USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 84 ASN : amide:sc= 0 K(o=-1.4,f=-2.7) USER MOD Set 1.2: A 99 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.63!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.476 X(o=-0.46,f=-0.23) USER MOD Set 2.2: A 58 CYS SG : rot 180:sc= 0.0173 USER MOD Set 3.1: A 53 THR OG1 : rot 65:sc= 2.09 USER MOD Set 3.2: A 61 SER OG : rot 38:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.124 (180deg=-0.71) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.12) USER MOD Single : A 7 HIS : no HD1:sc= 0.0422 K(o=0.042,f=-1) USER MOD Single : A 8 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.31) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0845 USER MOD Single : A 16 SER OG : rot 50:sc= 0.406 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -164:sc= 0.704 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= -0.733 (180deg=-2.25!) USER MOD Single : A 78 GLN : amide:sc= -0.979 K(o=-0.98,f=-5.1!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.039) USER MOD Single : A 86 CYS SG : rot 99:sc= -2.28! USER MOD Single : A 93 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-0.013) USER MOD Single : A 95 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.116) USER MOD Single : A 101 THR OG1 : rot -120:sc= 0 USER MOD Single : A 103 THR OG1 : rot -177:sc= -0.857 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 108 THR OG1 : rot 107:sc= 1.13 USER MOD Single : A 110 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.746 29.483 -30.521 1.00 0.00 N ATOM 2 CA MET A 1 4.242 30.880 -30.559 1.00 0.00 C ATOM 3 C MET A 1 2.848 30.948 -31.175 1.00 0.00 C ATOM 4 O MET A 1 2.664 30.639 -32.352 1.00 0.00 O ATOM 5 CB MET A 1 5.220 31.730 -31.372 1.00 0.00 C ATOM 6 CG MET A 1 6.595 31.852 -30.735 1.00 0.00 C ATOM 7 SD MET A 1 6.739 33.294 -29.664 1.00 0.00 S ATOM 8 CE MET A 1 6.760 32.517 -28.051 1.00 0.00 C ATOM 0 H1 MET A 1 5.385 29.366 -29.709 1.00 0.00 H new ATOM 0 H2 MET A 1 3.944 28.827 -30.428 1.00 0.00 H new ATOM 0 H3 MET A 1 5.262 29.276 -31.400 1.00 0.00 H new ATOM 0 HA MET A 1 4.169 31.261 -29.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.326 31.296 -32.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.800 32.727 -31.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.804 30.952 -30.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.350 31.910 -31.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.846 33.282 -27.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.837 31.956 -27.905 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.611 31.839 -27.985 1.00 0.00 H new ATOM 20 N LYS A 2 1.870 31.353 -30.372 1.00 0.00 N ATOM 21 CA LYS A 2 0.493 31.460 -30.838 1.00 0.00 C ATOM 22 C LYS A 2 -0.024 30.109 -31.324 1.00 0.00 C ATOM 23 O LYS A 2 -0.857 30.039 -32.229 1.00 0.00 O ATOM 24 CB LYS A 2 0.391 32.495 -31.961 1.00 0.00 C ATOM 25 CG LYS A 2 -0.046 33.870 -31.483 1.00 0.00 C ATOM 26 CD LYS A 2 1.146 34.745 -31.132 1.00 0.00 C ATOM 27 CE LYS A 2 0.717 36.002 -30.391 1.00 0.00 C ATOM 28 NZ LYS A 2 1.516 37.189 -30.803 1.00 0.00 N ATOM 0 H LYS A 2 2.006 31.613 -29.395 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.124 31.783 -30.000 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.360 32.582 -32.453 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.316 32.138 -32.710 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.638 34.355 -32.259 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.690 33.765 -30.610 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.845 34.179 -30.516 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.676 35.022 -32.043 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.340 36.192 -30.580 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.826 35.846 -29.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.193 38.025 -30.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.522 37.018 -30.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.392 37.354 -31.822 1.00 0.00 H new ATOM 42 N GLY A 3 0.477 29.037 -30.718 1.00 0.00 N ATOM 43 CA GLY A 3 0.056 27.702 -31.102 1.00 0.00 C ATOM 44 C GLY A 3 -0.489 26.907 -29.932 1.00 0.00 C ATOM 45 O GLY A 3 -1.479 26.187 -30.069 1.00 0.00 O ATOM 0 H GLY A 3 1.167 29.069 -29.968 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.708 27.774 -31.876 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.901 27.169 -31.537 1.00 0.00 H new ATOM 49 N SER A 4 0.158 27.036 -28.779 1.00 0.00 N ATOM 50 CA SER A 4 -0.267 26.323 -27.580 1.00 0.00 C ATOM 51 C SER A 4 -1.653 26.780 -27.137 1.00 0.00 C ATOM 52 O SER A 4 -2.181 27.771 -27.643 1.00 0.00 O ATOM 53 CB SER A 4 0.740 26.539 -26.449 1.00 0.00 C ATOM 54 OG SER A 4 2.050 26.187 -26.856 1.00 0.00 O ATOM 0 H SER A 4 0.979 27.628 -28.649 1.00 0.00 H new ATOM 0 HA SER A 4 -0.314 25.260 -27.817 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.722 27.583 -26.137 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.452 25.942 -25.583 1.00 0.00 H new ATOM 0 HG SER A 4 2.674 26.336 -26.115 1.00 0.00 H new ATOM 60 N SER A 5 -2.236 26.053 -26.192 1.00 0.00 N ATOM 61 CA SER A 5 -3.562 26.383 -25.681 1.00 0.00 C ATOM 62 C SER A 5 -3.463 27.280 -24.450 1.00 0.00 C ATOM 63 O SER A 5 -2.391 27.428 -23.862 1.00 0.00 O ATOM 64 CB SER A 5 -4.331 25.107 -25.335 1.00 0.00 C ATOM 65 OG SER A 5 -5.729 25.343 -25.317 1.00 0.00 O ATOM 0 H SER A 5 -1.812 25.230 -25.763 1.00 0.00 H new ATOM 0 HA SER A 5 -4.100 26.923 -26.460 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.099 24.330 -26.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.009 24.737 -24.362 1.00 0.00 H new ATOM 0 HG SER A 5 -6.198 24.512 -25.095 1.00 0.00 H new ATOM 71 N HIS A 6 -4.587 27.877 -24.068 1.00 0.00 N ATOM 72 CA HIS A 6 -4.628 28.759 -22.908 1.00 0.00 C ATOM 73 C HIS A 6 -6.053 29.224 -22.628 1.00 0.00 C ATOM 74 O HIS A 6 -6.584 29.011 -21.539 1.00 0.00 O ATOM 75 CB HIS A 6 -3.717 29.969 -23.128 1.00 0.00 C ATOM 76 CG HIS A 6 -3.570 30.835 -21.916 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.586 30.339 -20.630 1.00 0.00 N ATOM 78 CD2 HIS A 6 -3.402 32.174 -21.800 1.00 0.00 C ATOM 79 CE1 HIS A 6 -3.435 31.335 -19.774 1.00 0.00 C ATOM 80 NE2 HIS A 6 -3.321 32.457 -20.458 1.00 0.00 N ATOM 0 H HIS A 6 -5.482 27.766 -24.545 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.272 28.198 -22.044 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.732 29.620 -23.437 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.114 30.569 -23.947 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.343 32.886 -22.610 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.409 31.245 -18.698 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.193 33.385 -20.055 1.00 0.00 H new ATOM 89 N HIS A 7 -6.667 29.861 -23.621 1.00 0.00 N ATOM 90 CA HIS A 7 -8.030 30.356 -23.483 1.00 0.00 C ATOM 91 C HIS A 7 -9.042 29.272 -23.840 1.00 0.00 C ATOM 92 O HIS A 7 -8.846 28.517 -24.793 1.00 0.00 O ATOM 93 CB HIS A 7 -8.243 31.582 -24.375 1.00 0.00 C ATOM 94 CG HIS A 7 -7.870 31.352 -25.806 1.00 0.00 C ATOM 95 ND1 HIS A 7 -6.592 31.534 -26.290 1.00 0.00 N ATOM 96 CD2 HIS A 7 -8.617 30.950 -26.862 1.00 0.00 C ATOM 97 CE1 HIS A 7 -6.569 31.256 -27.582 1.00 0.00 C ATOM 98 NE2 HIS A 7 -7.784 30.898 -27.953 1.00 0.00 N ATOM 0 H HIS A 7 -6.241 30.046 -24.529 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.182 30.641 -22.442 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.290 31.881 -24.324 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.655 32.412 -23.984 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.671 30.714 -26.849 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.703 31.312 -28.225 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.060 30.627 -28.897 1.00 0.00 H new ATOM 107 N HIS A 8 -10.123 29.200 -23.070 1.00 0.00 N ATOM 108 CA HIS A 8 -11.164 28.208 -23.305 1.00 0.00 C ATOM 109 C HIS A 8 -12.527 28.874 -23.460 1.00 0.00 C ATOM 110 O HIS A 8 -13.266 29.034 -22.488 1.00 0.00 O ATOM 111 CB HIS A 8 -11.206 27.199 -22.156 1.00 0.00 C ATOM 112 CG HIS A 8 -11.824 25.888 -22.533 1.00 0.00 C ATOM 113 ND1 HIS A 8 -11.708 25.334 -23.791 1.00 0.00 N ATOM 114 CD2 HIS A 8 -12.566 25.017 -21.808 1.00 0.00 C ATOM 115 CE1 HIS A 8 -12.354 24.182 -23.824 1.00 0.00 C ATOM 116 NE2 HIS A 8 -12.882 23.967 -22.634 1.00 0.00 N ATOM 0 H HIS A 8 -10.300 29.818 -22.278 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.928 27.685 -24.231 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.191 27.024 -21.800 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.765 27.630 -21.325 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.855 25.128 -20.773 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.436 23.528 -24.679 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.436 23.152 -22.370 1.00 0.00 H new ATOM 125 N HIS A 9 -12.855 29.261 -24.689 1.00 0.00 N ATOM 126 CA HIS A 9 -14.129 29.911 -24.972 1.00 0.00 C ATOM 127 C HIS A 9 -14.994 29.038 -25.876 1.00 0.00 C ATOM 128 O HIS A 9 -15.027 29.226 -27.091 1.00 0.00 O ATOM 129 CB HIS A 9 -13.896 31.272 -25.629 1.00 0.00 C ATOM 130 CG HIS A 9 -13.538 32.352 -24.656 1.00 0.00 C ATOM 131 ND1 HIS A 9 -12.235 32.685 -24.348 1.00 0.00 N ATOM 132 CD2 HIS A 9 -14.320 33.178 -23.922 1.00 0.00 C ATOM 133 CE1 HIS A 9 -12.232 33.668 -23.464 1.00 0.00 C ATOM 134 NE2 HIS A 9 -13.484 33.986 -23.190 1.00 0.00 N ATOM 0 H HIS A 9 -12.256 29.135 -25.505 1.00 0.00 H new ATOM 0 HA HIS A 9 -14.653 30.057 -24.027 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.098 31.179 -26.366 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -14.796 31.565 -26.169 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.400 33.198 -23.913 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.355 34.132 -23.038 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.782 34.714 -22.540 1.00 0.00 H new ATOM 143 N HIS A 10 -15.693 28.082 -25.272 1.00 0.00 N ATOM 144 CA HIS A 10 -16.558 27.178 -26.023 1.00 0.00 C ATOM 145 C HIS A 10 -18.014 27.628 -25.945 1.00 0.00 C ATOM 146 O HIS A 10 -18.926 26.802 -25.902 1.00 0.00 O ATOM 147 CB HIS A 10 -16.423 25.751 -25.490 1.00 0.00 C ATOM 148 CG HIS A 10 -15.321 24.972 -26.138 1.00 0.00 C ATOM 149 ND1 HIS A 10 -14.161 25.554 -26.603 1.00 0.00 N ATOM 150 CD2 HIS A 10 -15.206 23.647 -26.398 1.00 0.00 C ATOM 151 CE1 HIS A 10 -13.380 24.622 -27.120 1.00 0.00 C ATOM 152 NE2 HIS A 10 -13.991 23.457 -27.007 1.00 0.00 N ATOM 0 H HIS A 10 -15.678 27.913 -24.266 1.00 0.00 H new ATOM 0 HA HIS A 10 -16.246 27.199 -27.067 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -16.247 25.789 -24.415 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -17.366 25.225 -25.640 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.934 22.883 -26.169 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.407 24.785 -27.560 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.620 22.561 -27.322 1.00 0.00 H new ATOM 161 N HIS A 11 -18.223 28.940 -25.927 1.00 0.00 N ATOM 162 CA HIS A 11 -19.570 29.496 -25.855 1.00 0.00 C ATOM 163 C HIS A 11 -20.404 29.056 -27.054 1.00 0.00 C ATOM 164 O HIS A 11 -21.464 28.450 -26.896 1.00 0.00 O ATOM 165 CB HIS A 11 -19.509 31.024 -25.793 1.00 0.00 C ATOM 166 CG HIS A 11 -20.497 31.623 -24.841 1.00 0.00 C ATOM 167 ND1 HIS A 11 -21.805 31.194 -24.743 1.00 0.00 N ATOM 168 CD2 HIS A 11 -20.364 32.624 -23.938 1.00 0.00 C ATOM 169 CE1 HIS A 11 -22.432 31.905 -23.823 1.00 0.00 C ATOM 170 NE2 HIS A 11 -21.580 32.778 -23.320 1.00 0.00 N ATOM 0 H HIS A 11 -17.479 29.637 -25.961 1.00 0.00 H new ATOM 0 HA HIS A 11 -20.045 29.121 -24.948 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -18.504 31.328 -25.500 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -19.686 31.428 -26.790 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -19.468 33.194 -23.741 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -23.466 31.791 -23.532 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -21.791 33.458 -22.589 1.00 0.00 H new ATOM 179 N SER A 12 -19.919 29.365 -28.252 1.00 0.00 N ATOM 180 CA SER A 12 -20.619 29.000 -29.479 1.00 0.00 C ATOM 181 C SER A 12 -19.824 27.968 -30.271 1.00 0.00 C ATOM 182 O SER A 12 -19.859 27.954 -31.502 1.00 0.00 O ATOM 183 CB SER A 12 -20.865 30.241 -30.338 1.00 0.00 C ATOM 184 OG SER A 12 -19.675 30.992 -30.504 1.00 0.00 O ATOM 0 H SER A 12 -19.044 29.867 -28.400 1.00 0.00 H new ATOM 0 HA SER A 12 -21.578 28.561 -29.205 1.00 0.00 H new ATOM 0 HB2 SER A 12 -21.248 29.941 -31.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 -21.629 30.863 -29.872 1.00 0.00 H new ATOM 0 HG SER A 12 -19.859 31.779 -31.058 1.00 0.00 H new ATOM 190 N SER A 13 -19.107 27.105 -29.557 1.00 0.00 N ATOM 191 CA SER A 13 -18.303 26.070 -30.195 1.00 0.00 C ATOM 192 C SER A 13 -18.257 24.811 -29.335 1.00 0.00 C ATOM 193 O SER A 13 -17.268 24.077 -29.342 1.00 0.00 O ATOM 194 CB SER A 13 -16.884 26.580 -30.448 1.00 0.00 C ATOM 195 OG SER A 13 -16.895 27.932 -30.872 1.00 0.00 O ATOM 0 H SER A 13 -19.067 27.103 -28.538 1.00 0.00 H new ATOM 0 HA SER A 13 -18.767 25.821 -31.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.293 26.486 -29.537 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.402 25.962 -31.206 1.00 0.00 H new ATOM 0 HG SER A 13 -15.975 28.234 -31.025 1.00 0.00 H new ATOM 201 N GLY A 14 -19.332 24.565 -28.594 1.00 0.00 N ATOM 202 CA GLY A 14 -19.394 23.394 -27.740 1.00 0.00 C ATOM 203 C GLY A 14 -20.712 23.283 -27.000 1.00 0.00 C ATOM 204 O GLY A 14 -20.864 23.823 -25.904 1.00 0.00 O ATOM 0 H GLY A 14 -20.162 25.157 -28.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -19.244 22.499 -28.344 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -18.578 23.431 -27.018 1.00 0.00 H new ATOM 208 N ALA A 15 -21.669 22.584 -27.602 1.00 0.00 N ATOM 209 CA ALA A 15 -22.982 22.405 -26.993 1.00 0.00 C ATOM 210 C ALA A 15 -23.075 21.066 -26.270 1.00 0.00 C ATOM 211 O ALA A 15 -23.503 20.999 -25.118 1.00 0.00 O ATOM 212 CB ALA A 15 -24.071 22.514 -28.049 1.00 0.00 C ATOM 0 H ALA A 15 -21.560 22.133 -28.510 1.00 0.00 H new ATOM 0 HA ALA A 15 -23.124 23.195 -26.