USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=23 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 25 CYS SG : rot -96:sc= -0.568! USER MOD Set 1.2: A 131 TYR OH : rot 100:sc= 1.68! USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.00716 USER MOD Set 2.2: A 80 SER OG : rot 26:sc= 0.128 USER MOD Set 3.1: A 41 SER OG : rot 59:sc= 0.0289 USER MOD Set 3.2: A 53 HIS : no HE2:sc= -0.846 X(o=-0.82,f=-1.1) USER MOD Set 4.1: A 39 THR OG1 : rot -118:sc= 0.484 USER MOD Set 4.2: A 54 HIS : no HD1:sc= -0.213 K(o=0.27,f=-3.9) USER MOD Set 5.1: A 30 ASN : amide:sc= -4.19! C(o=-4!,f=-2.2!) USER MOD Set 5.2: A 38 THR OG1 : rot 126:sc= 0.231 USER MOD Set 6.1: A 4 SER OG : rot 180:sc= 0.281 USER MOD Set 6.2: A 105 THR OG1 : rot -91:sc= 0.294 USER MOD Single : A 1 MET CE :methyl 142:sc= 0 (180deg=-0.457) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.898 K(o=-0.9,f=-1.5) USER MOD Single : A 21 ASN : amide:sc= -1.08 K(o=-1.1,f=0.13) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.002 USER MOD Single : A 37 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -137:sc= -0.899 (180deg=-2.11!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -31:sc= 0.223 USER MOD Single : A 67 THR OG1 : rot -79:sc= 0.289 USER MOD Single : A 69 THR OG1 : rot 150:sc= -0.156 USER MOD Single : A 77 THR OG1 : rot 92:sc= -0.0275 USER MOD Single : A 83 MET CE :methyl 180:sc= -1.34 (180deg=-1.34) USER MOD Single : A 92 GLN : amide:sc= 0.153 X(o=0.15,f=-0.23) USER MOD Single : A 95 SER OG : rot 36:sc= 0.13 USER MOD Single : A 100 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot -30:sc= 0.218 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.138 K(o=-0.14,f=-5.8!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 122 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.36) USER MOD Single : A 127 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.17) USER MOD Single : A 129 LYS NZ :NH3+ 155:sc= 0.977 (180deg=0.541) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.678 17.817 3.089 1.00 0.00 N ATOM 2 CA MET A 1 5.680 17.318 4.066 1.00 0.00 C ATOM 3 C MET A 1 5.436 15.816 3.856 1.00 0.00 C ATOM 4 O MET A 1 5.014 15.404 2.779 1.00 0.00 O ATOM 5 CB MET A 1 4.347 18.111 3.952 1.00 0.00 C ATOM 6 CG MET A 1 3.244 17.608 4.895 1.00 0.00 C ATOM 7 SD MET A 1 3.762 17.613 6.628 1.00 0.00 S ATOM 8 CE MET A 1 2.486 16.615 7.402 1.00 0.00 C ATOM 0 H1 MET A 1 6.834 18.834 3.241 1.00 0.00 H new ATOM 0 H2 MET A 1 7.575 17.306 3.217 1.00 0.00 H new ATOM 0 H3 MET A 1 6.326 17.662 2.123 1.00 0.00 H new ATOM 0 HA MET A 1 6.076 17.470 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.541 19.162 4.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.988 18.054 2.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.359 18.234 4.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.957 16.596 4.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.932 15.991 8.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.736 17.267 7.849 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.015 15.981 6.651 1.00 0.00 H new ATOM 20 N LYS A 2 5.734 15.009 4.892 1.00 0.00 N ATOM 21 CA LYS A 2 5.437 13.568 4.926 1.00 0.00 C ATOM 22 C LYS A 2 4.554 13.251 6.139 1.00 0.00 C ATOM 23 O LYS A 2 4.515 14.008 7.116 1.00 0.00 O ATOM 24 CB LYS A 2 6.731 12.710 4.967 1.00 0.00 C ATOM 25 CG LYS A 2 7.602 12.876 6.239 1.00 0.00 C ATOM 26 CD LYS A 2 8.821 11.923 6.252 1.00 0.00 C ATOM 27 CE LYS A 2 9.632 11.999 7.561 1.00 0.00 C ATOM 28 NZ LYS A 2 10.252 13.330 7.784 1.00 0.00 N ATOM 0 H LYS A 2 6.193 15.346 5.738 1.00 0.00 H new ATOM 0 HA LYS A 2 4.907 13.314 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.453 11.660 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.339 12.958 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.950 13.907 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.990 12.689 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.477 10.900 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.473 12.165 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.978 11.764 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.413 11.239 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.783 13.320 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.899 13.548 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.509 14.056 7.831 1.00 0.00 H new ATOM 42 N ILE A 3 3.860 12.115 6.058 1.00 0.00 N ATOM 43 CA ILE A 3 2.922 11.642 7.084 1.00 0.00 C ATOM 44 C ILE A 3 3.230 10.168 7.388 1.00 0.00 C ATOM 45 O ILE A 3 3.478 9.390 6.464 1.00 0.00 O ATOM 46 CB ILE A 3 1.426 11.769 6.587 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.052 13.247 6.231 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.424 11.170 7.608 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.336 13.423 5.632 1.00 0.00 C ATOM 0 H ILE A 3 3.934 11.483 5.261 1.00 0.00 H new ATOM 0 HA ILE A 3 3.039 12.253 7.979 1.00 0.00 H new ATOM 0 HB ILE A 3 1.351 11.182 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.123 13.853 7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.789 13.635 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.592 11.278 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.645 10.113 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.513 11.697 8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.508 14.478 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.410 12.848 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.085 13.070 6.340 1.00 0.00 H new ATOM 61 N SER A 4 3.203 9.792 8.676 1.00 0.00 N ATOM 62 CA SER A 4 3.401 8.401 9.115 1.00 0.00 C ATOM 63 C SER A 4 2.096 7.836 9.704 1.00 0.00 C ATOM 64 O SER A 4 1.503 8.427 10.613 1.00 0.00 O ATOM 65 CB SER A 4 4.538 8.334 10.153 1.00 0.00 C ATOM 66 OG SER A 4 5.747 8.816 9.591 1.00 0.00 O ATOM 0 H SER A 4 3.043 10.444 9.444 1.00 0.00 H new ATOM 0 HA SER A 4 3.679 7.794 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.275 8.926 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.671 7.306 10.491 1.00 0.00 H new ATOM 0 HG SER A 4 6.461 8.769 10.261 1.00 0.00 H new ATOM 72 N ILE A 5 1.642 6.712 9.132 1.00 0.00 N ATOM 73 CA ILE A 5 0.529 5.892 9.646 1.00 0.00 C ATOM 74 C ILE A 5 1.061 4.492 10.024 1.00 0.00 C ATOM 75 O ILE A 5 2.222 4.173 9.740 1.00 0.00 O ATOM 76 CB ILE A 5 -0.628 5.765 8.581 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.089 5.178 7.243 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.309 7.130 8.342 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.125 5.009 6.146 1.00 0.00 C ATOM 0 H ILE A 5 2.048 6.335 8.275 1.00 0.00 H new ATOM 0 HA ILE A 5 0.115 6.380 10.528 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.375 5.077 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.705 5.827 6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.362 4.207 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.103 7.016 7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.733 7.494 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.572 7.845 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.649 4.594 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.909 4.333 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.561 5.978 5.905 1.00 0.00 H new ATOM 91 N GLU A 6 0.218 3.678 10.695 1.00 0.00 N ATOM 92 CA GLU A 6 0.582 2.307 11.122 1.00 0.00 C ATOM 93 C GLU A 6 -0.672 1.453 11.373 1.00 0.00 C ATOM 94 O GLU A 6 -1.774 1.978 11.554 1.00 0.00 O ATOM 95 CB GLU A 6 1.470 2.347 12.397 1.00 0.00 C ATOM 96 CG GLU A 6 0.814 3.062 13.598 1.00 0.00 C ATOM 97 CD GLU A 6 1.717 3.163 14.835 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.743 2.208 15.634 1.00 0.00 O ATOM 99 OE2 GLU A 6 2.380 4.203 15.027 1.00 0.00 O ATOM 0 H GLU A 6 -0.730 3.950 10.956 1.00 0.00 H new ATOM 0 HA GLU A 6 1.151 1.847 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.718 1.326 12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.408 2.847 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.520 4.066 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.098 2.531 13.869 1.00 0.00 H new ATOM 106 N ALA A 7 -0.472 0.127 11.425 1.00 0.00 N ATOM 107 CA ALA A 7 -1.556 -0.862 11.520 1.00 0.00 C ATOM 108 C ALA A 7 -1.011 -2.180 12.081 1.00 0.00 C ATOM 109 O ALA A 7 0.109 -2.576 11.776 1.00 0.00 O ATOM 110 CB ALA A 7 -2.197 -1.076 10.139 1.00 0.00 C ATOM 0 H ALA A 7 0.457 -0.293 11.402 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.324 -0.491 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.999 -1.810 10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.604 -0.132 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.443 -1.438 9.440 1.00 0.00 H new ATOM 116 N HIS A 8 -1.806 -2.842 12.926 1.00 0.00 N ATOM 117 CA HIS A 8 -1.446 -4.140 13.528 1.00 0.00 C ATOM 118 C HIS A 8 -2.217 -5.259 12.817 1.00 0.00 C ATOM 119 O HIS A 8 -3.451 -5.308 12.879 1.00 0.00 O ATOM 120 CB HIS A 8 -1.754 -4.148 15.044 1.00 0.00 C ATOM 121 CG HIS A 8 -0.911 -3.189 15.857 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.045 -3.596 16.846 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.819 -1.836 15.821 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.540 -2.543 17.384 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.091 -1.460 16.778 1.00 0.00 N ATOM 0 H HIS A 8 -2.721 -2.497 13.216 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.375 -4.304 13.405 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.806 -3.902 15.190 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.606 -5.158 15.427 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.362 -1.176 15.161 