USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 4 SER OG : rot 84:sc= 0.588 USER MOD Set 1.2: A 92 GLN : amide:sc= -2.51! K(o=-1.4!,f=0.48) USER MOD Set 1.3: A 103 GLN : amide:sc= 0 X(o=-1.4,f=-1.1) USER MOD Set 1.4: A 105 THR OG1 : rot 180:sc= 0.528 USER MOD Set 2.1: A 52 CYS SG : rot -120:sc= -2.57! USER MOD Set 2.2: A 54 HIS : no HE2:sc= -0.813! C(o=-3.4!,f=-12!) USER MOD Set 3.1: A 41 SER OG : rot -111:sc= 0.811 USER MOD Set 3.2: A 53 HIS : no HD1:sc= -1.6 K(o=-0.78,f=-5.3!) USER MOD Set 4.1: A 30 ASN : amide:sc= -0.53 X(o=-0.65,f=-0.24) USER MOD Set 4.2: A 38 THR OG1 : rot 101:sc= -0.125 USER MOD Set 5.1: A 25 CYS SG : rot -138:sc= -0.675 USER MOD Set 5.2: A 131 TYR OH : rot 167:sc= 0.518 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0482 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.625 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.032) USER MOD Single : A 8 HIS : no HD1:sc= 0.318 K(o=0.52,f=-2.8!) USER MOD Single : A 11 GLN : amide:sc= 0.114 K(o=0.11,f=-4.3!) USER MOD Single : A 21 ASN : amide:sc= -2.03 K(o=-2,f=-0.62) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00485 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc=-0.000131 X(o=-0.00013,f=-0.016) USER MOD Single : A 39 THR OG1 : rot -31:sc= 0.0579 USER MOD Single : A 55 MET CE :methyl -170:sc= -0.358 (180deg=-0.818) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00305 USER MOD Single : A 77 THR OG1 : rot 106:sc= 0.185 USER MOD Single : A 80 SER OG : rot -70:sc= 0.791 USER MOD Single : A 83 MET CE :methyl 169:sc= 0 (180deg=-0.113) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 66:sc= 0.801 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 116 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.008) USER MOD Single : A 117 GLN : amide:sc= 0.404 K(o=0.4,f=-8.4!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 122 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.5) USER MOD Single : A 127 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.58) USER MOD Single : A 129 LYS NZ :NH3+ -176:sc= -0.0329 (180deg=-0.0947) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.378 16.384 3.746 1.00 0.00 N ATOM 2 CA MET A 1 7.748 16.093 5.058 1.00 0.00 C ATOM 3 C MET A 1 7.039 14.746 4.998 1.00 0.00 C ATOM 4 O MET A 1 6.211 14.524 4.128 1.00 0.00 O ATOM 5 CB MET A 1 6.750 17.218 5.444 1.00 0.00 C ATOM 6 CG MET A 1 6.067 17.039 6.809 1.00 0.00 C ATOM 7 SD MET A 1 4.859 18.340 7.163 1.00 0.00 S ATOM 8 CE MET A 1 3.591 18.036 5.925 1.00 0.00 C ATOM 0 H1 MET A 1 9.410 16.442 3.862 1.00 0.00 H new ATOM 0 H2 MET A 1 8.147 15.625 3.074 1.00 0.00 H new ATOM 0 H3 MET A 1 8.019 17.290 3.382 1.00 0.00 H new ATOM 0 HA MET A 1 8.523 16.052 5.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.280 18.170 5.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.980 17.280 4.675 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.569 16.070 6.837 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.826 17.031 7.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.684 18.579 6.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.944 18.376 4.951 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.375 16.969 5.880 1.00 0.00 H new ATOM 20 N LYS A 2 7.352 13.865 5.945 1.00 0.00 N ATOM 21 CA LYS A 2 6.808 12.504 5.991 1.00 0.00 C ATOM 22 C LYS A 2 5.772 12.389 7.119 1.00 0.00 C ATOM 23 O LYS A 2 5.977 12.925 8.213 1.00 0.00 O ATOM 24 CB LYS A 2 7.941 11.476 6.210 1.00 0.00 C ATOM 25 CG LYS A 2 9.052 11.473 5.137 1.00 0.00 C ATOM 26 CD LYS A 2 10.215 10.523 5.514 1.00 0.00 C ATOM 27 CE LYS A 2 11.334 10.499 4.460 1.00 0.00 C ATOM 28 NZ LYS A 2 10.869 9.976 3.149 1.00 0.00 N ATOM 0 H LYS A 2 7.995 14.074 6.709 1.00 0.00 H new ATOM 0 HA LYS A 2 6.323 12.292 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.398 11.667 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.501 10.480 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.631 11.169 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.436 12.485 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.632 10.831 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.825 9.514 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.725 11.508 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.157 9.883 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.674 9.916 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.457 9.030 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.149 10.615 2.756 1.00 0.00 H new ATOM 42 N ILE A 3 4.648 11.721 6.833 1.00 0.00 N ATOM 43 CA ILE A 3 3.643 11.339 7.830 1.00 0.00 C ATOM 44 C ILE A 3 3.703 9.814 8.006 1.00 0.00 C ATOM 45 O ILE A 3 3.618 9.074 7.018 1.00 0.00 O ATOM 46 CB ILE A 3 2.201 11.774 7.382 1.00 0.00 C ATOM 47 CG1 ILE A 3 2.168 13.295 7.019 1.00 0.00 C ATOM 48 CG2 ILE A 3 1.146 11.424 8.472 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.844 13.771 6.466 1.00 0.00 C ATOM 0 H ILE A 3 4.408 11.426 5.886 1.00 0.00 H new ATOM 0 HA ILE A 3 3.857 11.843 8.772 1.00 0.00 H new ATOM 0 HB ILE A 3 1.940 11.213 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.406 13.875 7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.949 13.500 6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.157 11.736 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.147 10.348 8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.394 11.942 9.398 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.906 14.836 6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.611 13.220 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.060 13.601 7.203 1.00 0.00 H new ATOM 61 N SER A 4 3.857 9.351 9.251 1.00 0.00 N ATOM 62 CA SER A 4 4.031 7.929 9.555 1.00 0.00 C ATOM 63 C SER A 4 2.825 7.401 10.346 1.00 0.00 C ATOM 64 O SER A 4 2.532 7.870 11.449 1.00 0.00 O ATOM 65 CB SER A 4 5.344 7.716 10.340 1.00 0.00 C ATOM 66 OG SER A 4 5.607 6.338 10.557 1.00 0.00 O ATOM 0 H SER A 4 3.864 9.952 10.075 1.00 0.00 H new ATOM 0 HA SER A 4 4.093 7.369 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.173 8.163 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.282 8.230 11.299 1.00 0.00 H new ATOM 0 HG SER A 4 6.053 5.962 9.769 1.00 0.00 H new ATOM 72 N ILE A 5 2.139 6.421 9.754 1.00 0.00 N ATOM 73 CA ILE A 5 1.050 5.659 10.373 1.00 0.00 C ATOM 74 C ILE A 5 1.502 4.200 10.554 1.00 0.00 C ATOM 75 O ILE A 5 2.581 3.817 10.091 1.00 0.00 O ATOM 76 CB ILE A 5 -0.257 5.708 9.492 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.000 5.151 8.051 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.837 7.138 9.432 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.221 5.117 7.142 1.00 0.00 C ATOM 0 H ILE A 5 2.332 6.125 8.797 1.00 0.00 H new ATOM 0 HA ILE A 5 0.817 6.105 11.340 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.995 5.064 9.970 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.770 5.759 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.399 4.140 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.737 7.140 8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.084 7.473 10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.099 7.812 8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.939 4.716 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.988 4.484 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.611 6.127 7.019 1.00 0.00 H new ATOM 91 N GLU A 6 0.679 3.386 11.230 1.00 0.00 N ATOM 92 CA GLU A 6 1.036 1.994 11.562 1.00 0.00 C ATOM 93 C GLU A 6 -0.205 1.088 11.666 1.00 0.00 C ATOM 94 O GLU A 6 -1.343 1.567 11.649 1.00 0.00 O ATOM 95 CB GLU A 6 1.847 1.955 12.888 1.00 0.00 C ATOM 96 CG GLU A 6 1.076 2.479 14.123 1.00 0.00 C ATOM 97 CD GLU A 6 1.905 2.456 15.419 1.00 0.00 C ATOM 98 OE1 GLU A 6 2.002 1.390 16.054 1.00 0.00 O ATOM 99 OE2 GLU A 6 2.473 3.496 15.801 1.00 0.00 O ATOM 0 H GLU A 6 -0.244 3.667 11.560 1.00 0.00 H new ATOM 0 HA GLU A 6 1.651 1.608 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.160 0.928 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.754 2.547 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.747 3.500 13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.179 1.876 14.264 1.00 0.00 H new ATOM 106 N ALA A 7 0.055 -0.231 11.757 1.00 0.00 N ATOM 107 CA ALA A 7 -0.967 -1.272 11.941 1.00 0.00 C ATOM 108 C ALA A 7 -0.309 -2.526 12.523 1.00 0.00 C ATOM 109 O ALA A 7 0.727 -2.948 12.036 1.00 0.00 O ATOM 110 CB ALA A 7 -1.662 -1.596 10.603 1.00 0.00 C ATOM 0 H ALA A 7 1.002 -0.607 11.703 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.728 -0.910 12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.414 -2.369 10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.141 -0.697 10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.922 -1.952 9.886 1.00 0.00 H new ATOM 116 N HIS A 8 -0.900 -3.114 13.569 1.00 0.00 N ATOM 117 CA HIS A 8 -0.395 -4.359 14.173 1.00 0.00 C ATOM 118 C HIS A 8 -1.298 -5.513 13.725 1.00 0.00 C ATOM 119 O HIS A 8 -2.265 -5.858 14.401 1.00 0.00 O ATOM 120 CB HIS A 8 -0.342 -4.247 15.718 1.00 0.00 C ATOM 121 CG HIS A 8 0.621 -3.212 16.239 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.750 -3.537 16.946 1.00 0.00 N ATOM 123 CD2 HIS A 8 0.610 -1.856 16.170 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.390 -2.442 17.291 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.721 -1.411 16.835 1.00 0.00 N ATOM 0 H HIS A 8 -1.737 -2.746 14.021 1.00 0.00 H new ATOM 0 HA HIS A 8 0.625 -4.546 13.838 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.341 -4.013 16.087 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.069 -5.218 16.130 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.135 -1.244 15.683 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.310 -2.399 17.854 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.986 -0.433 16.956 1.00 0.00 H new ATOM 134 N ILE A 9 -1.019 -6.045 12.529 1.00 0.00 N ATOM 135 CA ILE A 9 -1.803 -7.138 11.932 1.00 0.00 C ATOM 136 C ILE A 9 -1.373 -8.468 12.566 1.00 0.00 C ATOM 137 O ILE A 9 -0.234 -8.876 12.376 1.00 0.00 O ATOM 138 CB ILE A 9 -1.594 -7.206 10.366 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.818 -5.802 9.713 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.520 -8.276 9.725 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.659 -5.762 8.202 1.00 0.00 C ATOM 0 H ILE A 9 -0.243 -5.731 11.946 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.860 -6.951 12.124 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.563 -7.504 10.176 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.820 -5.456 9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.115 -5.096 10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.355 -8.301 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.294 -9.254 10.150 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.561 -8.024 9.927 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.834 -4.747 7.845 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.649 -6.072 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.380 -6.438 7.742 1.00 0.00 H new ATOM 153 N GLU A 10 -2.283 -9.142 13.296 1.00 0.00 N ATOM 154 CA GLU A 10 -1.983 -10.419 13.981 1.00 0.00 C ATOM 155 C GLU A 10 -1.937 -11.560 12.944 1.00 0.00 C ATOM 156 O GLU A 10 -2.886 -12.329 12.794 1.00 0.00 O ATOM 157 CB GLU A 10 -3.023 -10.714 15.099 1.00 0.00 C ATOM 158 CG GLU A 10 -3.118 -9.637 16.195 1.00 0.00 C ATOM 159 CD GLU A 10 -4.092 -10.021 17.325 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.701 -10.802 18.221 1.00 0.00 O ATOM 161 OE2 GLU A 10 -5.248 -9.570 17.317 1.00 0.00 O ATOM 0 H GLU A 10 -3.242 -8.821 13.428 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.008 -10.342 14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.005 -10.833 14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.772 -11.666 15.566 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.128 -9.466 16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.440 -8.697 15.747 1.00 0.00 H new ATOM 168 N GLN A 11 -0.829 -11.596 12.203 1.00 0.00 N ATOM 169 CA GLN A 11 -0.616 -12.499 11.070 1.00 0.00 C ATOM 170 C GLN A 11 0.885 -12.521 10.749 1.00 0.00 C ATOM 171 O GLN A 11 1.628 -11.672 11.246 1.00 0.00 O ATOM 172 CB GLN A 11 -1.472 -12.018 9.855 1.00 0.00 C ATOM 173 CG GLN A 11 -1.478 -12.941 8.626 1.00 0.00 C ATOM 174 CD GLN A 11 -1.907 -14.374 8.945 1.00 0.00 C ATOM 175 OE1 GLN A 11 -1.073 -15.251 9.197 1.00 0.00 O ATOM 176 NE2 GLN A 11 -3.207 -14.615 8.971 1.00 0.00 N ATOM 0 H GLN A 11 -0.034 -10.982 12.378 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.933 -13.514 11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.501 -11.886 10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.109 -11.038 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.150 -12.528 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.480 -12.957 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.868 -13.868 8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.548 -15.547 9.204 1.00 0.00 H new ATOM 185 N GLU A 12 1.344 -13.507 9.969 1.00 0.00 N ATOM 186 CA GLU A 12 2.760 -13.639 9.595 1.00 0.00 C ATOM 187 C GLU A 12 3.146 -12.587 8.548 1.00 0.00 C ATOM 188 O GLU A 12 2.341 -12.263 7.672 1.00 0.00 O ATOM 189 CB GLU A 12 3.038 -15.059 9.037 1.00 0.00 C ATOM 190 CG GLU A 12 2.412 -16.223 9.837 1.00 0.00 C ATOM 191 CD GLU A 12 2.966 -16.401 11.256 1.00 0.00 C ATOM 192 OE1 GLU A 12 2.615 -15.603 12.143 1.00 0.00 O ATOM 193 OE2 GLU A 12 3.740 -17.354 11.496 1.00 0.00 O ATOM 0 H GLU A 12 0.746 -14.236 9.579 1.00 0.00 H new ATOM 0 HA GLU A 12 3.363 -13.480 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.670 -15.106 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.117 -15.209 8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.335 -16.064 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.566 -17.149 9.284 1.00 0.00 H new ATOM 200 N ILE A 13 4.395 -12.107 8.628 1.00 0.00 N ATOM 201 CA ILE A 13 4.970 -11.133 7.679 1.00 0.00 C ATOM 202 C ILE A 13 4.934 -11.678 6.227 1.00 0.00 C ATOM 203 O ILE A 13 4.866 -10.910 5.268 1.00 0.00 O ATOM 204 CB ILE A 13 6.436 -10.765 8.120 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.036 -9.624 7.251 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.355 -12.015 8.127 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.423 -9.195 7.671 1.00 0.00 C ATOM 0 H ILE A 13 5.046 -12.386 9.362 1.00 0.00 H new ATOM 0 HA ILE A 13 4.365 -10.226 7.694 1.00 0.00 H new ATOM 0 HB ILE A 13 6.378 -10.391 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.067 -9.951 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.371 -8.761 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.360 -11.726 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.959 -12.754 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.393 -12.445 7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.771 -8.396 7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.397 -8.835 8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.103 -10.044 7.601 1.00 0.00 H new ATOM 219 N GLU A 14 4.923 -13.018 6.096 1.00 0.00 N ATOM 220 CA GLU A 14 4.784 -13.703 4.806 1.00 0.00 C ATOM 221 C GLU A 14 3.399 -13.433 4.196 1.00 0.00 C ATOM 222 O GLU A 14 3.299 -12.967 3.071 1.00 0.00 O ATOM 223 CB GLU A 14 5.014 -15.225 4.978 1.00 0.00 C ATOM 224 CG GLU A 14 6.349 -15.600 5.648 1.00 0.00 C ATOM 225 CD GLU A 14 7.593 -15.002 4.952 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.050 -15.562 3.940 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.128 -13.981 5.429 1.00 0.00 O ATOM 0 H GLU A 14 5.011 -13.655 6.888 1.00 0.00 H new ATOM 0 HA GLU A 14 5.539 -13.312 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.197 -15.638 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.969 -15.699 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.330 -15.265 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.442 -16.686 5.666 1.00 0.00 H new ATOM 234 N ALA A 15 2.341 -13.685 4.979 1.00 0.00 N ATOM 235 CA ALA A 15 0.942 -13.531 4.516 1.00 0.00 C ATOM 236 C ALA A 15 0.579 -12.053 4.287 1.00 0.00 C ATOM 237 O ALA A 15 -0.195 -11.724 3.385 1.00 0.00 O ATOM 238 CB ALA A 15 -0.006 -14.171 5.527 1.00 0.00 C ATOM 0 H ALA A 15 2.422 -14.000 5.946 1.00 0.00 H new ATOM 0 HA ALA A 15 0.841 -14.039 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.034 -14.057 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.228 -15.231 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.111 -13.683 6.495 1.00 0.00 H new ATOM 244 N VAL A 16 1.155 -11.176 5.118 1.00 0.00 N ATOM 245 CA VAL A 16 0.936 -9.722 5.033 1.00 0.00 C ATOM 246 C VAL A 16 1.601 -9.150 3.760 1.00 0.00 C ATOM 247 O VAL A 16 0.941 -8.473 2.971 1.00 0.00 O ATOM 248 CB VAL A 16 1.460 -8.997 6.329 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.342 -7.459 6.234 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.725 -9.523 7.591 1.00 0.00 C ATOM 0 H VAL A 16 1.787 -11.452 5.870 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.136 -9.538 4.966 1.00 0.00 H new ATOM 0 HB VAL A 16 2.521 -9.232 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.717 -7.008 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.929 -7.101 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.297 -7.182 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.104 -9.008 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.345 -9.337 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.899 -10.594 7.694 1.00 0.00 H new ATOM 260 N TRP A 17 2.897 -9.466 3.549 1.00 0.00 N ATOM 261 CA TRP A 17 3.634 -9.057 2.322 1.00 0.00 C ATOM 262 C TRP A 17 2.979 -9.659 1.069 1.00 0.00 C ATOM 263 O TRP A 17 2.911 -9.001 0.030 1.00 0.00 O ATOM 264 CB TRP A 17 5.127 -9.482 2.394 1.00 0.00 C ATOM 265 CG TRP A 17 5.955 -9.154 1.149 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.192 -9.968 0.065 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.659 -7.935 0.873 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.982 -9.331 -0.849 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.285 -8.085 -0.381 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.821 -6.738 1.562 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.056 -7.082 -0.950 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.589 -5.749 0.996 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.200 -5.924 -0.250 1.00 0.00 C ATOM 0 H TRP A 17 3.459 -10.003 4.209 1.00 0.00 H new ATOM 0 HA TRP A 17 3.588 -7.970 2.258 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.586 -8.996 3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.175 -10.556 2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.807 -10.971 -0.047 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.295 -9.723 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.352 -6.589 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.525 -7.215 -1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.724 -4.817 1.524 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.797 -5.125 -0.664 1.00 0.00 H new ATOM 284 N TRP A 18 2.495 -10.905 1.192 1.00 0.00 N ATOM 285 CA TRP A 18 1.838 -11.625 0.089 1.00 0.00 C ATOM 286 C TRP A 18 0.589 -10.854 -0.366 1.00 0.00 C ATOM 287 O TRP A 18 0.444 -10.546 -1.537 1.00 0.00 O ATOM 288 CB TRP A 18 1.469 -13.069 0.499 1.00 0.00 C ATOM 289 CG TRP A 18 0.842 -13.884 -0.618 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.492 -14.537 -1.632 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.560 -14.119 -0.836 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.586 -15.141 -2.465 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.676 -14.906 -1.996 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.724 -13.735 -0.162 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.901 -15.313 -2.497 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.943 -14.145 -0.661 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.023 -14.927 -1.821 1.00 0.00 C ATOM 0 H TRP A 18 2.548 -11.441 2.058 1.00 0.00 H new ATOM 0 HA TRP A 18 2.539 -11.691 -0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.368 -13.578 0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.778 -13.032 1.341 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.564 -14.571 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.817 -15.679 -3.300 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.669 -13.130 0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.967 -15.915 -3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.850 -13.859 -0.149 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.992 -15.231 -2.188 1.00 0.00 H new ATOM 308 N ALA A 19 -0.272 -10.511 0.594 1.00 0.00 N ATOM 309 CA ALA A 19 -1.500 -9.737 0.343 1.00 0.00 C ATOM 310 C ALA A 19 -1.182 -8.335 -0.219 1.00 0.00 C ATOM 311 O ALA A 19 -1.962 -7.778 -1.005 1.00 0.00 O ATOM 312 CB ALA A 19 -2.319 -9.634 1.635 1.00 0.00 C ATOM 0 H ALA A 19 -0.141 -10.761 1.574 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.088 -10.260 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.227 -9.061 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.586 -10.634 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.727 -9.134 2.402 1.00 0.00 H new ATOM 318 N TRP A 20 -0.027 -7.780 0.195 1.00 0.00 N ATOM 319 CA TRP A 20 0.399 -6.430 -0.208 1.00 0.00 C ATOM 320 C TRP A 20 0.885 -6.389 -1.673 1.00 0.00 C ATOM 321 O TRP A 20 0.561 -5.456 -2.410 1.00 0.00 O ATOM 322 CB TRP A 20 1.509 -5.895 0.737 1.00 0.00 C ATOM 323 CG TRP A 20 1.878 -4.442 0.476 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.862 -3.963 -0.355 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.251 -3.281 1.048 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.862 -2.590 -0.342 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.886 -2.149 0.512 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.209 -3.095 1.957 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.509 -0.854 0.853 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.164 -1.810 2.302 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.485 -0.700 1.749 1.00 0.00 C ATOM 0 H TRP A 20 0.632 -8.253 0.814 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.476 -5.785 -0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.177 -5.998 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.400 -6.514 0.626 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.537 -4.577 -0.934 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.489 -1.994 -0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.300 -3.945 2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.008 0.003 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.967 -1.660 3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.173 0.294 2.034 1.00 0.00 H new ATOM 342 N ASN A 21 1.681 -7.393 -2.075 1.00 0.00 N ATOM 343 CA ASN A 21 2.423 -7.360 -3.366 1.00 0.00 C ATOM 344 C ASN A 21 1.673 -8.094 -4.497 1.00 0.00 C ATOM 345 O ASN A 21 1.863 -7.772 -5.677 1.00 0.00 O ATOM 346 CB ASN A 21 3.869 -7.928 -3.207 1.00 0.00 C ATOM 347 CG ASN A 21 4.008 -9.463 -3.167 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.992 -10.009 -3.668 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.077 -10.171 -2.553 1.00 0.00 N ATOM 0 H ASN A 21 1.834 -8.242 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 21 2.494 -6.311 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.475 -7.553 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.295 -7.523 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.167 -11.185 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.268 -9.704 -2.143 1.00 0.00 H new ATOM 356 N ASP A 22 0.822 -9.072 -4.127 1.00 0.00 N ATOM 357 CA ASP A 22 0.096 -9.929 -5.093 1.00 0.00 C ATOM 358 C ASP A 22 -1.027 -9.117 -5.774 1.00 0.00 C ATOM 359 O ASP A 22 -1.957 -8.703 -5.090 1.00 0.00 O ATOM 360 CB ASP A 22 -0.489 -11.181 -4.376 1.00 0.00 C ATOM 361 CG ASP A 22 -1.145 -12.202 -5.324 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.302 -11.995 -5.739 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.509 -13.219 -5.650 1.00 0.00 O ATOM 0 H ASP A 22 0.617 -9.292 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 22 0.794 -10.271 -5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.310 -11.676 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.228 -10.855 -3.644 1.00 0.00 H new ATOM 368 N PRO A 23 -0.947 -8.873 -7.128 1.00 0.00 N ATOM 369 CA PRO A 23 -1.913 -8.010 -7.868 1.00 0.00 C ATOM 370 C PRO A 23 -3.388 -8.444 -7.728 1.00 0.00 C ATOM 371 O PRO A 23 -4.294 -7.595 -7.710 1.00 0.00 O ATOM 372 CB PRO A 23 -1.447 -8.140 -9.336 1.00 0.00 C ATOM 373 CG PRO A 23 -0.005 -8.493 -9.247 1.00 0.00 C ATOM 374 CD PRO A 23 0.100 -9.399 -8.047 1.00 0.00 C ATOM 0 HA PRO A 23 -1.906 -6.993 -7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.011 -8.910 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.593 -7.208 -9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.335 -8.996 -10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.613 -7.603 -9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.084 -10.440 -8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.091 -9.355 -7.595 1.00 0.00 H new ATOM 382 N ASP A 24 -3.610 -9.770 -7.640 1.00 0.00 N ATOM 383 CA ASP A 24 -4.957 -10.360 -7.486 1.00 0.00 C ATOM 384 C ASP A 24 -5.526 -10.020 -6.104 1.00 0.00 C ATOM 385 O ASP A 24 -6.725 -9.781 -5.965 1.00 0.00 O ATOM 386 CB ASP A 24 -4.920 -11.902 -7.696 1.00 0.00 C ATOM 387 CG ASP A 24 -4.422 -12.317 -9.089 1.00 0.00 C ATOM 388 OD1 ASP A 24 -3.196 -12.305 -9.320 1.00 0.00 O ATOM 389 OD2 ASP A 24 -5.255 -12.627 -9.973 1.00 0.00 O ATOM 0 H ASP A 24 -2.862 -10.463 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.607 -9.934 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.275 -12.349 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.920 -12.306 -7.541 1.00 0.00 H new ATOM 394 N CYS A 25 -4.650 -9.995 -5.098 1.00 0.00 N ATOM 395 CA CYS A 25 -5.009 -9.590 -3.728 1.00 0.00 C ATOM 396 C CYS A 25 -5.319 -8.086 -3.660 1.00 0.00 C ATOM 397 O CYS A 25 -6.341 -7.679 -3.092 1.00 0.00 O ATOM 398 CB CYS A 25 -3.873 -9.962 -2.764 1.00 0.00 C ATOM 399 SG CYS A 25 -3.537 -11.729 -2.707 1.00 0.00 S ATOM 0 H CYS A 25 -3.669 -10.254 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.912 -10.123 -3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.966 -9.436 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.128 -9.615 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.339 -12.094 -1.475 1.00 0.00 H new ATOM 405 N ILE A 26 -4.448 -7.278 -4.300 1.00 0.00 N ATOM 406 CA ILE A 26 -4.581 -5.805 -4.370 1.00 0.00 C ATOM 407 C ILE A 26 -5.891 -5.403 -5.063 1.00 0.00 C ATOM 408 O ILE A 26 -6.454 -4.341 -4.782 1.00 0.00 O ATOM 409 CB ILE A 26 -3.356 -5.162 -5.123 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.007 -5.629 -4.494 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.439 -3.615 -5.125 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.775 -5.233 -5.288 1.00 0.00 C ATOM 0 H ILE A 26 -3.625 -7.632 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.598 -5.428 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.395 -5.504 -6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.926 -5.214 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.025 -6.714 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.578 -3.205 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.355 -3.300 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.443 -3.250 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.118 -5.597 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.829 -5.670 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.728 -4.147 -5.370 1.00 0.00 H new ATOM 424 N ALA A 27 -6.378 -6.294 -5.941 1.00 0.00 N ATOM 425 CA ALA A 27 -7.631 -6.111 -6.671 1.00 0.00 C ATOM 426 C ALA A 27 -8.848 -5.921 -5.733 1.00 0.00 C ATOM 427 O ALA A 27 -9.782 -5.179 -6.063 1.00 0.00 O ATOM 428 CB ALA A 27 -7.847 -7.282 -7.637 1.00 0.00 C ATOM 0 H ALA A 27 -5.904 -7.169 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.547 -5.187 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.783 -7.140 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.021 -7.326 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.892 -8.214 -7.074 1.00 0.00 H new ATOM 434 N ARG A 28 -8.823 -6.567 -4.550 1.00 0.00 N ATOM 435 CA ARG A 28 -9.935 -6.463 -3.587 1.00 0.00 C ATOM 436 C ARG A 28 -9.785 -5.197 -2.716 1.00 0.00 C ATOM 437 O ARG A 28 -10.723 -4.393 -2.621 1.00 0.00 O ATOM 438 CB ARG A 28 -10.031 -7.744 -2.718 1.00 0.00 C ATOM 439 CG ARG A 28 -11.430 -7.976 -2.110 1.00 0.00 C ATOM 440 CD ARG A 28 -11.530 -9.290 -1.312 1.00 0.00 C ATOM 441 NE ARG A 28 -12.919 -9.593 -0.904 1.00 0.00 N ATOM 442 CZ ARG A 28 -13.357 -9.766 0.358 1.00 0.00 C ATOM 443 NH1 ARG A 28 -12.527 -9.658 1.393 1.00 0.00 N ATOM 444 NH2 ARG A 28 -14.633 -10.050 0.575 1.00 0.00 N ATOM 0 H ARG A 28 -8.053 -7.160 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.868 -6.373 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.761 -8.607 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.300 -7.682 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.679 -7.140 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.170 -7.986 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.144 -10.110 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.899 -9.223 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.611 -9.679 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.543 -9.441 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.875 -9.792 2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.277 -10.136 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.971 -10.182 1.528 1.00 0.00 H new ATOM 458 N TRP A 29 -8.598 -5.018 -2.077 1.00 0.00 N ATOM 459 CA TRP A 29 -8.303 -3.804 -1.261 1.00 0.00 C ATOM 460 C TRP A 29 -7.783 -2.654 -2.179 1.00 0.00 C ATOM 461 O TRP A 29 -8.185 -2.586 -3.343 1.00 0.00 O ATOM 462 CB TRP A 29 -7.329 -4.144 -0.072 1.00 0.00 C ATOM 463 CG TRP A 29 -5.936 -4.615 -0.451 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.571 -5.877 -0.808 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.712 -3.837 -0.461 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.231 -5.925 -1.087 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.681 -4.691 -0.876 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.396 -2.499 -0.182 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.370 -4.264 -1.019 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.089 -2.076 -0.320 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.088 -2.960 -0.739 1.00 0.00 C ATOM 0 H TRP A 29 -7.834 -5.692 -2.109 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.223 -3.447 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.231 -3.256 0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.795 -4.916 0.541 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.243 -6.721 -0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.723 -6.751 -1.403 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.164 -1.810 0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.596 -4.944 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.836 -1.049 -0.102 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.074 -2.603 -0.842 1.00 0.00 H new ATOM 482 N ASN A 30 -6.968 -1.717 -1.618 1.00 0.00 N ATOM 483 CA ASN A 30 -6.313 -0.587 -2.345 1.00 0.00 C ATOM 484 C ASN A 30 -7.304 0.576 -2.540 1.00 0.00 C ATOM 485 O ASN A 30 -7.046 