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -25.046 22.378 -27.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -24.027 23.497 -28.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -23.922 21.744 -28.806 1.00 0.00 H new ATOM 218 N SER A 16 -22.670 20.000 -26.954 1.00 0.00 N ATOM 219 CA SER A 16 -22.708 18.662 -26.378 1.00 0.00 C ATOM 220 C SER A 16 -21.563 18.464 -25.389 1.00 0.00 C ATOM 221 O SER A 16 -20.546 17.852 -25.715 1.00 0.00 O ATOM 222 CB SER A 16 -22.632 17.606 -27.481 1.00 0.00 C ATOM 223 OG SER A 16 -21.501 17.812 -28.310 1.00 0.00 O ATOM 0 H SER A 16 -22.312 20.038 -27.908 1.00 0.00 H new ATOM 0 HA SER A 16 -23.651 18.550 -25.843 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.583 16.613 -27.035 1.00 0.00 H new ATOM 0 HB3 SER A 16 -23.539 17.640 -28.084 1.00 0.00 H new ATOM 0 HG SER A 16 -20.701 17.913 -27.753 1.00 0.00 H new ATOM 229 N LEU A 17 -21.738 18.985 -24.178 1.00 0.00 N ATOM 230 CA LEU A 17 -20.719 18.865 -23.141 1.00 0.00 C ATOM 231 C LEU A 17 -21.355 18.827 -21.755 1.00 0.00 C ATOM 232 O LEU A 17 -20.749 19.258 -20.773 1.00 0.00 O ATOM 233 CB LEU A 17 -19.732 20.030 -23.231 1.00 0.00 C ATOM 234 CG LEU A 17 -18.445 19.853 -22.422 1.00 0.00 C ATOM 235 CD1 LEU A 17 -17.379 19.167 -23.261 1.00 0.00 C ATOM 236 CD2 LEU A 17 -17.945 21.198 -21.918 1.00 0.00 C ATOM 0 H LEU A 17 -22.574 19.493 -23.891 1.00 0.00 H new ATOM 0 HA LEU A 17 -20.182 17.930 -23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -19.467 20.182 -24.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -20.233 20.937 -22.894 1.00 0.00 H new ATOM 0 HG LEU A 17 -18.662 19.222 -21.560 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -16.471 19.049 -22.670 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -17.738 18.187 -23.574 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.163 19.773 -24.141 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -17.029 21.054 -21.345 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -17.743 21.852 -22.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -18.704 21.653 -21.281 1.00 0.00 H new ATOM 248 N VAL A 18 -22.577 18.312 -21.681 1.00 0.00 N ATOM 249 CA VAL A 18 -23.293 18.220 -20.414 1.00 0.00 C ATOM 250 C VAL A 18 -22.909 16.955 -19.644 1.00 0.00 C ATOM 251 O VAL A 18 -22.650 17.012 -18.442 1.00 0.00 O ATOM 252 CB VAL A 18 -24.821 18.240 -20.619 1.00 0.00 C ATOM 253 CG1 VAL A 18 -25.533 18.498 -19.299 1.00 0.00 C ATOM 254 CG2 VAL A 18 -25.211 19.285 -21.654 1.00 0.00 C ATOM 0 H VAL A 18 -23.093 17.952 -22.484 1.00 0.00 H new ATOM 0 HA VAL A 18 -23.003 19.095 -19.833 1.00 0.00 H new ATOM 0 HB VAL A 18 -25.130 17.263 -20.990 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -26.611 18.509 -19.463 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -25.282 17.709 -18.590 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -25.217 19.461 -18.898 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -26.293 19.283 -21.784 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.888 20.270 -21.316 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -24.731 19.052 -22.605 1.00 0.00 H new ATOM 264 N PRO A 19 -22.865 15.792 -20.323 1.00 0.00 N ATOM 265 CA PRO A 19 -22.509 14.523 -19.680 1.00 0.00 C ATOM 266 C PRO A 19 -21.204 14.616 -18.896 1.00 0.00 C ATOM 267 O PRO A 19 -21.182 14.419 -17.681 1.00 0.00 O ATOM 268 CB PRO A 19 -22.355 13.557 -20.857 1.00 0.00 C ATOM 269 CG PRO A 19 -23.217 14.127 -21.928 1.00 0.00 C ATOM 270 CD PRO A 19 -23.156 15.619 -21.760 1.00 0.00 C ATOM 0 HA PRO A 19 -23.258 14.213 -18.952 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -21.316 13.488 -21.179 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -22.673 12.550 -20.587 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -22.860 13.831 -22.915 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.241 13.766 -21.838 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -22.379 16.062 -22.383 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.097 16.093 -22.039 1.00 0.00 H new ATOM 278 N ARG A 20 -20.117 14.917 -19.600 1.00 0.00 N ATOM 279 CA ARG A 20 -18.807 15.037 -18.970 1.00 0.00 C ATOM 280 C ARG A 20 -18.698 16.339 -18.184 1.00 0.00 C ATOM 281 O ARG A 20 -18.859 17.427 -18.739 1.00 0.00 O ATOM 282 CB ARG A 20 -17.703 14.973 -20.027 1.00 0.00 C ATOM 283 CG ARG A 20 -17.911 15.936 -21.184 1.00 0.00 C ATOM 284 CD ARG A 20 -18.459 15.225 -22.412 1.00 0.00 C ATOM 285 NE ARG A 20 -17.913 15.772 -23.652 1.00 0.00 N ATOM 286 CZ ARG A 20 -18.098 15.223 -24.850 1.00 0.00 C ATOM 287 NH1 ARG A 20 -18.813 14.111 -24.974 1.00 0.00 N ATOM 288 NH2 ARG A 20 -17.567 15.787 -25.927 1.00 0.00 N ATOM 0 H ARG A 20 -20.118 15.082 -20.607 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.687 14.204 -18.277 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.745 15.189 -19.553 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.644 13.957 -20.417 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.600 16.725 -20.882 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.965 16.417 -21.433 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.224 14.162 -22.350 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.546 15.311 -22.426 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.357 16.625 -23.596 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.223 13.674 -24.149 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.952 13.694 -25.894 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.017 16.641 -25.837 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.709 15.366 -26.845 1.00 0.00 H new ATOM 302 N GLY A 21 -18.425 16.220 -16.889 1.00 0.00 N ATOM 303 CA GLY A 21 -18.299 17.396 -16.047 1.00 0.00 C ATOM 304 C GLY A 21 -18.755 17.141 -14.624 1.00 0.00 C ATOM 305 O GLY A 21 -19.920 17.362 -14.289 1.00 0.00 O ATOM 0 H GLY A 21 -18.289 15.331 -16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.259 17.724 -16.039 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.886 18.209 -16.473 1.00 0.00 H new ATOM 309 N SER A 22 -17.836 16.678 -13.784 1.00 0.00 N ATOM 310 CA SER A 22 -18.150 16.393 -12.388 1.00 0.00 C ATOM 311 C SER A 22 -17.780 17.574 -11.495 1.00 0.00 C ATOM 312 O SER A 22 -16.759 18.228 -11.708 1.00 0.00 O ATOM 313 CB SER A 22 -17.412 15.137 -11.923 1.00 0.00 C ATOM 314 OG SER A 22 -18.218 14.366 -11.049 1.00 0.00 O ATOM 0 H SER A 22 -16.868 16.492 -14.045 1.00 0.00 H new ATOM 0 HA SER A 22 -19.224 16.224 -12.311 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.130 14.536 -12.788 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.489 15.420 -11.417 1.00 0.00 H new ATOM 0 HG SER A 22 -17.724 13.568 -10.767 1.00 0.00 H new ATOM 320 N GLU A 23 -18.616 17.840 -10.498 1.00 0.00 N ATOM 321 CA GLU A 23 -18.378 18.941 -9.573 1.00 0.00 C ATOM 322 C GLU A 23 -17.502 18.492 -8.407 1.00 0.00 C ATOM 323 O GLU A 23 -17.344 17.296 -8.161 1.00 0.00 O ATOM 324 CB GLU A 23 -19.704 19.491 -9.047 1.00 0.00 C ATOM 325 CG GLU A 23 -19.711 21.002 -8.876 1.00 0.00 C ATOM 326 CD GLU A 23 -19.328 21.430 -7.473 1.00 0.00 C ATOM 327 OE1 GLU A 23 -19.492 20.619 -6.539 1.00 0.00 O ATOM 328 OE2 GLU A 23 -18.866 22.579 -7.310 1.00 0.00 O ATOM 0 H GLU A 23 -19.465 17.308 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.856 19.730 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -20.503 19.208 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.926 19.024 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.019 21.448 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.703 21.386 -9.111 1.00 0.00 H new ATOM 335 N GLY A 24 -16.936 19.459 -7.692 1.00 0.00 N ATOM 336 CA GLY A 24 -16.083 19.143 -6.560 1.00 0.00 C ATOM 337 C GLY A 24 -14.618 19.410 -6.847 1.00 0.00 C ATOM 338 O GLY A 24 -14.273 19.953 -7.896 1.00 0.00 O ATOM 0 H GLY A 24 -17.052 20.456 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.395 19.733 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.213 18.094 -6.293 1.00 0.00 H new ATOM 342 N ALA A 25 -13.756 19.029 -5.910 1.00 0.00 N ATOM 343 CA ALA A 25 -12.320 19.231 -6.065 1.00 0.00 C ATOM 344 C ALA A 25 -11.566 17.908 -5.970 1.00 0.00 C ATOM 345 O ALA A 25 -10.686 17.626 -6.782 1.00 0.00 O ATOM 346 CB ALA A 25 -11.809 20.208 -5.018 1.00 0.00 C ATOM 0 H ALA A 25 -14.027 18.579 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.142 19.650 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.736 20.349 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.318 21.165 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.007 19.811 -4.022 1.00 0.00 H new ATOM 352 N ALA A 26 -11.919 17.103 -4.974 1.00 0.00 N ATOM 353 CA ALA A 26 -11.276 15.811 -4.772 1.00 0.00 C ATOM 354 C ALA A 26 -12.306 14.689 -4.700 1.00 0.00 C ATOM 355 O ALA A 26 -12.085 13.672 -4.042 1.00 0.00 O ATOM 356 CB ALA A 26 -10.429 15.834 -3.508 1.00 0.00 C ATOM 0 H ALA A 26 -12.647 17.323 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.628 15.619 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.955 14.862 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.662 16.603 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.063 16.054 -2.649 1.00 0.00 H new ATOM 362 N THR A 27 -13.431 14.879 -5.383 1.00 0.00 N ATOM 363 CA THR A 27 -14.491 13.878 -5.398 1.00 0.00 C ATOM 364 C THR A 27 -13.972 12.555 -5.955 1.00 0.00 C ATOM 365 O THR A 27 -14.438 11.483 -5.572 1.00 0.00 O ATOM 366 CB THR A 27 -15.681 14.368 -6.229 1.00 0.00 C ATOM 367 OG1 THR A 27 -15.342 15.534 -6.961 1.00 0.00 O ATOM 368 CG2 THR A 27 -16.903 14.687 -5.394 1.00 0.00 C ATOM 0 H THR A 27 -13.631 15.715 -5.932 1.00 0.00 H new ATOM 0 HA THR A 27 -14.823 13.718 -4.372 1.00 0.00 H new ATOM 0 HB THR A 27 -15.923 13.542 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 27 -16.160 15.973 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.709 15.028 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.222 13.792 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.659 15.470 -4.677 1.00 0.00 H new ATOM 376 N MET A 28 -13.002 12.645 -6.859 1.00 0.00 N ATOM 377 CA MET A 28 -12.412 11.461 -7.469 1.00 0.00 C ATOM 378 C MET A 28 -10.977 11.257 -6.988 1.00 0.00 C ATOM 379 O MET A 28 -10.475 10.134 -6.964 1.00 0.00 O ATOM 380 CB MET A 28 -12.438 11.580 -8.994 1.00 0.00 C ATOM 381 CG MET A 28 -12.692 10.260 -9.703 1.00 0.00 C ATOM 382 SD MET A 28 -12.617 10.410 -11.498 1.00 0.00 S ATOM 383 CE MET A 28 -14.230 9.779 -11.958 1.00 0.00 C ATOM 0 H MET A 28 -12.608 13.527 -7.185 1.00 0.00 H new ATOM 0 HA MET A 28 -13.003 10.596 -7.168 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.212 12.292 -9.281 1.00 0.00 H new ATOM 0 HB3 MET A 28 -11.487 11.989 -9.334 1.00 0.00 H new ATOM 0 HG2 MET A 28 -11.956 9.527 -9.373 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.672 9.880 -9.415 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.336 9.808 -13.042 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.331 8.751 -11.610 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.005 10.394 -11.501 1.00 0.00 H new ATOM 393 N GLU A 29 -10.323 12.350 -6.603 1.00 0.00 N ATOM 394 CA GLU A 29 -8.947 12.287 -6.123 1.00 0.00 C ATOM 395 C GLU A 29 -8.845 11.409 -4.881 1.00 0.00 C ATOM 396 O GLU A 29 -9.203 11.828 -3.780 1.00 0.00 O ATOM 397 CB GLU A 29 -8.429 13.692 -5.812 1.00 0.00 C ATOM 398 CG GLU A 29 -6.956 13.883 -6.134 1.00 0.00 C ATOM 399 CD GLU A 29 -6.687 13.941 -7.625 1.00 0.00 C ATOM 400 OE1 GLU A 29 -7.437 14.643 -8.336 1.00 0.00 O ATOM 401 OE2 GLU A 29 -5.729 13.283 -8.081 1.00 0.00 O ATOM 0 H GLU A 29 -10.724 13.288 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.334 11.847 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.013 14.419 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.592 13.904 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.603 14.803 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.383 13.065 -5.697 1.00 0.00 H new ATOM 408 N LEU A 30 -8.354 10.187 -5.065 1.00 0.00 N ATOM 409 CA LEU A 30 -8.204 9.248 -3.959 1.00 0.00 C ATOM 410 C LEU A 30 -9.551 8.959 -3.304 1.00 0.00 C ATOM 411 O LEU A 30 -10.125 9.818 -2.636 1.00 0.00 O ATOM 412 CB LEU A 30 -7.229 9.805 -2.920 1.00 0.00 C ATOM 413 CG LEU A 30 -5.751 9.710 -3.303 1.00 0.00 C ATOM 414 CD1 LEU A 30 -5.462 10.560 -4.530 1.00 0.00 C ATOM 415 CD2 LEU A 30 -4.870 10.136 -2.137 1.00 0.00 C ATOM 0 H LEU A 30 -8.053 9.824 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.807 8.315 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.475 10.851 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.380 9.273 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.524 8.672 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.406 10.480 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.067 10.209 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.706 11.601 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.822 10.062 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.100 11.166 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.057 9.485 -1.283 1.00 0.00 H new ATOM 427 N SER A 31 -10.049 7.742 -3.501 1.00 0.00 N ATOM 428 CA SER A 31 -11.328 7.338 -2.930 1.00 0.00 C ATOM 429 C SER A 31 -11.214 5.978 -2.249 1.00 0.00 C ATOM 430 O SER A 31 -10.240 5.252 -2.449 1.00 0.00 O ATOM 431 CB SER A 31 -12.403 7.289 -4.017 1.00 0.00 C ATOM 432 OG SER A 31 -13.651 7.743 -3.522 1.00 0.00 O ATOM 0 H SER A 31 -9.586 7.019 -4.052 1.00 0.00 H new ATOM 0 HA SER A 31 -11.613 8.077 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.098 7.905 -4.863 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.504 6.269 -4.387 1.00 0.00 H new ATOM 0 HG SER A 31 -14.320 7.703 -4.237 1.00 0.00 H new ATOM 438 N ALA A 32 -12.216 5.639 -1.444 1.00 0.00 N ATOM 439 CA ALA A 32 -12.228 4.366 -0.734 1.00 0.00 C ATOM 440 C ALA A 32 -12.184 3.193 -1.707 1.00 0.00 C ATOM 441 O ALA A 32 -11.438 2.235 -1.505 1.00 0.00 O ATOM 442 CB ALA A 32 -13.459 4.270 0.154 1.00 0.00 C ATOM 0 H ALA A 32 -13.030 6.228 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.336 