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.264 -2.564 18.185 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.373 -0.502 16.986 1.00 0.00 H new ATOM 134 N ILE A 9 -1.479 -6.122 12.106 1.00 0.00 N ATOM 135 CA ILE A 9 -2.042 -7.272 11.386 1.00 0.00 C ATOM 136 C ILE A 9 -1.537 -8.564 12.051 1.00 0.00 C ATOM 137 O ILE A 9 -0.331 -8.826 12.039 1.00 0.00 O ATOM 138 CB ILE A 9 -1.617 -7.227 9.865 1.00 0.00 C ATOM 139 CG1 ILE A 9 -2.077 -5.880 9.210 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.160 -8.447 9.088 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.750 -5.735 7.736 1.00 0.00 C ATOM 0 H ILE A 9 -0.466 -6.041 12.014 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.131 -7.240 11.431 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.529 -7.276 9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.155 -5.781 9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.615 -5.055 9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.848 -8.383 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.767 -9.363 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.249 -8.457 9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.109 -4.770 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.671 -5.796 7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.235 -6.534 7.175 1.00 0.00 H new ATOM 153 N GLU A 10 -2.443 -9.357 12.647 1.00 0.00 N ATOM 154 CA GLU A 10 -2.076 -10.605 13.345 1.00 0.00 C ATOM 155 C GLU A 10 -1.930 -11.743 12.325 1.00 0.00 C ATOM 156 O GLU A 10 -2.777 -12.641 12.209 1.00 0.00 O ATOM 157 CB GLU A 10 -3.115 -10.931 14.454 1.00 0.00 C ATOM 158 CG GLU A 10 -3.383 -9.769 15.431 1.00 0.00 C ATOM 159 CD GLU A 10 -2.129 -9.269 16.177 1.00 0.00 C ATOM 160 OE1 GLU A 10 -1.831 -9.795 17.270 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.442 -8.345 15.681 1.00 0.00 O ATOM 0 H GLU A 10 -3.443 -9.155 12.660 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.113 -10.481 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.055 -11.218 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.766 -11.794 15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.819 -8.937 14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.125 -10.088 16.163 1.00 0.00 H new ATOM 168 N GLN A 11 -0.829 -11.660 11.573 1.00 0.00 N ATOM 169 CA GLN A 11 -0.501 -12.585 10.491 1.00 0.00 C ATOM 170 C GLN A 11 1.023 -12.618 10.317 1.00 0.00 C ATOM 171 O GLN A 11 1.725 -11.748 10.846 1.00 0.00 O ATOM 172 CB GLN A 11 -1.180 -12.139 9.164 1.00 0.00 C ATOM 173 CG GLN A 11 -1.391 -13.278 8.137 1.00 0.00 C ATOM 174 CD GLN A 11 -2.645 -14.115 8.412 1.00 0.00 C ATOM 175 OE1 GLN A 11 -3.659 -13.594 8.840 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.587 -15.413 8.209 1.00 0.00 N ATOM 0 H GLN A 11 -0.127 -10.931 11.704 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.869 -13.580 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.147 -11.693 9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.573 -11.360 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.461 -12.849 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.518 -13.931 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.731 -15.835 7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.398 -15.997 8.410 1.00 0.00 H new ATOM 185 N GLU A 12 1.527 -13.611 9.572 1.00 0.00 N ATOM 186 CA GLU A 12 2.962 -13.779 9.307 1.00 0.00 C ATOM 187 C GLU A 12 3.431 -12.710 8.321 1.00 0.00 C ATOM 188 O GLU A 12 2.669 -12.312 7.445 1.00 0.00 O ATOM 189 CB GLU A 12 3.266 -15.188 8.722 1.00 0.00 C ATOM 190 CG GLU A 12 2.592 -16.381 9.453 1.00 0.00 C ATOM 191 CD GLU A 12 1.217 -16.765 8.868 1.00 0.00 C ATOM 192 OE1 GLU A 12 0.198 -16.152 9.238 1.00 0.00 O ATOM 193 OE2 GLU A 12 1.151 -17.685 8.026 1.00 0.00 O ATOM 0 H GLU A 12 0.946 -14.325 9.133 1.00 0.00 H new ATOM 0 HA GLU A 12 3.495 -13.676 10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.954 -15.203 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.345 -15.341 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.253 -17.246 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.472 -16.130 10.507 1.00 0.00 H new ATOM 200 N ILE A 13 4.689 -12.269 8.448 1.00 0.00 N ATOM 201 CA ILE A 13 5.244 -11.195 7.600 1.00 0.00 C ATOM 202 C ILE A 13 5.345 -11.659 6.127 1.00 0.00 C ATOM 203 O ILE A 13 5.274 -10.848 5.199 1.00 0.00 O ATOM 204 CB ILE A 13 6.620 -10.701 8.171 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.065 -9.386 7.481 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.712 -11.792 8.072 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.340 -8.792 8.032 1.00 0.00 C ATOM 0 H ILE A 13 5.348 -12.639 9.133 1.00 0.00 H new ATOM 0 HA ILE A 13 4.566 -10.342 7.616 1.00 0.00 H new ATOM 0 HB ILE A 13 6.479 -10.492 9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.198 -9.576 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.265 -8.651 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.648 -11.408 8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.403 -12.669 8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.856 -12.069 7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.577 -7.875 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.209 -8.566 9.090 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.155 -9.505 7.912 1.00 0.00 H new ATOM 219 N GLU A 14 5.448 -12.990 5.945 1.00 0.00 N ATOM 220 CA GLU A 14 5.369 -13.631 4.626 1.00 0.00 C ATOM 221 C GLU A 14 3.964 -13.454 4.024 1.00 0.00 C ATOM 222 O GLU A 14 3.814 -13.029 2.884 1.00 0.00 O ATOM 223 CB GLU A 14 5.703 -15.143 4.728 1.00 0.00 C ATOM 224 CG GLU A 14 7.033 -15.481 5.431 1.00 0.00 C ATOM 225 CD GLU A 14 8.251 -14.720 4.876 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.469 -14.738 3.643 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.991 -14.101 5.666 1.00 0.00 O ATOM 0 H GLU A 14 5.588 -13.648 6.712 1.00 0.00 H new ATOM 0 HA GLU A 14 6.100 -13.151 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.893 -15.641 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.727 -15.561 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.935 -15.262 6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.216 -16.552 5.342 1.00 0.00 H new ATOM 234 N ALA A 15 2.945 -13.765 4.841 1.00 0.00 N ATOM 235 CA ALA A 15 1.521 -13.774 4.429 1.00 0.00 C ATOM 236 C ALA A 15 0.966 -12.346 4.207 1.00 0.00 C ATOM 237 O ALA A 15 0.067 -12.136 3.385 1.00 0.00 O ATOM 238 CB ALA A 15 0.708 -14.536 5.478 1.00 0.00 C ATOM 0 H ALA A 15 3.082 -14.021 5.819 1.00 0.00 H new ATOM 0 HA ALA A 15 1.438 -14.279 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.342 -14.549 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.077 -15.559 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.809 -14.043 6.445 1.00 0.00 H new ATOM 244 N VAL A 16 1.519 -11.377 4.950 1.00 0.00 N ATOM 245 CA VAL A 16 1.193 -9.944 4.795 1.00 0.00 C ATOM 246 C VAL A 16 1.816 -9.404 3.494 1.00 0.00 C ATOM 247 O VAL A 16 1.148 -8.720 2.717 1.00 0.00 O ATOM 248 CB VAL A 16 1.688 -9.107 6.040 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.493 -7.583 5.847 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.988 -9.582 7.334 1.00 0.00 C ATOM 0 H VAL A 16 2.208 -11.561 5.679 1.00 0.00 H new ATOM 0 HA VAL A 16 0.109 -9.841 4.739 1.00 0.00 H new ATOM 0 HB VAL A 16 2.760 -9.284 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.850 -7.056 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.057 -7.252 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.435 -7.368 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.344 -8.992 8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.090 -9.456 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.215 -10.634 7.505 1.00 0.00 H new ATOM 260 N TRP A 17 3.094 -9.755 3.260 1.00 0.00 N ATOM 261 CA TRP A 17 3.824 -9.387 2.021 1.00 0.00 C ATOM 262 C TRP A 17 3.158 -10.013 0.782 1.00 0.00 C ATOM 263 O TRP A 17 3.114 -9.406 -0.295 1.00 0.00 O ATOM 264 CB TRP A 17 5.293 -9.853 2.127 1.00 0.00 C ATOM 265 CG TRP A 17 6.160 -9.508 0.933 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.453 -10.310 -0.137 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.847 -8.274 0.696 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.256 -9.646 -1.018 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.521 -8.399 -0.531 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.956 -7.082 1.404 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.286 -7.375 -1.068 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.723 -6.065 0.874 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.381 -6.218 -0.353 1.00 0.00 C ATOM 0 H TRP A 17 3.652 -10.299 3.918 1.00 0.00 H new ATOM 0 HA TRP A 17 3.794 -8.303 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.736 -9.410 3.019 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.307 -10.934 2.267 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.100 -11.322 -0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.603 -10.022 -1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.450 -6.955 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.788 -7.490 -2.