1.703 -2.102 1.00 0.00 O ATOM 486 CB ASN A 30 -5.640 -1.040 -3.678 1.00 0.00 C ATOM 487 CG ASN A 30 -5.047 0.103 -4.504 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.894 0.496 -4.304 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.819 0.619 -5.457 1.00 0.00 N ATOM 0 H ASN A 30 -6.742 -1.725 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.496 -0.221 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.850 -1.754 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.378 -1.566 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.463 1.366 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.767 0.267 -5.592 1.00 0.00 H new ATOM 496 N ALA A 31 -8.428 0.295 -3.201 1.00 0.00 N ATOM 497 CA ALA A 31 -9.575 1.194 -3.229 1.00 0.00 C ATOM 498 C ALA A 31 -10.252 1.148 -1.853 1.00 0.00 C ATOM 499 O ALA A 31 -10.930 0.165 -1.544 1.00 0.00 O ATOM 500 CB ALA A 31 -10.536 0.771 -4.351 1.00 0.00 C ATOM 0 H ALA A 31 -8.566 -0.565 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.264 2.218 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.393 1.445 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.018 0.815 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.880 -0.248 -4.171 1.00 0.00 H new ATOM 506 N ALA A 32 -10.000 2.171 -1.007 1.00 0.00 N ATOM 507 CA ALA A 32 -10.514 2.214 0.381 1.00 0.00 C ATOM 508 C ALA A 32 -12.056 2.128 0.403 1.00 0.00 C ATOM 509 O ALA A 32 -12.632 1.273 1.085 1.00 0.00 O ATOM 510 CB ALA A 32 -10.033 3.488 1.092 1.00 0.00 C ATOM 0 H ALA A 32 -9.440 2.984 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.121 1.349 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.420 3.504 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.943 3.501 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.394 4.364 0.553 1.00 0.00 H new ATOM 516 N SER A 33 -12.695 3.041 -0.347 1.00 0.00 N ATOM 517 CA SER A 33 -14.148 3.041 -0.592 1.00 0.00 C ATOM 518 C SER A 33 -14.632 1.693 -1.190 1.00 0.00 C ATOM 519 O SER A 33 -14.023 1.179 -2.137 1.00 0.00 O ATOM 520 CB SER A 33 -14.493 4.198 -1.558 1.00 0.00 C ATOM 521 OG SER A 33 -13.887 5.419 -1.149 1.00 0.00 O ATOM 0 H SER A 33 -12.210 3.811 -0.807 1.00 0.00 H new ATOM 0 HA SER A 33 -14.658 3.177 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.159 3.945 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.575 4.325 -1.603 1.00 0.00 H new ATOM 0 HG SER A 33 -14.123 6.129 -1.781 1.00 0.00 H new ATOM 527 N SER A 34 -15.723 1.137 -0.625 1.00 0.00 N ATOM 528 CA SER A 34 -16.358 -0.104 -1.117 1.00 0.00 C ATOM 529 C SER A 34 -17.123 0.149 -2.435 1.00 0.00 C ATOM 530 O SER A 34 -17.370 -0.779 -3.204 1.00 0.00 O ATOM 531 CB SER A 34 -17.297 -0.681 -0.034 1.00 0.00 C ATOM 532 OG SER A 34 -16.592 -0.967 1.166 1.00 0.00 O ATOM 0 H SER A 34 -16.191 1.537 0.188 1.00 0.00 H new ATOM 0 HA SER A 34 -15.577 -0.835 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.096 0.030 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.768 -1.591 -0.406 1.00 0.00 H new ATOM 0 HG SER A 34 -17.213 -1.329 1.832 1.00 0.00 H new ATOM 538 N ASP A 35 -17.479 1.431 -2.683 1.00 0.00 N ATOM 539 CA ASP A 35 -18.064 1.892 -3.972 1.00 0.00 C ATOM 540 C ASP A 35 -17.022 1.855 -5.102 1.00 0.00 C ATOM 541 O ASP A 35 -17.353 2.053 -6.276 1.00 0.00 O ATOM 542 CB ASP A 35 -18.645 3.324 -3.824 1.00 0.00 C ATOM 543 CG ASP A 35 -19.930 3.364 -2.984 1.00 0.00 C ATOM 544 OD1 ASP A 35 -19.842 3.410 -1.742 1.00 0.00 O ATOM 545 OD2 ASP A 35 -21.032 3.321 -3.561 1.00 0.00 O ATOM 0 H ASP A 35 -17.370 2.178 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.872 1.209 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.896 3.969 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.851 3.731 -4.814 1.00 0.00 H new ATOM 550 N TRP A 36 -15.763 1.597 -4.733 1.00 0.00 N ATOM 551 CA TRP A 36 -14.646 1.427 -5.659 1.00 0.00 C ATOM 552 C TRP A 36 -14.038 0.037 -5.435 1.00 0.00 C ATOM 553 O TRP A 36 -14.281 -0.601 -4.402 1.00 0.00 O ATOM 554 CB TRP A 36 -13.588 2.535 -5.440 1.00 0.00 C ATOM 555 CG TRP A 36 -14.073 3.919 -5.801 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.895 4.735 -5.069 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.765 4.641 -6.995 1.00 0.00 C ATOM 558 NE1 TRP A 36 -15.119 5.903 -5.738 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.433 5.876 -6.922 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.986 4.357 -8.114 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.348 6.827 -7.931 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -12.901 5.297 -9.108 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.576 6.521 -9.015 1.00 0.00 C ATOM 0 H TRP A 36 -15.489 1.499 -3.755 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.998 1.510 -6.687 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.280 2.529 -4.394 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.704 2.303 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.307 4.489 -4.101 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.703 6.672 -5.409 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -12.461 3.417 -8.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.871 7.769 -7.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -12.301 5.090 -9.982 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -13.484 7.238 -9.818 1.00 0.00 H new ATOM 574 N HIS A 37 -13.260 -0.430 -6.411 1.00 0.00 N ATOM 575 CA HIS A 37 -12.588 -1.732 -6.356 1.00 0.00 C ATOM 576 C HIS A 37 -11.480 -1.739 -7.410 1.00 0.00 C ATOM 577 O HIS A 37 -11.706 -1.288 -8.537 1.00 0.00 O ATOM 578 CB HIS A 37 -13.595 -2.895 -6.594 1.00 0.00 C ATOM 579 CG HIS A 37 -14.295 -2.846 -7.931 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.818 -3.490 -9.049 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.410 -2.183 -8.327 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.600 -3.220 -10.074 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.572 -2.429 -9.665 1.00 0.00 N ATOM 0 H HIS A 37 -13.076 0.088 -7.270 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.159 -1.885 -5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.064 -3.843 -6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.345 -2.878 -5.803 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.050 -1.575 -7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.467 -3.586 -11.081 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -16.322 -2.060 -10.249 1.00 0.00 H new ATOM 592 N THR A 38 -10.294 -2.237 -7.056 1.00 0.00 N ATOM 593 CA THR A 38 -9.146 -2.243 -7.969 1.00 0.00 C ATOM 594 C THR A 38 -9.362 -3.311 -9.072 1.00 0.00 C ATOM 595 O THR A 38 -9.380 -4.507 -8.801 1.00 0.00 O ATOM 596 CB THR A 38 -7.827 -2.472 -7.172 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.786 -1.559 -6.067 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.565 -2.275 -8.027 1.00 0.00 C ATOM 0 H THR A 38 -10.101 -2.643 -6.140 1.00 0.00 H new ATOM 0 HA THR A 38 -9.058 -1.274 -8.461 1.00 0.00 H new ATOM 0 HB THR A 38 -7.830 -3.508 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.046 -2.027 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.680 -2.449 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.575 -2.980 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.544 -1.257 -8.415 1.00 0.00 H new ATOM 606 N THR A 39 -9.563 -2.846 -10.317 1.00 0.00 N ATOM 607 CA THR A 39 -9.902 -3.716 -11.462 1.00 0.00 C ATOM 608 C THR A 39 -8.635 -4.327 -12.096 1.00 0.00 C ATOM 609 O THR A 39 -8.721 -5.281 -12.884 1.00 0.00 O ATOM 610 CB THR A 39 -10.744 -2.925 -12.527 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.060 -3.762 -13.651 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.035 -1.648 -13.019 1.00 0.00 C ATOM 0 H THR A 39 -9.496 -1.858 -10.560 1.00 0.00 H new ATOM 0 HA THR A 39 -10.511 -4.540 -11.091 1.00 0.00 H new ATOM 0 HB THR A 39 -11.662 -2.620 -12.025 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.340 -4.412 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.663 -1.143 -13.753 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.857 -0.982 -12.174 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.083 -1.914 -13.478 1.00 0.00 H new ATOM 620 N GLY A 40 -7.466 -3.782 -11.731 1.00 0.00 N ATOM 621 CA GLY A 40 -6.185 -4.313 -12.175 1.00 0.00 C ATOM 622 C GLY A 40 -5.023 -3.645 -11.463 1.00 0.00 C ATOM 623 O GLY A 40 -5.132 -2.491 -11.062 1.00 0.00 O ATOM 0 H GLY A 40 -7.390 -2.966 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.154 -5.387 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.084 -4.168 -13.251 1.00 0.00 H new ATOM 627 N SER A 41 -3.912 -4.374 -11.280 1.00 0.00 N ATOM 628 CA SER A 41 -2.668 -3.843 -10.702 1.00 0.00 C ATOM 629 C SER A 41 -1.457 -4.443 -11.426 1.00 0.00 C ATOM 630 O SER A 41 -1.084 -5.588 -11.158 1.00 0.00 O ATOM 631 CB SER A 41 -2.598 -4.152 -9.188 1.00 0.00 C ATOM 632 OG SER A 41 -3.615 -3.472 -8.475 1.00 0.00 O ATOM 0 H SER A 41 -3.851 -5.360 -11.532 1.00 0.00 H new ATOM 0 HA SER A 41 -2.656 -2.761 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.696 -5.226 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.622 -3.860 -8.800 1.00 0.00 H new ATOM 0 HG SER A 41 -3.213 -2.773 -7.918 1.00 0.00 H new ATOM 638 N ARG A 42 -0.841 -3.681 -12.352 1.00 0.00 N ATOM 639 CA ARG A 42 0.429 -4.081 -12.972 1.00 0.00 C ATOM 640 C ARG A 42 1.552 -3.834 -11.963 1.00 0.00 C ATOM 641 O ARG A 42 1.935 -2.694 -11.740 1.00 0.00 O ATOM 642 CB ARG A 42 0.695 -3.314 -14.300 1.00 0.00 C ATOM 643 CG ARG A 42 2.042 -3.660 -15.005 1.00 0.00 C ATOM 644 CD ARG A 42 2.078 -5.051 -15.701 1.00 0.00 C ATOM 645 NE ARG A 42 1.698 -6.176 -14.814 1.00 0.00 N ATOM 646 CZ ARG A 42 2.536 -6.928 -14.071 1.00 0.00 C ATOM 647 NH1 ARG A 42 3.831 -6.715 -14.071 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.050 -7.880 -13.301 1.00 0.00 N ATOM 0 H ARG A 42 -1.205 -2.788 -12.684 1.00 0.00 H new ATOM 0 HA ARG A 42 0.383 -5.138 -13.233 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.122 -3.521 -14.991 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.675 -2.244 -14.094 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.254 -2.892 -15.749 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.843 -3.618 -14.267 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.406 -5.035 -16.559 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.082 -5.228 -16.086 1.00 0.00 H new ATOM 0 HE ARG A 42 0.705 -6.404 -14.760 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.225 -5.967 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.444 -7.298 -13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.044 -8.046 -13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.680 -8.451 -12.737 1.00 0.00 H new ATOM 662 N VAL A 43 2.030 -4.904 -11.319 1.00 0.00 N ATOM 663 CA VAL A 43 3.079 -4.823 -10.293 1.00 0.00 C ATOM 664 C VAL A 43 4.350 -5.499 -10.818 1.00 0.00 C ATOM 665 O VAL A 43 4.370 -6.712 -11.045 1.00 0.00 O ATOM 666 CB VAL A 43 2.611 -5.501 -8.941 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.713 -5.448 -7.846 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.284 -4.866 -8.439 1.00 0.00 C ATOM 0 H VAL A 43 1.701 -5.853 -11.494 1.00 0.00 H new ATOM 0 HA VAL A 43 3.283 -3.774 -10.081 1.00 0.00 H new ATOM 0 HB VAL A 43 2.428 -6.555 -9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.346 -5.925 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.601 -5.973 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.966 -4.409 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.980 -5.346 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.433 -3.800 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.507 -5.006 -9.190 1.00 0.00 H new ATOM 678 N ASP A 44 5.386 -4.689 -11.052 1.00 0.00 N ATOM 679 CA ASP A 44 6.737 -5.165 -11.383 1.00 0.00 C ATOM 680 C ASP A 44 7.623 -4.916 -10.165 1.00 0.00 C ATOM 681 O ASP A 44 8.387 -3.946 -10.109 1.00 0.00 O ATOM 682 CB ASP A 44 7.295 -4.461 -12.648 1.00 0.00 C ATOM 683 CG ASP A 44 6.597 -4.900 -13.950 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.460 -4.467 -14.211 1.00 0.00 O ATOM 685 OD2 ASP A 44 7.178 -5.703 -14.716 1.00 0.00 O ATOM 0 H ASP A 44 5.312 -3.672 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 44 6.713 -6.229 -11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.187 -3.383 -12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.362 -4.668 -12.729 1.00 0.00 H new ATOM 690 N LEU A 45 7.438 -5.779 -9.158 1.00 0.00 N ATOM 691 CA LEU A 45 8.099 -5.667 -7.856 1.00 0.00 C ATOM 692 C LEU A 45 9.592 -6.034 -7.955 1.00 0.00 C ATOM 693 O LEU A 45 9.985 -7.183 -7.724 1.00 0.00 O ATOM 694 CB LEU A 45 7.365 -6.558 -6.821 1.00 0.00 C ATOM 695 CG LEU A 45 7.841 -6.413 -5.349 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.562 -4.999 -4.810 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.217 -7.494 -4.448 1.00 0.00 C ATOM 0 H LEU A 45 6.816 -6.585 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 45 8.047 -4.630 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.300 -6.330 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.480 -7.600 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 45 8.921 -6.562 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.906 -4.929 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.091 -4.266 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.491 -4.799 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.571 -7.364 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.131 -7.404 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.507 -8.481 -4.809 1.00 0.00 H new ATOM 709 N VAL A 46 10.384 -5.053 -8.405 1.00 0.00 N ATOM 710 CA VAL A 46 11.854 -5.070 -8.410 1.00 0.00 C ATOM 711 C VAL A 46 12.344 -3.644 -8.105 1.00 0.00 C ATOM 712 O VAL A 46 11.556 -2.684 -8.171 1.00 0.00 O ATOM 713 CB VAL A 46 12.462 -5.565 -9.789 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.255 -7.087 -10.007 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.904 -4.751 -10.985 1.00 0.00 C ATOM 0 H VAL A 46 10.003 -4.189 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 46 12.191 -5.779 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 46 13.536 -5.388 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.687 -7.380 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.743 -7.639 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.189 -7.313 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.343 -5.119 -11.