4.319 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.456 3.314 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.448 5.083 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.357 4.344 -0.460 1.00 0.00 H new ATOM 448 N ASP A 33 -12.987 3.276 -2.763 1.00 0.00 N ATOM 449 CA ASP A 33 -13.039 2.221 -3.769 1.00 0.00 C ATOM 450 C ASP A 33 -11.718 2.125 -4.524 1.00 0.00 C ATOM 451 O ASP A 33 -11.313 1.043 -4.952 1.00 0.00 O ATOM 452 CB ASP A 33 -14.183 2.479 -4.750 1.00 0.00 C ATOM 453 CG ASP A 33 -14.873 1.201 -5.183 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.365 0.464 -4.303 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.921 0.936 -6.403 1.00 0.00 O ATOM 0 H ASP A 33 -13.610 4.063 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.215 1.274 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.912 3.143 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.795 2.995 -5.628 1.00 0.00 H new ATOM 460 N TYR A 34 -11.049 3.262 -4.686 1.00 0.00 N ATOM 461 CA TYR A 34 -9.774 3.307 -5.391 1.00 0.00 C ATOM 462 C TYR A 34 -8.735 2.434 -4.693 1.00 0.00 C ATOM 463 O TYR A 34 -8.118 1.569 -5.313 1.00 0.00 O ATOM 464 CB TYR A 34 -9.267 4.747 -5.483 1.00 0.00 C ATOM 465 CG TYR A 34 -8.083 4.917 -6.408 1.00 0.00 C ATOM 466 CD1 TYR A 34 -8.116 4.423 -7.706 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.933 5.571 -5.983 1.00 0.00 C ATOM 468 CE1 TYR A 34 -7.036 4.575 -8.555 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.850 5.727 -6.826 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.906 5.228 -8.110 1.00 0.00 C ATOM 471 OH TYR A 34 -4.828 5.382 -8.952 1.00 0.00 O ATOM 0 H TYR A 34 -11.370 4.166 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.931 2.920 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.080 5.388 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.990 5.090 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.000 3.912 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.885 5.963 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.077 4.185 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.963 6.238 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.114 5.865 -8.485 1.00 0.00 H new ATOM 481 N LEU A 35 -8.547 2.669 -3.398 1.00 0.00 N ATOM 482 CA LEU A 35 -7.583 1.904 -2.614 1.00 0.00 C ATOM 483 C LEU A 35 -8.070 0.476 -2.393 1.00 0.00 C ATOM 484 O LEU A 35 -7.270 -0.453 -2.281 1.00 0.00 O ATOM 485 CB LEU A 35 -7.336 2.586 -1.267 1.00 0.00 C ATOM 486 CG LEU A 35 -7.106 4.095 -1.337 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.933 4.676 0.059 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.892 4.409 -2.199 1.00 0.00 C ATOM 0 H LEU A 35 -9.049 3.383 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.647 1.866 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.190 2.394 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.468 2.123 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.982 4.555 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.770 5.751 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.830 4.483 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.074 4.210 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.743 5.488 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.009 3.936 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.054 4.028 -3.208 1.00 0.00 H new ATOM 500 N ARG A 36 -9.388 0.307 -2.331 1.00 0.00 N ATOM 501 CA ARG A 36 -9.981 -1.008 -2.123 1.00 0.00 C ATOM 502 C ARG A 36 -9.740 -1.912 -3.327 1.00 0.00 C ATOM 503 O ARG A 36 -9.122 -2.970 -3.208 1.00 0.00 O ATOM 504 CB ARG A 36 -11.483 -0.878 -1.863 1.00 0.00 C ATOM 505 CG ARG A 36 -12.141 -2.177 -1.429 1.00 0.00 C ATOM 506 CD ARG A 36 -13.626 -2.187 -1.754 1.00 0.00 C ATOM 507 NE ARG A 36 -14.080 -3.503 -2.196 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.256 -3.723 -2.781 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.098 -2.719 -2.994 1.00 0.00 N ATOM 510 NH2 ARG A 36 -15.592 -4.950 -3.153 1.00 0.00 N ATOM 0 H ARG A 36 -10.064 1.065 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.505 -1.458 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.646 -0.123 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.970 -0.519 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.654 -3.016 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.001 -2.316 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.192 -1.885 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.832 -1.452 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.460 -4.300 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.846 -1.773 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.997 -2.894 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.950 -5.726 -2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.493 -5.118 -3.601 1.00 0.00 H new ATOM 524 N GLU A 37 -10.232 -1.489 -4.487 1.00 0.00 N ATOM 525 CA GLU A 37 -10.070 -2.261 -5.713 1.00 0.00 C ATOM 526 C GLU A 37 -8.595 -2.438 -6.056 1.00 0.00 C ATOM 527 O GLU A 37 -8.198 -3.452 -6.629 1.00 0.00 O ATOM 528 CB GLU A 37 -10.796 -1.575 -6.872 1.00 0.00 C ATOM 529 CG GLU A 37 -12.305 -1.522 -6.699 1.00 0.00 C ATOM 530 CD GLU A 37 -13.049 -1.756 -7.999 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.646 -1.175 -9.028 1.00 0.00 O ATOM 532 OE2 GLU A 37 -14.035 -2.524 -7.989 1.00 0.00 O ATOM 0 H GLU A 37 -10.746 -0.616 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.507 -3.247 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.415 -0.559 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.563 -2.101 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.610 -2.273 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.587 -0.550 -6.293 1.00 0.00 H new ATOM 539 N LYS A 38 -7.787 -1.444 -5.702 1.00 0.00 N ATOM 540 CA LYS A 38 -6.355 -1.490 -5.973 1.00 0.00 C ATOM 541 C LYS A 38 -5.678 -2.577 -5.145 1.00 0.00 C ATOM 542 O LYS A 38 -5.014 -3.460 -5.687 1.00 0.00 O ATOM 543 CB LYS A 38 -5.714 -0.133 -5.675 1.00 0.00 C ATOM 544 CG LYS A 38 -4.226 -0.083 -5.976 1.00 0.00 C ATOM 545 CD LYS A 38 -3.785 1.315 -6.380 1.00 0.00 C ATOM 546 CE LYS A 38 -2.338 1.330 -6.846 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.209 0.918 -8.270 1.00 0.00 N ATOM 0 H LYS A 38 -8.099 -0.597 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.219 -1.725 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.220 0.635 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.872 0.111 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.665 -0.403 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.992 -0.785 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.429 1.684 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.903 1.993 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.926 2.331 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.748 0.661 -6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.207 0.941 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.578 -0.047 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.751 1.571 -8.871 1.00 0.00 H new ATOM 561 N LEU A 39 -5.850 -2.507 -3.829 1.00 0.00 N ATOM 562 CA LEU A 39 -5.256 -3.485 -2.926 1.00 0.00 C ATOM 563 C LEU A 39 -5.833 -4.875 -3.173 1.00 0.00 C ATOM 564 O LEU A 39 -5.102 -5.865 -3.211 1.00 0.00 O ATOM 565 CB LEU A 39 -5.487 -3.075 -1.471 1.00 0.00 C ATOM 566 CG LEU A 39 -4.915 -1.710 -1.085 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.646 -1.150 0.126 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.424 -1.816 -0.807 1.00 0.00 C ATOM 0 H LEU A 39 -6.397 -1.782 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.184 -3.517 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.559 -3.071 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.048 -3.833 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.060 -1.026 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.226 -0.178 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.705 -1.037 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.532 -1.833 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.034 -0.835 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.255 -2.515 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.912 -2.174 -1.700 1.00 0.00 H new ATOM 580 N ARG A 40 -7.150 -4.942 -3.338 1.00 0.00 N ATOM 581 CA ARG A 40 -7.828 -6.211 -3.581 1.00 0.00 C ATOM 582 C ARG A 40 -7.297 -6.885 -4.833 1.00 0.00 C ATOM 583 O ARG A 40 -6.975 -8.072 -4.821 1.00 0.00 O ATOM 584 CB ARG A 40 -9.337 -5.994 -3.703 1.00 0.00 C ATOM 585 CG ARG A 40 -10.148 -7.271 -3.565 1.00 0.00 C ATOM 586 CD ARG A 40 -11.547 -7.108 -4.136 1.00 0.00 C ATOM 587 NE ARG A 40 -12.348 -8.320 -3.979 1.00 0.00 N ATOM 588 CZ ARG A 40 -13.454 -8.573 -4.675 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.893 -7.703 -5.576 1.00 0.00 N ATOM 590 NH2 ARG A 40 -14.122 -9.701 -4.470 1.00 0.00 N ATOM 0 H ARG A 40 -7.770 -4.132 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.630 -6.864 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.657 -5.286 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.553 -5.539 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.637 -8.085 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.214 -7.550 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.047 -6.277 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.479 -6.853 -5.194 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.042 -9.013 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.382 -6.835 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.741 -7.902 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.788 -10.373 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.970 -9.896 -5.003 1.00 0.00 H new ATOM 604 N GLN A 41 -7.209 -6.125 -5.910 1.00 0.00 N ATOM 605 CA GLN A 41 -6.717 -6.662 -7.166 1.00 0.00 C ATOM 606 C GLN A 41 -5.202 -6.838 -7.132 1.00 0.00 C ATOM 607 O GLN A 41 -4.678 -7.874 -7.539 1.00 0.00 O ATOM 608 CB GLN A 41 -7.118 -5.757 -8.331 1.00 0.00 C ATOM 609 CG GLN A 41 -8.622 -5.621 -8.508 1.00 0.00 C ATOM 610 CD GLN A 41 -9.105 -6.165 -9.839 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.583 -7.296 -9.925 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.981 -5.358 -10.887 1.00 0.00 N ATOM 0 H GLN A 41 -7.470 -5.139 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.171 -7.642 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.688 -4.767 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.687 -6.151 -9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.128 -6.148 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.900 -4.570 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.579 -4.428 -10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.288 -5.668 -11.809 1.00 0.00 H new ATOM 621 N ASP A 42 -4.504 -5.819 -6.643 1.00 0.00 N ATOM 622 CA ASP A 42 -3.048 -5.862 -6.555 1.00 0.00 C ATOM 623 C ASP A 42 -2.588 -7.025 -5.683 1.00 0.00 C ATOM 624 O ASP A 42 -1.867 -7.911 -6.142 1.00 0.00 O ATOM 625 CB ASP A 42 -2.510 -4.545 -5.994 1.00 0.00 C ATOM 626 CG ASP A 42 -1.000 -4.452 -6.083 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.484 -4.201 -7.192 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.332 -4.630 -5.042 1.00 0.00 O ATOM 0 H ASP A 42 -4.922 -4.953 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.654 -6.008 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.955 -3.713 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.817 -4.445 -4.953 1.00 0.00 H new ATOM 633 N LEU A 43 -3.012 -7.016 -4.423 1.00 0.00 N ATOM 634 CA LEU A 43 -2.644 -8.071 -3.486 1.00 0.00 C ATOM 635 C LEU A 43 -3.379 -9.370 -3.805 1.00 0.00 C ATOM 636 O LEU A 43 -2.917 -10.456 -3.456 1.00 0.00 O ATOM 637 CB LEU A 43 -2.952 -7.637 -2.052 1.00 0.00 C ATOM 638 CG LEU A 43 -2.146 -6.438 -1.549 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.803 -5.830 -0.321 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.715 -6.851 -1.243 1.00 0.00 C ATOM 0 H LEU A 43 -3.610 -6.290 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.573 -8.250 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.013 -7.397 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.771 -8.481 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.125 -5.682 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.215 -4.979 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.810 -5.498 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.856 -6.577 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.155 -5.986 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.716 -7.625 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.247 -7.238 -2.148 1.00 0.00 H new ATOM 652 N GLU A 44 -4.525 -9.252 -4.470 1.00 0.00 N ATOM 653 CA GLU A 44 -5.323 -10.419 -4.834 1.00 0.00 C ATOM 654 C GLU A 44 -5.840 -11.131 -3.588 1.00 0.00 C ATOM 655 O GLU A 44 -5.317 -12.173 -3.193 1.00 0.00 O ATOM 656 CB GLU A 44 -4.496 -11.386 -5.684 1.00 0.00 C ATOM 657 CG GLU A 44 -3.872 -10.739 -6.909 1.00 0.00 C ATOM 658 CD GLU A 44 -3.182 -11.743 -7.812 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.860 -12.679 -8.286 1.00 0.00 O ATOM 660 OE2 GLU A 44 -1.964 -11.593 -8.044 1.00 0.00 O ATOM 0 H GLU A 44 -4.922 -8.361 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.178 -10.077 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.706 -11.814 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.133 -12.211 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.645 -10.219 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.150 -9.987 -6.590 1.00 0.00 H new ATOM 667 N ALA A 45 -6.871 -10.561 -2.973 1.00 0.00 N ATOM 668 CA ALA A 45 -7.460 -11.139 -1.772 1.00 0.00 C ATOM 669 C ALA A 45 -8.839 -11.722 -2.061 1.00 0.00 C ATOM 670 O ALA A 45 -9.361 -11.587 -3.168 1.00 0.00 O ATOM 671 CB ALA A 45 -7.548 -10.091 -0.673 1.00 0.00 C ATOM 0 H ALA A 45 -7.316 -9.699 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.816 -11.951 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.990 -10.535 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.549 -9.724 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.169 -9.261 -1.010 1.00 0.00 H new ATOM 677 N GLU A 46 -9.425 -12.369 -1.059 1.00 0.00 N ATOM 678 CA GLU A 46 -10.744 -12.972 -1.206 1.00 0.00 C ATOM 679 C GLU A 46 -11.841 -11.970 -0.859 1.00 0.00 C ATOM 680 O GLU A 46 -12.711 -11.678 -1.680 1.00 0.00 O ATOM 681 CB GLU A 46 -10.865 -14.208 -0.313 1.00 0.00 C ATOM 682 CG GLU A 46 -12.037 -15.106 -0.673 1.00 0.00 C ATOM 683 CD GLU A 46 -11.697 -16.580 -0.561 1.00 0.00 C ATOM 684 OE1 GLU A 46 -10.662 -16.996 -1.124 1.00 0.00 O ATOM 685 OE2 GLU A 46 -12.466 -17.318 0.089 1.00 0.00 O ATOM 0 H GLU A 46 -9.007 -12.489 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.866 -13.271 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.943 -14.785 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.968 -13.888 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.878 -14.880 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.358 -14.887 -1.691 1.00 0.00 H new ATOM 692 N HIS A 47 -11.792 -11.446 0.361 1.00 0.00 N ATOM 693 CA HIS A 47 -12.781 -10.475 0.817 1.00 0.00 C ATOM 694 C HIS A 47 -12.103 -9.266 1.452 1.00 0.00 C ATOM 695 O HIS A 47 -11.226 -9.411 2.304 1.00 0.00 O ATOM 696 CB HIS A 47 -13.738 -11.124 1.818 1.00 0.00 C ATOM 697 CG HIS A 47 -15.152 -10.649 1.687 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.078 -11.258 0.867 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.798 -9.616 2.279 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.232 -10.621 0.959 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.089 -9.621 1.810 1.00 0.00 N ATOM 0 H HIS A 47 -11.078 -11.677 1.052 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.349 -10.136 -0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.713 -12.205 1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.387 -10.920 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.377 -8.918 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.138 -10.875 0.429 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.819 -8.960 2.076 1.00 0.00 H new ATOM 710 N VAL A 48 -12.513 -8.075 1.032 1.00 0.00 N ATOM 711 CA VAL A 48 -11.945 -6.841 1.560 1.00 0.00 C ATOM 712 C VAL A 48 -13.037 -5.839 1.915 1.00 0.00 C ATOM 713 O VAL A 48 -14.176 -5.961 1.465 1.00 0.00 O ATOM 714 CB VAL A 48 -10.978 -6.192 0.553 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.764 -7.080 0.328 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.689 -5.905 -0.761 1.00 0.00 C ATOM 0 H VAL A 48 -13.237 -7.938 0.327 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.394 -7.109 2.462 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.633 -5.245 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.093 -6.604 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.242 -7.229 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.086 -8.045 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.990 -5.446 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.065 -6.837 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.522 -5.225 -0.583 1.00 0.00 H new ATOM 726 N GLU A 49 -12.682 -4.847 2.726 1.00 0.00 N ATOM 727 CA GLU A 49 -13.632 -3.822 3.142 1.00 0.00 C ATOM 728 C GLU A 49 -12.925 -2.491 3.377 1.00 0.00 C ATOM 729 O GLU A 49 -12.033 -2.391 4.219 1.00 0.00 O ATOM 730 CB GLU A 49 -14.360 -4.258 4.414 1.00 0.00 C ATOM 731 CG GLU A 49 -15.736 -3.631 4.574 1.00 0.00 C ATOM 732 CD GLU A 49 -16.813 -4.390 3.825 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.597 -4.713 2.637 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.874 -4.662 4.425 1.00 0.00 O ATOM 0 H GLU A 49 -11.743 -4.732 3.108 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.361 -3.690 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.463 -5.343 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.749 -3.999 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.993 -3.593 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.706 -2.602 4.216 1.00 0.00 H new ATOM 741 N VAL A 50 -13.330 -1.472 2.626 1.00 0.00 N ATOM 742 CA VAL A 50 -12.735 -0.146 2.753 1.00 0.00 C ATOM 743 C VAL A 50 -13.692 0.823 3.439 1.00 0.00 C ATOM 744 O VAL A 50 -14.908 0.630 3.418 1.00 0.00 O ATOM 745 CB VAL A 50 -12.335 0.422 1.377 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.556 0.577 0.483 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.609 1.750 1.536 1.00 0.00 C ATOM 0 H VAL A 50 -14.067 -1.539 1.924 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.839 -0.256 3.365 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.654 -0.283 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.251 0.979 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.027 -0.395 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.266 1.258 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.335 2.135 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.263 2.465 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.708 1.603 2.132 1.00 0.00 H new ATOM 757 N GLU A 51 -13.136 1.866 4.046 1.00 0.00 N ATOM 758 CA GLU A 51 -13.940 2.866 4.739 1.00 0.00 C ATOM 759 C GLU A 51 -13.349 4.259 4.556 1.00 0.00 C ATOM 760 O GLU A 51 -12.172 4.408 4.227 1.00 0.00 O ATOM 761 CB GLU A 51 -14.039 2.531 6.227 1.00 0.00 C ATOM 762 CG GLU A 51 -15.043 3.389 6.979 1.00 0.00 C ATOM 763 CD GLU A 51 -16.456 3.230 6.452 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.827 3.967 5.516 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.191 2.367 6.977 1.00 0.00 O ATOM 0 H GLU A 51 -12.131 2.041 4.072 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.940 2.856 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.316 1.482 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.057 2.651 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.022 3.125 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.748 4.436 6.906 1.00 0.00 H new ATOM 772 N ASP A 52 -14.176 5.276 4.771 1.00 0.00 N ATOM 773 CA ASP A 52 -13.739 6.658 4.627 1.00 0.00 C ATOM 774 C ASP A 52 -14.518 7.573 5.569 1.00 0.00 C ATOM 775 O ASP A 52 -15.729 7.427 5.732 1.00 0.00 O ATOM 776 CB ASP A 52 -13.918 7.116 3.178 1.00 0.00 C ATOM 777 CG ASP A 52 -13.559 8.577 2.977 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.741 9.100 3.763 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.095 9.196 2.035 1.00 0.00 O ATOM 0 H ASP A 52 -15.152 5.169 5.046 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.683 6.715 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.297 6.501 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.953 6.955 2.876 1.00 0.00 H new ATOM 784 N THR A 53 -13.813 8.515 6.187 1.00 0.00 N ATOM 785 CA THR A 53 -14.438 9.453 7.113 1.00 0.00 C ATOM 786 C THR A 53 -14.563 10.836 6.481 1.00 0.00 C ATOM 787 O THR A 53 -13.808 11.752 6.811 1.00 0.00 O ATOM 788 CB THR A 53 -13.628 9.540 8.406 1.00 0.00 C ATOM 789 OG1 THR A 53 -12.406 10.223 8.190 1.00 0.00 O ATOM 790 CG2 THR A 53 -13.299 8.188 8.999 1.00 0.00 C ATOM 0 H THR A 53 -12.809 8.649 6.064 1.00 0.00 H new ATOM 0 HA THR A 53 -15.438 9.087 7.345 1.00 0.00 H new ATOM 0 HB THR A 53 -14.264 10.081 9.107 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.590 11.153 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.723 8.323 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.223 7.656 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.714 7.610 8.284 1.00 0.00 H new ATOM 798 N THR A 54 -15.522 10.982 5.573 1.00 0.00 N ATOM 799 CA THR A 54 -15.747 12.254 4.895 1.00 0.00 C ATOM 800 C THR A 54 -14.507 12.682 4.118 1.00 0.00 C ATOM 801 O THR A 54 -13.397 12.230 4.400 1.00 0.00 O ATOM 802 CB THR A 54 -16.127 13.335 5.908 1.00 0.00 C ATOM 803 OG1 THR A 54 -16.953 12.799 6.926 1.00 0.00 O ATOM 804 CG2 THR A 54 -16.861 14.504 5.288 1.00 0.00 C ATOM 0 H THR A 54 -16.156 10.235 5.289 1.00 0.00 H new ATOM 0 HA THR A 54 -16.568 12.122 4.190 1.00 0.00 H new ATOM 0 HB THR A 54 -15.182 13.695 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.184 13.505 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.101 15.234 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.230 14.970 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.782 14.151 4.824 1.00 0.00 H new ATOM 812 N LEU A 55 -14.703 13.559 3.139 1.00 0.00 N ATOM 813 CA LEU A 55 -13.600 14.051 2.320 1.00 0.00 C ATOM 814 C LEU A 55 -13.554 15.575 2.330 1.00 0.00 C ATOM 815 O LEU A 55 -13.769 16.221 1.303 1.00 0.00 O ATOM 816 CB LEU A 55 -13.736 13.539 0.884 1.00 0.00 C ATOM 817 CG LEU A 55 -13.639 12.021 0.726 1.00 0.00 C ATOM 818 CD1 LEU A 55 -13.778 11.627 -0.736 1.00 0.00 C ATOM 819 CD2 LEU A 55 -12.324 11.509 1.295 1.00 0.00 C ATOM 0 H LEU A 55 -15.615 13.944 2.893 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.668 13.676 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.695 13.870 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.961 14.003 0.274 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.456 11.564 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.706 10.543 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.745 11.961 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.982 12.094 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.272 10.427 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.493 11.974 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.264 11.759 2.354 1.00 0.00 H new ATOM 831 N ASN A 56 -13.272 16.145 3.496 1.00 0.00 N ATOM 832 CA ASN A 56 -13.197 17.595 3.641 1.00 0.00 C ATOM 833 C ASN A 56 -11.755 18.049 3.838 1.00 0.00 C ATOM 834 O ASN A 56 -10.823 17.249 3.739 1.00 0.00 O ATOM 835 CB ASN A 56 -14.055 18.055 4.821 1.00 0.00 C ATOM 836 CG ASN A 56 -14.768 19.364 4.542 1.00 0.00 C ATOM 837 OD1 ASN A 56 -15.646 19.435 3.682 1.00 0.00 O ATOM 838 ND2 ASN A 56 -14.393 20.409 5.271 1.00 0.00 N ATOM 0 H ASN A 56 -13.091 15.626 4.355 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.578 18.047 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.791 17.286 5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.424 18.169 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.837 21.316 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.661 20.305 5.973 1.00 0.00 H new ATOM 845 N ARG A 57 -11.577 19.336 4.116 1.00 0.00 N ATOM 846 CA ARG A 57 -10.248 19.895 4.326 1.00 0.00 C ATOM 847 C ARG A 57 -9.951 20.049 5.814 1.00 0.00 C ATOM 848 O ARG A 57 -9.299 21.006 6.233 1.00 0.00 O ATOM 849 CB ARG A 57 -10.126 21.252 3.629 1.00 0.00 C ATOM 850 CG ARG A 57 -10.017 21.150 2.115 1.00 0.00 C ATOM 851 CD ARG A 57 -8.638 20.676 1.687 1.00 0.00 C ATOM 852 NE ARG A 57 -7.669 21.768 1.652 1.00 0.00 N ATOM 853 CZ ARG A 57 -7.669 22.732 0.734 1.00 0.00 C ATOM 854 NH1 ARG A 57 -8.585 22.741 -0.227 1.00 0.00 N ATOM 855 NH2 ARG A 57 -6.753 23.688 0.776 1.00 0.00 N ATOM 0 H ARG A 57 -12.337 20.011 4.201 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.521 19.206 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.994 21.861 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.249 21.772 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.773 20.460 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.224 22.122 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.290 19.905 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.703 20.217 0.700 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.949 21.794 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.293 22.007 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.581 23.482 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.047 23.686 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.754 24.426 0.072 1.00 0.00 H new ATOM 869 N CYS A 58 -10.433 19.098 6.609 1.00 0.00 N ATOM 870 CA CYS A 58 -10.218 19.127 8.052 1.00 0.00 C ATOM 871 C CYS A 58 -9.616 17.813 8.537 1.00 0.00 C ATOM 872 O CYS A 58 -8.627 17.806 9.272 1.00 0.00 O ATOM 873 CB CYS A 58 -11.537 19.396 8.778 1.00 0.00 C ATOM 874 SG CYS A 58 -12.353 20.931 8.283 1.00 0.00 S ATOM 0 H CYS A 58 -10.974 18.299 6.279 1.00 0.00 H new ATOM 0 HA CYS A 58 -9.517 19.931 8.275 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.215 18.562 8.597 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -11.349 19.427 9.851 1.00 0.00 H new ATOM 0 HG CYS A 58 -13.460 21.069 8.950 1.00 0.00 H new ATOM 880 N ALA A 59 -10.218 16.702 8.124 1.00 0.00 N ATOM 881 CA ALA A 59 -9.740 15.382 8.516 1.00 0.00 C ATOM 882 C ALA A 59 -9.947 14.369 7.396 1.00 0.00 C ATOM 883 O ALA A 59 -10.931 14.434 6.661 1.00 0.00 O ATOM 884 CB ALA A 59 -10.446 14.922 9.784 1.00 0.00 C ATOM 0 H ALA A 59 -11.038 16.690 7.518 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.670 15.452 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.080 13.935 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.244 15.628 10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.520 14.873 9.605 1.00 0.00 H new ATOM 890 N THR A 60 -9.011 13.433 7.271 1.00 0.00 N ATOM 891 CA THR A 60 -9.090 12.406 6.240 1.00 0.00 C ATOM 892 C THR A 60 -8.452 11.105 6.716 1.00 0.00 C ATOM 893 O THR A 60 -7.227 10.988 6.774 1.00 0.00 O ATOM 894 CB THR A 60 -8.404 12.885 4.960 1.00 0.00 C ATOM 895 OG1 THR A 60 -8.278 11.822 4.031 1.00 0.00 O ATOM 896 CG2 THR A 60 -7.021 13.452 5.198 1.00 0.00 C ATOM 0 H THR A 60 -8.189 13.365 7.871 1.00 0.00 H new ATOM 0 HA THR A 60 -10.143 12.217 6.031 1.00 0.00 H new ATOM 0 HB THR A 60 -9.042 13.678 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.838 12.148 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.591 13.773 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.089 14.305 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.386 12.687 5.644 1.00 0.00 H new ATOM 904 N SER A 61 -9.290 10.131 7.056 1.00 0.00 N ATOM 905 CA SER A 61 -8.807 8.838 7.528 1.00 0.00 C ATOM 906 C SER A 61 -9.423 7.701 6.719 1.00 0.00 C ATOM 907 O SER A 61 -10.644 7.610 6.588 1.00 0.00 O ATOM 908 CB SER A 61 -9.131 8.658 9.012 1.00 0.00 C ATOM 909 OG SER A 61 -10.283 9.399 9.375 