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.818 -5.135 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.975 -5.404 -0.740 1.00 0.00 H new ATOM 284 N TRP A 18 2.664 -11.241 0.960 1.00 0.00 N ATOM 285 CA TRP A 18 1.916 -11.963 -0.075 1.00 0.00 C ATOM 286 C TRP A 18 0.689 -11.143 -0.480 1.00 0.00 C ATOM 287 O TRP A 18 0.567 -10.741 -1.626 1.00 0.00 O ATOM 288 CB TRP A 18 1.498 -13.358 0.445 1.00 0.00 C ATOM 289 CG TRP A 18 0.601 -14.154 -0.485 1.00 0.00 C ATOM 290 CD1 TRP A 18 0.968 -14.881 -1.587 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.829 -14.298 -0.378 1.00 0.00 C ATOM 292 NE1 TRP A 18 -0.135 -15.451 -2.167 1.00 0.00 N ATOM 293 CE2 TRP A 18 -1.245 -15.111 -1.444 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.790 -13.814 0.520 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.575 -15.450 -1.640 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.108 -14.154 0.322 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.492 -14.963 -0.751 1.00 0.00 C ATOM 0 H TRP A 18 2.771 -11.765 1.828 1.00 0.00 H new ATOM 0 HA TRP A 18 2.549 -12.105 -0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.399 -13.940 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.986 -13.234 1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.981 -14.989 -1.947 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.129 -16.035 -3.003 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.502 -13.187 1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.876 -16.077 -2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.859 -13.790 1.007 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.536 -15.209 -0.881 1.00 0.00 H new ATOM 308 N ALA A 19 -0.157 -10.843 0.516 1.00 0.00 N ATOM 309 CA ALA A 19 -1.409 -10.082 0.330 1.00 0.00 C ATOM 310 C ALA A 19 -1.148 -8.645 -0.179 1.00 0.00 C ATOM 311 O ALA A 19 -2.043 -8.011 -0.746 1.00 0.00 O ATOM 312 CB ALA A 19 -2.194 -10.069 1.649 1.00 0.00 C ATOM 0 H ALA A 19 0.007 -11.123 1.483 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.001 -10.577 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.119 -9.508 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.429 -11.092 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.592 -9.598 2.426 1.00 0.00 H new ATOM 318 N TRP A 20 0.082 -8.141 0.029 1.00 0.00 N ATOM 319 CA TRP A 20 0.475 -6.793 -0.415 1.00 0.00 C ATOM 320 C TRP A 20 0.719 -6.744 -1.938 1.00 0.00 C ATOM 321 O TRP A 20 0.240 -5.833 -2.622 1.00 0.00 O ATOM 322 CB TRP A 20 1.731 -6.305 0.354 1.00 0.00 C ATOM 323 CG TRP A 20 2.084 -4.857 0.057 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.008 -4.393 -0.838 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.490 -3.692 0.650 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.012 -3.021 -0.843 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.092 -2.570 0.063 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.505 -3.494 1.618 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.738 -1.269 0.411 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.154 -2.204 1.967 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.771 -1.104 1.362 1.00 0.00 C ATOM 0 H TRP A 20 0.825 -8.652 0.505 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.353 -6.121 -0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.562 -6.420 1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.578 -6.940 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.642 -5.016 -1.451 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.605 -2.432 -1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.023 -4.338 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.212 -0.418 -0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.607 -2.043 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.478 -0.106 1.652 1.00 0.00 H new ATOM 342 N ASN A 21 1.472 -7.721 -2.464 1.00 0.00 N ATOM 343 CA ASN A 21 1.937 -7.710 -3.880 1.00 0.00 C ATOM 344 C ASN A 21 1.093 -8.629 -4.793 1.00 0.00 C ATOM 345 O ASN A 21 1.214 -8.547 -6.023 1.00 0.00 O ATOM 346 CB ASN A 21 3.434 -8.119 -3.958 1.00 0.00 C ATOM 347 CG ASN A 21 4.357 -7.172 -3.186 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.630 -7.371 -2.000 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.861 -6.150 -3.863 1.00 0.00 N ATOM 0 H ASN A 21 1.779 -8.538 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 21 1.813 -6.690 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.549 -9.129 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.743 -8.146 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.497 -5.498 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.613 -6.016 -4.843 1.00 0.00 H new ATOM 356 N ASP A 22 0.273 -9.519 -4.188 1.00 0.00 N ATOM 357 CA ASP A 22 -0.621 -10.444 -4.925 1.00 0.00 C ATOM 358 C ASP A 22 -1.688 -9.646 -5.698 1.00 0.00 C ATOM 359 O ASP A 22 -2.449 -8.910 -5.070 1.00 0.00 O ATOM 360 CB ASP A 22 -1.303 -11.455 -3.946 1.00 0.00 C ATOM 361 CG ASP A 22 -2.172 -12.527 -4.641 1.00 0.00 C ATOM 362 OD1 ASP A 22 -3.357 -12.254 -4.938 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.681 -13.638 -4.898 1.00 0.00 O ATOM 0 H ASP A 22 0.212 -9.617 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.020 -11.011 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.530 -11.954 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.925 -10.899 -3.244 1.00 0.00 H new ATOM 368 N PRO A 23 -1.774 -9.793 -7.063 1.00 0.00 N ATOM 369 CA PRO A 23 -2.666 -8.963 -7.911 1.00 0.00 C ATOM 370 C PRO A 23 -4.170 -9.131 -7.580 1.00 0.00 C ATOM 371 O PRO A 23 -4.944 -8.180 -7.740 1.00 0.00 O ATOM 372 CB PRO A 23 -2.346 -9.439 -9.350 1.00 0.00 C ATOM 373 CG PRO A 23 -1.779 -10.815 -9.182 1.00 0.00 C ATOM 374 CD PRO A 23 -1.017 -10.782 -7.885 1.00 0.00 C ATOM 0 HA PRO A 23 -2.488 -7.899 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.242 -9.454 -9.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.633 -8.774 -9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.570 -11.564 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.125 -11.074 -10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.990 -11.763 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.017 -10.472 -8.035 1.00 0.00 H new ATOM 382 N ASP A 24 -4.577 -10.333 -7.116 1.00 0.00 N ATOM 383 CA ASP A 24 -6.003 -10.619 -6.797 1.00 0.00 C ATOM 384 C ASP A 24 -6.391 -9.974 -5.459 1.00 0.00 C ATOM 385 O ASP A 24 -7.531 -9.524 -5.278 1.00 0.00 O ATOM 386 CB ASP A 24 -6.273 -12.148 -6.765 1.00 0.00 C ATOM 387 CG ASP A 24 -7.773 -12.503 -6.654 1.00 0.00 C ATOM 388 OD1 ASP A 24 -8.298 -12.607 -5.523 1.00 0.00 O ATOM 389 OD2 ASP A 24 -8.441 -12.666 -7.702 1.00 0.00 O ATOM 0 H ASP A 24 -3.947 -11.119 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.620 -10.186 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.866 -12.601 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.740 -12.586 -5.921 1.00 0.00 H new ATOM 394 N CYS A 25 -5.430 -9.932 -4.530 1.00 0.00 N ATOM 395 CA CYS A 25 -5.593 -9.227 -3.254 1.00 0.00 C ATOM 396 C CYS A 25 -5.750 -7.719 -3.523 1.00 0.00 C ATOM 397 O CYS A 25 -6.692 -7.092 -3.046 1.00 0.00 O ATOM 398 CB CYS A 25 -4.389 -9.509 -2.332 1.00 0.00 C ATOM 399 SG CYS A 25 -4.122 -11.260 -1.981 1.00 0.00 S ATOM 0 H CYS A 25 -4.522 -10.383 -4.640 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.489 -9.585 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.489 -9.101 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.534 -8.979 -1.391 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.681 -11.566 -0.848 1.00 0.00 H new ATOM 405 N ILE A 26 -4.831 -7.178 -4.338 1.00 0.00 N ATOM 406 CA ILE A 26 -4.846 -5.774 -4.796 1.00 0.00 C ATOM 407 C ILE A 26 -6.138 -5.426 -5.572 1.00 0.00 C ATOM 408 O ILE A 26 -6.584 -4.277 -5.553 1.00 0.00 O ATOM 409 CB ILE A 26 -3.577 -5.477 -5.680 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.266 -5.746 -4.869 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.585 -4.034 -6.240 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.989 -5.650 -5.684 1.00 0.00 C ATOM 0 H ILE A 26 -4.042 -7.710 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.823 -5.141 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.609 -6.156 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.211 -5.034 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.325 -6.740 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.692 -3.873 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.471 -3.888 -6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.598 -3.323 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.132 -5.851 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.017 -6.382 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.900 -4.648 -6.105 1.00 0.00 H new ATOM 424 N ALA A 27 -6.744 -6.414 -6.251 1.00 0.00 N ATOM 425 CA ALA A 27 -8.048 -6.221 -6.918 1.00 0.00 C ATOM 426 C ALA A 27 -9.138 -5.848 -5.888 1.00 0.00 C ATOM 427 O ALA A 27 -10.008 -5.014 -6.162 1.00 0.00 O ATOM 428 CB ALA A 27 -8.451 -7.478 -7.701 1.00 0.00 C ATOM 0 H ALA A 27 -6.356 -7.352 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.949 -5.397 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.414 -7.313 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.697 -7.692 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.528 -8.323 -7.017 1.00 0.00 H new ATOM 434 N ARG A 28 -9.032 -6.448 -4.693 1.00 0.00 N ATOM 435 CA ARG A 28 -10.036 -6.323 -3.624 1.00 0.00 C ATOM 436 C ARG A 28 -9.766 -5.073 -2.748 1.00 0.00 C ATOM 437 O ARG A 28 -10.634 -4.207 -2.628 1.00 0.00 O ATOM 438 CB ARG A 28 -10.038 -7.619 -2.777 1.00 0.00 C ATOM 439 CG ARG A 28 -11.287 -7.826 -1.899 1.00 0.00 C ATOM 440 CD ARG A 28 -11.253 -9.182 -1.169 1.00 0.00 C ATOM 441 NE ARG A 28 -10.947 -10.293 -2.095 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.740 -11.569 -1.745 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.824 -11.960 -0.469 1.00 0.00 N ATOM 444 NH2 ARG A 28 -10.411 -12.447 -2.686 1.00 0.00 N ATOM 0 H ARG A 28 -8.240 -7.039 