2.196 2.178 1.00 0.00 H new ATOM 0 HA VAL A 45 13.417 -1.917 3.642 1.00 0.00 H new ATOM 0 HB VAL A 45 15.379 -4.246 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.405 -5.631 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.731 -4.450 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.414 -4.159 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.991 -5.123 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.027 -3.627 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.749 -3.570 1.318 1.00 0.00 H new ATOM 675 N GLU A 46 16.156 -2.474 5.433 1.00 0.00 N ATOM 676 CA GLU A 46 16.739 -2.361 6.767 1.00 0.00 C ATOM 677 C GLU A 46 16.392 -1.019 7.406 1.00 0.00 C ATOM 678 O GLU A 46 16.282 -0.911 8.628 1.00 0.00 O ATOM 679 CB GLU A 46 18.257 -2.532 6.695 1.00 0.00 C ATOM 680 CG GLU A 46 18.699 -3.704 5.835 1.00 0.00 C ATOM 681 CD GLU A 46 20.142 -4.095 6.079 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.494 -4.372 7.245 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.923 -4.125 5.104 1.00 0.00 O ATOM 0 H GLU A 46 16.803 -2.809 4.719 1.00 0.00 H new ATOM 0 HA GLU A 46 16.319 -3.152 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.699 -1.617 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.647 -2.666 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.056 -4.560 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.569 -3.448 4.784 1.00 0.00 H new ATOM 690 N GLU A 47 16.214 -0.001 6.570 1.00 0.00 N ATOM 691 CA GLU A 47 15.871 1.331 7.051 1.00 0.00 C ATOM 692 C GLU A 47 14.359 1.529 7.054 1.00 0.00 C ATOM 693 O GLU A 47 13.821 2.273 7.872 1.00 0.00 O ATOM 694 CB GLU A 47 16.534 2.399 6.179 1.00 0.00 C ATOM 695 CG GLU A 47 17.991 2.108 5.863 1.00 0.00 C ATOM 696 CD GLU A 47 18.887 2.217 7.081 1.00 0.00 C ATOM 697 OE1 GLU A 47 18.362 2.139 8.211 1.00 0.00 O ATOM 698 OE2 GLU A 47 20.112 2.381 6.905 1.00 0.00 O ATOM 0 H GLU A 47 16.302 -0.074 5.556 1.00 0.00 H new ATOM 0 HA GLU A 47 16.238 1.429 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.979 2.489 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.466 3.362 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.074 1.105 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.338 2.803 5.098 1.00 0.00 H new ATOM 705 N PHE A 48 13.681 0.854 6.131 1.00 0.00 N ATOM 706 CA PHE A 48 12.231 0.950 6.019 1.00 0.00 C ATOM 707 C PHE A 48 11.548 0.357 7.249 1.00 0.00 C ATOM 708 O PHE A 48 10.540 0.880 7.724 1.00 0.00 O ATOM 709 CB PHE A 48 11.751 0.229 4.758 1.00 0.00 C ATOM 710 CG PHE A 48 10.801 1.038 3.921 1.00 0.00 C ATOM 711 CD1 PHE A 48 9.830 1.830 4.514 1.00 0.00 C ATOM 712 CD2 PHE A 48 10.879 1.004 2.538 1.00 0.00 C ATOM 713 CE1 PHE A 48 8.956 2.572 3.744 1.00 0.00 C ATOM 714 CE2 PHE A 48 10.007 1.746 1.763 1.00 0.00 C ATOM 715 CZ PHE A 48 9.045 2.531 2.366 1.00 0.00 C ATOM 0 H PHE A 48 14.115 0.233 5.448 1.00 0.00 H new ATOM 0 HA PHE A 48 11.965 2.005 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.617 -0.039 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.264 -0.702 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.756 1.867 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.629 0.391 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.203 3.184 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.079 1.711 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.364 3.112 1.762 1.00 0.00 H new ATOM 725 N ARG A 49 12.104 -0.738 7.758 1.00 0.00 N ATOM 726 CA ARG A 49 11.548 -1.406 8.931 1.00 0.00 C ATOM 727 C ARG A 49 11.407 -0.434 10.098 1.00 0.00 C ATOM 728 O ARG A 49 10.339 -0.326 10.702 1.00 0.00 O ATOM 729 CB ARG A 49 12.431 -2.587 9.338 1.00 0.00 C ATOM 730 CG ARG A 49 12.669 -3.583 8.215 1.00 0.00 C ATOM 731 CD ARG A 49 14.063 -4.185 8.292 1.00 0.00 C ATOM 732 NE ARG A 49 14.083 -5.419 9.074 1.00 0.00 N ATOM 733 CZ ARG A 49 13.685 -6.600 8.610 1.00 0.00 C ATOM 734 NH1 ARG A 49 13.233 -6.714 7.367 1.00 0.00 N ATOM 735 NH2 ARG A 49 13.738 -7.672 9.389 1.00 0.00 N ATOM 0 H ARG A 49 12.939 -1.182 7.377 1.00 0.00 H new ATOM 0 HA ARG A 49 10.556 -1.776 8.670 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.392 -2.208 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.968 -3.104 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.925 -4.378 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.538 -3.087 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.427 -4.388 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.746 -3.462 8.738 1.00 0.00 H new ATOM 0 HE ARG A 49 14.423 -5.372 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.190 -5.893 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.929 -7.622 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.084 -7.591 10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.432 -8.577 9.032 1.00 0.00 H new ATOM 749 N GLY A 50 12.489 0.270 10.413 1.00 0.00 N ATOM 750 CA GLY A 50 12.459 1.224 11.507 1.00 0.00 C ATOM 751 C GLY A 50 11.386 2.282 11.329 1.00 0.00 C ATOM 752 O GLY A 50 10.957 2.910 12.295 1.00 0.00 O ATOM 0 H GLY A 50 13.385 0.197 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.288 0.692 12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.432 1.709 11.588 1.00 0.00 H new ATOM 756 N ILE A 51 10.953 2.478 10.087 1.00 0.00 N ATOM 757 CA ILE A 51 9.923 3.466 9.781 1.00 0.00 C ATOM 758 C ILE A 51 8.535 2.836 9.783 1.00 0.00 C ATOM 759 O ILE A 51 7.535 3.518 10.004 1.00 0.00 O ATOM 760 CB ILE