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.821 -4.863 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.155 -3.698 -10.857 1.00 0.00 H new ATOM 725 N VAL A 47 13.628 -3.501 -7.757 1.00 0.00 N ATOM 726 CA VAL A 47 14.225 -2.183 -7.472 1.00 0.00 C ATOM 727 C VAL A 47 14.369 -1.397 -8.796 1.00 0.00 C ATOM 728 O VAL A 47 15.236 -1.706 -9.621 1.00 0.00 O ATOM 729 CB VAL A 47 15.617 -2.326 -6.744 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.256 -0.945 -6.441 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.472 -3.174 -5.457 1.00 0.00 C ATOM 0 H VAL A 47 14.278 -4.281 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 47 13.569 -1.635 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 47 16.294 -2.845 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.213 -1.089 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.413 -0.404 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.591 -0.370 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.442 -3.262 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.767 -2.691 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.104 -4.167 -5.715 1.00 0.00 H new ATOM 741 N GLY A 48 13.474 -0.420 -8.996 1.00 0.00 N ATOM 742 CA GLY A 48 13.394 0.367 -10.235 1.00 0.00 C ATOM 743 C GLY A 48 12.209 -0.035 -11.114 1.00 0.00 C ATOM 744 O GLY A 48 11.976 0.576 -12.164 1.00 0.00 O ATOM 0 H GLY A 48 12.780 -0.151 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.313 1.425 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.318 0.243 -10.799 1.00 0.00 H new ATOM 748 N GLY A 49 11.466 -1.071 -10.684 1.00 0.00 N ATOM 749 CA GLY A 49 10.256 -1.526 -11.377 1.00 0.00 C ATOM 750 C GLY A 49 9.059 -0.644 -11.087 1.00 0.00 C ATOM 751 O GLY A 49 9.044 0.044 -10.084 1.00 0.00 O ATOM 0 H GLY A 49 11.690 -1.612 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.440 -1.542 -12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.031 -2.549 -11.076 1.00 0.00 H new ATOM 755 N ARG A 50 8.056 -0.652 -11.974 1.00 0.00 N ATOM 756 CA ARG A 50 6.867 0.225 -11.848 1.00 0.00 C ATOM 757 C ARG A 50 5.626 -0.542 -11.359 1.00 0.00 C ATOM 758 O ARG A 50 5.537 -1.764 -11.484 1.00 0.00 O ATOM 759 CB ARG A 50 6.572 0.927 -13.203 1.00 0.00 C ATOM 760 CG ARG A 50 7.546 2.070 -13.562 1.00 0.00 C ATOM 761 CD ARG A 50 7.204 2.726 -14.916 1.00 0.00 C ATOM 762 NE ARG A 50 5.775 3.110 -15.003 1.00 0.00 N ATOM 763 CZ ARG A 50 5.301 4.307 -15.389 1.00 0.00 C ATOM 764 NH1 ARG A 50 6.117 5.287 -15.743 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.002 4.518 -15.401 1.00 0.00 N ATOM 0 H ARG A 50 8.037 -1.258 -12.795 1.00 0.00 H new ATOM 0 HA ARG A 50 7.096 0.978 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.600 0.181 -13.997 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.558 1.326 -13.177 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.520 2.826 -12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.563 1.680 -13.596 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.826 3.610 -15.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.443 2.035 -15.724 1.00 0.00 H new ATOM 0 HE ARG A 50 5.088 2.401 -14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.126 5.141 -15.726 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.736 6.188 -16.033 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.362 3.776 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.635 5.424 -15.693 1.00 0.00 H new ATOM 779 N PHE A 51 4.669 0.218 -10.789 1.00 0.00 N ATOM 780 CA PHE A 51 3.341 -0.292 -10.390 1.00 0.00 C ATOM 781 C PHE A 51 2.230 0.601 -10.960 1.00 0.00 C ATOM 782 O PHE A 51 2.447 1.792 -11.199 1.00 0.00 O ATOM 783 CB PHE A 51 3.222 -0.403 -8.848 1.00 0.00 C ATOM 784 CG PHE A 51 3.438 0.910 -8.079 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.706 1.287 -7.647 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.370 1.757 -7.786 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.894 2.461 -6.955 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.557 2.930 -7.092 1.00 0.00 C ATOM 789 CZ PHE A 51 3.821 3.284 -6.676 1.00 0.00 C ATOM 0 H PHE A 51 4.797 1.210 -10.591 1.00 0.00 H new ATOM 0 HA PHE A 51 3.226 -1.294 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.233 -0.791 -8.603 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.948 -1.136 -8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.553 0.650 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.376 1.487 -8.110 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.885 2.740 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.715 3.571 -6.874 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.973 4.205 -6.132 1.00 0.00 H new ATOM 799 N CYS A 52 1.043 0.004 -11.186 1.00 0.00 N ATOM 800 CA CYS A 52 -0.129 0.714 -11.717 1.00 0.00 C ATOM 801 C CYS A 52 -1.426 0.066 -11.191 1.00 0.00 C ATOM 802 O CYS A 52 -1.823 -0.989 -11.676 1.00 0.00 O ATOM 803 CB CYS A 52 -0.071 0.652 -13.254 1.00 0.00 C ATOM 804 SG CYS A 52 -1.227 1.736 -14.097 1.00 0.00 S ATOM 0 H CYS A 52 0.874 -0.985 -11.004 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.123 1.754 -11.391 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.940 0.902 -13.575 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.261 -0.374 -13.569 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.031 1.026 -14.832 1.00 0.00 H new ATOM 810 N HIS A 53 -2.086 0.695 -10.196 1.00 0.00 N ATOM 811 CA HIS A 53 -3.266 0.108 -9.501 1.00 0.00 C ATOM 812 C HIS A 53 -4.556 0.794 -9.972 1.00 0.00 C ATOM 813 O HIS A 53 -4.995 1.791 -9.380 1.00 0.00 O ATOM 814 CB HIS A 53 -3.128 0.230 -7.961 1.00 0.00 C ATOM 815 CG HIS A 53 -1.838 -0.329 -7.431 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.655 -1.658 -7.146 1.00 0.00 N ATOM 817 CD2 HIS A 53 -0.649 0.265 -7.186 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.414 -1.862 -6.751 1.00 0.00 C ATOM 819 NE2 HIS A 53 0.220 -0.711 -6.769 1.00 0.00 N ATOM 0 H HIS A 53 -1.824 1.618 -9.849 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.313 -0.951 -9.754 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.203 1.280 -7.679 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.962 -0.288 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.424 1.315 -7.298 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.009 -2.813 -6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.197 -0.567 -6.515 1.00 0.00 H new ATOM 828 N HIS A 54 -5.126 0.271 -11.063 1.00 0.00 N ATOM 829 CA HIS A 54 -6.355 0.793 -11.677 1.00 0.00 C ATOM 830 C HIS A 54 -7.563 0.430 -10.813 1.00 0.00 C ATOM 831 O HIS A 54 -7.783 -0.744 -10.551 1.00 0.00 O ATOM 832 CB HIS A 54 -6.545 0.192 -13.096 1.00 0.00 C ATOM 833 CG HIS A 54 -5.497 0.592 -14.107 1.00 0.00 C ATOM 834 ND1 HIS A 54 -5.793 1.298 -15.252 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.164 0.354 -14.161 1.00 0.00 C ATOM 836 CE1 HIS A 54 -4.701 1.474 -15.962 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.699 0.916 -15.326 1.00 0.00 N ATOM 0 H HIS A 54 -4.743 -0.538 -11.552 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.271 1.877 -11.753 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.553 -0.895 -13.015 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.523 0.491 -13.472 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.721 1.634 -15.510 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.577 -0.178 -13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.639 1.990 -16.908 1.00 0.00 H new ATOM 846 N MET A 55 -8.350 1.432 -10.402 1.00 0.00 N ATOM 847 CA MET A 55 -9.554 1.232 -9.569 1.00 0.00 C ATOM 848 C MET A 55 -10.785 1.691 -10.347 1.00 0.00 C ATOM 849 O MET A 55 -10.849 2.838 -10.792 1.00 0.00 O ATOM 850 CB MET A 55 -9.480 2.016 -8.232 1.00 0.00 C ATOM 851 CG MET A 55 -8.175 1.868 -7.453 1.00 0.00 C ATOM 852 SD MET A 55 -8.229 2.733 -5.866 1.00 0.00 S ATOM 853 CE MET A 55 -8.851 4.360 -6.320 1.00 0.00 C ATOM 0 H MET A 55 -8.174 2.409 -10.636 1.00 0.00 H new ATOM 0 HA MET A 55 -9.617 0.170 -9.330 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.639 3.074 -8.442 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.302 1.691 -7.594 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.973 0.811 -7.282 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.351 2.258 -8.050 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.761 5.035 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.271 4.751 -7.156 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.898 4.281 -6.611 1.00 0.00 H new ATOM 863 N ALA A 56 -11.755 0.800 -10.495 1.00 0.00 N ATOM 864 CA ALA A 56 -13.024 1.097 -11.153 1.00 0.00 C ATOM 865 C ALA A 56 -14.117 1.263 -10.098 1.00 0.00 C ATOM 866 O ALA A 56 -14.090 0.593 -9.054 1.00 0.00 O ATOM 867 CB ALA A 56 -13.384 -0.033 -12.119 1.00 0.00 C ATOM 0 H ALA A 56 -11.684 -0.160 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.933 2.024 -11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.332 0.194 -12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.602 -0.131 -12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.475 -0.968 -11.567 1.00 0.00 H new ATOM 873 N ALA A 57 -15.059 2.171 -10.359 1.00 0.00 N ATOM 874 CA ALA A 57 -16.278 2.297 -9.559 1.00 0.00 C ATOM 875 C ALA A 57 -17.236 1.138 -9.891 1.00 0.00 C ATOM 876 O ALA A 57 -17.153 0.562 -10.982 1.00 0.00 O ATOM 877 CB ALA A 57 -16.925 3.652 -9.835 1.00 0.00 C ATOM 0 H ALA A 57 -14.999 2.838 -11.129 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.038 2.242 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.833 3.749 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.230 4.448 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.174 3.727 -10.893 1.00 0.00 H new ATOM 883 N LYS A 58 -18.150 0.817 -8.964 1.00 0.00 N ATOM 884 CA LYS A 58 -19.079 -0.337 -9.099 1.00 0.00 C ATOM 885 C LYS A 58 -20.057 -0.192 -10.284 1.00 0.00 C ATOM 886 O LYS A 58 -20.512 -1.195 -10.843 1.00 0.00 O ATOM 887 CB LYS A 58 -19.886 -0.551 -7.797 1.00 0.00 C ATOM 888 CG LYS A 58 -19.036 -0.920 -6.567 1.00 0.00 C ATOM 889 CD LYS A 58 -19.902 -1.298 -5.344 1.00 0.00 C ATOM 890 CE LYS A 58 -20.836 -2.491 -5.619 1.00 0.00 C ATOM 891 NZ LYS A 58 -21.561 -2.929 -4.400 1.00 0.00 N ATOM 0 H LYS A 58 -18.274 1.342 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.449 -1.205 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.443 0.360 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.619 -1.340 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.382 -1.755 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.393 -0.079 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.251 -1.539 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.499 -0.436 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.557 -2.216 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.253 -3.324 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.177 -3.734 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.875 -3.217 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.139 -2.143 -4.039 1.00 0.00 H new ATOM 905 N ASP A 59 -20.380 1.053 -10.647 1.00 0.00 N ATOM 906 CA ASP A 59 -21.291 1.348 -11.773 1.00 0.00 C ATOM 907 C ASP A 59 -20.484 1.782 -13.007 1.00 0.00 C ATOM 908 O ASP A 59 -21.056 2.044 -14.064 1.00 0.00 O ATOM 909 CB ASP A 59 -22.314 2.438 -11.362 1.00 0.00 C ATOM 910 CG ASP A 59 -23.125 2.057 -10.107 1.00 0.00 C ATOM 911 OD1 ASP A 59 -22.649 2.306 -8.975 1.00 0.00 O ATOM 912 OD2 ASP A 59 -24.221 1.483 -10.245 1.00 0.00 O ATOM 0 H ASP A 59 -20.023 1.885 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.844 0.445 -12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.786 3.373 -11.177 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.999 2.617 -12.191 1.00 0.00 H new ATOM 917 N GLY A 60 -19.143 1.866 -12.851 1.00 0.00 N ATOM 918 CA GLY A 60 -18.236 2.265 -13.933 1.00 0.00 C ATOM 919 C GLY A 60 -18.449 3.701 -14.409 1.00 0.00 C ATOM 920 O GLY A 60 -18.150 4.029 -15.560 1.00 0.00 O ATOM 0 H GLY A 60 -18.668 1.658 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.206 2.152 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.369 1.588 -14.776 1.00 0.00 H new ATOM 924 N SER A 61 -18.977 4.559 -13.518 1.00 0.00 N ATOM 925 CA SER A 61 -19.219 5.983 -13.829 1.00 0.00 C ATOM 926 C SER A 61 -17.900 6.783 -13.783 1.00 0.00 C ATOM 927 O SER A 61 -17.788 7.847 -14.408 1.00 0.00 O ATOM 928 CB SER A 61 -20.252 6.574 -12.842 1.00 0.00 C ATOM 929 OG SER A 61 -20.602 7.903 -13.184 1.00 0.00 O ATOM 0 H SER A 61 -19.246 4.291 -12.571 1.00 0.00 H new ATOM 0 HA SER A 61 -19.622 6.056 -14.839 1.00 0.00 H new ATOM 0 HB2 SER A 61 -21.147 5.952 -12.836 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.843 6.554 -11.832 1.00 0.00 H new ATOM 0 HG SER A 61 -21.257 8.245 -12.540 1.00 0.00 H new ATOM 935 N ALA A 62 -16.906 6.251 -13.050 1.00 0.00 N ATOM 936 CA ALA A 62 -15.574 6.861 -12.921 1.00 0.00 C ATOM 937 C ALA A 62 -14.499 5.790 -12.671 1.00 0.00 C ATOM 938 O ALA A 62 -14.806 4.625 -12.370 1.00 0.00 O ATOM 939 CB ALA A 62 -15.562 7.925 -11.804 1.00 0.00 C ATOM 0 H ALA A 62 -17.007 5.380 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.340 7.358 -13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.566 8.362 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.284 8.707 -12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.827 7.459 -10.855 1.00 0.00 H new ATOM 945 N GLY A 63 -13.241 6.221 -12.817 1.00 0.00 N ATOM 946 CA GLY A 63 -12.060 5.409 -12.551 1.00 0.00 C ATOM 947 C GLY A 63 -10.963 6.262 -11.940 1.00 0.00 C ATOM 948 O GLY A 63 -11.010 7.493 -12.045 1.00 0.00 O ATOM 0 H GLY A 63 -13.016 7.165 -13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.316 4.593 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.705 4.956 -13.477 1.00 0.00 H new ATOM 952 N PHE A 64 -9.979 5.619 -11.303 1.00 0.00 N ATOM 953 CA PHE A 64 -8.867 6.302 -10.620 1.00 0.00 C ATOM 954 C PHE A 64 -7.716 5.298 -10.448 1.00 0.00 C ATOM 955 O PHE A 64 -7.933 4.200 -9.963 1.00 0.00 O ATOM 956 CB PHE A 64 -9.341 6.871 -9.254 1.00 0.00 C ATOM 957 CG PHE A 64 -8.406 7.922 -8.647 1.00 0.00 C ATOM 958 CD1 PHE A 64 -7.344 7.559 -7.819 1.00 0.00 C ATOM 959 CD2 PHE A 64 -8.602 9.282 -8.903 1.00 0.00 C ATOM 960 CE1 PHE A 64 -6.516 8.514 -7.268 1.00 0.00 C ATOM 961 CE2 PHE A 64 -7.773 10.237 -8.347 1.00 0.00 C ATOM 962 CZ PHE A 64 -6.728 9.854 -7.530 1.00 0.00 C ATOM 0 H PHE A 64 -9.928 4.602 -11.244 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.517 7.147 -11.213 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -10.330 7.312 -9.381 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.448 6.047 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.168 6.515 -7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.414 9.591 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.699 8.213 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.942 11.284 -8.552 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.078 10.600 -7.097 1.00 0.00 H new ATOM 972 N ASP A 65 -6.495 5.691 -10.817 1.00 0.00 N ATOM 973 CA ASP A 65 -5.352 4.768 -10.960 1.00 0.00 C ATOM 974 C ASP A 65 -4.135 5.282 -10.169 1.00 0.00 C ATOM 975 O ASP A 65 -3.874 6.484 -10.144 1.00 0.00 O ATOM 976 CB ASP A 65 -5.037 4.615 -12.479 1.00 0.00 C ATOM 977 CG ASP A 65 -3.773 3.806 -12.829 1.00 0.00 C ATOM 978 OD1 ASP A 65 -3.402 2.854 -12.107 1.00 0.00 O ATOM 979 OD2 ASP A 65 -3.172 4.095 -13.879 1.00 0.00 O ATOM 0 H ASP A 65 -6.264 6.662 -11.027 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.600 3.790 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.892 4.142 -12.961 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.938 5.611 -12.911 1.00 0.00 H new ATOM 984 N PHE A 66 -3.393 4.350 -9.540 1.00 0.00 N ATOM 985 CA PHE A 66 -2.186 4.650 -8.737 1.00 0.00 C ATOM 986 C PHE A 66 -0.924 4.134 -9.453 1.00 0.00 C ATOM 987 O PHE A 66 -0.497 2.986 -9.242 1.00 0.00 O ATOM 988 CB PHE A 66 -2.279 4.018 -7.318 1.00 0.00 C ATOM 989 CG PHE A 66 -3.416 4.545 -6.433 1.00 0.00 C ATOM 990 CD1 PHE A 66 -3.470 5.891 -6.066 1.00 0.00 C ATOM 991 CD2 PHE A 66 -4.402 3.694 -5.933 1.00 0.00 C ATOM 992 CE1 PHE A 66 -4.468 6.362 -5.234 1.00 0.00 C ATOM 993 CE2 PHE A 66 -5.401 4.168 -5.107 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.433 5.504 -4.753 1.00 0.00 C ATOM 0 H PHE A 66 -3.615 3.355 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.122 5.733 -8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.397 2.940 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.333 4.185 -6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.721 6.574 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.383 2.647 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.492 7.406 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.159 3.494 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.211 5.874 -4.102 1.00 0.00 H new ATOM 1004 N THR A 67 -0.349 4.976 -10.319 1.00 0.00 N ATOM 1005 CA THR A 67 0.930 4.695 -10.993 1.00 0.00 C ATOM 1006 C THR A 67 2.117 5.156 -10.130 1.00 0.00 C ATOM 1007 O THR A 67 1.963 6.011 -9.248 1.00 0.00 O ATOM 1008 CB THR A 67 