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.022 -6.190 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.939 -8.473 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.158 -7.615 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.355 -7.021 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.181 -7.769 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.504 -9.151 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.215 -9.362 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.888 -10.068 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.049 -11.282 0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.663 -12.937 -0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.320 -12.145 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.249 -13.423 -2.439 1.00 0.00 H new ATOM 458 N TRP A 29 -8.571 -4.988 -2.124 1.00 0.00 N ATOM 459 CA TRP A 29 -8.139 -3.789 -1.364 1.00 0.00 C ATOM 460 C TRP A 29 -7.248 -2.926 -2.275 1.00 0.00 C ATOM 461 O TRP A 29 -6.428 -3.466 -3.018 1.00 0.00 O ATOM 462 CB TRP A 29 -7.373 -4.180 -0.043 1.00 0.00 C ATOM 463 CG TRP A 29 -5.983 -4.748 -0.267 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.641 -6.059 -0.392 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.752 -3.999 -0.414 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.305 -6.176 -0.656 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.735 -4.930 -0.664 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.425 -2.637 -0.368 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.421 -4.553 -0.882 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.111 -2.262 -0.576 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.123 -3.219 -0.836 1.00 0.00 C ATOM 0 H TRP A 29 -7.882 -5.740 -2.131 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.021 -3.225 -1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.293 -3.297 0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.967 -4.912 0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.327 -6.888 -0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.810 -7.053 -0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.185 -1.895 -0.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.656 -5.289 -1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.843 -1.217 -0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.106 -2.898 -1.004 1.00 0.00 H new ATOM 482 N ASN A 30 -7.411 -1.597 -2.221 1.00 0.00 N ATOM 483 CA ASN A 30 -6.583 -0.630 -2.978 1.00 0.00 C ATOM 484 C ASN A 30 -6.980 0.786 -2.581 1.00 0.00 C ATOM 485 O ASN A 30 -6.136 1.607 -2.234 1.00 0.00 O ATOM 486 CB ASN A 30 -6.701 -0.811 -4.529 1.00 0.00 C ATOM 487 CG ASN A 30 -8.140 -0.992 -5.015 1.00 0.00 C ATOM 488 OD1 ASN A 30 -8.827 -0.032 -5.359 1.00 0.00 O ATOM 489 ND2 ASN A 30 -8.608 -2.233 -5.041 1.00 0.00 N ATOM 0 H ASN A 30 -8.127 -1.152 -1.647 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.540 -0.818 -2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.266 0.058 -5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.112 -1.677 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.563 -2.412 -5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.013 -3.009 -4.749 1.00 0.00 H new ATOM 496 N ALA A 31 -8.288 1.051 -2.655 1.00 0.00 N ATOM 497 CA ALA A 31 -8.894 2.314 -2.238 1.00 0.00 C ATOM 498 C ALA A 31 -9.558 2.124 -0.869 1.00 0.00 C ATOM 499 O ALA A 31 -9.765 0.981 -0.430 1.00 0.00 O ATOM 500 CB ALA A 31 -9.922 2.752 -3.291 1.00 0.00 C ATOM 0 H ALA A 31 -8.966 0.379 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.134 3.090 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.377 3.694 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.425 2.885 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.695 1.989 -3.385 1.00 0.00 H new ATOM 506 N ALA A 32 -9.884 3.233 -0.196 1.00 0.00 N ATOM 507 CA ALA A 32 -10.627 3.203 1.076 1.00 0.00 C ATOM 508 C ALA A 32 -12.080 2.751 0.803 1.00 0.00 C ATOM 509 O ALA A 32 -12.605 1.859 1.475 1.00 0.00 O ATOM 510 CB ALA A 32 -10.574 4.588 1.745 1.00 0.00 C ATOM 0 H ALA A 32 -9.644 4.173 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.171 2.490 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.125 4.559 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.536 4.858 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.023 5.329 1.084 1.00 0.00 H new ATOM 516 N SER A 33 -12.706 3.397 -0.201 1.00 0.00 N ATOM 517 CA SER A 33 -14.049 3.046 -0.699 1.00 0.00 C ATOM 518 C SER A 33 -14.164 1.546 -1.068 1.00 0.00 C ATOM 519 O SER A 33 -13.381 1.038 -1.883 1.00 0.00 O ATOM 520 CB SER A 33 -14.393 3.917 -1.930 1.00 0.00 C ATOM 521 OG SER A 33 -14.318 5.304 -1.634 1.00 0.00 O ATOM 0 H SER A 33 -12.288 4.186 -0.694 1.00 0.00 H new ATOM 0 HA SER A 33 -14.758 3.239 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.708 3.682 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.397 3.674 -2.278 1.00 0.00 H new ATOM 0 HG SER A 33 -14.540 5.822 -2.436 1.00 0.00 H new ATOM 527 N SER A 34 -15.154 0.861 -0.459 1.00 0.00 N ATOM 528 CA SER A 34 -15.422 -0.572 -0.674 1.00 0.00 C ATOM 529 C SER A 34 -15.955 -0.844 -2.094 1.00 0.00 C ATOM 530 O SER A 34 -15.831 -1.953 -2.617 1.00 0.00 O ATOM 531 CB SER A 34 -16.429 -1.065 0.395 1.00 0.00 C ATOM 532 OG SER A 34 -17.597 -0.245 0.431 1.00 0.00 O ATOM 0 H SER A 34 -15.796 1.295 0.204 1.00 0.00 H new ATOM 0 HA SER A 34 -14.486 -1.121 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.713 -2.095 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.951 -1.063 1.375 1.00 0.00 H new ATOM 0 HG SER A 34 -18.213 -0.583 1.114 1.00 0.00 H new ATOM 538 N ASP A 35 -16.545 0.181 -2.716 1.00 0.00 N ATOM 539 CA ASP A 35 -17.084 0.085 -4.080 1.00 0.00 C ATOM 540 C ASP A 35 -16.074 0.599 -5.108 1.00 0.00 C ATOM 541 O ASP A 35 -16.423 0.831 -6.258 1.00 0.00 O ATOM 542 CB ASP A 35 -18.431 0.834 -4.170 1.00 0.00 C ATOM 543 CG ASP A 35 -19.482 0.237 -3.216 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.103 -0.783 -3.574 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.661 0.753 -2.092 1.00 0.00 O ATOM 0 H ASP A 35 -16.663 1.100 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.267 -0.964 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.278 1.886 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.803 0.791 -5.194 1.00 0.00 H new ATOM 550 N TRP A 36 -14.804 0.740 -4.686 1.00 0.00 N ATOM 551 CA TRP A 36 -13.674 1.042 -5.574 1.00 0.00 C ATOM 552 C TRP A 36 -12.697 -0.130 -5.503 1.00 0.00 C ATOM 553 O TRP A 36 -12.381 -0.620 -4.413 1.00 0.00 O ATOM 554 CB TRP A 36 -13.000 2.382 -5.199 1.00 0.00 C ATOM 555 CG TRP A 36 -13.721 3.591 -5.749 1.00 0.00 C ATOM 556 CD1 TRP A 36 -15.005 3.989 -5.487 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.186 4.560 -6.656 1.00 0.00 C ATOM 558 NE1 TRP A 36 -15.297 5.121 -6.197 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.198 5.496 -6.916 1.00 0.00 C ATOM 560 CE3 TRP A 36 -11.947 4.715 -7.277 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.011 6.575 -7.771 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.762 5.787 -8.119 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.788 6.707 -8.362 1.00 0.00 C ATOM 0 H TRP A 36 -14.534 0.646 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.025 1.164 -6.599 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.947 2.462 -4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -11.975 2.380 -5.569 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.686 3.484 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -16.193 5.608 -6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.150 4.008 -7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.804 7.283 -7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.806 5.921 -8.602 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.609 7.537 -9.030 1.00 0.00 H new ATOM 574 N HIS A 37 -12.242 -0.581 -6.674 1.00 0.00 N ATOM 575 CA HIS A 37 -11.496 -1.834 -6.815 1.00 0.00 C ATOM 576 C HIS A 37 -10.528 -1.735 -8.001 1.00 0.00 C ATOM 577 O HIS A 37 -10.819 -1.034 -8.982 1.00 0.00 O ATOM 578 CB HIS A 37 -12.482 -3.020 -7.005 1.00 0.00 C ATOM 579 CG HIS A 37 -13.232 -3.025 -8.322 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.047 -3.982 -9.293 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.149 -2.158 -8.826 1.00 0.00 C ATOM 582 CE1 HIS A 37 -13.807 -3.704 -10.335 1.00 0.00 C ATOM 583 NE2 HIS A 37 -14.486 -2.604 -10.077 1.00 0.00 N ATOM 0 H HIS A 37 -12.381 -0.086 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.915 -2.011 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.925 -3.953 -6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -13.207 -3.004 -6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -14.540 -1.280 -8.332 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.863 -4.281 -11.246 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.153 -2.158 -10.706 1.00 0.00 H new ATOM 592 N THR A 38 -9.387 -2.447 -7.916 1.00 0.00 N ATOM 593 CA THR A 38 -8.399 -2.478 -9.000 1.00 0.00 C ATOM 594 C THR A 38 -8.884 -3.409 -10.133 1.00 0.00 C ATOM 595 O THR A 38 -9.065 -4.612 -9.926 1.00 0.00 O ATOM 596 CB THR A 38 -6.983 -2.918 -8.499 1.00 0.00 C ATOM 597 OG1 THR A 38 -6.525 -2.034 -7.477 1.00 0.00 O ATOM 598 CG2 THR A 38 -5.941 -2.916 -9.618 1.00 0.00 C ATOM 0 H THR A 38 -9.131 -3.008 -7.103 1.00 0.00 H new ATOM 0 HA THR A 38 -8.302 -1.462 -9.383 1.00 0.00 H new ATOM 0 HB THR A 38 -7.093 -3.934 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.285 -2.552 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.977 -3.229 -9.218 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.249 -3.606 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.854 -1.911 -10.032 1.00 0.00 H new ATOM 606 N THR A 39 -9.114 -2.817 -11.313 1.00 0.00 N ATOM 607 CA THR A 39 -9.558 -3.519 -12.521 1.00 0.00 C ATOM 608 C THR A 39 -8.365 -4.080 -13.319 1.00 0.00 C ATOM 609 O THR A 39 -8.550 -4.860 -14.258 1.00 0.00 O ATOM 610 CB THR A 39 -10.375 -2.540 -13.416 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.564 -1.403 -13.760 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.654 -2.053 -12.713 1.00 0.00 C ATOM 0 H THR A 39 -8.993 -1.814 -11.455 1.00 0.00 H new ATOM 0 HA THR A 39 -10.183 -4.359 -12.218 1.00 0.00 H new ATOM 0 HB THR A 39 -10.667 -3.083 -14.315 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.970 -0.589 -13.395 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.194 -1.373 -13.371 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.287 -2.908 -12.476 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.388 -1.533 -11.793 1.00 0.00 H new ATOM 620 N GLY A 40 -7.142 -3.641 -12.951 1.00 0.00 N ATOM 621 CA GLY A 40 -5.904 -4.102 -13.577 1.00 0.00 C ATOM 622 C GLY A 40 -4.688 -3.719 -12.746 1.00 0.00 C ATOM 623 O GLY A 40 -4.317 -2.538 -12.680 1.00 0.00 O ATOM 0 H GLY A 40 -6.995 -2.956 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.937 -5.185 -13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.816 -3.671 -14.574 1.00 0.00 H new ATOM 627 N SER A 41 -4.087 -4.717 -12.077 1.00 0.00 N ATOM 628 CA SER A 41 -2.921 -4.521 -11.201 1.00 0.00 C ATOM 629 C SER A 41 -1.637 -4.940 -11.932 1.00 0.00 C ATOM 630 O SER A 41 -1.365 -6.133 -12.095 1.00 0.00 O ATOM 631 CB SER A 41 -3.088 -5.337 -9.890 1.00 0.00 C ATOM 632 OG SER A 41 -1.992 -5.144 -9.003 1.00 0.00 O ATOM 0 H SER A 41 -4.398 -5.687 -12.129 1.00 0.00 H new ATOM 0 HA SER A 41 -2.849 -3.464 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.013 -5.042 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.179 -6.396 -10.130 1.00 0.00 H new ATOM 0 HG SER A 41 -1.911 -4.192 -8.786 1.00 0.00 H new ATOM 638 N ARG A 42 -0.894 -3.940 -12.407 1.00 0.00 N ATOM 639 CA ARG A 42 0.486 -4.110 -12.863 1.00 0.00 C ATOM 640 C ARG A 42 1.398 -4.142 -11.630 1.00 0.00 C ATOM 641 O ARG A 42 1.329 -3.238 -10.795 1.00 0.00 O ATOM 642 CB ARG A 42 0.880 -2.944 -13.820 1.00 0.00 C ATOM 643 CG ARG A 42 -0.032 -2.747 -15.067 1.00 0.00 C ATOM 644 CD ARG A 42 0.053 -3.898 -16.098 1.00 0.00 C ATOM 645 NE ARG A 42 -0.449 -5.180 -15.558 1.00 0.00 N ATOM 646 CZ ARG A 42 0.066 -6.404 -15.797 1.00 0.00 C ATOM 647 NH1 ARG A 42 1.113 -6.569 -16.600 1.00 0.00 N ATOM 648 NH2 ARG A 42 -0.446 -7.457 -15.168 1.00 0.00 N ATOM 0 H ARG A 42 -1.235 -2.982 -12.487 1.00 0.00 H new ATOM 0 HA ARG A 42 0.592 -5.042 -13.418 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.885 -2.016 -13.248 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.901 -3.112 -14.164 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.066 -2.645 -14.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.239 -1.812 -15.558 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.522 -3.631 -16.984 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.088 -4.022 -16.415 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.263 -5.134 -14.946 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.543 -5.761 -17.050 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.486 -7.504 -16.766 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.219 -7.334 -14.514 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.066 -8.388 -15.340 1.00 0.00 H new ATOM 662 N VAL A 43 2.183 -5.227 -11.475 1.00 0.00 N ATOM 663 CA VAL A 43 3.166 -5.385 -10.383 1.00 0.00 C ATOM 664 C VAL A 43 4.469 -5.953 -10.973 1.00 0.00 C ATOM 665 O VAL A 43 4.528 -7.139 -11.323 1.00 0.00 O ATOM 666 CB VAL A 43 2.653 -6.356 -9.228 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.701 -6.486 -8.085 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.280 -5.908 -8.668 1.00 0.00 C ATOM 0 H VAL A 43 2.153 -6.025 -12.109 1.00 0.00 H new ATOM 0 HA VAL A 43 3.324 -4.404 -9.935 1.00 0.00 H new ATOM 0 HB VAL A 43 2.521 -7.341 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.318 -7.155 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.630 -6.890 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.890 -5.504 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.965 -6.596 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.365 -4.902 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.542 -5.910 -9.470 1.00 0.00 H new ATOM 678 N ASP A 44 5.488 -5.096 -11.142 1.00 0.00 N ATOM 679 CA ASP A 44 6.853 -5.536 -11.499 1.00 0.00 C ATOM 680 C ASP A 44 7.782 -5.208 -10.325 1.00 0.00 C ATOM 681 O ASP A 44 8.470 -4.181 -10.302 1.00 0.00 O ATOM 682 CB ASP A 44 7.343 -4.894 -12.822 1.00 0.00 C ATOM 683 CG ASP A 44 8.666 -5.489 -13.340 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.674 -6.683 -13.723 1.00 0.00 O ATOM 685 OD2 ASP A 44 9.694 -4.782 -13.367 1.00 0.00 O ATOM 0 H ASP A 44 5.394 -4.086 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 44 6.855 -6.611 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.574 -5.020 -13.584 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.470 -3.822 -12.671 1.00 0.00 H new ATOM 690 N LEU A 45 7.703 -6.079 -9.309 1.00 0.00 N ATOM 691 CA LEU A 45 8.396 -5.934 -8.025 1.00 0.00 C ATOM 692 C LEU A 45 9.914 -6.182 -8.177 1.00 0.00 C ATOM 693 O LEU A 45 10.386 -7.307 -7.978 1.00 0.00 O ATOM 694 CB LEU A 45 7.752 -6.913 -6.995 1.00 0.00 C ATOM 695 CG LEU A 45 8.309 -6.860 -5.542 1.00 0.00 C ATOM 696 CD1 LEU A 45 8.000 -5.510 -4.867 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.794 -8.055 -4.698 1.00 0.00 C ATOM 0 H LEU A 45 7.139 -6.927 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 45 8.285 -4.912 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.681 -6.712 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.873 -7.930 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 45 9.394 -6.947 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.403 -5.509 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.457 -4.703 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.921 -5.361 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.200 -7.990 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.705 -8.026 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.114 -8.990 -5.158 1.00 0.00 H new ATOM 709 N VAL A 46 10.640 -5.144 -8.631 1.00 0.00 N ATOM 710 CA VAL A 46 12.119 -5.068 -8.609 1.00 0.00 C ATOM 711 C VAL A 46 12.539 -3.615 -8.328 1.00 0.00 C ATOM 712 O VAL A 46 11.720 -2.699 -8.438 1.00 0.00 O ATOM 713 CB VAL A 46 12.804 -5.552 -9.950 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.684 -7.081 -10.151 1.00 0.00 C ATOM 715 CG2 VAL A 46 12.264 -4.785 -11.174 1.00 0.00 C ATOM 0 H VAL A 46 10.207 -4.313 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 46 12.456 -5.745 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 46 13.866 -5.324 -9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.169 -7.364 -11.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.167 -7.596 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.631 -7.361 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.758 -5.145 -12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.189 -4.947 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.462 -3.720 -11.052 1.00 0.00 H new ATOM 725 N VAL A 47 13.818 -3.409 -7.977 1.00 0.00 N ATOM 726 CA VAL A 47 14.368 -2.060 -7.747 1.00 0.00 C ATOM 727 C VAL A 47 14.589 -1.374 -9.115 1.00 0.00 C ATOM 728 O VAL A 47 15.547 -1.679 -9.838 1.00 0.00 O ATOM 729 CB VAL A 47 15.704 -2.136 -6.914 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.312 -0.735 -6.635 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.474 -2.926 -5.600 1.00 0.00 C ATOM 0 H VAL A 47 14.494 -4.161 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 47 13.664 -1.468 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 47 16.437 -2.671 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.230 -0.845 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.534 -0.240 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.599 -0.135 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.405 -2.971 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.711 -2.426 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.144 -3.938 -5.837 1.00 0.00 H new ATOM 741 N GLY A 48 13.659 -0.473 -9.455 1.00 0.00 N ATOM 742 CA GLY A 48 13.596 0.194 -10.760 1.00 0.00 C ATOM 743 C GLY A 48 12.341 -0.204 -11.534 1.00 0.00 C ATOM 744 O GLY A 48 12.012 0.414 -12.550 1.00 0.00 O ATOM 0 H GLY A 48 12.916 -0.182 -8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.609 1.275 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.481 -0.062 -11.343 1.00 0.00 H new ATOM 748 N GLY A 49 11.629 -1.234 -11.032 1.00 0.00 N ATOM 749 CA GLY A 49 10.420 -1.760 -11.672 1.00 0.00 C ATOM 750 C GLY A 49 9.183 -0.912 -11.435 1.00 0.00 C ATOM 751 O GLY A 49 9.114 -0.149 -10.474 1.00 0.00 O ATOM 0 H GLY A 49 11.881 -1.720 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.594 -1.840 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.234 -2.769 -11.303 1.00 0.00 H new ATOM 755 N ARG A 50 8.199 -1.063 -12.326 1.00 0.00 N ATOM 756 CA ARG A 50 6.978 -0.235 -12.343 1.00 0.00 C ATOM 757 C ARG A 50 5.769 -1.006 -11.801 1.00 0.00 C ATOM 758 O ARG A 50 5.714 -2.237 -11.890 1.00 0.00 O ATOM 759 CB ARG A 50 6.688 0.222 -13.796 1.00 0.00 C ATOM 760 CG ARG A 50 7.850 0.963 -14.480 1.00 0.00 C ATOM 761 CD ARG A 50 8.224 2.283 -13.790 1.00 0.00 C ATOM 