A 51 10.171 4.126 8.412 1.00 0.00 C ATOM 761 CG1 ILE A 51 11.637 4.538 8.278 1.00 0.00 C ATOM 762 CG2 ILE A 51 9.257 5.329 8.231 1.00 0.00 C ATOM 763 CD1 ILE A 51 12.021 4.967 6.878 1.00 0.00 C ATOM 0 H ILE A 51 11.299 1.966 9.276 1.00 0.00 H new ATOM 0 HA ILE A 51 9.973 4.226 10.560 1.00 0.00 H new ATOM 0 HB ILE A 51 9.945 3.402 7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.840 5.357 8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.269 3.703 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.444 5.785 7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.217 5.007 8.287 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.454 6.058 9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.075 5.245 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.850 4.143 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.415 5.822 6.580 1.00 0.00 H new ATOM 775 N ILE A 52 8.480 1.534 9.528 1.00 0.00 N ATOM 776 CA ILE A 52 7.212 0.813 9.496 1.00 0.00 C ATOM 777 C ILE A 52 6.893 0.191 10.854 1.00 0.00 C ATOM 778 O ILE A 52 5.787 0.342 11.373 1.00 0.00 O ATOM 779 CB ILE A 52 7.227 -0.294 8.422 1.00 0.00 C ATOM 780 CG1 ILE A 52 7.483 0.311 7.042 1.00 0.00 C ATOM 781 CG2 ILE A 52 5.916 -1.068 8.429 1.00 0.00 C ATOM 782 CD1 ILE A 52 6.375 1.227 6.571 1.00 0.00 C ATOM 0 H ILE A 52 9.299 0.955 9.340 1.00 0.00 H new ATOM 0 HA ILE A 52 6.439 1.541 9.248 1.00 0.00 H new ATOM 0 HB ILE A 52 8.034 -0.989 8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.419 0.869 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.610 -0.494 6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.947 -1.844 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.770 -1.528 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.090 -0.387 8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.623 1.621 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.441 0.669 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.262 2.053 7.274 1.00 0.00 H new ATOM 794 N ARG A 53 7.867 -0.515 11.420 1.00 0.00 N ATOM 795 CA ARG A 53 7.695 -1.172 12.713 1.00 0.00 C ATOM 796 C ARG A 53 7.059 -0.238 13.741 1.00 0.00 C ATOM 797 O ARG A 53 5.920 -0.442 14.157 1.00 0.00 O ATOM 798 CB ARG A 53 9.044 -1.674 13.233 1.00 0.00 C ATOM 799 CG ARG A 53 8.947 -2.422 14.552 1.00 0.00 C ATOM 800 CD ARG A 53 10.213 -3.212 14.839 1.00 0.00 C ATOM 801 NE ARG A 53 11.173 -2.444 15.627 1.00 0.00 N ATOM 802 CZ ARG A 53 12.438 -2.812 15.819 1.00 0.00 C ATOM 803 NH1 ARG A 53 12.900 -3.935 15.283 1.00 0.00 N ATOM 804 NH2 ARG A 53 13.245 -2.054 16.550 1.00 0.00 N ATOM 0 H ARG A 53 8.788 -0.648 11.002 1.00 0.00 H new ATOM 0 HA ARG A 53 7.023 -2.017 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.491 -2.329 12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.716 -0.824 13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.768 -1.714 15.361 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.093 -3.099 14.526 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.956 -4.127 15.373 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.674 -3.511 13.898 1.00 0.00 H new ATOM 0 HE ARG A 53 10.856 -1.574 16.056 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.285 -4.522 14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.870 -4.211 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.896 -1.190 16.965 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.214 -2.335 16.697 1.00 0.00 H new ATOM 818 N ASP A 54 7.807 0.781 14.153 1.00 0.00 N ATOM 819 CA ASP A 54 7.319 1.738 15.139 1.00 0.00 C ATOM 820 C ASP A 54 6.658 2.945 14.477 1.00 0.00 C ATOM 821 O ASP A 54 6.440 3.970 15.123 1.00 0.00 O ATOM 822 CB ASP A 54 8.469 2.204 16.035 1.00 0.00 C ATOM 823 CG ASP A 54 7.981 2.927 17.274 1.00 0.00 C ATOM 824 OD1 ASP A 54 6.940 2.516 17.830 1.00 0.00 O ATOM 825 OD2 ASP A 54 8.638 3.904 17.689 1.00 0.00 O ATOM 0 H ASP A 54 8.753 0.965 13.819 1.00 0.00 H new ATOM 0 HA ASP A 54 6.566 1.232 15.743 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.066 1.342 16.332 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.124 2.865 15.467 1.00 0.00 H new ATOM 830 N GLY A 55 6.344 2.826 13.190 1.00 0.00 N ATOM 831 CA GLY A 55 5.716 3.927 12.483 1.00 0.00 C ATOM 832 C GLY A 55 4.371 3.557 11.890 1.00 0.00 C ATOM 833 O GLY A 55 3.335 3.716 12.536 1.00 0.00 O ATOM 0 H GLY A 55 6.512 1.992 12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.587 4.765 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.378 4.265 11.686 1.00 0.00 H new ATOM 837 N LEU A 56 4.386 3.071 10.654 1.00 0.00 N ATOM 838 CA LEU A 56 3.157 2.684 9.969 1.00 0.00 C ATOM 839 C LEU A 56 2.687 1.301 10.417 1.00 0.00 C ATOM 840 O LEU A 56 3.479 0.358 10.474 1.00 0.00 O ATOM 841 CB LEU A 56 3.369 2.696 8.454 1.00 0.00 C ATOM 842 CG LEU A 56 3.093 4.038 7.772 1.00 0.00 C ATOM 843 CD1 LEU A 56 1.607 4.357 7.806 1.00 0.00 C ATOM 844 CD2 LEU A 56 3.896 5.148 8.434 1.00 0.00 C ATOM 0 H LEU A 56 5.235 2.935 10.105 1.00 0.00 H new ATOM 0 HA LEU A 56 2.386 3.408 10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.398 2.404 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.725 1.939 8.006 1.00 0.00 H new ATOM 0 HG LEU A 56 3.404 3.966 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.429 5.315 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.055 3.575 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.270 4.410 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.687 