1.000 5.385 -12.401 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.698 6.785 -12.294 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.036 4.746 -13.398 1.00 0.00 C ATOM 0 H THR A 67 -0.757 5.875 -10.575 1.00 0.00 H new ATOM 0 HA THR A 67 0.991 3.616 -11.134 1.00 0.00 H new ATOM 0 HB THR A 67 2.018 5.251 -12.767 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.748 7.199 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.117 5.254 -14.359 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.286 3.692 -13.522 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.985 4.835 -13.025 1.00 0.00 H new ATOM 1018 N GLY A 68 3.290 4.571 -10.393 1.00 0.00 N ATOM 1019 CA GLY A 68 4.521 4.953 -9.719 1.00 0.00 C ATOM 1020 C GLY A 68 5.654 3.993 -10.026 1.00 0.00 C ATOM 1021 O GLY A 68 5.536 3.150 -10.918 1.00 0.00 O ATOM 0 H GLY A 68 3.406 3.823 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.805 5.960 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.352 4.983 -8.643 1.00 0.00 H new ATOM 1025 N THR A 69 6.752 4.118 -9.264 1.00 0.00 N ATOM 1026 CA THR A 69 7.949 3.280 -9.416 1.00 0.00 C ATOM 1027 C THR A 69 8.511 2.886 -8.037 1.00 0.00 C ATOM 1028 O THR A 69 8.723 3.753 -7.182 1.00 0.00 O ATOM 1029 CB THR A 69 9.054 4.040 -10.231 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.527 4.475 -11.492 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.301 3.181 -10.490 1.00 0.00 C ATOM 0 H THR A 69 6.833 4.810 -8.519 1.00 0.00 H new ATOM 0 HA THR A 69 7.662 2.378 -9.957 1.00 0.00 H new ATOM 0 HB THR A 69 9.353 4.893 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.224 4.949 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.030 3.760 -11.057 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.739 2.879 -9.539 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.020 2.294 -11.058 1.00 0.00 H new ATOM 1039 N PHE A 70 8.726 1.573 -7.834 1.00 0.00 N ATOM 1040 CA PHE A 70 9.455 1.030 -6.677 1.00 0.00 C ATOM 1041 C PHE A 70 10.910 1.522 -6.715 1.00 0.00 C ATOM 1042 O PHE A 70 11.612 1.277 -7.693 1.00 0.00 O ATOM 1043 CB PHE A 70 9.431 -0.523 -6.673 1.00 0.00 C ATOM 1044 CG PHE A 70 8.028 -1.144 -6.685 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.201 -1.052 -5.570 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.541 -1.821 -7.805 1.00 0.00 C ATOM 1047 CE1 PHE A 70 5.938 -1.613 -5.570 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.277 -2.384 -7.804 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.476 -2.280 -6.684 1.00 0.00 C ATOM 0 H PHE A 70 8.394 0.853 -8.476 1.00 0.00 H new ATOM 0 HA PHE A 70 8.965 1.379 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.980 -0.883 -7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.963 -0.879 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.552 -0.534 -4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.160 -1.906 -8.686 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.311 -1.528 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.917 -2.905 -8.679 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.490 -2.720 -6.681 1.00 0.00 H new ATOM 1059 N THR A 71 11.332 2.238 -5.673 1.00 0.00 N ATOM 1060 CA THR A 71 12.689 2.799 -5.575 1.00 0.00 C ATOM 1061 C THR A 71 13.628 1.842 -4.821 1.00 0.00 C ATOM 1062 O THR A 71 14.845 1.909 -4.975 1.00 0.00 O ATOM 1063 CB THR A 71 12.634 4.186 -4.861 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.930 4.068 -3.613 1.00 0.00 O ATOM 1065 CG2 THR A 71 11.948 5.247 -5.733 1.00 0.00 C ATOM 0 H THR A 71 10.743 2.449 -4.867 1.00 0.00 H new ATOM 0 HA THR A 71 13.085 2.930 -6.582 1.00 0.00 H new ATOM 0 HB THR A 71 13.661 4.504 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.901 4.942 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.929 6.198 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.500 5.363 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.927 4.934 -5.952 1.00 0.00 H new ATOM 1073 N ARG A 72 13.036 0.959 -4.008 1.00 0.00 N ATOM 1074 CA ARG A 72 13.761 -0.016 -3.174 1.00 0.00 C ATOM 1075 C ARG A 72 12.790 -1.123 -2.751 1.00 0.00 C ATOM 1076 O ARG A 72 11.666 -0.837 -2.359 1.00 0.00 O ATOM 1077 CB ARG A 72 14.374 0.698 -1.924 1.00 0.00 C ATOM 1078 CG ARG A 72 14.888 -0.227 -0.797 1.00 0.00 C ATOM 1079 CD ARG A 72 15.287 0.551 0.474 1.00 0.00 C ATOM 1080 NE ARG A 72 15.918 -0.326 1.476 1.00 0.00 N ATOM 1081 CZ ARG A 72 16.248 0.024 2.731 1.00 0.00 C ATOM 1082 NH1 ARG A 72 15.993 1.247 3.187 1.00 0.00 N ATOM 1083 NH2 ARG A 72 16.857 -0.849 3.516 1.00 0.00 N ATOM 0 H ARG A 72 12.023 0.898 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 72 14.580 -0.457 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.201 1.324 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.619 1.363 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.114 -0.953 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.748 -0.790 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.975 1.353 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.403 1.020 0.906 1.00 0.00 H new ATOM 0 HE ARG A 72 16.123 -1.284 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.541 1.933 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.249 1.499 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.074 -1.783 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.110 -0.588 4.469 1.00 0.00 H new ATOM 1097 N VAL A 73 13.220 -2.387 -2.846 1.00 0.00 N ATOM 1098 CA VAL A 73 12.412 -3.545 -2.425 1.00 0.00 C ATOM 1099 C VAL A 73 13.260 -4.404 -1.486 1.00 0.00 C ATOM 1100 O VAL A 73 14.282 -4.955 -1.911 1.00 0.00 O ATOM 1101 CB VAL A 73 11.924 -4.429 -3.642 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.027 -5.603 -3.156 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.194 -3.575 -4.706 1.00 0.00 C ATOM 0 H VAL A 73 14.137 -2.639 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 73 11.518 -3.168 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 73 12.809 -4.855 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.706 -6.194 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.593 -6.234 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.152 -5.204 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.872 -4.215 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.324 -3.098 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.871 -2.810 -5.085 1.00 0.00 H new ATOM 1113 N GLU A 74 12.863 -4.480 -0.213 1.00 0.00 N ATOM 1114 CA GLU A 74 13.528 -5.331 0.784 1.00 0.00 C ATOM 1115 C GLU A 74 12.510 -6.356 1.312 1.00 0.00 C ATOM 1116 O GLU A 74 11.931 -6.184 2.385 1.00 0.00 O ATOM 1117 CB GLU A 74 14.116 -4.455 1.923 1.00 0.00 C ATOM 1118 CG GLU A 74 15.021 -5.219 2.905 1.00 0.00 C ATOM 1119 CD GLU A 74 15.521 -4.350 4.061 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.549 -3.657 3.900 1.00 0.00 O ATOM 1121 OE2 GLU A 74 14.885 -4.347 5.137 1.00 0.00 O ATOM 0 H GLU A 74 12.072 -3.954 0.158 1.00 0.00 H new ATOM 0 HA GLU A 74 14.361 -5.871 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.687 -3.639 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.295 -4.004 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.472 -6.070 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.877 -5.620 2.363 1.00 0.00 H new ATOM 1128 N ALA A 75 12.277 -7.411 0.520 1.00 0.00 N ATOM 1129 CA ALA A 75 11.238 -8.409 0.789 1.00 0.00 C ATOM 1130 C ALA A 75 11.659 -9.353 1.938 1.00 0.00 C ATOM 1131 O ALA A 75 12.817 -9.773 1.979 1.00 0.00 O ATOM 1132 CB ALA A 75 10.946 -9.208 -0.491 1.00 0.00 C ATOM 0 H ALA A 75 12.809 -7.596 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 75 10.330 -7.893 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.173 -9.950 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.603 -8.530 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.855 -9.712 -0.821 1.00 0.00 H new ATOM 1138 N PRO A 76 10.744 -9.698 2.902 1.00 0.00 N ATOM 1139 CA PRO A 76 9.373 -9.157 3.010 1.00 0.00 C ATOM 1140 C PRO A 76 9.245 -8.018 4.054 1.00 0.00 C ATOM 1141 O PRO A 76 8.136 -7.651 4.432 1.00 0.00 O ATOM 1142 CB PRO A 76 8.616 -10.419 3.472 1.00 0.00 C ATOM 1143 CG PRO A 76 9.560 -11.084 4.422 1.00 0.00 C ATOM 1144 CD PRO A 76 10.967 -10.716 3.962 1.00 0.00 C ATOM 0 HA PRO A 76 9.011 -8.697 2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.675 -10.163 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.374 -11.069 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.385 -10.746 5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.420 -12.165 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.563 -10.315 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.501 -11.584 3.576 1.00 0.00 H new ATOM 1152 N THR A 77 10.388 -7.463 4.498 1.00 0.00 N ATOM 1153 CA THR A 77 10.458 -6.608 5.699 1.00 0.00 C ATOM 1154 C THR A 77 10.253 -5.103 5.412 1.00 0.00 C ATOM 1155 O THR A 77 10.077 -4.322 6.354 1.00 0.00 O ATOM 1156 CB THR A 77 11.827 -6.835 6.420 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.909 -6.609 5.500 1.00 0.00 O ATOM 1158 CG2 THR A 77 11.947 -8.253 6.986 1.00 0.00 C ATOM 0 H THR A 77 11.288 -7.594 4.036 1.00 0.00 H new ATOM 0 HA THR A 77 9.629 -6.905 6.341 1.00 0.00 H new ATOM 0 HB THR A 77 11.878 -6.128 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.339 -5.752 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.913 -8.368 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.149 -8.425 7.708 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.865 -8.977 6.175 1.00 0.00 H new ATOM 1166 N ARG A 78 10.256 -4.701 4.134 1.00 0.00 N ATOM 1167 CA ARG A 78 10.147 -3.281 3.733 1.00 0.00 C ATOM 1168 C ARG A 78 9.908 -3.145 2.221 1.00 0.00 C ATOM 1169 O ARG A 78 10.418 -3.931 1.424 1.00 0.00 O ATOM 1170 CB ARG A 78 11.412 -2.463 4.185 1.00 0.00 C ATOM 1171 CG ARG A 78 11.626 -1.109 3.456 1.00 0.00 C ATOM 1172 CD ARG A 78 12.530 -0.133 4.234 1.00 0.00 C ATOM 1173 NE ARG A 78 11.762 0.673 5.202 1.00 0.00 N ATOM 1174 CZ ARG A 78 11.859 0.627 6.532 1.00 0.00 C ATOM 1175 NH1 ARG A 78 12.665 -0.234 7.140 1.00 0.00 N ATOM 1176 NH2 ARG A 78 11.109 1.435 7.253 1.00 0.00 N ATOM 0 H ARG A 78 10.334 -5.345 3.347 1.00 0.00 H new ATOM 0 HA ARG A 78 9.281 -2.860 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.336 -2.272 5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.297 -3.081 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.065 -1.297 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.657 -0.639 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.302 -0.694 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.039 0.529 3.533 1.00 0.00 H new ATOM 0 HE ARG A 78 11.088 1.333 4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.229 -0.881 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.721 -0.249 8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.468 2.081 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.169 1.414 8.271 1.00 0.00 H new ATOM 1190 N LEU A 79 9.118 -2.129 1.846 1.00 0.00 N ATOM 1191 CA LEU A 79 8.886 -1.751 0.458 1.00 0.00 C ATOM 1192 C LEU A 79 8.889 -0.227 0.346 1.00 0.00 C ATOM 1193 O LEU A 79 8.100 0.446 1.000 1.00 0.00 O ATOM 1194 CB LEU A 79 7.551 -2.337 -0.066 1.00 0.00 C ATOM 1195 CG LEU A 79 7.263 -2.111 -1.581 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.470 -2.532 -2.454 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.966 -2.840 -2.015 1.00 0.00 C ATOM 0 H LEU A 79 8.618 -1.542 2.514 1.00 0.00 H new ATOM 0 HA LEU A 79 9.685 -2.161 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.544 -3.409 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.734 -1.902 0.509 1.00 0.00 H new ATOM 0 HG LEU A 79 7.109 -1.043 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.236 -2.362 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.343 -1.942 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.682 -3.590 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.788 -2.666 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.073 -3.910 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.124 -2.458 -1.439 1.00 0.00 H new ATOM 1209 N SER A 80 9.780 0.296 -0.488 1.00 0.00 N ATOM 1210 CA SER A 80 9.936 1.732 -0.713 1.00 0.00 C ATOM 1211 C SER A 80 9.609 2.041 -2.184 1.00 0.00 C ATOM 1212 O SER A 80 10.135 1.386 -3.094 1.00 0.00 O ATOM 1213 CB SER A 80 11.380 2.163 -0.374 1.00 0.00 C ATOM 1214 OG SER A 80 11.844 1.576 0.837 1.00 0.00 O ATOM 0 H SER A 80 10.425 -0.273 -1.036 1.00 0.00 H new ATOM 0 HA SER A 80 9.255 2.288 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.044 1.880 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.423 3.249 -0.290 1.00 0.00 H new ATOM 0 HG SER A 80 11.372 1.977 1.597 1.00 0.00 H new ATOM 1220 N PHE A 81 8.756 3.037 -2.411 1.00 0.00 N ATOM 1221 CA PHE A 81 8.286 3.404 -3.745 1.00 0.00 C ATOM 1222 C PHE A 81 7.775 4.837 -3.754 1.00 0.00 C ATOM 1223 O PHE A 81 7.326 5.337 -2.741 1.00 0.00 O ATOM 1224 CB PHE A 81 7.186 2.420 -4.236 1.00 0.00 C ATOM 1225 CG PHE A 81 5.985 2.187 -3.299 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.026 1.194 -2.321 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.802 2.913 -3.435 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.933 0.936 -1.519 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.711 2.661 -2.629 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.774 1.668 -1.672 1.00 0.00 C ATOM 0 H PHE A 81 8.368 3.617 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 81 9.127 3.336 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.805 2.786 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.656 1.456 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.929 0.617 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.739 3.687 -4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.985 0.160 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.807 3.241 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.918 1.465 -1.045 1.00 0.00 H new ATOM 1240 N VAL A 82 7.839 5.490 -4.916 1.00 0.00 N ATOM 1241 CA VAL A 82 7.310 6.846 -5.113 1.00 0.00 C ATOM 1242 C VAL A 82 6.085 6.746 -6.022 1.00 0.00 C ATOM 1243 O VAL A 82 6.063 5.932 -6.951 1.00 0.00 O ATOM 1244 CB VAL A 82 8.389 7.824 -5.725 1.00 0.00 C ATOM 1245 CG1 VAL A 82 7.805 9.235 -5.997 1.00 0.00 C ATOM 1246 CG2 VAL A 82 9.625 7.912 -4.801 1.00 0.00 C ATOM 0 H VAL A 82 8.262 5.092 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 82 7.034 7.267 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 82 8.697 7.412 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.581 9.875 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.978 9.157 -6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.446 9.666 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.358 8.590 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.322 8.286 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.067 6.922 -4.690 1.00 0.00 H new ATOM 1256 N MET A 83 5.064 7.551 -5.728 1.00 0.00 N ATOM 1257 CA MET A 83 3.826 7.605 -6.516 1.00 0.00 C ATOM 1258 C MET A 83 3.951 8.661 -7.616 1.00 0.00 C ATOM 1259 O MET A 83 4.924 9.430 -7.641 1.00 0.00 O ATOM 1260 CB MET A 83 2.626 7.924 -5.588 1.00 0.00 C ATOM 1261 CG MET A 83 2.444 6.924 -4.448 1.00 0.00 C ATOM 1262 SD MET A 83 0.966 7.254 -3.469 1.00 0.00 S ATOM 1263 CE MET A 83 -0.322 6.688 -4.575 1.00 0.00 C ATOM 0 H MET A 83 5.070 8.189 -4.932 1.00 0.00 H new ATOM 0 HA MET A 83 3.656 6.636 -6.985 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.760 8.920 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 83 1.714 7.950 -6.185 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.386 5.916 -4.859 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.320 6.954 -3.799 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.270 6.646 -4.038 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.411 7.378 -5.414 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.071 5.695 -4.947 1.00 0.00 H new ATOM 1273 N ASP A 84 2.951 8.712 -8.504 1.00 0.00 N ATOM 1274 CA ASP A 84 2.885 9.707 -9.602 1.00 0.00 C ATOM 1275 C ASP A 84 2.773 11.139 -9.053 1.00 0.00 C ATOM 1276 O ASP A 84 3.246 12.099 -9.675 1.00 0.00 O ATOM 1277 CB ASP A 84 1.682 9.398 -10.526 1.00 0.00 C ATOM 1278 CG ASP A 84 1.534 10.392 -11.690 1.00 0.00 C ATOM 1279 OD1 ASP A 84 2.295 10.283 -12.673 1.00 0.00 O ATOM 1280 OD2 ASP A 84 0.678 11.305 -11.623 1.00 0.00 O ATOM 0 H ASP A 84 2.160 8.068 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 84 3.809 9.637 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.793 8.391 -10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.767 9.405 -9.933 1.00 0.00 H new ATOM 1285 N ASP A 85 2.189 11.258 -7.851 1.00 0.00 N ATOM 1286 CA ASP A 85 1.942 12.549 -7.181 1.00 0.00 C ATOM 1287 C ASP A 85 3.246 13.098 -6.561 1.00 0.00 C ATOM 1288 O ASP A 85 3.295 14.249 -6.112 1.00 0.00 O ATOM 1289 CB ASP A 85 0.872 12.361 -6.073 1.00 0.00 C ATOM 1290 CG ASP A 85 -0.382 11.618 -6.568 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -0.396 10.363 -6.531 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -1.343 12.273 -7.019 1.00 0.00 O ATOM 0 H ASP A 85 1.871 10.454 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 85 1.582 13.265 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.311 11.809 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.580 13.338 -5.688 1.00 0.00 H new ATOM 1297 N GLY A 86 4.293 12.245 -6.535 1.00 0.00 N ATOM 1298 CA GLY A 86 5.582 12.572 -5.931 1.00 0.00 C ATOM 1299 C GLY A 86 5.727 12.024 -4.520 1.00 0.00 C ATOM 1300 O GLY A 86 6.800 12.137 -3.927 1.00 0.00 O ATOM 0 H GLY A 86 4.257 11.308 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.382 12.173 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.704 13.655 -5.910 1.00 0.00 H new ATOM 1304 N ARG A 87 4.646 11.415 -3.983 1.00 0.00 N ATOM 1305 CA ARG A 87 4.624 10.885 -2.604 1.00 0.00 C ATOM 1306 C ARG A 87 5.664 9.769 -2.457 1.00 0.00 C ATOM 1307 O ARG A 87 5.501 8.695 -3.041 1.00 0.00 O ATOM 1308 CB ARG A 87 3.225 10.328 -2.232 1.00 0.00 C ATOM 1309 CG ARG A 87 2.035 11.271 -2.505 1.00 0.00 C ATOM 1310 CD ARG A 87 0.684 10.640 -2.108 1.00 0.00 C ATOM 1311 NE ARG A 87 -0.454 11.320 -2.750 1.00 0.00 N ATOM 1312 CZ ARG A 87 -1.548 10.711 -3.234 1.00 0.00 C ATOM 1313 NH1 ARG A 87 -1.688 9.386 -3.154 1.00 0.00 N ATOM 1314 NH2 ARG A 87 -2.477 11.437 -3.832 1.00 0.00 N ATOM 0 H ARG A 87 3.771 11.278 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 87 4.859 11.708 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.065 9.402 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.226 10.072 -1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.176 12.200 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.015 11.530 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.680 9.586 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.568 10.684 -1.025 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.407 12.335 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.958 8.821 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.525 8.938 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.357 12.446 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.314 10.988 -4.205 1.00 0.00 H new ATOM 1328 N GLU A 88 6.745 10.048 -1.721 1.00 0.00 N ATOM 1329 CA GLU A 88 7.752 9.041 -1.389 1.00 0.00 C ATOM 1330 C GLU A 88 7.197 8.182 -0.231 1.00 0.00 C ATOM 1331 O GLU A 88 7.189 8.605 0.925 1.00 0.00 O ATOM 1332 CB GLU A 88 9.093 9.735 -1.014 1.00 0.00 C ATOM 1333 CG GLU A 88 9.625 10.719 -2.082 1.00 0.00 C ATOM 1334 CD GLU A 88 10.988 11.344 -1.719 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.044 12.186 -0.798 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.010 10.990 -2.338 1.00 0.00 O ATOM 0 H GLU A 88 6.944 10.974 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 88 7.960 8.395 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.959 10.274 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.847 8.968 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.716 10.195 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.896 11.516 -2.226 1.00 0.00 H new ATOM 1343 N VAL A 89 6.718 6.991 -0.585 1.00 0.00 N ATOM 1344 CA VAL A 89 5.931 6.092 0.283 1.00 0.00 C ATOM 1345 C VAL A 89 6.783 4.887 0.715 1.00 0.00 C ATOM 1346 O VAL A 89 7.283 4.142 -0.128 1.00 0.00 O ATOM 1347 CB VAL A 89 4.649 5.602 -0.492 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.789 4.646 0.351 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.814 6.805 -0.975 1.00 0.00 C ATOM 0 H VAL A 89 6.868 6.604 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 89 5.625 6.636 1.177 1.00 0.00 H new ATOM 0 HB VAL A 89 4.993 5.041 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.918 4.336 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.377 3.769 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.462 5.155 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.933 6.446 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.502 7.399 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.416 7.421 -1.643 1.00 0.00 H new ATOM 1359 N ASP A 90 6.917 4.686 2.022 1.00 0.00 N ATOM 1360 CA ASP A 90 7.810 3.682 2.610 1.00 0.00 C ATOM 1361 C ASP A 90 7.041 2.847 3.638 1.00 0.00 C ATOM 1362 O ASP A 90 6.747 3.303 4.746 1.00 0.00 O ATOM 1363 CB ASP A 90 9.036 4.373 3.263 1.00 0.00 C ATOM 1364 CG ASP A 90 9.986 3.382 3.948 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.647 2.606 3.242 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.055 3.347 5.194 1.00 0.00 O ATOM 0 H ASP A 90 6.401 5.224 2.718 1.00 0.00 H new ATOM 0 HA ASP A 90 8.174 3.018 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.584 4.926 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.689 5.101 3.996 1.00 0.00 H new ATOM 1371 N VAL A 91 6.736 1.611 3.255 1.00 0.00 N ATOM 1372 CA VAL A 91 5.927 0.680 4.040 1.00 0.00 C ATOM 1373 C VAL A 91 6.847 -0.370 4.677 1.00 0.00 C ATOM 1374 O VAL A 91 7.460 -1.168 3.973 1.00 0.00 O ATOM 1375 CB VAL A 91 4.843 -0.017 3.129 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.764 -0.725 3.984 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.219 1.000 2.142 1.00 0.00 C ATOM 0 H VAL A 91 7.052 1.218 2.368 1.00 0.00 H new ATOM 0 HA VAL A 91 5.404 1.228 4.824 1.00 0.00 H new ATOM 0 HB VAL A 91 5.339 -0.787 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.031 -1.196 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.235 -1.485 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.265 0.007 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.475 0.498 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.743 1.805 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.000 1.414 1.504 1.00 0.00 H new ATOM 1387 N GLN A 92 6.932 -0.362 6.001 1.00 0.00 N ATOM 1388 CA GLN A 92 7.790 -1.273 6.769 1.00 0.00 C ATOM 1389 C GLN A 92 6.941 -2.416 7.312 1.00 0.00 C ATOM 1390 O GLN A 92 5.907 -2.173 7.912 1.00 0.00 O ATOM 1391 CB GLN A 92 8.448 -0.527 7.960 1.00 0.00 C ATOM 1392 CG GLN A 92 9.355 -1.408 8.850 1.00 0.00 C ATOM 1393 CD GLN A 92 9.831 -0.721 10.141 1.00 0.00 C ATOM 1394 OE1 GLN A 92 9.986 0.497 10.202 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.096 -1.508 11.175 1.00 0.00 N ATOM 0 H GLN A 92 6.402 0.284 6.586 1.00 0.00 H new ATOM 0 HA GLN A 92 8.572 -1.656 6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.039 0.302 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.662 -0.095 8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.814 -2.317 9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.227 -1.713 8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.958 -2.516 11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.437 -1.106 12.048 1.00 0.00 H new ATOM 1404 N PHE A 93 7.371 -3.650 7.073 1.00 0.00 N ATOM 1405 CA PHE A 93 6.736 -4.857 7.612 1.00 0.00 C ATOM 1406 C PHE A 93 7.672 -5.447 8.678 1.00 0.00 C ATOM 1407 O PHE A 93 8.666 -6.101 8.355 1.00 0.00 O ATOM 1408 CB PHE A 93 6.461 -5.876 6.476 1.00 0.00 C ATOM 1409 CG PHE A 93 5.620 -5.313 5.323 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.199 -4.504 4.339 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.255 -5.575 5.226 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.444 -3.985 3.309 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.501 -5.057 4.190 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.096 -4.263 3.235 1.00 0.00 C ATOM 0 H PHE A 93 8.184 -3.848 6.490 1.00 0.00 H new ATOM 0 HA PHE A 93 5.774 -4.614 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.413 -6.228 6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.950 -6.743 6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.255 -4.283 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.778 -6.193 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.909 -3.361 2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.445 -5.275 4.129 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.505 -3.857 2.427 1.00 0.00 H new ATOM 1424 N ALA A 94 7.389 -5.151 9.944 1.00 0.00 N ATOM 1425 CA ALA A 94 8.235 -5.560 11.074 1.00 0.00 C ATOM 1426 C ALA A 94 7.634 -6.787 11.758 1.00 0.00 C ATOM 1427 O ALA A 94 6.430 -6.842 11.979 1.00 0.00 O ATOM 1428 CB ALA A 94 8.389 -4.398 12.060 1.00 0.00 C ATOM 0 H ALA A 94 6.564 -4.619 10.221 1.00 0.00 H new ATOM 0 HA ALA A 94 9.226 -5.827 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.017 -4.710 12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.852 -3.550 11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.408 -4.106 12.434 1.00 0.00 H new ATOM 1434 N SER A 95 8.469 -7.783 12.059 1.00 0.00 N ATOM 1435 CA SER A 95 8.038 -8.985 12.774 1.00 0.00 C ATOM 1436 C SER A 95 8.001 -8.721 14.289 1.00 0.00 C ATOM 1437 O SER A 95 8.971 -8.217 14.870 1.00 0.00 O ATOM 1438 CB SER A 95 8.960 -10.165 12.420 1.00 0.00 C ATOM 1439 OG SER A 95 8.893 -10.456 11.029 1.00 0.00 O ATOM 0 H SER A 95 9.459 -7.779 11.815 1.00 0.00 H new ATOM 0 HA SER A 95 7.027 -9.248 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.987 -9.927 12.698 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.670 -11.045 12.995 1.00 0.00 H new ATOM 0 HG SER A 95 9.487 -11.208 10.823 1.00 0.00 H new ATOM 1445 N GLU A 96 6.867 -9.067 14.909 1.00 0.00 N ATOM 1446 CA GLU A 96 6.606 -8.848 16.338 1.00 0.00 C ATOM 1447 C GLU A 96 5.895 -10.081 16.920 1.00 0.00 C ATOM 1448 O GLU A 96 5.199 -10.787 16.181 1.00 0.00 O ATOM 1449 CB GLU A 96 5.741 -7.574 16.547 1.00 0.00 C ATOM 1450 CG GLU A 96 4.423 -7.553 15.754 1.00 0.00 C ATOM 1451 CD GLU A 96 3.449 -6.448 16.160 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.891 -5.308 16.357 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.237 -6.716 16.319 1.00 0.00 O ATOM 0 H GLU A 96 6.090 -9.515 14.423 1.00 0.00 H new ATOM 0 HA GLU A 96 7.554 -8.700 16.856 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.512 -7.477 17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.331 -6.701 16.267 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.654 -7.443 14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.928 -8.517 15.874 1.00 0.00 H new ATOM 1460 N PRO A 97 6.071 -10.387 18.243 1.00 0.00 N ATOM 1461 CA PRO A 97 5.332 -11.483 18.925 1.00 0.00 C ATOM 1462 C PRO A 97 3.786 -11.418 18.771 1.00 0.00 C ATOM 1463 O PRO A 97 3.099 -12.428 18.960 1.00 0.00 O ATOM 1464 CB PRO A 97 5.752 -11.313 20.402 1.00 0.00 C ATOM 1465 CG PRO A 97 7.111 -10.696 20.336 1.00 0.00 C ATOM 1466 CD PRO A 97 7.063 -9.753 19.158 1.00 0.00 C ATOM 0 HA PRO A 97 5.578 -12.452 18.491 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.053 -10.675 20.943 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.776 -12.271 20.921 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.346 -10.163 21.257 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.882 -11.455 20.201 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.750 -8.753 19.457 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.039 -9.653 18.684 1.00 0.00 H new ATOM 1474 N GLY A 98 3.253 -10.216 18.461 1.00 0.00 N ATOM 1475 CA GLY A 98 1.810 -10.011 18.250 1.00 0.00 C ATOM 1476 C GLY A 98 1.345 -10.234 16.812 1.00 0.00 C ATOM 1477 O GLY A 98 0.149 -10.408 16.579 1.00 0.00 O ATOM 0 H GLY A 98 3.810 -9.368 18.351 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.260 -10.686 18.906 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.552 -8.995 18.549 1.00 0.00 H new ATOM 1481 N GLY A 99 2.273 -10.206 15.849 1.00 0.00 N ATOM 1482 CA GLY A 99 1.941 -10.375 14.430 1.00 0.00 C ATOM 1483 C GLY A 99 2.940 -9.661 13.528 1.00 0.00 C ATOM 1484 O GLY A 99 4.119 -10.018 13.504 1.00 0.00 O ATOM 0 H GLY A 99 3.267 -10.067 16.029 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.923 -11.437 14.184 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.940 -9.988 14.242 1.00 0.00 H new ATOM 1488 N THR A 100 2.482 -8.600 12.842 1.00 0.00 N ATOM 1489 CA THR A 100 3.298 -7.801 11.912 1.00 0.00 C ATOM 1490 C THR A 100 2.985 -6.314 12.115 1.00 0.00 C ATOM 1491 O THR A 100 1.848 -5.876 11.897 1.00 0.00 O ATOM 1492 CB THR A 100 3.039 -8.178 10.411 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.206 -9.584 10.230 1.00 0.00 O ATOM 1494 CG2 THR A 100 3.992 -7.434 9.443 1.00 0.00 C ATOM 0 H THR A 100 1.520 -8.269 12.919 1.00 0.00 H new ATOM 0 HA THR A 100 4.345 -8.013 12.130 1.00 0.00 H new ATOM 0 HB THR A 100 2.018 -7.877 10.178 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.507 -10.063 10.722 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.772 -7.730 8.417 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.851 -6.358 9.549 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.025 -7.690 9.681 1.00 0.00 H new ATOM 1502 N TRP A 101 3.995 -5.552 12.544 1.00 0.00 N ATOM 1503 CA TRP A 101 3.910 -4.103 12.655 1.00 0.00 C ATOM 1504 C TRP A 101 4.182 -3.470 11.284 1.00 0.00 C ATOM 1505 O TRP A 101 5.337 -3.262 10.889 1.00 0.00 O ATOM 1506 CB TRP A 101 4.915 -3.595 13.707 1.00 0.00 C ATOM 1507 CG TRP A 101 4.854 -2.115 13.976 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.737 -1.364 14.193 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.966 -1.215 14.074 1.00 0.00 C ATOM 1510 NE1 TRP A 101 4.085 -0.065 14.417 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.445 0.053 14.353 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.351 -1.365 13.954 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.250 1.167 14.515 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 8.154 -0.254 14.114 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.601 0.997 14.391 1.00 0.00 C ATOM 0 H TRP A 101 4.899 -5.931 12.825 1.00 0.00 H new ATOM 0 HA TRP A 101 2.909 -3.818 12.979 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.741 -4.127 14.642 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.923 -3.849 13.379 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.725 -1.742 14.188 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.434 0.698 14.603 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.784 -2.331 13.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.826 2.136 14.