762 NE ARG A 50 9.282 3.010 -14.519 1.00 0.00 N ATOM 763 CZ ARG A 50 9.364 4.349 -14.640 1.00 0.00 C ATOM 764 NH1 ARG A 50 8.457 5.139 -14.090 1.00 0.00 N ATOM 765 NH2 ARG A 50 10.357 4.890 -15.329 1.00 0.00 N ATOM 0 H ARG A 50 8.222 -1.767 -13.064 1.00 0.00 H new ATOM 0 HA ARG A 50 7.144 0.630 -11.700 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.431 -0.653 -14.393 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.813 0.872 -13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.724 0.312 -14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.581 1.167 -15.516 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.339 2.914 -13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.560 2.078 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 50 10.010 2.453 -14.967 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.681 4.736 -13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.534 6.151 -14.191 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.058 4.293 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.421 5.904 -15.422 1.00 0.00 H new ATOM 779 N PHE A 51 4.797 -0.265 -11.246 1.00 0.00 N ATOM 780 CA PHE A 51 3.477 -0.816 -10.891 1.00 0.00 C ATOM 781 C PHE A 51 2.386 0.225 -11.191 1.00 0.00 C ATOM 782 O PHE A 51 2.655 1.427 -11.217 1.00 0.00 O ATOM 783 CB PHE A 51 3.412 -1.270 -9.397 1.00 0.00 C ATOM 784 CG PHE A 51 3.340 -0.134 -8.368 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.488 0.522 -7.953 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.114 0.278 -7.836 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.423 1.548 -7.045 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.049 1.311 -6.931 1.00 0.00 C ATOM 789 CZ PHE A 51 3.203 1.946 -6.533 1.00 0.00 C ATOM 0 H PHE A 51 4.901 0.727 -11.031 1.00 0.00 H new ATOM 0 HA PHE A 51 3.308 -1.705 -11.499 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.540 -1.911 -9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.290 -1.878 -9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.446 0.221 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.206 -0.222 -8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.328 2.046 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.095 1.623 -6.534 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.155 2.756 -5.820 1.00 0.00 H new ATOM 799 N CYS A 52 1.164 -0.264 -11.390 1.00 0.00 N ATOM 800 CA CYS A 52 -0.032 0.567 -11.566 1.00 0.00 C ATOM 801 C CYS A 52 -1.233 -0.211 -11.054 1.00 0.00 C ATOM 802 O CYS A 52 -1.376 -1.392 -11.349 1.00 0.00 O ATOM 803 CB CYS A 52 -0.245 0.940 -13.045 1.00 0.00 C ATOM 804 SG CYS A 52 -1.836 1.742 -13.381 1.00 0.00 S ATOM 0 H CYS A 52 0.970 -1.264 -11.435 1.00 0.00 H new ATOM 0 HA CYS A 52 0.094 1.495 -11.008 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.559 1.604 -13.361 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.169 0.037 -13.651 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.923 2.020 -14.648 1.00 0.00 H new ATOM 810 N HIS A 53 -2.076 0.429 -10.251 1.00 0.00 N ATOM 811 CA HIS A 53 -3.309 -0.177 -9.749 1.00 0.00 C ATOM 812 C HIS A 53 -4.475 0.714 -10.178 1.00 0.00 C ATOM 813 O HIS A 53 -4.735 1.754 -9.548 1.00 0.00 O ATOM 814 CB HIS A 53 -3.256 -0.342 -8.203 1.00 0.00 C ATOM 815 CG HIS A 53 -2.055 -1.121 -7.684 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.383 -2.083 -8.416 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.410 -1.059 -6.489 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.386 -2.566 -7.701 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.378 -1.964 -6.526 1.00 0.00 N ATOM 0 H HIS A 53 -1.925 1.385 -9.928 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.437 -1.177 -10.164 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.254 0.648 -7.746 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.166 -0.843 -7.874 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.622 -2.374 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.663 -0.414 -5.660 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.309 -3.328 -8.023 1.00 0.00 H new ATOM 828 N HIS A 54 -5.121 0.353 -11.306 1.00 0.00 N ATOM 829 CA HIS A 54 -6.255 1.122 -11.828 1.00 0.00 C ATOM 830 C HIS A 54 -7.480 0.906 -10.936 1.00 0.00 C ATOM 831 O HIS A 54 -8.169 -0.104 -11.049 1.00 0.00 O ATOM 832 CB HIS A 54 -6.579 0.742 -13.293 1.00 0.00 C ATOM 833 CG HIS A 54 -7.716 1.542 -13.901 1.00 0.00 C ATOM 834 ND1 HIS A 54 -9.039 1.312 -13.591 1.00 0.00 N ATOM 835 CD2 HIS A 54 -7.720 2.582 -14.772 1.00 0.00 C ATOM 836 CE1 HIS A 54 -9.800 2.169 -14.230 1.00 0.00 C ATOM 837 NE2 HIS A 54 -9.031 2.951 -14.957 1.00 0.00 N ATOM 0 H HIS A 54 -4.874 -0.463 -11.866 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.981 2.177 -11.819 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.685 0.882 -13.900 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.831 -0.318 -13.336 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.855 3.035 -15.234 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.877 2.223 -14.169 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -9.355 3.708 -15.560 1.00 0.00 H new ATOM 846 N MET A 55 -7.730 1.877 -10.070 1.00 0.00 N ATOM 847 CA MET A 55 -8.925 1.891 -9.223 1.00 0.00 C ATOM 848 C MET A 55 -10.116 2.376 -10.064 1.00 0.00 C ATOM 849 O MET A 55 -9.957 3.252 -10.914 1.00 0.00 O ATOM 850 CB MET A 55 -8.743 2.833 -8.009 1.00 0.00 C ATOM 851 CG MET A 55 -7.535 2.545 -7.113 1.00 0.00 C ATOM 852 SD MET A 55 -7.418 3.738 -5.759 1.00 0.00 S ATOM 853 CE MET A 55 -5.888 3.246 -4.973 1.00 0.00 C ATOM 0 H MET A 55 -7.115 2.678 -9.931 1.00 0.00 H new ATOM 0 HA MET A 55 -9.099 0.883 -8.847 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.662 3.856 -8.377 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.644 2.784 -7.398 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.614 1.537 -6.706 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.623 2.577 -7.708 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.015 3.257 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.620 2.240 -5.297 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.096 3.940 -5.252 1.00 0.00 H new ATOM 863 N ALA A 56 -11.279 1.762 -9.866 1.00 0.00 N ATOM 864 CA ALA A 56 -12.532 2.180 -10.512 1.00 0.00 C ATOM 865 C ALA A 56 -13.711 1.849 -9.605 1.00 0.00 C ATOM 866 O ALA A 56 -13.650 0.890 -8.826 1.00 0.00 O ATOM 867 CB ALA A 56 -12.701 1.497 -11.880 1.00 0.00 C ATOM 0 H ALA A 56 -11.386 0.956 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.496 3.257 -10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.635 1.823 -12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.867 1.768 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.721 0.415 -11.747 1.00 0.00 H new ATOM 873 N ALA A 57 -14.778 2.647 -9.707 1.00 0.00 N ATOM 874 CA ALA A 57 -16.032 2.397 -8.990 1.00 0.00 C ATOM 875 C ALA A 57 -16.762 1.178 -9.580 1.00 0.00 C ATOM 876 O ALA A 57 -16.488 0.765 -10.706 1.00 0.00 O ATOM 877 CB ALA A 57 -16.920 3.643 -9.044 1.00 0.00 C ATOM 0 H ALA A 57 -14.797 3.484 -10.289 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.803 2.176 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.850 3.450 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.401 4.480 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.142 3.887 -10.083 1.00 0.00 H new ATOM 883 N LYS A 58 -17.680 0.591 -8.802 1.00 0.00 N ATOM 884 CA LYS A 58 -18.522 -0.540 -9.255 1.00 0.00 C ATOM 885 C LYS A 58 -19.835 -0.002 -9.846 1.00 0.00 C ATOM 886 O LYS A 58 -20.412 -0.595 -10.764 1.00 0.00 O ATOM 887 CB LYS A 58 -18.791 -1.514 -8.076 1.00 0.00 C ATOM 888 CG LYS A 58 -17.505 -2.128 -7.480 1.00 0.00 C ATOM 889 CD LYS A 58 -17.768 -3.114 -6.318 1.00 0.00 C ATOM 890 CE LYS A 58 -16.454 -3.657 -5.699 1.00 0.00 C ATOM 891 NZ LYS A 58 -16.690 -4.726 -4.680 1.00 0.00 N ATOM 0 H LYS A 58 -17.865 0.881 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.998 -1.096 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.328 -0.982 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.442 -2.317 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.961 -2.647 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.860 -1.324 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.352 -2.614 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.368 -3.948 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.820 -4.052 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.909 -2.834 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.778 -5.051 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.271 -4.346 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.185 -5.526 -5.124 1.00 0.00 H new ATOM 905 N ASP A 59 -20.264 1.157 -9.324 1.00 0.00 N ATOM 906 CA ASP A 59 -21.518 1.850 -9.697 1.00 0.00 C ATOM 907 C ASP A 59 -21.238 3.042 -10.623 1.00 0.00 C ATOM 908 O ASP A 59 -22.167 3.738 -11.067 1.00 0.00 O ATOM 909 CB ASP A 59 -22.237 2.330 -8.409 1.00 0.00 C ATOM 910 CG ASP A 59 -21.359 3.219 -7.495 1.00 0.00 C ATOM 911 OD1 ASP A 59 -20.413 2.687 -6.860 1.00 0.00 O ATOM 912 OD2 ASP A 59 -21.610 4.440 -7.392 1.00 0.00 O ATOM 0 H ASP A 59 -19.736 1.657 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.157 1.152 -10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.131 2.886 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.568 1.459 -7.843 1.00 0.00 H new ATOM 917 N GLY A 60 -19.953 3.253 -10.937 1.00 0.00 N ATOM 918 CA GLY A 60 -19.529 4.358 -11.788 1.00 0.00 C ATOM 919 C GLY A 60 -18.277 4.026 -12.581 1.00 0.00 C ATOM 920 O GLY A 60 -17.486 3.179 -12.175 1.00 0.00 O ATOM 0 H GLY A 60 -19.188 