1.00 0.00 O ATOM 0 H SER A 61 -10.306 10.212 7.014 1.00 0.00 H new ATOM 0 HA SER A 61 -7.725 8.811 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.291 7.602 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.282 8.981 9.615 1.00 0.00 H new ATOM 0 HG SER A 61 -10.940 9.360 8.649 1.00 0.00 H new ATOM 915 N PHE A 62 -8.571 6.836 6.178 1.00 0.00 N ATOM 916 CA PHE A 62 -9.033 5.705 5.381 1.00 0.00 C ATOM 917 C PHE A 62 -8.707 4.383 6.070 1.00 0.00 C ATOM 918 O PHE A 62 -7.668 4.248 6.716 1.00 0.00 O ATOM 919 CB PHE A 62 -8.395 5.740 3.992 1.00 0.00 C ATOM 920 CG PHE A 62 -9.035 6.732 3.061 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.302 6.503 2.549 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.368 7.891 2.700 1.00 0.00 C ATOM 923 CE1 PHE A 62 -10.892 7.413 1.694 1.00 0.00 C ATOM 924 CE2 PHE A 62 -8.954 8.805 1.845 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.218 8.566 1.341 1.00 0.00 C ATOM 0 H PHE A 62 -7.558 6.896 6.277 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.115 5.783 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.337 5.980 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.456 4.746 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.834 5.603 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.380 8.082 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.880 7.223 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.424 9.705 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.678 9.279 0.673 1.00 0.00 H new ATOM 935 N ARG A 63 -9.602 3.411 5.925 1.00 0.00 N ATOM 936 CA ARG A 63 -9.410 2.100 6.532 1.00 0.00 C ATOM 937 C ARG A 63 -9.700 0.990 5.526 1.00 0.00 C ATOM 938 O ARG A 63 -10.801 0.905 4.980 1.00 0.00 O ATOM 939 CB ARG A 63 -10.313 1.946 7.760 1.00 0.00 C ATOM 940 CG ARG A 63 -9.558 1.580 9.027 1.00 0.00 C ATOM 941 CD ARG A 63 -10.502 1.401 10.206 1.00 0.00 C ATOM 942 NE ARG A 63 -9.944 1.945 11.441 1.00 0.00 N ATOM 943 CZ ARG A 63 -10.671 2.240 12.517 1.00 0.00 C ATOM 944 NH1 ARG A 63 -11.983 2.043 12.513 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.083 2.731 13.600 1.00 0.00 N ATOM 0 H ARG A 63 -10.467 3.507 5.393 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.369 2.018 6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.851 2.879 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.060 1.179 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.998 0.659 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.831 2.359 9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.450 1.893 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.716 0.341 10.341 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.938 2.109 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.439 1.664 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.535 2.271 13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.074 2.882 13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.640 2.957 14.424 1.00 0.00 H new ATOM 959 N VAL A 64 -8.705 0.142 5.283 1.00 0.00 N ATOM 960 CA VAL A 64 -8.854 -0.960 4.340 1.00 0.00 C ATOM 961 C VAL A 64 -8.654 -2.306 5.029 1.00 0.00 C ATOM 962 O VAL A 64 -7.772 -2.458 5.874 1.00 0.00 O ATOM 963 CB VAL A 64 -7.855 -0.841 3.174 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.152 0.395 2.340 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.426 -0.809 3.697 1.00 0.00 C ATOM 0 H VAL A 64 -7.788 0.197 5.726 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.869 -0.903 3.947 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.965 -1.717 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.436 0.462 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.161 0.326 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.072 1.284 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.734 -0.725 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.300 0.047 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.219 -1.727 4.247 1.00 0.00 H new ATOM 975 N LEU A 65 -9.479 -3.281 4.659 1.00 0.00 N ATOM 976 CA LEU A 65 -9.395 -4.616 5.238 1.00 0.00 C ATOM 977 C LEU A 65 -9.131 -5.660 4.158 1.00 0.00 C ATOM 978 O LEU A 65 -9.740 -5.628 3.089 1.00 0.00 O ATOM 979 CB LEU A 65 -10.686 -4.954 5.985 1.00 0.00 C ATOM 980 CG LEU A 65 -10.526 -5.938 7.145 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.019 -7.280 6.640 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.583 -5.371 8.197 1.00 0.00 C ATOM 0 H LEU A 65 -10.214 -3.170 3.960 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.563 -4.628 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.117 -4.030 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.401 -5.368 5.274 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.502 -6.092 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.911 -7.967 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.730 -7.691 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.052 -7.145 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.480 -6.084 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.606 -5.189 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.987 -4.434 8.580 1.00 0.00 H new ATOM 994 N VAL A 66 -8.218 -6.583 4.442 1.00 0.00 N ATOM 995 CA VAL A 66 -7.875 -7.634 3.492 1.00 0.00 C ATOM 996 C VAL A 66 -7.821 -8.997 4.173 1.00 0.00 C ATOM 997 O VAL A 66 -7.287 -9.133 5.274 1.00 0.00 O ATOM 998 CB VAL A 66 -6.520 -7.359 2.814 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.288 -8.333 1.669 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.450 -5.921 2.321 1.00 0.00 C ATOM 0 H VAL A 66 -7.703 -6.624 5.321 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.658 -7.640 2.734 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.731 -7.505 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.326 -8.123 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.290 -9.353 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.082 -8.222 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.485 -5.746 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.248 -5.744 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.567 -5.241 3.165 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.376 -10.005 3.509 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.391 -11.360 4.046 1.00 0.00 C ATOM 1012 C VAL A 67 -8.172 -12.390 2.943 1.00 0.00 C ATOM 1013 O VAL A 67 -8.951 -12.470 1.993 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.722 -11.666 4.761 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.656 -13.014 5.462 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.064 -10.561 5.748 1.00 0.00 C ATOM 0 H VAL A 67 -8.822 -9.909 2.597 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.576 -11.424 4.767 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.512 -11.711 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.605 -13.212 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.462 -13.796 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.854 -13.001 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.007 -10.794 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.273 -10.481 6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.158 -9.614 5.216 1.00 0.00 H new ATOM 1026 N SER A 68 -7.107 -13.174 3.074 1.00 0.00 N ATOM 1027 CA SER A 68 -6.788 -14.198 2.086 1.00 0.00 C ATOM 1028 C SER A 68 -5.560 -14.999 2.507 1.00 0.00 C ATOM 1029 O SER A 68 -4.947 -14.721 3.537 1.00 0.00 O ATOM 1030 CB SER A 68 -6.548 -13.558 0.717 1.00 0.00 C ATOM 1031 OG SER A 68 -7.053 -14.376 -0.325 1.00 0.00 O ATOM 0 H SER A 68 -6.451 -13.120 3.853 1.00 0.00 H new ATOM 0 HA SER A 68 -7.637 -14.878 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.028 -12.580 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.480 -13.395 0.571 1.00 0.00 H new ATOM 0 HG SER A 68 -6.626 -14.128 -1.172 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.206 -15.995 1.700 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.051 -16.838 1.987 1.00 0.00 C ATOM 1039 C ALA A 69 -2.786 -16.294 1.326 1.00 0.00 C ATOM 1040 O ALA A 69 -1.673 -16.657 1.707 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.316 -18.264 1.527 1.00 0.00 C ATOM 0 H ALA A 69 -5.702 -16.238 0.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.891 -16.835 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.447 -18.884 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.186 -18.660 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.505 -18.271 0.454 1.00 0.00 H new ATOM 1047 N LYS A 70 -2.962 -15.423 0.335 1.00 0.00 N ATOM 1048 CA LYS A 70 -1.830 -14.833 -0.373 1.00 0.00 C ATOM 1049 C LYS A 70 -0.861 -14.169 0.599 1.00 0.00 C ATOM 1050 O LYS A 70 0.348 -14.146 0.368 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.322 -13.810 -1.399 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.418 -13.684 -2.615 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.584 -12.415 -2.562 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.463 -11.769 -3.933 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.645 -12.365 -4.730 1.00 0.00 N ATOM 0 H LYS A 70 -3.875 -15.111 0.005 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.302 -15.634 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.323 -14.090 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.406 -12.836 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.760 -14.551 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.024 -13.685 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.037 -11.710 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.410 -12.647 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.402 -11.885 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.292 -10.699 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.695 -11.898 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.545 -12.232 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.469 -13.381 -4.863 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.400 -13.631 1.689 1.00 0.00 N ATOM 1070 CA PHE A 71 -0.583 -12.968 2.698 1.00 0.00 C ATOM 1071 C PHE A 71 0.174 -13.987 3.543 1.00 0.00 C ATOM 1072 O PHE A 71 1.274 -13.715 4.023 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.457 -12.091 3.597 1.00 0.00 C ATOM 1074 CG PHE A 71 -1.609 -10.682 3.098 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.508 -9.968 2.654 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -2.853 -10.073 3.073 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -0.644 -8.671 2.195 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -2.996 -8.777 2.614 1.00 0.00 C ATOM 1079 CZ PHE A 71 -1.890 -8.076 2.174 1.00 0.00 C ATOM 0 H PHE A 71 -2.399 -13.642 1.895 1.00 0.00 H new ATOM 0 HA PHE A 71 0.144 -12.339 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.444 -12.545 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.026 -12.069 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.468 -10.430 2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.721 -10.617 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.223 -8.124 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.971 -8.313 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.000 -7.064 1.814 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.423 -15.162 3.720 1.00 0.00 N ATOM 1090 CA GLU A 72 0.195 -16.222 4.507 1.00 0.00 C ATOM 1091 C GLU A 72 1.538 -16.631 3.911 1.00 0.00 C ATOM 1092 O GLU A 72 2.457 -17.019 4.632 1.00 0.00 O ATOM 1093 CB GLU A 72 -0.737 -17.434 4.583 1.00 0.00 C ATOM 1094 CG GLU A 72 -1.427 -17.585 5.929 1.00 0.00 C ATOM 1095 CD GLU A 72 -0.544 -18.255 6.965 1.00 0.00 C ATOM 1096 OE1 GLU A 72 0.163 -19.221 6.607 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -0.561 -17.814 8.132 1.00 0.00 O ATOM 0 H GLU A 72 -1.334 -15.403 3.329 1.00 0.00 H new ATOM 0 HA GLU A 72 0.369 -15.842 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.494 -17.350 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.163 -18.337 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.725 -16.602 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.339 -18.168 5.802 1.00 0.00 H new ATOM 1104 N GLY A 73 1.646 -16.539 2.590 1.00 0.00 N ATOM 1105 CA GLY A 73 2.881 -16.902 1.919 1.00 0.00 C ATOM 1106 C GLY A 73 4.059 -16.070 2.386 1.00 0.00 C ATOM 1107 O GLY A 73 5.140 -16.601 2.640 1.00 0.00 O ATOM 0 H GLY A 73 0.900 -16.220 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.091 -17.957 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.756 -16.779 0.843 1.00 0.00 H new ATOM 1111 N LYS A 74 3.849 -14.762 2.499 1.00 0.00 N ATOM 1112 CA LYS A 74 4.902 -13.855 2.939 1.00 0.00 C ATOM 1113 C LYS A 74 4.864 -13.671 4.455 1.00 0.00 C ATOM 1114 O LYS A 74 3.845 -13.934 5.094 1.00 0.00 O ATOM 1115 CB LYS A 74 4.756 -12.498 2.246 1.00 0.00 C ATOM 1116 CG LYS A 74 5.377 -12.454 0.859 1.00 0.00 C ATOM 1117 CD LYS A 74 5.200 -11.090 0.214 1.00 0.00 C ATOM 1118 CE LYS A 74 5.924 -11.007 -1.120 1.00 0.00 C ATOM 1119 NZ LYS A 74 5.745 -9.678 -1.769 1.00 0.00 N ATOM 0 H LYS A 74 2.960 -14.307 2.292 1.00 0.00 H new ATOM 0 HA LYS A 74 5.862 -14.294 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.697 -12.251 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.218 -11.731 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.439 -12.691 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.920 -13.218 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.139 -10.891 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.579 -10.318 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.987 -11.197 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.552 -11.788 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.596 -9.443 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.921 -9.709 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.594 -8.953 -1.039 1.00 0.00 H new ATOM 1133 N PRO A 75 5.979 -13.215 5.051 1.00 0.00 N ATOM 1134 CA PRO A 75 6.067 -12.997 6.499 1.00 0.00 C ATOM 1135 C PRO A 75 5.157 -11.867 6.969 1.00 0.00 C ATOM 1136 O PRO A 75 4.627 -11.106 6.159 1.00 0.00 O ATOM 1137 CB PRO A 75 7.537 -12.628 6.719 1.00 0.00 C ATOM 1138 CG PRO A 75 8.002 -12.108 5.403 1.00 0.00 C ATOM 1139 CD PRO A 75 7.238 -12.876 4.363 1.00 0.00 C ATOM 0 HA PRO A 75 5.748 -13.874 7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.643 -11.876 7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.120 -13.495 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.812 -11.038 5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.076 -12.251 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.060 -12.277 3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.776 -13.769 4.046 1.00 0.00 H new ATOM 1147 N LEU A 76 4.981 -11.763 8.282 1.00 0.00 N ATOM 1148 CA LEU A 76 4.135 -10.726 8.862 1.00 0.00 C ATOM 1149 C LEU A 76 4.637 -9.336 8.480 1.00 0.00 C ATOM 1150 O LEU A 76 3.856 -8.470 8.087 1.00 0.00 O ATOM 1151 CB LEU A 76 4.092 -10.865 10.384 1.00 0.00 C ATOM 1152 CG LEU A 76 3.064 -9.976 11.086 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.719 -10.680 11.172 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.556 -9.589 12.474 1.00 0.00 C ATOM 0 H LEU A 76 5.413 -12.385 8.965 1.00 0.00 H new ATOM 0 HA LEU A 76 3.128 -10.850 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.881 -11.905 10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.080 -10.636 10.783 1.00 0.00 H new ATOM 0 HG LEU A 76 2.937 -9.066 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.001 -10.032 11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.362 -10.907 10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.829 -11.606 11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.813 -8.957 12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.712 -10.489 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.496 -9.044 12.388 1.00 0.00 H new ATOM 1166 N LEU A 77 5.945 -9.133 8.600 1.00 0.00 N ATOM 1167 CA LEU A 77 6.551 -7.848 8.268 1.00 0.00 C ATOM 1168 C LEU A 77 6.303 -7.489 6.807 1.00 0.00 C ATOM 1169 O LEU A 77 6.199 -6.314 6.454 1.00 0.00 O ATOM 1170 CB LEU A 77 8.055 -7.883 8.548 1.00 0.00 C ATOM 1171 CG LEU A 77 8.814 -9.023 7.868 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.367 -8.569 6.526 1.00 0.00 C ATOM 1173 CD2 LEU A 77 9.935 -9.526 8.765 1.00 0.00 C ATOM 0 H LEU A 77 6.605 -9.840 8.924 1.00 0.00 H new ATOM 0 HA LEU A 77 6.088 -7.085 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.491 -6.936 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.207 -7.957 9.625 1.00 0.00 H new ATOM 0 HG LEU A 77 8.119 -9.844 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.904 -9.393 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.546 -8.257 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.048 -7.732 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.465 -10.337 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.630 -8.712 8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.515 -9.890 9.703 1.00 0.00 H new ATOM 1185 N GLN A 78 6.208 -8.509 5.959 1.00 0.00 N ATOM 1186 CA GLN A 78 5.972 -8.300 4.534 1.00 0.00 C ATOM 1187 C GLN A 78 4.520 -7.913 4.274 1.00 0.00 C ATOM 1188 O GLN A 78 4.223 -7.186 3.325 1.00 0.00 O ATOM 1189 CB GLN A 78 6.324 -9.564 3.748 1.00 0.00 C ATOM 1190 CG GLN A 78 7.772 -9.608 3.286 1.00 0.00 C ATOM 1191 CD GLN A 78 8.068 -8.592 2.201 1.00 0.00 C ATOM 1192 OE1 GLN A 78 7.417 -7.551 2.114 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.057 -8.891 1.365 1.00 0.00 N ATOM 0 H GLN A 78 6.291 -9.488 6.234 1.00 0.00 H new ATOM 0 HA GLN A 78 6.612 -7.483 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.123 -10.437 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.671 -9.635 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.427 -9.426 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.001 -10.607 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.570 -9.766 1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.303 -8.246 0.614 1.00 0.00 H new ATOM 1202 N ARG A 79 3.619 -8.403 5.119 1.00 0.00 N ATOM 1203 CA ARG A 79 2.198 -8.107 4.978 1.00 0.00 C ATOM 1204 C ARG A 79 1.944 -6.604 5.048 1.00 0.00 C ATOM 1205 O ARG A 79 1.389 -6.014 4.121 1.00 0.00 O ATOM 1206 CB ARG A 79 1.396 -8.822 6.067 1.00 0.00 C ATOM 1207 CG ARG A 79 1.582 -10.329 6.069 1.00 0.00 C ATOM 1208 CD ARG A 79 0.416 -11.033 6.747 1.00 0.00 C ATOM 1209 NE ARG A 79 0.672 -12.459 6.935 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.249 -13.331 7.339 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -1.487 -12.927 7.597 1.00 0.00 N ATOM 1212 NH2 ARG A 79 0.069 -14.610 7.486 1.00 0.00 N ATOM 0 H ARG A 79 3.848 -9.007 5.909 1.00 0.00 H new ATOM 0 HA ARG A 79 1.874 -8.467 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.688 -8.427 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.338 -8.595 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.678 -10.686 5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.510 -10.582 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.225 -10.568 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.485 -10.902 6.147 1.00 0.00 H new ATOM 0 HE ARG A 79 1.612 -12.807 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.736 -11.944 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.189 -13.599 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.019 -14.925 7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.636 -15.279 7.796 1.00 0.00 H new ATOM 1226 N HIS A 80 2.356 -5.990 6.152 1.00 0.00 N ATOM 1227 CA HIS A 80 2.173 -4.556 6.343 1.00 0.00 C ATOM 1228 C HIS A 80 2.941 -3.765 5.289 1.00 0.00 C ATOM 1229 O HIS A 80 2.473 -2.732 4.809 1.00 0.00 O ATOM 1230 CB HIS A 80 2.634 -4.143 7.742 1.00 0.00 C ATOM 1231 CG HIS A 80 1.985 -4.927 8.841 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.557 -5.096 10.084 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.804 -5.589 8.879 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.758 -5.830 10.839 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.688 -6.141 10.131 1.00 0.00 N ATOM 0 H HIS A 80 2.819 -6.463 6.928 1.00 0.00 H new ATOM 0 HA HIS A 80 1.111 -4.334 6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.715 -4.264 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.422 -3.084 7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.087 -5.668 8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.948 -6.125 11.860 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.098 -6.701 10.461 1.00 0.00 H new ATOM 1244 N ARG A 81 4.123 -4.256 4.932 1.00 0.00 N ATOM 1245 CA ARG A 81 4.956 -3.596 3.934 1.00 0.00 C ATOM 1246 C ARG A 81 4.325 -3.693 2.548 1.00 0.00 C ATOM 1247 O ARG A 81 4.492 -2.801 1.715 1.00 0.00 O ATOM 1248 CB ARG A 81 6.356 -4.214 3.918 1.00 0.00 C ATOM 1249 CG ARG A 81 7.475 -3.186 3.889 1.00 0.00 C ATOM 1250 CD ARG A 81 8.786 -3.799 3.425 1.00 0.00 C ATOM 1251 NE ARG A 81 9.909 -3.395 4.269 1.00 0.00 N ATOM 1252 CZ ARG A 81 11.172 -3.752 4.044 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.477 -4.519 3.004 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.132 -3.340 4.860 1.00 0.00 N ATOM 0 H ARG A 81 4.526 -5.109 5.319 1.00 0.00 H new ATOM 0 HA ARG A 81 5.036 -2.543 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.476 -4.844 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.448 -4.863 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.200 -2.367 3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.604 -2.760 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.700 -4.886 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.981 -3.501 2.395 1.00 0.00 H new ATOM 0 HE ARG A 81 9.714 -2.805 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.742 -4.838 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.446 -4.789 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.903 -2.750 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.100 -3.613 4.688 1.00 0.00 H new ATOM 1268 N LEU A 82 3.600 -4.780 2.309 1.00 0.00 N ATOM 1269 CA LEU A 82 2.944 -4.994 1.024 1.00 0.00 C ATOM 1270 C LEU A 82 1.914 -3.902 0.751 1.00 0.00 C ATOM 1271 O LEU A 82 1.894 -3.308 -0.326 1.00 0.00 O ATOM 1272 CB LEU A 82 2.272 -6.368 0.993 1.00 0.00 C ATOM 1273 CG LEU A 82 3.146 -7.504 0.462 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.742 -8.828 1.092 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.050 -7.583 -1.054 1.00 0.00 C ATOM 0 H LEU A 82 3.452 -5.527 2.988 1.00 0.00 H new ATOM 0 HA LEU A 82 3.704 -4.953 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.949 -6.620 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.374 -6.303 0.378 1.00 0.00 H new ATOM 0 HG LEU A 82 4.182 -7.298 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.375 -9.625 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.860 -8.767 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.700 -9.042 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.678 -8.397 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.015 -7.766 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.388 -6.643 -1.489 1.00 0.00 H new ATOM 1287 N VAL A 83 1.059 -3.644 1.736 1.00 0.00 N ATOM 1288 CA VAL A 83 0.025 -2.624 1.603 1.00 0.00 C ATOM 1289 C VAL A 83 0.641 -1.245 1.395 1.00 0.00 C ATOM 1290 O VAL A 83 0.072 -0.398 0.708 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.891 -2.586 2.841 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -2.051 -1.628 2.620 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.398 -3.981 3.177 1.00 0.00 C ATOM 0 H VAL A 83 1.062 -4.127 2.634 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.572 -2.889 0.730 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.308 -2.224 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.686 -1.615 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.665 -0.625 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.635 -1.956 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.043 -3.932 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.963 -4.376 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.552 -4.635 3.385 1.00 0.00 H new ATOM 1303 N ASN A 84 1.807 -1.027 1.993 1.00 0.00 N ATOM 1304 CA ASN A 84 2.501 0.250 1.874 1.00 0.00 C ATOM 1305 C ASN A 84 3.080 0.426 0.474 1.00 0.00 C ATOM 1306 O ASN A 84 3.025 1.513 -0.100 1.00 0.00 O ATOM 1307 CB ASN A 84 3.616 0.348 2.916 1.00 0.00 C ATOM 1308 CG ASN A 84 3.085 0.651 4.305 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.875 0.669 4.529 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.991 0.891 5.245 1.00 0.00 N ATOM 0 H ASN A 84 2.292 -1.718 2.565 1.00 0.00 H new ATOM 0 HA ASN A 84 1.778 1.046 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.172 -0.590 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.318 1.127 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.694 1.101 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.984 0.866 5.014 1.00 0.00 H new ATOM 1317 N GLU A 85 3.638 -0.652 -0.069 1.00 0.00 N ATOM 1318 CA GLU A 85 4.228 -0.617 -1.402 1.00 0.00 C ATOM 1319 C GLU A 85 3.158 -0.396 -2.466 1.00 0.00 C ATOM 1320 O GLU A 85 3.407 0.242 -3.489 1.00 0.00 O ATOM 1321 CB GLU A 85 4.982 -1.918 -1.683 1.00 0.00 C ATOM 1322 CG GLU A 85 6.238 -2.086 -0.843 1.00 0.00 C ATOM 1323 CD GLU A 85 7.341 -2.819 -1.582 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.788 -2.313 -2.633 1.00 0.00 O ATOM 1325 OE2 GLU A 85 7.755 -3.898 -1.112 1.00 0.00 O ATOM 0 H GLU A 85 3.694 -1.559 0.393 1.00 0.00 H new ATOM 0 HA GLU A 85 4.929 0.217 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.316 -2.761 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.253 -1.950 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.600 -1.104 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.991 -2.632 0.068 1.00 0.00 H new ATOM 1332 N CYS A 86 1.965 -0.930 -2.219 1.00 0.00 N ATOM 1333 CA CYS A 86 0.857 -0.792 -3.156 1.00 0.00 C ATOM 1334 C CYS A 86 0.509 0.677 -3.374 1.00 0.00 C ATOM 1335 O CYS A 86 0.573 1.181 -4.495 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.370 -1.548 -2.642 1.00 0.00 C ATOM 1337 SG CYS A 86 -1.477 -2.131 -3.947 1.00 0.00 S ATOM 0 H CYS A 86 1.742 -1.462 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 86 1.165 -1.219 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.037 -2.403 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.929 -0.897 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.236 -3.385 -4.192 1.00 0.00 H new ATOM 1343 N LEU A 87 0.139 1.359 -2.294 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.219 2.771 -2.368 1.00 0.00 C ATOM 1345 C LEU A 87 0.860 3.640 -1.731 1.00 0.00 C ATOM 1346 O LEU A 87 0.565 4.551 -0.957 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.563 3.013 -1.676 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.755 2.294 -2.308 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.783 1.933 -1.247 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.385 3.157 -3.390 1.00 0.00 C ATOM 0 H LEU A 87 0.079 0.957 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.305 3.045 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.480 2.700 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.765 4.084 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.398 1.373 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.625 1.422 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.326 1.277 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.136 2.841 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.232 2.630 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.728 4.095 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.647 3.366 -4.164 1.00 0.00 H new ATOM 1362 N ALA A 88 2.115 3.352 -2.062 1.00 0.00 N ATOM 1363 CA ALA A 88 3.240 4.106 -1.522 1.00 0.00 C ATOM 1364 C ALA A 88 3.193 5.563 -1.971 1.00 0.00 C ATOM 1365 O ALA A 88 3.634 6.458 -1.250 1.00 0.00 O ATOM 1366 CB ALA A 88 4.554 3.466 -1.943 1.00 0.00 C ATOM 0 H ALA A 88 2.378 2.602 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 88 3.169 4.086 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.386 