6.095 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.617 5.222 9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.960 4.924 8.356 1.00 0.00 H new ATOM 856 N PRO A 57 1.388 1.156 10.737 1.00 0.00 N ATOM 857 CA PRO A 57 0.824 -0.123 11.174 1.00 0.00 C ATOM 858 C PRO A 57 0.632 -1.094 10.017 1.00 0.00 C ATOM 859 O PRO A 57 -0.183 -0.860 9.124 1.00 0.00 O ATOM 860 CB PRO A 57 -0.524 0.276 11.770 1.00 0.00 C ATOM 861 CG PRO A 57 -0.915 1.502 11.022 1.00 0.00 C ATOM 862 CD PRO A 57 0.368 2.222 10.695 1.00 0.00 C ATOM 0 HA PRO A 57 1.478 -0.644 11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.262 -0.516 11.647 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.443 0.472 12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.460 1.246 10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.572 2.131 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.323 2.695 9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.581 3.009 11.418 1.00 0.00 H new ATOM 870 N MET A 58 1.389 -2.183 10.039 1.00 0.00 N ATOM 871 CA MET A 58 1.306 -3.191 8.993 1.00 0.00 C ATOM 872 C MET A 58 1.775 -4.548 9.507 1.00 0.00 C ATOM 873 O MET A 58 2.776 -4.641 10.217 1.00 0.00 O ATOM 874 CB MET A 58 2.146 -2.766 7.784 1.00 0.00 C ATOM 875 CG MET A 58 1.348 -2.647 6.496 1.00 0.00 C ATOM 876 SD MET A 58 2.243 -1.765 5.202 1.00 0.00 S ATOM 877 CE MET A 58 2.890 -3.130 4.239 1.00 0.00 C ATOM 0 H MET A 58 2.068 -2.390 10.771 1.00 0.00 H new ATOM 0 HA MET A 58 0.264 -3.283 8.688 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.617 -1.807 7.999 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.948 -3.489 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.091 -3.644 6.139 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.410 -2.130 6.701 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.660 -2.764 3.560 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.321 -3.875 4.908 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.084 -3.583 3.662 1.00 0.00 H new ATOM 887 N THR A 59 1.049 -5.596 9.140 1.00 0.00 N ATOM 888 CA THR A 59 1.393 -6.952 9.559 1.00 0.00 C ATOM 889 C THR A 59 2.606 -7.468 8.788 1.00 0.00 C ATOM 890 O THR A 59 2.777 -7.161 7.608 1.00 0.00 O ATOM 891 CB THR A 59 0.206 -7.893 9.347 1.00 0.00 C ATOM 892 OG1 THR A 59 -0.644 -7.406 8.325 1.00 0.00 O ATOM 893 CG2 THR A 59 -0.634 -8.085 10.590 1.00 0.00 C ATOM 0 H THR A 59 0.217 -5.535 8.553 1.00 0.00 H new ATOM 0 HA THR A 59 1.641 -6.924 10.620 1.00 0.00 H new ATOM 0 HB THR A 59 0.644 -8.853 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.396 -8.022 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.459 -8.763 10.371 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.018 -8.508 11.384 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.032 -7.123 10.913 1.00 0.00 H new ATOM 901 N GLU A 60 3.438 -8.261 9.462 1.00 0.00 N ATOM 902 CA GLU A 60 4.642 -8.833 8.853 1.00 0.00 C ATOM 903 C GLU A 60 4.387 -9.230 7.406 1.00 0.00 C ATOM 904 O GLU A 60 5.154 -8.893 6.511 1.00 0.00 O ATOM 905 CB GLU A 60 5.104 -10.064 9.638 1.00 0.00 C ATOM 906 CG GLU A 60 3.967 -10.888 10.227 1.00 0.00 C ATOM 907 CD GLU A 60 4.454 -12.166 10.879 1.00 0.00 C ATOM 908 OE1 GLU A 60 4.747 -13.134 10.144 1.00 0.00 O ATOM 909 OE2 GLU A 60 4.541 -12.202 12.124 1.00 0.00 O ATOM 0 H GLU A 60 3.300 -8.524 10.438 1.00 0.00 H new ATOM 0 HA GLU A 60 5.420 -8.070 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.696 -10.700 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.761 -9.741 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.432 -10.289 10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.255 -11.134 9.439 1.00 0.00 H new ATOM 916 N ALA A 61 3.297 -9.943 7.196 1.00 0.00 N ATOM 917 CA ALA A 61 2.908 -10.391 5.871 1.00 0.00 C ATOM 918 C ALA A 61 2.940 -9.237 4.878 1.00 0.00 C ATOM 919 O ALA A 61 3.622 -9.303 3.864 1.00 0.00 O ATOM 920 CB ALA A 61 1.526 -11.015 5.925 1.00 0.00 C ATOM 0 H ALA A 61 2.657 -10.228 7.937 1.00 0.00 H new ATOM 0 HA ALA A 61 3.621 -11.142 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.239 -11.350 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.538 -11.867 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.807 -10.277 6.281 1.00 0.00 H new ATOM 926 N GLU A 62 2.212 -8.170 5.184 1.00 0.00 N ATOM 927 CA GLU A 62 2.184 -7.001 4.308 1.00 0.00 C ATOM 928 C GLU A 62 3.604 -6.546 4.002 1.00 0.00 C ATOM 929 O GLU A 62 4.039 -6.567 2.853 1.00 0.00 O ATOM 930 CB GLU A 62 1.399 -5.843 4.939 1.00 0.00 C ATOM 931 CG GLU A 62 0.389 -6.268 5.989 1.00 0.00 C ATOM 932 CD GLU A 62 -0.752 -5.283 6.139 1.00 0.00 C ATOM 933 OE1 GLU A 62 -1.397 -4.962 5.117 1.00 0.00 O ATOM 934 OE2 GLU A 62 -1.002 -4.829 7.274 1.00 0.00 O ATOM 0 H GLU A 62 1.638 -8.088 6.023 1.00 0.00 H new ATOM 0 HA GLU A 62 1.682 -7.290 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.104 -5.146 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.878 -5.301 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.014 -7.246 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.894 -6.380 6.948 1.00 0.00 H new ATOM 941 N ILE A 63 4.322 -6.145 5.047 1.00 0.00 N ATOM 942 CA ILE A 63 5.704 -5.690 4.902 1.00 0.00 C ATOM 943 C ILE A 63 6.570 -6.763 4.257 1.00 0.00 C ATOM 944 O ILE A 63 7.110 -6.570 3.171 1.00 0.00 O ATOM 945 CB ILE A 63 6.332 -5.315 6.261 1.00 0.00 C ATOM 946 CG1 ILE A 63 5.334 -4.552 7.125 1.00 0.00 C ATOM 947 CG2 ILE A 63 7.592 -4.492 6.051 1.00 0.00 C ATOM 948 CD1 ILE A 63 4.698 -5.416 8.187 1.00 0.00 C ATOM 0 H ILE A 63 3.971 -6.125 6.004 1.00 0.00 H new ATOM 0 HA ILE A 63 5.669 -4.806 4.266 1.00 0.00 H new ATOM 0 HB ILE A 63 6.599 -6.235 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.840 -3.713 7.601 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.554 -4.134 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.024 -4.235 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.313 -5.071 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.344 -3.579 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.997 -4.819 8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.165 -6.241 7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.471 -5.813 8.845 1.00 0.00 H new ATOM 960 N THR A 64 6.697 -7.893 4.940 1.00 0.00 N ATOM 961 CA THR A 64 7.496 -9.013 4.454 1.00 0.00 C ATOM 962 C THR A 64 7.138 -9.369 3.017 1.00 0.00 C ATOM 963 O THR A 64 8.009 -9.441 2.151 1.00 0.00 O ATOM 964 CB THR A 64 7.277 -10.230 5.345 1.00 0.00 C ATOM 965 OG1 THR A 64 7.688 -9.965 6.673 1.00 0.00 O ATOM 966 CG2 THR A 64 8.010 -11.465 4.870 1.00 0.00 C ATOM 0 H THR A 64 6.252 -8.060 5.842 1.00 0.00 H new ATOM 0 HA THR A 64 8.544 -8.714 4.483 1.00 0.00 H new ATOM 0 HB THR A 64 6.206 -10.427 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.003 -9.431 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.809 -12.292 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.669 -11.728 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.081 -11.266 4.847 1.00 0.00 H new ATOM 974 N GLU A 65 5.850 -9.591 2.769 1.00 0.00 N ATOM 975 CA GLU A 65 5.398 -9.939 1.425 1.00 0.00 C ATOM 976 C GLU A 65 5.628 -8.787 0.475 1.00 0.00 C ATOM 977 O GLU A 65 5.610 -8.944 -0.747 1.00 0.00 O ATOM 978 CB GLU A 65 3.923 -10.337 1.420 1.00 0.00 C ATOM 979 CG GLU A 65 3.606 -11.522 2.319 1.00 0.00 C ATOM 980 CD GLU A 65 3.421 -12.809 1.541 1.00 0.00 C ATOM 981 OE1 GLU A 65 4.437 -13.447 1.197 1.00 0.00 O ATOM 982 OE2 GLU A 65 2.258 -13.181 1.276 1.00 0.00 O ATOM 0 H GLU A 65 5.110 -9.537 3.469 1.00 0.00 H new ATOM 0 HA GLU A 65 5.982 -10.797 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.324 -9.483 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.624 -10.576 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.412 -11.651 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.700 -11.311 2.886 1.00 0.00 H new ATOM 989 N PHE A 66 5.860 -7.638 1.057 1.00 0.00 N ATOM 990 CA PHE A 66 6.122 -6.432 0.298 1.00 0.00 C ATOM 991 C PHE A 66 7.623 -6.221 0.136 1.00 0.00 C ATOM 992 O PHE A 66 8.073 -5.595 -0.822 1.00 0.00 O ATOM 993 CB PHE A 66 5.489 -5.211 0.974 1.00 0.00 C ATOM 994 CG PHE A 66 4.043 -4.997 0.620 1.00 0.00 C ATOM 995 CD1 PHE A 66 3.222 -6.071 0.303 1.00 0.00 C ATOM 996 CD2 PHE A 66 3.504 -3.721 0.603 1.00 0.00 C ATOM 997 CE1 PHE A 66 1.893 -5.873 -0.023 1.00 0.00 C ATOM 998 CE2 PHE A 66 2.175 -3.518 0.279 1.00 0.00 C ATOM 999 CZ PHE A 66 1.369 -4.596 -0.035 1.00 0.00 C ATOM 0 H PHE A 66 5.874 -7.507 2.069 1.00 0.00 H new ATOM 0 HA PHE A 66 5.673 -6.550 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.575 -5.322 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.055 -4.321 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.626 -7.072 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.129 -2.874 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.265 -6.717 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.767 -2.518 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.331 -4.440 -0.289 1.00 0.00 H new ATOM 1009 N PHE A 67 8.394 -6.752 1.084 1.00 0.00 N ATOM 1010 CA PHE A 67 9.846 -6.626 1.049 1.00 0.00 C ATOM 1011 C PHE A 67 10.451 -7.608 0.051 1.00 0.00 C ATOM 1012 O PHE A 67 11.531 -7.370 -0.492 1.00 0.00 O ATOM 1013 CB PHE A 67 10.431 -6.868 2.445 1.00 0.00 C ATOM 1014 CG PHE A 67 10.375 -5.675 3.366 1.00 0.00 C ATOM 1015 CD1 PHE A 67 10.156 -4.391 2.879 1.00 0.00 C ATOM 1016 CD2 PHE A 67 10.544 -5.846 4.732 1.00 0.00 C ATOM 1017 CE1 PHE A 67 10.109 -3.309 3.738 1.00 0.00 C ATOM 1018 CE2 PHE A 67 10.497 -4.765 5.593 1.00 0.00 C ATOM 1019 CZ PHE A 67 10.279 -3.496 5.096 1.00 0.00 C ATOM 0 H PHE A 67 8.035 -7.273 1.884 1.00 0.00 H new ATOM 0 HA PHE A 67 10.094 -5.614 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.895 -7.695 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 67 11.470 -7.181 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.021 -4.238 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.714 -6.836 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.939 -2.317 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.631 -4.914 6.654 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.241 -2.651 5.767 1.00 0.00 H new ATOM 1029 N GLU A 68 9.751 -8.713 -0.187 1.00 0.00 N ATOM 1030 CA GLU A 68 10.220 -9.729 -1.121 1.00 0.00 C ATOM 1031 C GLU A 68 9.684 -9.463 -2.526 1.00 0.00 C ATOM 1032 O GLU A 68 10.318 -9.819 -3.520 1.00 0.00 O ATOM 1033 CB GLU A 68 9.788 -11.119 -0.654 1.00 0.00 C ATOM 1034 CG GLU A 68 10.116 -11.401 0.803 1.00 0.00 C ATOM 1035 CD GLU A 68 11.480 -12.040 0.980 1.00 0.00 C ATOM 1036 OE1 GLU A 68 12.488 -11.303 0.977 1.00 0.00 O ATOM 1037 OE2 GLU A 68 11.539 -13.280 1.120 1.00 0.00 O ATOM 0 H GLU A 68 8.857 -8.927 0.255 1.00 0.00 H new ATOM 0 HA GLU A 68 11.309 -9.686 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.713 -11.225 