2.664 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.335 4.614 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.344 5.238 -11.172 1.00 0.00 H new ATOM 924 N SER A 61 -18.112 4.692 -13.728 1.00 0.00 N ATOM 925 CA SER A 61 -16.929 4.556 -14.604 1.00 0.00 C ATOM 926 C SER A 61 -15.744 5.415 -14.078 1.00 0.00 C ATOM 927 O SER A 61 -14.638 5.379 -14.638 1.00 0.00 O ATOM 928 CB SER A 61 -17.326 4.952 -16.052 1.00 0.00 C ATOM 929 OG SER A 61 -16.256 4.768 -16.974 1.00 0.00 O ATOM 0 H SER A 61 -18.803 5.352 -14.085 1.00 0.00 H new ATOM 0 HA SER A 61 -16.590 3.520 -14.602 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.182 4.356 -16.368 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.641 5.995 -16.068 1.00 0.00 H new ATOM 0 HG SER A 61 -15.401 4.907 -16.515 1.00 0.00 H new ATOM 935 N ALA A 62 -16.007 6.189 -12.994 1.00 0.00 N ATOM 936 CA ALA A 62 -15.010 7.008 -12.282 1.00 0.00 C ATOM 937 C ALA A 62 -13.807 6.161 -11.820 1.00 0.00 C ATOM 938 O ALA A 62 -13.992 5.056 -11.299 1.00 0.00 O ATOM 939 CB ALA A 62 -15.679 7.695 -11.081 1.00 0.00 C ATOM 0 H ALA A 62 -16.940 6.258 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.629 7.764 -12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.943 8.301 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.490 8.333 -11.432 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.078 6.939 -10.405 1.00 0.00 H new ATOM 945 N GLY A 63 -12.587 6.698 -11.996 1.00 0.00 N ATOM 946 CA GLY A 63 -11.356 5.946 -11.752 1.00 0.00 C ATOM 947 C GLY A 63 -10.232 6.779 -11.128 1.00 0.00 C ATOM 948 O GLY A 63 -10.290 8.010 -11.112 1.00 0.00 O ATOM 0 H GLY A 63 -12.433 7.657 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.580 5.106 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.004 5.528 -12.695 1.00 0.00 H new ATOM 952 N PHE A 64 -9.212 6.072 -10.622 1.00 0.00 N ATOM 953 CA PHE A 64 -8.012 6.650 -9.989 1.00 0.00 C ATOM 954 C PHE A 64 -6.794 5.804 -10.401 1.00 0.00 C ATOM 955 O PHE A 64 -6.807 4.584 -10.227 1.00 0.00 O ATOM 956 CB PHE A 64 -8.174 6.649 -8.442 1.00 0.00 C ATOM 957 CG PHE A 64 -6.987 7.231 -7.651 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.916 8.594 -7.373 1.00 0.00 C ATOM 959 CD2 PHE A 64 -5.952 6.418 -7.184 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.856 9.122 -6.661 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.891 6.950 -6.472 1.00 0.00 C ATOM 962 CZ PHE A 64 -4.842 8.302 -6.210 1.00 0.00 C ATOM 0 H PHE A 64 -9.196 5.052 -10.641 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.874 7.681 -10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -9.070 7.215 -8.188 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.340 5.624 -8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.702 9.249 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.980 5.357 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.821 10.182 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.100 6.304 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.014 8.718 -5.655 1.00 0.00 H new ATOM 972 N ASP A 65 -5.766 6.450 -10.958 1.00 0.00 N ATOM 973 CA ASP A 65 -4.484 5.786 -11.258 1.00 0.00 C ATOM 974 C ASP A 65 -3.606 5.796 -9.993 1.00 0.00 C ATOM 975 O ASP A 65 -3.377 6.850 -9.399 1.00 0.00 O ATOM 976 CB ASP A 65 -3.766 6.467 -12.455 1.00 0.00 C ATOM 977 CG ASP A 65 -3.460 7.960 -12.250 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.416 8.768 -12.195 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.270 8.341 -12.166 1.00 0.00 O ATOM 0 H ASP A 65 -5.792 7.437 -11.213 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.672 4.753 -11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.831 5.941 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.385 6.355 -13.345 1.00 0.00 H new ATOM 984 N PHE A 66 -3.197 4.605 -9.537 1.00 0.00 N ATOM 985 CA PHE A 66 -2.287 4.438 -8.385 1.00 0.00 C ATOM 986 C PHE A 66 -0.990 3.791 -8.896 1.00 0.00 C ATOM 987 O PHE A 66 -0.801 2.570 -8.818 1.00 0.00 O ATOM 988 CB PHE A 66 -2.990 3.588 -7.291 1.00 0.00 C ATOM 989 CG PHE A 66 -2.246 3.459 -5.951 1.00 0.00 C ATOM 990 CD1 PHE A 66 -2.357 4.443 -4.967 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.466 2.341 -5.671 1.00 0.00 C ATOM 992 CE1 PHE A 66 -1.717 4.303 -3.747 1.00 0.00 C ATOM 993 CE2 PHE A 66 -0.820 2.204 -4.458 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.948 3.184 -3.491 1.00 0.00 C ATOM 0 H PHE A 66 -3.487 3.722 -9.956 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.036 5.395 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.971 4.021 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.156 2.587 -7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.950 5.325 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.364 1.566 -6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.819 5.070 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.214 1.331 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.449 3.075 -2.539 1.00 0.00 H new ATOM 1004 N THR A 67 -0.117 4.629 -9.461 1.00 0.00 N ATOM 1005 CA THR A 67 1.067 4.183 -10.209 1.00 0.00 C ATOM 1006 C THR A 67 2.357 4.775 -9.614 1.00 0.00 C ATOM 1007 O THR A 67 2.351 5.890 -9.082 1.00 0.00 O ATOM 1008 CB THR A 67 0.926 4.555 -11.725 1.00 0.00 C ATOM 1009 OG1 THR A 67 2.097 4.176 -12.460 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.637 6.051 -11.944 1.00 0.00 C ATOM 0 H THR A 67 -0.210 5.644 -9.413 1.00 0.00 H new ATOM 0 HA THR A 67 1.134 3.098 -10.125 1.00 0.00 H new ATOM 0 HB THR A 67 0.069 3.994 -12.097 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.804 4.838 -12.313 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.549 6.252 -13.012 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.295 6.318 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.452 6.644 -11.529 1.00 0.00 H new ATOM 1018 N GLY A 68 3.460 4.008 -9.723 1.00 0.00 N ATOM 1019 CA GLY A 68 4.763 4.422 -9.197 1.00 0.00 C ATOM 1020 C GLY A 68 5.890 3.486 -9.618 1.00 0.00 C ATOM 1021 O GLY A 68 5.677 2.556 -10.409 1.00 0.00 O ATOM 0 H GLY A 68 3.467 3.094 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.986 5.431 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.716 4.461 -8.109 1.00 0.00 H new ATOM 1025 N THR A 69 7.096 3.733 -9.086 1.00 0.00 N ATOM 1026 CA THR A 69 8.310 2.966 -9.409 1.00 0.00 C ATOM 1027 C THR A 69 8.996 2.534 -8.101 1.00 0.00 C ATOM 1028 O THR A 69 9.312 3.395 -7.269 1.00 0.00 O ATOM 1029 CB THR A 69 9.296 3.851 -10.243 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.595 4.431 -11.352 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.500 3.050 -10.773 1.00 0.00 C ATOM 0 H THR A 69 7.259 4.480 -8.411 1.00 0.00 H new ATOM 0 HA THR A 69 8.037 2.088 -9.994 1.00 0.00 H new ATOM 0 HB THR A 69 9.679 4.625 -9.578 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.998 5.296 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.153 3.710 -11.344 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.054 2.628 -9.934 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.146 2.244 -11.416 1.00 0.00 H new ATOM 1039 N PHE A 70 9.228 1.219 -7.928 1.00 0.00 N ATOM 1040 CA PHE A 70 9.875 0.667 -6.722 1.00 0.00 C ATOM 1041 C PHE A 70 11.334 1.141 -6.619 1.00 0.00 C ATOM 1042 O PHE A 70 12.116 0.957 -7.547 1.00 0.00 O ATOM 1043 CB PHE A 70 9.818 -0.877 -6.717 1.00 0.00 C ATOM 1044 CG PHE A 70 8.401 -1.475 -6.735 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.592 -1.425 -5.601 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.887 -2.093 -7.876 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.322 -1.975 -5.607 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.614 -2.641 -7.879 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.834 -2.584 -6.743 1.00 0.00 C ATOM 0 H PHE A 70 8.973 0.512 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 70 9.326 1.035 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.364 -1.249 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.339 -1.242 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.962 -0.950 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.490 -2.145 -8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.711 -1.927 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.232 -3.113 -8.