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.226 -0.354 14.024 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.254 1.849 14.510 1.00 0.00 H new ATOM 1526 N VAL A 102 3.102 -3.197 10.563 1.00 0.00 N ATOM 1527 CA VAL A 102 3.148 -2.525 9.275 1.00 0.00 C ATOM 1528 C VAL A 102 3.112 -1.015 9.519 1.00 0.00 C ATOM 1529 O VAL A 102 2.046 -0.441 9.744 1.00 0.00 O ATOM 1530 CB VAL A 102 1.956 -2.970 8.345 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.052 -2.327 6.937 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.883 -4.509 8.252 1.00 0.00 C ATOM 0 H VAL A 102 2.158 -3.440 10.862 1.00 0.00 H new ATOM 0 HA VAL A 102 4.068 -2.800 8.759 1.00 0.00 H new ATOM 0 HB VAL A 102 1.032 -2.610 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.212 -2.659 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.026 -1.241 7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.986 -2.628 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.054 -4.796 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.815 -4.893 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.729 -4.927 9.247 1.00 0.00 H new ATOM 1542 N GLN A 103 4.298 -0.394 9.494 1.00 0.00 N ATOM 1543 CA GLN A 103 4.454 1.041 9.707 1.00 0.00 C ATOM 1544 C GLN A 103 4.634 1.702 8.345 1.00 0.00 C ATOM 1545 O GLN A 103 5.695 1.604 7.732 1.00 0.00 O ATOM 1546 CB GLN A 103 5.687 1.342 10.606 1.00 0.00 C ATOM 1547 CG GLN A 103 5.879 2.845 10.919 1.00 0.00 C ATOM 1548 CD GLN A 103 7.165 3.191 11.684 1.00 0.00 C ATOM 1549 OE1 GLN A 103 8.200 2.536 11.547 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.100 4.233 12.502 1.00 0.00 N ATOM 0 H GLN A 103 5.178 -0.880 9.324 1.00 0.00 H new ATOM 0 HA GLN A 103 3.572 1.432 10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.584 0.795 11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.584 0.965 10.115 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.872 3.400 9.981 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.024 3.191 11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.229 4.756 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.921 4.512 13.039 1.00 0.00 H new ATOM 1559 N GLU A 104 3.588 2.368 7.880 1.00 0.00 N ATOM 1560 CA GLU A 104 3.587 3.066 6.597 1.00 0.00 C ATOM 1561 C GLU A 104 4.065 4.515 6.857 1.00 0.00 C ATOM 1562 O GLU A 104 3.667 5.122 7.839 1.00 0.00 O ATOM 1563 CB GLU A 104 2.142 3.010 5.986 1.00 0.00 C ATOM 1564 CG GLU A 104 2.051 3.061 4.446 1.00 0.00 C ATOM 1565 CD GLU A 104 2.706 4.303 3.819 1.00 0.00 C ATOM 1566 OE1 GLU A 104 2.035 5.346 3.694 1.00 0.00 O ATOM 1567 OE2 GLU A 104 3.914 4.239 3.484 1.00 0.00 O ATOM 0 H GLU A 104 2.705 2.442 8.386 1.00 0.00 H new ATOM 0 HA GLU A 104 4.258 2.602 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.661 2.093 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.566 3.842 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.523 2.168 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.001 3.030 4.154 1.00 0.00 H new ATOM 1574 N THR A 105 4.944 5.043 6.006 1.00 0.00 N ATOM 1575 CA THR A 105 5.479 6.404 6.113 1.00 0.00 C ATOM 1576 C THR A 105 5.536 7.008 4.713 1.00 0.00 C ATOM 1577 O THR A 105 6.387 6.622 3.921 1.00 0.00 O ATOM 1578 CB THR A 105 6.908 6.392 6.761 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.865 5.666 7.991 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.450 7.805 7.019 1.00 0.00 C ATOM 0 H THR A 105 5.313 4.528 5.206 1.00 0.00 H new ATOM 0 HA THR A 105 4.832 7.003 6.754 1.00 0.00 H new ATOM 0 HB THR A 105 7.583 5.910 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.757 5.656 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.441 7.738 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.515 8.348 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.780 8.334 7.697 1.00 0.00 H new ATOM 1588 N PHE A 106 4.663 7.970 4.410 1.00 0.00 N ATOM 1589 CA PHE A 106 4.548 8.554 3.059 1.00 0.00 C ATOM 1590 C PHE A 106 4.934 10.034 3.113 1.00 0.00 C ATOM 1591 O PHE A 106 4.787 10.669 4.156 1.00 0.00 O ATOM 1592 CB PHE A 106 3.106 8.392 2.497 1.00 0.00 C ATOM 1593 CG PHE A 106 2.007 9.116 3.300 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.459 8.540 4.445 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.537 10.377 2.912 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.483 9.190 5.171 1.00 0.00 C ATOM 1597 CE2 PHE A 106 0.561 11.027 3.641 1.00 0.00 C ATOM 1598 CZ PHE A 106 0.032 10.434 4.770 1.00 0.00 C ATOM 0 H PHE A 106 4.014 8.370 5.088 1.00 0.00 H new ATOM 0 HA PHE A 106 5.225 8.023 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.089 8.762 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.865 7.330 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.804 7.569 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.944 10.848 2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.070 8.726 6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.211 12.000 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.733 10.941 5.339 1.00 0.00 H new ATOM 1608 N ASP A 107 5.430 10.591 1.996 1.00 0.00 N ATOM 1609 CA ASP A 107 5.666 12.043 1.894 1.00 0.00 C ATOM 1610 C ASP A 107 4.338 12.733 1.574 1.00 0.00 C ATOM 1611 O ASP A 107 3.599 12.288 0.677 1.00 0.00 O ATOM 1612 CB ASP A 107 6.732 12.386 0.821 1.00 0.00 C ATOM 1613 CG ASP A 107 7.086 13.893 0.792 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.915 14.338 1.612 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.516 14.645 -0.028 1.00 0.00 O ATOM 0 H ASP A 107 5.674 10.065 1.157 1.00 0.00 H new ATOM 0 HA ASP A 107 6.056 12.401 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.636 11.808 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.365 12.084 -0.160 1.00 0.00 H new ATOM 1620 N ALA A 108 4.040 13.808 2.310 1.00 0.00 N ATOM 1621 CA ALA A 108 2.785 14.536 2.175 1.00 0.00 C ATOM 1622 C ALA A 108 2.792 15.359 0.880 1.00 0.00 C ATOM 1623 O ALA A 108 3.716 16.127 0.631 1.00 0.00 O ATOM 1624 CB ALA A 108 2.543 15.435 3.394 1.00 0.00 C ATOM 0 H ALA A 108 4.667 14.195 3.016 1.00 0.00 H new ATOM 0 HA ALA A 108 1.967 13.817 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.601 15.969 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.499 14.823 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.358 16.154 3.484 1.00 0.00 H new ATOM 1630 N GLU A 109 1.763 15.162 0.063 1.00 0.00 N ATOM 1631 CA GLU A 109 1.603 15.861 -1.205 1.00 0.00 C ATOM 1632 C GLU A 109 1.251 17.336 -0.938 1.00 0.00 C ATOM 1633 O GLU A 109 0.261 17.618 -0.256 1.00 0.00 O ATOM 1634 CB GLU A 109 0.503 15.177 -2.049 1.00 0.00 C ATOM 1635 CG GLU A 109 0.372 15.725 -3.484 1.00 0.00 C ATOM 1636 CD GLU A 109 -0.821 15.154 -4.265 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -1.319 14.063 -3.932 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -1.277 15.810 -5.210 1.00 0.00 O ATOM 0 H GLU A 109 1.009 14.505 0.265 1.00 0.00 H new ATOM 0 HA GLU A 109 2.537 15.821 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.711 14.108 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.454 15.292 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.278 16.810 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.289 15.506 -4.031 1.00 0.00 H new ATOM 1688 N THR A 113 -4.284 18.556 1.763 1.00 0.00 N ATOM 1689 CA THR A 113 -4.099 18.818 3.199 1.00 0.00 C ATOM 1690 C THR A 113 -3.520 17.553 3.888 1.00 0.00 C ATOM 1691 O THR A 113 -4.129 16.481 3.779 1.00 0.00 O ATOM 1692 CB THR A 113 -5.440 19.259 3.887 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.444 18.247 3.750 1.00 0.00 O ATOM 1694 CG2 THR A 113 -5.980 20.565 3.300 1.00 0.00 C ATOM 0 HA THR A 113 -3.396 19.644 3.308 1.00 0.00 H new ATOM 0 HB THR A 113 -5.210 19.413 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.269 18.544 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.908 20.834 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.247 21.359 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.170 20.434 2.235 1.00 0.00 H new ATOM 1702 N PRO A 114 -2.318 17.661 4.564 1.00 0.00 N ATOM 1703 CA PRO A 114 -1.571 16.503 5.147 1.00 0.00 C ATOM 1704 C PRO A 114 -2.427 15.509 5.977 1.00 0.00 C ATOM 1705 O PRO A 114 -2.311 14.289 5.801 1.00 0.00 O ATOM 1706 CB PRO A 114 -0.502 17.205 6.027 1.00 0.00 C ATOM 1707 CG PRO A 114 -0.225 18.486 5.317 1.00 0.00 C ATOM 1708 CD PRO A 114 -1.568 18.938 4.793 1.00 0.00 C ATOM 0 HA PRO A 114 -1.173 15.858 4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.872 17.382 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.399 16.598 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 114 0.206 19.226 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 114 0.488 18.342 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.081 19.579 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.464 19.511 3.871 1.00 0.00 H new ATOM 1716 N ALA A 115 -3.285 16.031 6.870 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.150 15.198 7.747 1.00 0.00 C ATOM 1718 C ALA A 115 -5.182 14.382 6.934 1.00 0.00 C ATOM 1719 O ALA A 115 -5.452 13.220 7.257 1.00 0.00 O ATOM 1720 CB ALA A 115 -4.856 16.069 8.805 1.00 0.00 C ATOM 0 H ALA A 115 -3.404 17.034 7.010 1.00 0.00 H new ATOM 0 HA ALA A 115 -3.502 14.486 8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.483 15.439 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.109 16.570 9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.475 16.815 8.307 1.00 0.00 H new ATOM 1726 N GLN A 116 -5.734 14.991 5.871 1.00 0.00 N ATOM 1727 CA GLN A 116 -6.717 14.322 4.985 1.00 0.00 C ATOM 1728 C GLN A 116 -6.066 13.173 4.199 1.00 0.00 C ATOM 1729 O GLN A 116 -6.708 12.149 3.922 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.360 15.345 4.015 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.399 14.790 3.007 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.801 14.463 3.573 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.796 14.579 2.859 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.910 14.046 4.831 1.00 0.00 N ATOM 0 H GLN A 116 -5.518 15.950 5.599 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.500 13.898 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.843 16.120 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.562 15.827 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.516 15.516 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.991 13.883 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.077 13.954 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.827 13.818 5.215 1.00 0.00 H new ATOM 1743 N GLN A 117 -4.783 13.357 3.857 1.00 0.00 N ATOM 1744 CA GLN A 117 -3.981 12.314 3.206 1.00 0.00 C ATOM 1745 C GLN A 117 -3.806 11.135 4.162 1.00 0.00 C ATOM 1746 O GLN A 117 -4.019 9.998 3.780 1.00 0.00 O ATOM 1747 CB GLN A 117 -2.596 12.850 2.817 1.00 0.00 C ATOM 1748 CG GLN A 117 -2.607 14.136 1.981 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.206 14.606 1.638 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -0.312 13.789 1.442 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -0.992 15.913 1.604 1.00 0.00 N ATOM 0 H GLN A 117 -4.276 14.226 4.023 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.502 11.995 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.025 13.032 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.068 12.077 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.167 13.965 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.128 14.920 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.762 16.560 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.057 16.272 1.409 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.442 11.455 5.419 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.258 10.473 6.507 1.00 0.00 C ATOM 1762 C GLN A 118 -4.530 9.622 6.706 1.00 0.00 C ATOM 1763 O GLN A 118 -4.448 8.427 6.965 1.00 0.00 O ATOM 1764 CB GLN A 118 -2.889 11.209 7.826 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.681 10.292 9.044 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.442 11.057 10.343 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.314 11.376 10.688 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.507 11.351 11.073 1.00 0.00 N ATOM 0 H GLN A 118 -3.265 12.416 5.712 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.444 9.802 6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.977 11.783 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.678 11.924 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.556 9.653 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.831 9.636 8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.435 11.070 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.399 11.858 11.951 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.700 10.267 6.558 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.016 9.604 6.659 1.00 0.00 C ATOM 1779 C ALA A 119 -7.254 8.655 5.472 1.00 0.00 C ATOM 1780 O ALA A 119 -7.791 7.556 5.642 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.132 10.659 6.746 1.00 0.00 C ATOM 0 H ALA A 119 -5.762 11.266 6.364 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.028 9.003 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.099 10.161 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.976 11.282 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.113 11.283 5.853 1.00 0.00 H new ATOM 1787 N GLY A 120 -6.847 9.107 4.273 1.00 0.00 N ATOM 1788 CA GLY A 120 -6.950 8.303 3.050 1.00 0.00 C ATOM 1789 C GLY A 120 -6.070 7.058 3.103 1.00 0.00 C ATOM 1790 O GLY A 120 -6.515 5.955 2.793 1.00 0.00 O ATOM 0 H GLY A 120 -6.441 10.032 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -7.988 8.006 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.664 8.912 2.192 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.825 7.249 3.548 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.830 6.176 3.673 1.00 0.00 C ATOM 1796 C TRP A 121 -4.195 5.205 4.794 1.00 0.00 C ATOM 1797 O TRP A 121 -3.976 4.010 4.653 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.421 6.769 3.908 1.00 0.00 C ATOM 1799 CG TRP A 121 -1.781 7.322 2.661 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -1.778 8.612 2.218 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.052 6.568 1.689 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.088 8.707 1.045 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -0.637 7.467 0.697 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.712 5.215 1.569 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 0.098 7.067 -0.400 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.023 4.815 0.472 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.421 5.740 -0.500 1.00 0.00 C ATOM 0 H TRP A 121 -4.474 8.163 3.835 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.824 5.617 2.737 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.490 7.562 4.653 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.776 5.996 4.325 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.254 9.440 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.934 9.565 0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.018 4.500 2.