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.272 -11.870 -1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.079 -10.469 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.354 -12.058 1.223 1.00 0.00 H new ATOM 1044 N ALA A 69 8.515 -8.835 -2.601 1.00 0.00 N ATOM 1045 CA ALA A 69 7.895 -8.522 -3.885 1.00 0.00 C ATOM 1046 C ALA A 69 8.360 -7.181 -4.423 1.00 0.00 C ATOM 1047 O ALA A 69 8.116 -6.831 -5.577 1.00 0.00 O ATOM 1048 CB ALA A 69 6.387 -8.536 -3.753 1.00 0.00 C ATOM 0 H ALA A 69 7.978 -8.533 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 69 8.203 -9.288 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.935 -8.301 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.059 -9.524 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.079 -7.793 -3.017 1.00 0.00 H new ATOM 1054 N ALA A 70 9.030 -6.448 -3.568 1.00 0.00 N ATOM 1055 CA ALA A 70 9.554 -5.133 -3.914 1.00 0.00 C ATOM 1056 C ALA A 70 10.984 -5.231 -4.434 1.00 0.00 C ATOM 1057 O ALA A 70 11.424 -4.406 -5.236 1.00 0.00 O ATOM 1058 CB ALA A 70 9.491 -4.203 -2.711 1.00 0.00 C ATOM 0 H ALA A 70 9.232 -6.738 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 70 8.932 -4.721 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.886 -3.225 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.456 -4.098 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.086 -4.619 -1.898 1.00 0.00 H new ATOM 1064 N ASP A 71 11.707 -6.248 -3.974 1.00 0.00 N ATOM 1065 CA ASP A 71 13.088 -6.456 -4.391 1.00 0.00 C ATOM 1066 C ASP A 71 13.284 -7.873 -4.932 1.00 0.00 C ATOM 1067 O ASP A 71 13.077 -8.851 -4.213 1.00 0.00 O ATOM 1068 CB ASP A 71 14.038 -6.212 -3.218 1.00 0.00 C ATOM 1069 CG ASP A 71 15.490 -6.153 -3.647 1.00 0.00 C ATOM 1070 OD1 ASP A 71 15.779 -6.491 -4.815 1.00 0.00 O ATOM 1071 OD2 ASP A 71 16.342 -5.771 -2.817 1.00 0.00 O ATOM 0 H ASP A 71 11.358 -6.941 -3.312 1.00 0.00 H new ATOM 0 HA ASP A 71 13.313 -5.746 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.770 -5.277 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.912 -7.006 -2.482 1.00 0.00 H new ATOM 1076 N PRO A 72 13.690 -8.006 -6.210 1.00 0.00 N ATOM 1077 CA PRO A 72 13.911 -9.317 -6.829 1.00 0.00 C ATOM 1078 C PRO A 72 15.074 -10.068 -6.192 1.00 0.00 C ATOM 1079 O PRO A 72 15.002 -11.278 -5.975 1.00 0.00 O ATOM 1080 CB PRO A 72 14.230 -8.978 -8.289 1.00 0.00 C ATOM 1081 CG PRO A 72 14.717 -7.571 -8.258 1.00 0.00 C ATOM 1082 CD PRO A 72 13.966 -6.901 -7.143 1.00 0.00 C ATOM 0 HA PRO A 72 13.048 -9.972 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.987 -9.649 -8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.346 -9.076 -8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.792 -7.533 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.531 -7.072 -9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.559 -6.116 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.047 -6.436 -7.499 1.00 0.00 H new ATOM 1090 N ASN A 73 16.146 -9.342 -5.890 1.00 0.00 N ATOM 1091 CA ASN A 73 17.325 -9.938 -5.274 1.00 0.00 C ATOM 1092 C ASN A 73 17.087 -10.201 -3.789 1.00 0.00 C ATOM 1093 O ASN A 73 17.646 -11.135 -3.217 1.00 0.00 O ATOM 1094 CB ASN A 73 18.537 -9.022 -5.454 1.00 0.00 C ATOM 1095 CG ASN A 73 18.784 -8.669 -6.906 1.00 0.00 C ATOM 1096 OD1 ASN A 73 18.051 -9.102 -7.796 1.00 0.00 O ATOM 1097 ND2 ASN A 73 19.822 -7.878 -7.155 1.00 0.00 N ATOM 0 H ASN A 73 16.222 -8.340 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 73 17.522 -10.890 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 73 18.386 -8.107 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 73 19.422 -9.511 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 73 20.038 -7.607 -8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.403 -7.542 -6.387 1.00 0.00 H new ATOM 1104 N ASN A 74 16.262 -9.360 -3.172 1.00 0.00 N ATOM 1105 CA ASN A 74 15.953 -9.487 -1.754 1.00 0.00 C ATOM 1106 C ASN A 74 17.151 -9.069 -0.917 1.00 0.00 C ATOM 1107 O ASN A 74 17.450 -9.676 0.110 1.00 0.00 O ATOM 1108 CB ASN A 74 15.544 -10.917 -1.402 1.00 0.00 C ATOM 1109 CG ASN A 74 14.561 -11.502 -2.399 1.00 0.00 C ATOM 1110 OD1 ASN A 74 14.954 -12.045 -3.431 1.00 0.00 O ATOM 1111 ND2 ASN A 74 13.273 -11.391 -2.093 1.00 0.00 N ATOM 0 H ASN A 74 15.795 -8.581 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 74 15.112 -8.829 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.433 -11.546 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.099 -10.930 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.565 -11.764 -2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.992 -10.933 -1.226 1.00 0.00 H new ATOM 1118 N THR A 75 17.832 -8.025 -1.369 1.00 0.00 N ATOM 1119 CA THR A 75 19.001 -7.517 -0.669 1.00 0.00 C ATOM 1120 C THR A 75 18.597 -6.461 0.357 1.00 0.00 C ATOM 1121 O THR A 75 19.254 -5.430 0.499 1.00 0.00 O ATOM 1122 CB THR A 75 20.003 -6.932 -1.668 1.00 0.00 C ATOM 1123 OG1 THR A 75 21.005 -6.184 -1.002 1.00 0.00 O ATOM 1124 CG2 THR A 75 19.365 -6.032 -2.702 1.00 0.00 C ATOM 0 H THR A 75 17.594 -7.513 -2.219 1.00 0.00 H new ATOM 0 HA THR A 75 19.474 -8.345 -0.141 1.00 0.00 H new ATOM 0 HB THR A 75 20.432 -7.794 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.589 -5.450 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 75 20.132 -5.653 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.628 -6.598 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.874 -5.196 -2.204 1.00 0.00 H new ATOM 