4.039 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.598 2.444 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.622 3.456 -3.031 1.00 0.00 H new ATOM 1372 N GLU A 89 2.658 5.794 -3.166 1.00 0.00 N ATOM 1373 CA GLU A 89 2.555 7.142 -3.710 1.00 0.00 C ATOM 1374 C GLU A 89 1.432 7.924 -3.034 1.00 0.00 C ATOM 1375 O GLU A 89 1.625 9.060 -2.602 1.00 0.00 O ATOM 1376 CB GLU A 89 2.314 7.086 -5.220 1.00 0.00 C ATOM 1377 CG GLU A 89 3.220 6.104 -5.944 1.00 0.00 C ATOM 1378 CD GLU A 89 3.074 6.179 -7.451 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.730 7.266 -7.960 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.306 5.151 -8.122 1.00 0.00 O ATOM 0 H GLU A 89 2.289 5.064 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 89 3.496 7.656 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.275 6.813 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.461 8.081 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.257 6.304 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.993 5.092 -5.610 1.00 0.00 H new ATOM 1387 N GLU A 90 0.258 7.309 -2.950 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.903 7.945 -2.333 1.00 0.00 C ATOM 1389 C GLU A 90 -0.786 7.958 -0.811 1.00 0.00 C ATOM 1390 O GLU A 90 -1.318 8.846 -0.147 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.185 7.224 -2.749 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.487 7.327 -4.236 1.00 0.00 C ATOM 1393 CD GLU A 90 -3.132 6.071 -4.788 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -4.276 5.766 -4.390 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -2.493 5.392 -5.620 1.00 0.00 O ATOM 0 H GLU A 90 0.083 6.368 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.941 8.977 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.105 6.172 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.023 7.637 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.147 8.177 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.562 7.524 -4.778 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.099 6.958 -0.263 1.00 0.00 N ATOM 1403 CA LEU A 91 0.076 6.839 1.184 1.00 0.00 C ATOM 1404 C LEU A 91 0.444 8.177 1.833 1.00 0.00 C ATOM 1405 O LEU A 91 -0.283 8.670 2.696 1.00 0.00 O ATOM 1406 CB LEU A 91 1.147 5.793 1.502 1.00 0.00 C ATOM 1407 CG LEU A 91 0.611 4.438 1.967 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.755 3.514 2.352 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.350 4.616 3.133 1.00 0.00 C ATOM 0 H LEU A 91 0.347 6.215 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.880 6.523 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.758 5.639 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.804 6.191 2.275 1.00 0.00 H new ATOM 0 HG LEU A 91 0.067 3.982 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.354 2.555 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.404 3.360 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.329 3.964 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.721 3.642 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.170 5.094 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.188 5.240 2.822 1.00 0.00 H new ATOM 1421 N PRO A 92 1.577 8.784 1.435 1.00 0.00 N ATOM 1422 CA PRO A 92 2.023 10.062 1.997 1.00 0.00 C ATOM 1423 C PRO A 92 0.922 11.118 1.978 1.00 0.00 C ATOM 1424 O PRO A 92 0.882 12.000 2.836 1.00 0.00 O ATOM 1425 CB PRO A 92 3.193 10.482 1.093 1.00 0.00 C ATOM 1426 CG PRO A 92 3.170 9.540 -0.067 1.00 0.00 C ATOM 1427 CD PRO A 92 2.513 8.283 0.423 1.00 0.00 C ATOM 0 HA PRO A 92 2.305 9.962 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.080 11.514 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.141 10.421 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.617 9.967 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.180 9.337 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.998 7.756 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.236 7.587 0.849 1.00 0.00 H new ATOM 1435 N HIS A 93 0.029 11.021 1.000 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.074 11.968 0.879 1.00 0.00 C ATOM 1437 C HIS A 93 -2.135 11.702 1.942 1.00 0.00 C ATOM 1438 O HIS A 93 -2.825 12.619 2.387 1.00 0.00 O ATOM 1439 CB HIS A 93 -1.699 11.884 -0.515 1.00 0.00 C ATOM 1440 CG HIS A 93 -0.753 12.246 -1.618 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -0.989 13.273 -2.507 1.00 0.00 N ATOM 1442 CD2 HIS A 93 0.439 11.710 -1.974 1.00 0.00 C ATOM 1443 CE1 HIS A 93 0.016 13.354 -3.361 1.00 0.00 C ATOM 1444 NE2 HIS A 93 0.895 12.416 -3.060 1.00 0.00 N ATOM 0 H HIS A 93 0.046 10.298 0.281 1.00 0.00 H new ATOM 0 HA HIS A 93 -0.676 12.972 1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.065 10.871 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.564 12.546 -0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.938 10.882 -1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.104 14.066 -4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.771 12.244 -3.554 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.260 10.441 2.345 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.237 10.054 3.357 1.00 0.00 C ATOM 1455 C ILE A 94 -2.829 10.561 4.736 1.00 0.00 C ATOM 1456 O ILE A 94 -1.783 10.181 5.263 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.409 8.523 3.421 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.583 7.944 2.016 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.596 8.161 4.300 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -4.737 8.550 1.249 1.00 0.00 C ATOM 0 H ILE A 94 -1.697 9.670 1.986 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.185 10.508 3.067 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.510 8.091 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.663 8.098 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.734 6.867 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.705 7.077 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.432 8.543 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.503 8.603 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.799 8.091 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.666 8.373 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.578 9.623 1.141 1.00 0.00 H new ATOM 1472 N HIS A 95 -3.662 11.417 5.317 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.387 11.971 6.639 1.00 0.00 C ATOM 1474 C HIS A 95 -3.407 10.873 7.698 1.00 0.00 C ATOM 1475 O HIS A 95 -2.689 10.945 8.696 1.00 0.00 O ATOM 1476 CB HIS A 95 -4.412 13.052 6.987 1.00 0.00 C ATOM 1477 CG HIS A 95 -3.906 14.061 7.970 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -2.598 14.495 7.998 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.542 14.724 8.965 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -2.450 15.380 8.969 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.615 15.536 9.570 1.00 0.00 N ATOM 0 H HIS A 95 -4.532 11.742 4.895 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.393 12.419 6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.711 13.565 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.305 12.577 7.393 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.584 14.631 9.233 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.533 15.888 9.227 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.797 16.159 10.357 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.232 9.857 7.470 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.348 8.739 8.399 1.00 0.00 C ATOM 1492 C ALA A 96 -4.834 7.484 7.685 1.00 0.00 C ATOM 1493 O ALA A 96 -5.945 7.449 7.157 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.288 9.097 9.541 1.00 0.00 C ATOM 0 H ALA A 96 -4.832 9.785 6.648 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.359 8.533 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.365 8.253 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.899 9.964 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.275 9.331 9.141 1.00 0.00 H new ATOM 1500 N PHE A 97 -3.993 6.455 7.668 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.336 5.198 7.013 1.00 0.00 C ATOM 1502 C PHE A 97 -4.174 4.021 7.970 1.00 0.00 C ATOM 1503 O PHE A 97 -3.292 4.022 8.828 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.460 4.988 5.777 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.984 3.939 4.839 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.948 2.599 5.188 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.514 4.294 3.608 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -4.429 1.631 4.327 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.997 3.330 2.743 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.955 1.997 3.103 1.00 0.00 C ATOM 0 H PHE A 97 -3.069 6.467 8.100 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.381 5.252 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.372 5.932 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.456 4.709 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.539 2.307 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.550 5.335 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.394 0.589 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.407 3.619 1.786 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.333 1.242 2.429 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.032 3.018 7.813 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.985 1.832 8.660 1.00 0.00 C ATOM 1522 C GLU A 98 -5.239 0.571 7.840 1.00 0.00 C ATOM 1523 O GLU A 98 -6.293 0.422 7.222 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.018 1.941 9.783 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.719 1.046 10.974 1.00 0.00 C ATOM 1526 CD GLU A 98 -5.270 1.827 12.194 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -4.101 2.262 12.223 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.089 2.003 13.120 1.00 0.00 O ATOM 0 H GLU A 98 -5.768 3.003 7.107 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.989 1.766 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.067 2.976 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.001 1.688 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.610 0.470 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.944 0.330 10.700 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.265 -0.334 7.838 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.384 -1.582 7.092 1.00 0.00 C ATOM 1537 C GLN A 99 -4.374 -2.783 8.032 1.00 0.00 C ATOM 1538 O GLN A 99 -3.575 -2.846 8.966 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.244 -1.704 6.079 1.00 0.00 C ATOM 1540 CG GLN A 99 -1.867 -1.770 6.719 1.00 0.00 C ATOM 1541 CD GLN A 99 -0.848 -0.906 6.001 1.00 0.00 C ATOM 1542 OE1 GLN A 99 0.248 -1.361 5.674 1.00 0.00 O ATOM 1543 NE2 GLN A 99 -1.206 0.349 5.754 1.00 0.00 N ATOM 0 H GLN A 99 -3.386 -0.227 8.344 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.335 -1.569 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.399 -2.599 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.280 -0.852 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.938 -1.453 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.522 -2.804 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.125 0.683 6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.562 0.978 5.275 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.267 -3.733 7.777 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.362 -4.934 8.600 1.00 0.00 C ATOM 1554 C LYS A 100 -5.365 -6.188 7.731 1.00 0.00 C ATOM 1555 O LYS A 100 -6.243 -6.368 6.888 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.626 -4.890 9.461 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.405 -4.285 10.838 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.631 -3.526 11.317 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.478 -2.029 11.104 1.00 0.00 C ATOM 1560 NZ LYS A 100 -8.651 -1.271 11.622 1.00 0.00 N ATOM 0 H LYS A 100 -5.935 -3.695 7.007 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.490 -4.968 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.391 -4.315 8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.012 -5.903 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.164 -5.075 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.548 -3.612 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.512 -3.882 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.795 -3.729 12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.573 -1.682 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.355 -1.824 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.635 -0.303 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.528 -1.745 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.610 -1.235 12.661 1.00 0.00 H new ATOM 1574 N THR A 101 -4.377 -7.051 7.943 1.00 0.00 N ATOM 1575 CA THR A 101 -4.265 -8.289 7.179 1.00 0.00 C ATOM 1576 C THR A 101 -4.443 -9.504 8.082 1.00 0.00 C ATOM 1577 O THR A 101 -3.865 -9.574 9.168 1.00 0.00 O ATOM 1578 CB THR A 101 -2.909 -8.356 6.475 1.00 0.00 C ATOM 1579 OG1 THR A 101 -1.868 -8.567 7.411 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.577 -7.103 5.693 1.00 0.00 C ATOM 0 H THR A 101 -3.642 -6.916 8.637 1.00 0.00 H new ATOM 0 HA THR A 101 -5.057 -8.298 6.430 1.00 0.00 H new ATOM 0 HB THR A 101 -2.987 -9.190 5.777 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.234 -7.821 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.602 -7.218 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.336 -6.940 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.554 -6.248 6.369 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.247 -10.461 7.627 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.500 -11.674 8.394 1.00 0.00 C ATOM 1590 C LEU A 102 -5.783 -12.855 7.469 1.00 0.00 C ATOM 1591 O LEU A 102 -6.010 -12.677 6.272 1.00 0.00 O ATOM 1592 CB LEU A 102 -6.677 -11.461 9.350 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.321 -11.509 10.837 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -7.565 -11.312 11.690 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.640 -12.825 11.180 1.00 0.00 C ATOM 0 H LEU A 102 -5.734 -10.419 6.732 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.606 -11.901 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.132 -10.495 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.431 -12.221 9.148 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.626 -10.697 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.293 -11.349 12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.011 -10.343 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.284 -12.102 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.394 -12.841 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.311 -13.653 10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.726 -12.925 10.594 1.00 0.00 H new ATOM 1607 N THR A 103 -5.771 -14.057 8.033 1.00 0.00 N ATOM 1608 CA THR A 103 -6.028 -15.267 7.261 1.00 0.00 C ATOM 1609 C THR A 103 -7.525 -15.561 7.194 1.00 0.00 C ATOM 1610 O THR A 103 -8.286 -15.147 8.068 1.00 0.00 O ATOM 1611 CB THR A 103 -5.291 -16.457 7.879 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.728 -16.682 9.208 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.788 -16.278 7.914 1.00 0.00 C ATOM 0 H THR A 103 -5.586 -14.220 9.023 1.00 0.00 H new ATOM 0 HA THR A 103 -5.661 -15.107 6.247 1.00 0.00 H new ATOM 0 HB THR A 103 -5.524 -17.306 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.213 -17.417 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.327 -17.157 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.413 -16.151 6.898 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.540 -15.396 8.505 1.00 0.00 H new ATOM 1621 N PRO A 104 -7.968 -16.282 6.150 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.383 -16.628 5.974 1.00 0.00 C ATOM 1623 C PRO A 104 -9.890 -17.555 7.073 1.00 0.00 C ATOM 1624 O PRO A 104 -11.065 -17.514 7.440 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.416 -17.337 4.617 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.025 -17.825 4.404 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.129 -16.815 5.062 1.00 0.00 C ATOM 0 HA PRO A 104 -10.025 -15.749 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.128 -18.162 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.721 -16.656 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.887 -18.814 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.800 -17.913 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.217 -17.274 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.825 -16.032 4.367 1.00 0.00 H new ATOM 1635 N GLU A 105 -8.999 -18.390 7.595 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.358 -19.327 8.654 1.00 0.00 C ATOM 1637 C GLU A 105 -9.643 -18.590 9.959 1.00 0.00 C ATOM 1638 O GLU A 105 -10.509 -18.994 10.735 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.236 -20.346 8.865 1.00 0.00 C ATOM 1640 CG GLU A 105 -8.709 -21.652 9.479 1.00 0.00 C ATOM 1641 CD GLU A 105 -7.574 -22.459 10.080 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -6.766 -21.876 10.833 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.494 -23.673 9.799 1.00 0.00 O ATOM 0 H GLU A 105 -8.023 -18.438 7.303 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.263 -19.852 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.762 -20.556 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.474 -19.907 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.448 -21.439 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.209 -22.248 8.716 1.00 0.00 H new ATOM 1650 N GLN A 106 -8.909 -17.508 10.193 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.083 -16.713 11.404 1.00 0.00 C ATOM 1652 C GLN A 106 -10.352 -15.872 11.324 1.00 0.00 C ATOM 1653 O GLN A 106 -11.162 -15.859 12.253 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.870 -15.809 11.624 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.594 -16.570 11.942 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.530 -17.024 13.387 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -6.662 -16.219 14.309 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.326 -18.319 13.592 1.00 0.00 N ATOM 0 H GLN A 106 -8.188 -17.161 9.561 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.175 -17.397 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.710 -15.206 10.730 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.085 -15.119 12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.522 -17.439 11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.734 -15.936 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.222 -18.951 12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.273 -18.683 14.544 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.521 -15.167 10.209 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.692 -14.322 10.009 1.00 0.00 C ATOM 1669 C TRP A 107 -12.977 -15.142 10.076 1.00 0.00 C ATOM 1670 O TRP A 107 -13.957 -14.730 10.697 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.603 -13.600 8.666 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.082 -12.183 8.729 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.341 -11.734 8.468 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.309 -11.033 9.085 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.399 -10.370 8.632 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.164 -9.917 9.011 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -9.977 -10.838 9.456 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -11.727 -8.625 9.295 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -9.544 -9.556 9.739 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.418 -8.463 9.657 1.00 0.00 C ATOM 0 H TRP A 107 -9.862 -15.165 9.431 1.00 0.00 H new ATOM 0 HA TRP A 107 -11.714 -13.583 10.810 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.569 -13.613 8.321 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.192 -14.144 7.928 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.172 -12.358 8.175 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.227 -9.790 8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.297 -11.674 9.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.398 -7.781 9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -8.516 -9.394 10.028 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.050 -7.473 9.884 1.00 0.00 H new ATOM 1691 N THR A 108 -12.965 -16.306 9.434 1.00 0.00 N ATOM 1692 CA THR A 108 -14.128 -17.183 9.421 1.00 0.00 C ATOM 1693 C THR A 108 -14.516 -17.595 10.838 1.00 0.00 C ATOM 1694 O THR A 108 -15.689 -17.828 11.128 1.00 0.00 O ATOM 1695 CB THR A 108 -13.841 -18.426 8.576 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.482 -18.062 7.255 1.00 0.00 O ATOM 1697 CG2 THR A 108 -15.017 -19.372 8.486 1.00 0.00 C ATOM 0 H THR A 108 -12.162 -16.663 8.916 1.00 0.00 H new ATOM 0 HA THR A 108 -14.962 -16.636 8.982 1.00 0.00 H new ATOM 0 HB THR A 108 -13.022 -18.937 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.522 -18.210 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.746 -20.232 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.289 -19.711 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.865 -18.857 8.034 1.00 0.00 H new ATOM 1705 N ARG A 109 -13.522 -17.683 11.717 1.00 0.00 N ATOM 1706 CA ARG A 109 -13.759 -18.065 13.103 1.00 0.00 C ATOM 1707 C ARG A 109 -14.454 -16.943 13.866 1.00 0.00 C ATOM 1708 O ARG A 109 -15.227 -17.192 14.792 1.00 0.00 O ATOM 1709 CB ARG A 109 -12.439 -18.421 13.789 1.00 0.00 C ATOM 1710 CG ARG A 109 -11.894 -19.782 13.387 1.00 0.00 C ATOM 1711 CD ARG A 109 -12.662 -20.910 14.056 1.00 0.00 C ATOM 1712 NE ARG A 109 -12.238 -21.118 15.438 1.00 0.00 N ATOM 1713 CZ ARG A 109 -11.061 -21.635 15.783 1.00 0.00 C ATOM 1714 NH1 ARG A 109 -10.189 -21.997 14.851 1.00 0.00 N ATOM 1715 NH2 ARG A 109 -10.755 -21.789 17.064 1.00 0.00 N ATOM 0 H ARG A 109 -12.545 -17.495 11.493 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.410 -18.939 13.106 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.698 -17.657 13.552 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.583 -18.401 14.869 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.952 -19.893 12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.840 -19.847 13.658 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.728 -20.685 14.034 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.519 -21.831 13.491 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.882 -20.851 16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.419 -21.880 13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.289 -22.393 15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.421 -21.511 17.784 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.853 -22.185 17.329 1.00 0.00 H new ATOM 1729 N GLN A 110 -14.176 -15.703 13.472 1.00 0.00 N ATOM 1730 CA GLN A 110 -14.774 -14.542 14.120 1.00 0.00 C ATOM 1731 C GLN A 110 -15.683 -13.788 13.154 1.00 0.00 C ATOM 1732 O GLN A 110 -15.724 -12.558 13.156 1.00 0.00 O ATOM 1733 CB GLN A 110 -13.683 -13.608 14.647 1.00 0.00 C ATOM 1734 CG GLN A 110 -13.197 -13.967 16.041 1.00 0.00 C ATOM 1735 CD GLN A 110 -11.900 -14.751 16.023 1.00 0.00 C ATOM 1736 OE1 GLN A 110 -11.844 -15.892 16.481 1.00 0.00 O ATOM 1737 NE2 GLN A 110 -10.846 -14.140 15.492 1.00 0.00 N ATOM 0 H GLN A 110 -13.540 -15.478 12.707 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.377 -14.894 14.957 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.837 -13.627 13.960 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.064 -12.587 14.656 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.057 -13.054 16.619 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.964 -14.552 16.549 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.937 -13.193 15.124 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -9.946 -14.618 15.453 1.00 0.00 H new ATOM 1746 N ARG A 111 -16.410 -14.534 12.329 1.00 0.00 N ATOM 1747 CA ARG A 111 -17.319 -13.936 11.359 1.00 0.00 C ATOM 1748 C ARG A 111 -18.754 -13.947 11.878 1.00 0.00 C ATOM 1749 O ARG A 111 -19.704 -14.084 11.107 1.00 0.00 O ATOM 1750 CB ARG A 111 -17.239 -14.684 10.025 1.00 0.00 C ATOM 1751 CG ARG A 111 -16.242 -14.082 9.049 1.00 0.00 C ATOM 1752 CD ARG A 111 -16.923 -13.151 8.059 1.00 0.00 C ATOM 1753 NE ARG A 111 -16.383 -13.296 6.709 1.00 0.00 N ATOM 1754 CZ ARG A 111 -16.504 -14.402 5.978 1.00 0.00 C ATOM 1755 NH1 ARG A 111 -17.143 -15.459 6.460 1.00 0.00 N ATOM 1756 NH2 ARG A 111 -15.982 -14.449 4.759 1.00 0.00 N ATOM 0 H ARG A 111 -16.387 -15.554 12.313 1.00 0.00 H new ATOM 0 HA ARG A 111 -17.017 -12.900 11.205 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -16.967 -15.722 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.226 -14.693 9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -15.478 -13.533 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -15.733 -14.880 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -17.993 -13.357 8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -16.801 -12.119 8.389 1.00 0.00 H new ATOM 0 HE ARG A 111 -15.885 -12.504 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -17.546 -15.428 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -17.232 -16.303 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.489 -13.639 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.074 -15.295 4.197 1.00 0.00 H new ATOM 1770 N ARG A 112 -18.902 -13.801 13.190 1.00 0.00 N ATOM 1771 CA ARG A 112 -20.220 -13.793 13.815 1.00 0.00 C ATOM 1772 C ARG A 112 -20.577 -12.397 14.316 1.00 0.00 C ATOM 1773 O ARG A 112 -19.792 -11.759 15.017 1.00 0.00 O ATOM 1774 CB ARG A 112 -20.265 -14.790 14.974 1.00 0.00 C ATOM 1775 CG ARG A 112 -19.727 -16.165 14.615 1.00 0.00 C ATOM 1776 CD ARG A 112 -20.280 -17.239 15.538 1.00 0.00 C ATOM 1777 NE ARG A 112 -19.282 -18.259 15.852 1.00 0.00 N ATOM 1778 CZ ARG A 112 -19.375 -19.094 16.883 1.00 0.00 C ATOM 1779 NH1 ARG A 112 -20.418 -19.035 17.702 1.00 0.00 N ATOM 1780 NH2 ARG A 112 -18.423 -19.994 17.095 1.00 0.00 N ATOM 0 H ARG A 112 -18.126 -13.687 13.842 1.00 0.00 H new ATOM 0 HA ARG A 112 -20.952 -14.088 13.063 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -19.689 -14.390 15.809 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -21.295 -14.890 15.316 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -19.988 -16.401 13.583 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -18.639 -16.158 14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -20.630 -16.778 16.462 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -21.144 -17.710 15.069 1.00 0.00 H new ATOM 0 HE ARG A 112 -18.466 -18.335 15.245 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -21.154 -18.347 17.542 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -20.484 -19.678 18.491 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.621 -20.045 16.467 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.494 -20.635 17.886 1.00 0.00 H new ATOM 1794 N GLU A 113 -21.766 -11.928 13.951 1.00 0.00 N ATOM 1795 CA GLU A 113 -22.226 -10.608 14.364 1.00 0.00 C ATOM 1796 C GLU A 113 -22.381 -10.535 15.880 1.00 0.00 C ATOM 1797 O GLU A 113 -22.594 -11.596 16.504 1.00 0.00 O ATOM 1798 CB GLU A 113 -23.558 -10.275 13.688 1.00 0.00 C ATOM 1799 CG GLU A 113 -23.460 -10.166 12.175 1.00 0.00 C ATOM 1800 CD GLU A 113 -22.810 -8.873 11.724 1.00 0.00 C ATOM 1801 OE1 GLU A 113 -21.866 -8.414 12.402 1.00 0.00 O ATOM 1802 OE2 GLU A 113 -23.245 -8.317 10.693 1.00 0.00 O ATOM 1803 OXT GLU A 113 -22.287 -9.418 16.430 1.00 0.00 O ATOM 0 H GLU A 113 -22.428 -12.443 13.370 1.00 0.00 H new ATOM 0 HA GLU A 113 -21.477 -9.878 14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -24.288 -11.044 13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -23.934 -9.334 14.088 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -22.887 -11.010 11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -24.459 -10.236 11.744 1.00 0.00 H new TER 1810 GLU A 113