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 0.408 7.776 -1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.295 3.775 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.996 5.399 -1.348 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.737 5.728 5.902 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.198 4.899 7.035 1.00 0.00 C ATOM 1820 C GLN A 122 -6.469 4.124 6.642 1.00 0.00 C ATOM 1821 O GLN A 122 -6.732 3.055 7.177 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.450 5.769 8.299 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.761 4.975 9.590 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.635 4.026 10.025 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.455 4.289 9.796 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.985 2.916 10.666 1.00 0.00 N ATOM 0 H GLN A 122 -4.870 6.730 6.043 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.413 4.182 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.571 6.389 8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.282 6.444 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.962 5.679 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.672 4.396 9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.970 2.719 10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.269 2.261 10.980 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.250 4.696 5.711 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.404 4.015 5.121 1.00 0.00 C ATOM 1837 C GLY A 123 -7.986 2.821 4.268 1.00 0.00 C ATOM 1838 O GLY A 123 -8.578 1.744 4.351 1.00 0.00 O ATOM 0 H GLY A 123 -7.097 5.638 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.071 3.678 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.967 4.719 4.508 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.943 3.026 3.446 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.386 1.985 2.553 1.00 0.00 C ATOM 1844 C ILE A 124 -5.599 0.923 3.353 1.00 0.00 C ATOM 1845 O ILE A 124 -5.623 -0.259 3.006 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.481 2.645 1.440 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.337 3.630 0.578 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.797 1.582 0.539 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.588 4.347 -0.531 1.00 0.00 C ATOM 0 H ILE A 124 -6.458 3.921 3.379 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.216 1.475 2.064 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.686 3.198 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.163 3.074 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.775 4.378 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.185 2.081 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.166 0.937 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.559 0.980 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.273 5.004 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.779 4.938 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.173 3.614 -1.223 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.945 1.357 4.440 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.164 0.472 5.333 1.00 0.00 C ATOM 1863 C LEU A 125 -5.118 -0.370 6.195 1.00 0.00 C ATOM 1864 O LEU A 125 -4.832 -1.528 6.482 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.201 1.304 6.230 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.248 0.492 7.172 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.301 -0.441 6.366 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.450 1.437 8.108 1.00 0.00 C ATOM 0 H LEU A 125 -4.939 2.335 4.730 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.558 -0.197 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.588 1.931 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.801 1.973 6.846 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.872 -0.147 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.656 -0.987 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.894 -1.148 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.688 0.157 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.797 0.846 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.848 2.120 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.143 2.010 8.724 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.243 0.246 6.608 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.362 -0.454 7.282 1.00 0.00 C ATOM 1882 C ASP A 126 -7.999 -1.449 6.318 1.00 0.00 C ATOM 1883 O ASP A 126 -8.333 -2.547 6.709 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.449 0.545 7.792 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.749 -0.140 8.285 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.776 -0.665 9.417 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.740 -0.177 7.525 1.00 0.00 O ATOM 0 H ASP A 126 -6.405 1.246 6.485 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.954 -0.977 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -8.031 1.137 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.697 1.238 6.988 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.154 -1.040 5.052 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.802 -1.865 4.010 1.00 0.00 C ATOM 1894 C ASN A 127 -7.915 -3.071 3.661 1.00 0.00 C ATOM 1895 O ASN A 127 -8.411 -4.151 3.335 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.080 -0.989 2.756 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.950 -1.662 1.695 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.812 -2.477 2.005 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -9.739 -1.312 0.433 1.00 0.00 N ATOM 0 H ASN A 127 -7.836 -0.131 4.716 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.752 -2.248 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.565 -0.066 3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.128 -0.710 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -10.302 -1.724 -0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.014 -0.631 0.207 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.595 -2.852 3.760 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.575 -3.888 3.578 1.00 0.00 C ATOM 1908 C PHE A 128 -5.585 -4.872 4.761 1.00 0.00 C ATOM 1909 O PHE A 128 -5.648 -6.074 4.560 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.167 -3.241 3.427 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.014 -4.240 3.538 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.859 -5.249 2.591 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.113 -4.189 4.602 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.849 -6.168 2.703 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.096 -5.112 4.707 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.964 -6.101 3.756 1.00 0.00 C ATOM 0 H PHE A 128 -6.203 -1.934 3.972 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.806 -4.441 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.109 -2.740 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.046 -2.474 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.544 -5.308 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.214 -3.418 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.747 -6.948 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.403 -5.061 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.166 -6.824 3.837 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.487 -4.329 5.980 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.436 -5.110 7.237 1.00 0.00 C ATOM 1928 C LYS A 129 -6.686 -5.988 7.376 1.00 0.00 C ATOM 1929 O LYS A 129 -6.598 -7.177 7.662 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.304 -4.138 8.442 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.418 -4.800 9.832 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.205 -3.801 10.991 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.526 -4.429 12.351 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.957 -4.837 12.445 1.00 0.00 N ATOM 0 H LYS A 129 -5.440 -3.321 6.131 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.568 -5.769 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.342 -3.631 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.075 -3.372 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.401 -5.260 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.683 -5.601 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.172 -3.454 10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.836 -2.926 10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.888 -5.299 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.298 -3.717 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.154 -5.195 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.565 -4.016 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -7.151 -5.585 11.749 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.830 -5.362 7.111 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.154 -6.000 7.121 1.00 0.00 C ATOM 1950 C ARG A 130 -9.267 -7.054 6.009 1.00 0.00 C ATOM 1951 O ARG A 130 -9.935 -8.065 6.201 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.235 -4.895 6.999 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.677 -5.340 6.676 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.670 -4.144 6.704 1.00 0.00 C ATOM 1955 NE ARG A 130 -12.056 -2.876 6.215 1.00 0.00 N ATOM 1956 CZ ARG A 130 -12.578 -2.032 5.312 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -13.760 -2.276 4.755 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -11.917 -0.915 5.008 1.00 0.00 N ATOM 0 H ARG A 130 -7.868 -4.370 6.876 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.305 -6.534 8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.256 -4.341 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.917 -4.198 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.701 -5.809 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.995 -6.093 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.538 -4.383 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.030 -4.000 7.723 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.148 -2.625 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.282 -3.113 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.145 -1.626 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.026 -0.711 5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.302 -0.265 4.323 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.593 -6.825 4.860 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.484 -7.841 3.789 1.00 0.00 C ATOM 1974 C TYR A 131 -7.701 -9.070 4.283 1.00 0.00 C ATOM 1975 O TYR A 131 -8.100 -10.196 4.011 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.821 -7.262 2.502 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.437 -8.343 1.463 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.415 -9.027 0.734 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.101 -8.721 1.260 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.080 -10.028 -0.153 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.770 -9.732 0.380 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.761 -10.381 -0.327 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.438 -11.402 -1.199 1.00 0.00 O ATOM 0 H TYR A 131 -8.117 -5.947 4.651 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.498 -8.146 3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.506 -6.552 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.927 -6.706 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.454 -8.766 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.318 -8.212 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.853 -10.535 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.736 -10.014 0.245 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.473 -11.393 -1.370 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.579 -8.842 4.979 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.744 -9.930 5.530 1.00 0.00 C ATOM 1995 C VAL A 132 -6.571 -10.773 6.529 1.00 0.00 C ATOM 1996 O VAL A 132 -6.512 -11.995 6.508 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.434 -9.374 6.217 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.575 -10.507 6.827 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.596 -8.525 5.228 1.00 0.00 C ATOM 0 H VAL A 132 -6.222 -7.907 5.178 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.428 -10.565 4.702 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.756 -8.728 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.685 -10.080 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.156 -11.038 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.279 -11.202 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.702 -8.157 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.306 -9.140 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.190 -7.680 4.880 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.387 -10.084 7.349 1.00 0.00 N ATOM 2010 CA GLU A 133 -8.267 -10.714 8.356 1.00 0.00 C ATOM 2011 C GLU A 133 -9.495 -11.401 7.699 1.00 0.00 C ATOM 2012 O GLU A 133 -9.991 -12.413 8.206 1.00 0.00 O ATOM 2013 CB GLU A 133 -8.717 -9.632 9.380 1.00 0.00 C ATOM 2014 CG GLU A 133 -7.550 -8.974 10.143 1.00 0.00 C ATOM 2015 CD GLU A 133 -7.977 -7.779 11.018 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -8.218 -6.681 10.473 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -8.060 -7.921 12.259 1.00 0.00 O ATOM 0 H GLU A 133 -7.456 -9.066 7.332 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.709 -11.496 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.277 -8.859 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -9.399 -10.087 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.072 -9.723 10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -6.802 -8.638 9.425 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.951 -10.866 6.549 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.176 -11.342 5.849 1.00 0.00 C ATOM 2026 C ALA A 134 -10.854 -12.609 5.052 1.00 0.00 C ATOM 2027 O ALA A 134 -11.529 -13.636 5.165 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.716 -10.251 4.906 1.00 0.00 C ATOM 0 H ALA A 134 -9.486 -10.092 6.074 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.941 -11.567 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.611 -10.616 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.962 -9.360 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.957 -10.004 4.163 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.792 -12.497 4.247 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.192 -13.614 3.492 1.00 0.00 C ATOM 2036 C ALA A 135 -8.592 -14.662 4.444 1.00 0.00 C ATOM 2037 O ALA A 135 -8.356 -15.814 4.057 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.117 -13.073 2.525 1.00 0.00 C ATOM 0 H ALA A 135 -9.312 -11.610 4.096 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.974 -14.104 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.677 -13.901 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.575 -12.371 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.339 -12.564 3.094 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.355 -14.241 5.695 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.784 -15.097 6.717 1.00 0.00 C ATOM 2046 C GLY A 136 -6.281 -15.132 6.614 1.00 0.00 C ATOM 2047 O GLY A 136 -5.595 -14.490 7.405 1.00 0.00 O ATOM 0 H GLY A 136 -8.558 -13.294 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -8.076 -14.737 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.183 -16.106 6.615 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.775 -15.889 5.615 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.327 -16.089 5.370 1.00 0.00 C ATOM 2053 C LEU A 137 -3.648 -16.762 6.589 1.00 0.00 C ATOM 2054 O LEU A 137 -2.422 -16.706 6.753 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.635 -14.740 4.984 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.273 -13.953 3.793 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.476 -12.667 3.486 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.431 -14.847 2.535 1.00 0.00 C ATOM 0 H LEU A 137 -6.367 -16.384 4.948 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.211 -16.765 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.634 -14.093 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.593 -14.947 4.739 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.276 -13.652 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.942 -12.140 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.471 -12.023 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.451 -12.928 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.878 -14.265 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.452 -15.210 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.074 -15.695 2.770 1.00 0.00 H new