1132 N GLY A 76 17.503 -6.726 1.069 1.00 0.00 N ATOM 1133 CA GLY A 76 17.020 -5.794 2.071 1.00 0.00 C ATOM 1134 C GLY A 76 16.955 -4.370 1.556 1.00 0.00 C ATOM 1135 O GLY A 76 17.058 -3.416 2.328 1.00 0.00 O ATOM 0 H GLY A 76 16.943 -7.572 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.028 -6.103 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.673 -5.832 2.943 1.00 0.00 H new ATOM 1139 N PHE A 77 16.787 -4.228 0.246 1.00 0.00 N ATOM 1140 CA PHE A 77 16.709 -2.915 -0.379 1.00 0.00 C ATOM 1141 C PHE A 77 15.461 -2.814 -1.255 1.00 0.00 C ATOM 1142 O PHE A 77 15.204 -3.681 -2.087 1.00 0.00 O ATOM 1143 CB PHE A 77 17.982 -2.651 -1.200 1.00 0.00 C ATOM 1144 CG PHE A 77 17.757 -1.879 -2.470 1.00 0.00 C ATOM 1145 CD1 PHE A 77 17.397 -0.542 -2.431 1.00 0.00 C ATOM 1146 CD2 PHE A 77 17.906 -2.493 -3.703 1.00 0.00 C ATOM 1147 CE1 PHE A 77 17.191 0.169 -3.598 1.00 0.00 C ATOM 1148 CE2 PHE A 77 17.702 -1.788 -4.874 1.00 0.00 C ATOM 1149 CZ PHE A 77 17.343 -0.455 -4.821 1.00 0.00 C ATOM 0 H PHE A 77 16.702 -5.009 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 77 16.635 -2.154 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 77 18.693 -2.105 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 77 18.444 -3.607 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.276 -0.049 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 77 18.185 -3.535 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.912 1.211 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.823 -2.278 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.181 0.098 -5.734 1.00 0.00 H new ATOM 1159 N ILE A 78 14.689 -1.750 -1.054 1.00 0.00 N ATOM 1160 CA ILE A 78 13.467 -1.538 -1.822 1.00 0.00 C ATOM 1161 C ILE A 78 13.663 -0.498 -2.912 1.00 0.00 C ATOM 1162 O ILE A 78 14.474 0.419 -2.780 1.00 0.00 O ATOM 1163 CB ILE A 78 12.304 -1.055 -0.923 1.00 0.00 C ATOM 1164 CG1 ILE A 78 11.910 -2.122 0.091 1.00 0.00 C ATOM 1165 CG2 ILE A 78 11.092 -0.670 -1.762 1.00 0.00 C ATOM 1166 CD1 ILE A 78 10.768 -1.684 0.980 1.00 0.00 C ATOM 0 H ILE A 78 14.888 -1.023 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 78 13.223 -2.504 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 78 12.654 -0.175 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.626 -3.033 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.774 -2.367 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.288 -0.334 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.363 0.134 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.756 -1.535 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.528 -2.481 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.058 -0.789 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.893 -1.465 0.367 1.00 0.00 H new ATOM 1178 N ASP A 79 12.866 -0.619 -3.962 1.00 0.00 N ATOM 1179 CA ASP A 79 12.891 0.336 -5.050 1.00 0.00 C ATOM 1180 C ASP A 79 11.744 1.313 -4.837 1.00 0.00 C ATOM 1181 O ASP A 79 10.602 1.021 -5.187 1.00 0.00 O ATOM 1182 CB ASP A 79 12.750 -0.372 -6.401 1.00 0.00 C ATOM 1183 CG ASP A 79 13.662 0.217 -7.460 1.00 0.00 C ATOM 1184 OD1 ASP A 79 14.844 0.472 -7.149 1.00 0.00 O ATOM 1185 OD2 ASP A 79 13.194 0.422 -8.600 1.00 0.00 O ATOM 0 H ASP A 79 12.191 -1.375 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 79 13.844 0.866 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.976 -1.431 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.715 -0.304 -6.738 1.00 0.00 H new ATOM 1190 N TYR A 80 12.055 2.453 -4.219 1.00 0.00 N ATOM 1191 CA TYR A 80 11.056 3.477 -3.901 1.00 0.00 C ATOM 1192 C TYR A 80 9.892 3.480 -4.891 1.00 0.00 C ATOM 1193 O TYR A 80 8.735 3.622 -4.498 1.00 0.00 O ATOM 1194 CB TYR A 80 11.709 4.859 -3.871 1.00 0.00 C ATOM 1195 CG TYR A 80 10.795 5.949 -3.356 1.00 0.00 C ATOM 1196 CD1 TYR A 80 10.400 5.980 -2.024 1.00 0.00 C ATOM 1197 CD2 TYR A 80 10.329 6.947 -4.203 1.00 0.00 C ATOM 1198 CE1 TYR A 80 9.565 6.974 -1.552 1.00 0.00 C ATOM 1199 CE2 TYR A 80 9.494 7.946 -3.737 1.00 0.00 C ATOM 1200 CZ TYR A 80 9.116 7.953 -2.411 1.00 0.00 C ATOM 1201 OH TYR A 80 8.285 8.945 -1.942 1.00 0.00 O ATOM 0 H TYR A 80 13.002 2.693 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 80 10.652 3.236 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.600 4.817 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.039 5.118 -4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.751 5.215 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.624 6.942 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.266 6.984 -0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.140 8.716 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 80 8.061 9.557 -2.674 1.00 0.00 H new ATOM 1211 N LYS A 81 10.201 3.321 -6.174 1.00 0.00 N ATOM 1212 CA LYS A 81 9.170 3.304 -7.204 1.00 0.00 C ATOM 1213 C LYS A 81 8.272 2.084 -7.044 1.00 0.00 C ATOM 1214 O LYS A 81 7.054 2.213 -6.915 1.00 0.00 O ATOM 1215 CB LYS A 81 9.804 3.315 -8.596 1.00 0.00 C ATOM 1216 CG LYS A 81 10.420 4.652 -8.975 1.00 0.00 C ATOM 1217 CD LYS A 81 9.569 5.391 -9.997 1.00 0.00 C ATOM 1218 CE LYS A 81 8.390 6.091 -9.341 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.811 6.909 -8.170 1.00 0.00 N ATOM 0 H LYS A 81 11.152 3.203 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 81 8.560 4.200 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.573 2.544 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.046 3.052 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.534 5.267 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.419 4.491 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.183 6.124 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.205 4.687 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.895 6.731 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.659 5.348 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.169 7.720 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.777 6.326 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.781 7.253 -8.317 1.00 0.00 H new ATOM 1233 N ALA A 82 8.877 0.900 -7.040 1.00 0.00 N ATOM 1234 CA ALA A 82 8.125 -0.340 -6.880 1.00 0.00 C ATOM 1235 C ALA A 82 7.239 -0.274 -5.640 1.00 0.00 C ATOM 1236 O ALA A 82 6.200 -0.931 -5.568 1.00 0.00 O ATOM 1237 CB ALA A 82 9.073 -1.527 -6.785 1.00 0.00 C ATOM 0 H ALA A 82 9.884 0.773 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 82 7.488 -0.469 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.497 -2.444 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.670 -1.589 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.732 -1.399 -5.926 1.00 0.00 H new ATOM 1243 N PHE A 83 7.663 0.529 -4.670 1.00 0.00 N ATOM 1244 CA PHE A 83 6.919 0.695 -3.431 1.00 0.00 C ATOM 1245 C PHE A 83 5.924 1.845 -3.545 1.00 0.00 C ATOM 1246 O PHE A 83 4.853 1.816 -2.941 1.00 0.00 O ATOM 1247 CB PHE A 83 7.886 0.944 -2.272 1.00 0.00 C ATOM 1248 CG PHE A 83 7.776 -0.076 -1.177 1.00 0.00 C ATOM 1249 CD1 PHE A 83 8.042 -1.410 -1.434 1.00 0.00 C ATOM 1250 CD2 PHE A 83 7.407 0.296 0.105 1.00 0.00 C ATOM 1251 CE1 PHE A 83 7.941 -2.357 -0.435 1.00 0.00 C ATOM 1252 CE2 PHE A 83 7.304 -0.647 1.111 1.00 0.00 C ATOM 1253 CZ PHE A 83 7.571 -1.975 0.841 1.00 0.00 C ATOM 0 H PHE A 83 8.522 1.076 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 83 6.359 -0.220 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.907 0.948 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.697 1.934 -1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.332 -1.714 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.198 1.333 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.151 -3.394 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.015 -0.345 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.491 -2.713 1.625 1.00 0.00 H new ATOM 1263 N ALA A 84 6.289 2.858 -4.325 1.00 0.00 N ATOM 1264 CA ALA A 84 5.433 4.021 -4.522 1.00 0.00 C ATOM 1265 C ALA A 84 4.311 3.718 -5.510 1.00 0.00 C ATOM 1266 O ALA A 84 3.233 4.305 -5.437 1.00 0.00 O ATOM 1267 CB ALA A 84 6.257 5.206 -5.004 1.00 0.00 C ATOM 0 H ALA A 84 7.174 2.896 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 84 4.979 4.273 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.605 6.068 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.018 5.446 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.738 4.954 -5.949 1.00 0.00 H new ATOM 1273 N ALA A 85 4.573 2.799 -6.435 1.00 0.00 N ATOM 1274 CA ALA A 85 3.584 2.419 -7.439 1.00 0.00 C ATOM 1275 C ALA A 85 2.480 1.563 -6.844 1.00 0.00 C ATOM 1276 O ALA A 85 1.451 1.316 -7.473 1.00 0.00 O ATOM 1277 CB ALA A 85 4.254 1.694 -8.590 1.00 0.00 C ATOM 0 H ALA A 85 5.462 2.304 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 85 3.125 3.334 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.504 1.417 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.995 2.348 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.745 0.795 -8.217 1.00 0.00 H new ATOM 1283 N MET A 86 2.713 1.120 -5.633 1.00 0.00 N ATOM 1284 CA MET A 86 1.759 0.286 -4.912 1.00 0.00 C ATOM 1285 C MET A 86 0.523 1.087 -4.521 1.00 0.00 C ATOM 1286 O MET A 86 -0.592 0.564 -4.514 1.00 0.00 O ATOM 1287 CB MET A 86 2.412 -0.310 -3.664 1.00 0.00 C ATOM 1288 CG MET A 86 1.630 -1.468 -3.063 1.00 0.00 C ATOM 1289 SD MET A 86 0.228 -0.918 -2.072 1.00 0.00 S ATOM 1290 CE MET A 86 1.064 -0.296 -0.616 1.00 0.00 C ATOM 0 H MET A 86 3.566 1.322 -5.112 1.00 0.00 H new ATOM 0 HA MET A 86 1.450 -0.524 -5.573 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.415 -0.652 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.522 0.472 -2.913 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.272 -2.115 -3.864 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.296 -2.068 -2.442 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.769 -0.885 0.252 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.142 -0.371 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.790 0.747 -0.457 1.00 0.00 H new ATOM 1300 N LEU A 87 0.728 2.360 -4.198 1.00 0.00 N ATOM 1301 CA LEU A 87 -0.372 3.237 -3.805 1.00 0.00 C ATOM 1302 C LEU A 87 -0.806 4.134 -4.946 1.00 0.00 C ATOM 1303 O LEU A 87 -1.789 4.871 -4.855 1.00 0.00 O ATOM 1304 CB LEU A 87 0.041 4.090 -2.618 1.00 0.00 C ATOM 1305 CG LEU A 87 0.368 3.314 -1.339 1.00 0.00 C ATOM 1306 CD1 LEU A 87 1.871 3.254 -1.119 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -0.324 3.946 -0.140 1.00 0.00 C ATOM 0 H LEU A 87 1.644 2.808 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.216 2.605 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.914 4.678 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.762 4.795 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.002 2.295 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.083 2.699 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.343 2.755 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.266 4.266 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.080 3.381 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.015 4.976 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.403 3.934 -0.295 1.00 0.00 H new ATOM 1319 N TYR A 88 -0.055 4.050 -6.006 1.00 0.00 N ATOM 1320 CA TYR A 88 -0.305 4.834 -7.211 1.00 0.00 C ATOM 1321 C TYR A 88 -0.418 3.934 -8.438 1.00 0.00 C ATOM 1322 O TYR A 88 -0.220 4.382 -9.567 1.00 0.00 O ATOM 1323 CB TYR A 88 0.809 5.862 -7.417 1.00 0.00 C ATOM 1324 CG TYR A 88 0.989 6.804 -6.248 1.00 0.00 C ATOM 1325 CD1 TYR A 88 -0.104 7.429 -5.660 1.00 0.00 C ATOM 1326 CD2 TYR A 88 2.251 7.071 -5.734 1.00 0.00 C ATOM 1327 CE1 TYR A 88 0.056 8.291 -4.591 1.00 0.00 C ATOM 1328 CE2 TYR A 88 2.419 7.931 -4.666 1.00 0.00 C ATOM 1329 CZ TYR A 88 1.319 8.539 -4.098 1.00 0.00 C ATOM 1330 OH TYR A 88 1.483 9.396 -3.036 1.00 0.00 O ATOM 0 H TYR A 88 0.757 3.436 -6.073 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.253 5.357 -7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.747 5.337 -7.597 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.593 6.445 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.095 7.238 -6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.116 6.599 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.804 8.768 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.408 8.126 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 88 2.435 9.460 -2.811 1.00 0.00 H new ATOM 1340 N SER A 89 -0.738 2.666 -8.208 1.00 0.00 N ATOM 1341 CA SER A 89 -0.878 1.704 -9.296 1.00 0.00 C ATOM 1342 C SER A 89 -2.056 2.067 -10.194 1.00 0.00 C ATOM 1343 O SER A 89 -3.135 1.485 -10.084 1.00 0.00 O ATOM 1344 CB SER A 89 -1.063 0.293 -8.736 1.00 0.00 C ATOM 1345 OG SER A 89 -0.532 -0.680 -9.618 1.00 0.00 O ATOM 0 H SER A 89 -0.905 2.280 -7.279 1.00 0.00 H new ATOM 0 HA SER A 89 0.033 1.733 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.571 0.216 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.123 0.100 -8.572 1.00 0.00 H new ATOM 0 HG SER A 89 -0.661 -1.573 -9.236 1.00 0.00 H new ATOM 1351 N VAL A 90 -1.840 3.031 -11.083 1.00 0.00 N ATOM 1352 CA VAL A 90 -2.885 3.472 -12.000 1.00 0.00 C ATOM 1353 C VAL A 90 -2.304 3.814 -13.368 1.00 0.00 C ATOM 1354 O VAL A 90 -2.759 4.744 -14.035 1.00 0.00 O ATOM 1355 CB VAL A 90 -3.636 4.700 -11.451 1.00 0.00 C ATOM 1356 CG1 VAL A 90 -4.877 4.985 -12.284 1.00 0.00 C ATOM 1357 CG2 VAL A 90 -4.002 4.493 -9.989 1.00 0.00 C ATOM 0 H VAL A 90 -0.952 3.521 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.587 2.644 -12.101 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.976 5.565 -11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.394 5.856 -11.881 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.585 5.182 -13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.542 4.122 -12.253 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.532 5.371 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.643 3.616 -9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.094 4.344 -9.404 1.00 0.00 H new ATOM 1367 N ASP A 91 -1.292 3.056 -13.783 1.00 0.00 N ATOM 1368 CA ASP A 91 -0.648 3.278 -15.071 1.00 0.00 C ATOM 1369 C ASP A 91 -0.686 2.014 -15.924 1.00 0.00 C ATOM 1370 O ASP A 91 -1.144 0.964 -15.475 1.00 0.00 O ATOM 1371 CB ASP A 91 0.800 3.728 -14.869 1.00 0.00 C ATOM 1372 CG ASP A 91 0.909 5.209 -14.567 1.00 0.00 C ATOM 1373 OD1 ASP A 91 -0.043 5.952 -14.887 1.00 0.00 O ATOM 1374 OD2 ASP A 91 1.946 5.627 -14.011 1.00 0.00 O ATOM 0 H ASP A 91 -0.901 2.283 -13.244 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.196 4.063 -15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.243 3.160 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.377 3.499 -15.765 1.00 0.00 H new ATOM 1379 N GLU A 92 -0.200 2.123 -17.158 1.00 0.00 N ATOM 1380 CA GLU A 92 -0.176 0.992 -18.078 1.00 0.00 C ATOM 1381 C GLU A 92 -1.589 0.600 -18.500 1.00 0.00 C ATOM 1382 O GLU A 92 -1.977 0.788 -19.653 1.00 0.00 O ATOM 1383 CB GLU A 92 0.530 -0.207 -17.437 1.00 0.00 C ATOM 1384 CG GLU A 92 1.417 -0.978 -18.402 1.00 0.00 C ATOM 1385 CD GLU A 92 2.003 -2.230 -17.780 1.00 0.00 C ATOM 1386 OE1 GLU A 92 1.246 -2.983 -17.130 1.00 0.00 O ATOM 1387 OE2 GLU A 92 3.221 -2.459 -17.940 1.00 0.00 O ATOM 0 H GLU A 92 0.183 2.986 -17.543 1.00 0.00 H new ATOM 0 HA GLU A 92 0.378 1.295 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.135 0.143 -16.601 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.220 -0.883 -17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.837 -1.252 -19.283 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.227 -0.332 -18.741 1.00 0.00 H new ATOM 1394 N SER A 93 -2.352 0.055 -17.560 1.00 0.00 N ATOM 1395 CA SER A 93 -3.723 -0.363 -17.835 1.00 0.00 C ATOM 1396 C SER A 93 -3.758 -1.427 -18.927 1.00 0.00 C ATOM 1397 O SER A 93 -4.865 -1.733 -19.419 1.00 0.00 O ATOM 1398 CB SER A 93 -4.570 0.840 -18.253 1.00 0.00 C ATOM 1399 OG SER A 93 -5.905 0.708 -17.796 1.00 0.00 O ATOM 1400 OXT SER A 93 -2.679 -1.947 -19.280 1.00 0.00 O ATOM 0 H SER A 93 -2.046 -0.108 -16.601 1.00 0.00 H new ATOM 0 HA SER A 93 -4.137 -0.791 -16.922 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.133 1.754 -17.850 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.562 0.935 -19.339 1.00 0.00 H new ATOM 0 HG SER A 93 -6.425 1.490 -18.075 1.00 0.00 H new TER 1406 SER A 93