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.844 -3.015 -6.744 1.00 0.00 H new ATOM 1059 N THR A 71 11.678 1.778 -5.496 1.00 0.00 N ATOM 1060 CA THR A 71 13.027 2.296 -5.222 1.00 0.00 C ATOM 1061 C THR A 71 13.803 1.343 -4.307 1.00 0.00 C ATOM 1062 O THR A 71 15.037 1.338 -4.301 1.00 0.00 O ATOM 1063 CB THR A 71 12.926 3.701 -4.558 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.012 3.639 -3.448 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.437 4.761 -5.546 1.00 0.00 C ATOM 0 H THR A 71 11.018 1.952 -4.738 1.00 0.00 H new ATOM 0 HA THR A 71 13.564 2.377 -6.167 1.00 0.00 H new ATOM 0 HB THR A 71 13.923 3.984 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.948 4.522 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.380 5.727 -5.044 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.133 4.827 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.449 4.485 -5.916 1.00 0.00 H new ATOM 1073 N ARG A 72 13.064 0.541 -3.530 1.00 0.00 N ATOM 1074 CA ARG A 72 13.630 -0.414 -2.574 1.00 0.00 C ATOM 1075 C ARG A 72 12.682 -1.601 -2.440 1.00 0.00 C ATOM 1076 O ARG A 72 11.500 -1.407 -2.158 1.00 0.00 O ATOM 1077 CB ARG A 72 13.807 0.261 -1.185 1.00 0.00 C ATOM 1078 CG ARG A 72 14.347 -0.658 -0.070 1.00 0.00 C ATOM 1079 CD ARG A 72 14.271 0.005 1.319 1.00 0.00 C ATOM 1080 NE ARG A 72 14.998 1.293 1.367 1.00 0.00 N ATOM 1081 CZ ARG A 72 14.490 2.467 1.784 1.00 0.00 C ATOM 1082 NH1 ARG A 72 13.239 2.556 2.226 1.00 0.00 N ATOM 1083 NH2 ARG A 72 15.241 3.554 1.745 1.00 0.00 N ATOM 0 H ARG A 72 12.044 0.538 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 72 14.603 -0.749 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.484 1.108 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.844 0.661 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.777 -1.587 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.382 -0.922 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.227 0.170 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.686 -0.672 2.066 1.00 0.00 H new ATOM 0 HE ARG A 72 15.970 1.291 1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.647 1.726 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.871 3.455 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.199 3.500 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.862 4.447 2.060 1.00 0.00 H new ATOM 1097 N VAL A 73 13.192 -2.821 -2.647 1.00 0.00 N ATOM 1098 CA VAL A 73 12.435 -4.051 -2.372 1.00 0.00 C ATOM 1099 C VAL A 73 13.191 -4.832 -1.291 1.00 0.00 C ATOM 1100 O VAL A 73 14.158 -5.539 -1.587 1.00 0.00 O ATOM 1101 CB VAL A 73 12.234 -4.942 -3.658 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.412 -6.215 -3.331 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.581 -4.126 -4.802 1.00 0.00 C ATOM 0 H VAL A 73 14.132 -2.984 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 73 11.434 -3.781 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 73 13.217 -5.264 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.289 -6.811 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.936 -6.803 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.432 -5.927 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.454 -4.764 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.608 -3.758 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.221 -3.282 -5.058 1.00 0.00 H new ATOM 1113 N GLU A 74 12.779 -4.643 -0.030 1.00 0.00 N ATOM 1114 CA GLU A 74 13.383 -5.320 1.131 1.00 0.00 C ATOM 1115 C GLU A 74 12.410 -6.403 1.625 1.00 0.00 C ATOM 1116 O GLU A 74 11.764 -6.258 2.663 1.00 0.00 O ATOM 1117 CB GLU A 74 13.706 -4.262 2.231 1.00 0.00 C ATOM 1118 CG GLU A 74 14.502 -4.781 3.447 1.00 0.00 C ATOM 1119 CD GLU A 74 14.799 -3.681 4.482 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.763 -2.913 4.281 1.00 0.00 O ATOM 1121 OE2 GLU A 74 14.050 -3.551 5.478 1.00 0.00 O ATOM 0 H GLU A 74 12.015 -4.014 0.217 1.00 0.00 H new ATOM 0 HA GLU A 74 14.321 -5.806 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.268 -3.449 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.767 -3.839 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.941 -5.583 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.442 -5.212 3.102 1.00 0.00 H new ATOM 1128 N ALA A 75 12.288 -7.482 0.835 1.00 0.00 N ATOM 1129 CA ALA A 75 11.326 -8.559 1.088 1.00 0.00 C ATOM 1130 C ALA A 75 11.721 -9.367 2.344 1.00 0.00 C ATOM 1131 O ALA A 75 12.882 -9.778 2.464 1.00 0.00 O ATOM 1132 CB ALA A 75 11.237 -9.467 -0.143 1.00 0.00 C ATOM 0 H ALA A 75 12.857 -7.629 0.001 1.00 0.00 H new ATOM 0 HA ALA A 75 10.345 -8.121 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.522 -10.267 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.909 -8.883 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.217 -9.898 -0.349 1.00 0.00 H new ATOM 1138 N PRO A 76 10.781 -9.596 3.320 1.00 0.00 N ATOM 1139 CA PRO A 76 9.415 -9.027 3.345 1.00 0.00 C ATOM 1140 C PRO A 76 9.254 -7.837 4.326 1.00 0.00 C ATOM 1141 O PRO A 76 8.135 -7.397 4.578 1.00 0.00 O ATOM 1142 CB PRO A 76 8.623 -10.249 3.837 1.00 0.00 C ATOM 1143 CG PRO A 76 9.529 -10.895 4.844 1.00 0.00 C ATOM 1144 CD PRO A 76 10.959 -10.512 4.469 1.00 0.00 C ATOM 0 HA PRO A 76 9.104 -8.606 2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.675 -9.954 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.390 -10.929 3.017 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.290 -10.555 5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.405 -11.978 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.474 -10.023 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.551 -11.386 4.198 1.00 0.00 H new ATOM 1152 N THR A 77 10.381 -7.325 4.866 1.00 0.00 N ATOM 1153 CA THR A 77 10.383 -6.398 6.011 1.00 0.00 C ATOM 1154 C THR A 77 10.117 -4.931 5.628 1.00 0.00 C ATOM 1155 O THR A 77 9.882 -4.114 6.518 1.00 0.00 O ATOM 1156 CB THR A 77 11.736 -6.513 6.800 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.846 -6.333 5.905 1.00 0.00 O ATOM 1158 CG2 THR A 77 11.881 -7.872 7.498 1.00 0.00 C ATOM 0 H THR A 77 11.314 -7.545 4.518 1.00 0.00 H new ATOM 0 HA THR A 77 9.550 -6.702 6.645 1.00 0.00 H new ATOM 0 HB THR A 77 11.730 -5.733 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.102 -5.387 5.887 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.831 -7.908 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.063 -8.007 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.853 -8.668 6.754 1.00 0.00 H new ATOM 1166 N ARG A 78 10.140 -4.597 4.325 1.00 0.00 N ATOM 1167 CA ARG A 78 9.963 -3.202 3.859 1.00 0.00 C ATOM 1168 C ARG A 78 9.799 -3.146 2.332 1.00 0.00 C ATOM 1169 O ARG A 78 10.355 -3.969 1.608 1.00 0.00 O ATOM 1170 CB ARG A 78 11.169 -2.321 4.332 1.00 0.00 C ATOM 1171 CG ARG A 78 11.131 -0.828 3.938 1.00 0.00 C ATOM 1172 CD ARG A 78 12.081 0.046 4.793 1.00 0.00 C ATOM 1173 NE ARG A 78 13.500 -0.384 4.736 1.00 0.00 N ATOM 1174 CZ ARG A 78 14.567 0.438 4.844 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.410 1.746 5.020 1.00 0.00 N ATOM 1176 NH2 ARG A 78 15.790 -0.053 4.760 1.00 0.00 N ATOM 0 H ARG A 78 10.279 -5.272 3.573 1.00 0.00 H new ATOM 0 HA ARG A 78 9.050 -2.802 4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.232 -2.385 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.086 -2.755 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.401 -0.728 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.112 -0.456 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.010 1.080 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.745 0.025 5.830 1.00 0.00 H new ATOM 0 HE ARG A 78 13.685 -1.379 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.473 2.144 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.227 2.352 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.929 -1.053 4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.595 0.568 4.842 1.00 0.00 H new ATOM 1190 N LEU A 79 9.000 -2.183 1.858 1.00 0.00 N ATOM 1191 CA LEU A 79 8.836 -1.889 0.436 1.00 0.00 C ATOM 1192 C LEU A 79 8.708 -0.375 0.256 1.00 0.00 C ATOM 1193 O LEU A 79 7.822 0.238 0.839 1.00 0.00 O ATOM 1194 CB LEU A 79 7.595 -2.613 -0.146 1.00 0.00 C ATOM 1195 CG LEU A 79 7.405 -2.493 -1.688 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.671 -2.950 -2.450 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.166 -3.289 -2.148 1.00 0.00 C ATOM 0 H LEU A 79 8.443 -1.579 2.463 1.00 0.00 H new ATOM 0 HA LEU A 79 9.709 -2.252 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.659 -3.670 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.704 -2.219 0.343 1.00 0.00 H new ATOM 0 HG LEU A 79 7.242 -1.441 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.505 -2.854 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.517 -2.328 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.885 -3.991 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.051 -3.192 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.292 -4.340 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.278 -2.898 -1.652 1.00 0.00 H new ATOM 1209 N SER A 80 9.590 0.212 -0.557 1.00 0.00 N ATOM 1210 CA SER A 80 9.575 1.652 -0.832 1.00 0.00 C ATOM 1211 C SER A 80 9.487 1.876 -2.336 1.00 0.00 C ATOM 1212 O SER A 80 10.032 1.096 -3.130 1.00 0.00 O ATOM 1213 CB SER A 80 10.820 2.351 -0.246 1.00 0.00 C ATOM 1214 OG SER A 80 10.729 3.766 -0.370 1.00 0.00 O ATOM 0 H SER A 80 10.331 -0.294 -1.041 1.00 0.00 H new ATOM 0 HA SER A 80 8.702 2.091 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.929 2.083 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.714 1.996 -0.760 1.00 0.00 H new ATOM 0 HG SER A 80 9.786 4.031 -0.405 1.00 0.00 H new ATOM 1220 N PHE A 81 8.785 2.952 -2.707 1.00 0.00 N ATOM 1221 CA PHE A 81 8.528 3.323 -4.090 1.00 0.00 C ATOM 1222 C PHE A 81 8.137 4.806 -4.177 1.00 0.00 C ATOM 1223 O PHE A 81 7.455 5.328 -3.295 1.00 0.00 O ATOM 1224 CB PHE A 81 7.435 2.405 -4.724 1.00 0.00 C ATOM 1225 CG PHE A 81 6.175 2.159 -3.879 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.117 3.060 -3.892 1.00 0.00 C ATOM 1227 CD2 PHE A 81 6.045 1.004 -3.107 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.973 2.818 -3.163 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.904 0.766 -2.369 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.863 1.670 -2.399 1.00 0.00 C ATOM 0 H PHE A 81 8.374 3.599 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 81 9.443 3.179 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.129 2.844 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.888 1.440 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.192 3.962 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.850 0.285 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.159 3.527 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.826 -0.128 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.965 1.482 -1.828 1.00 0.00 H new ATOM 1240 N VAL A 82 8.569 5.476 -5.255 1.00 0.00 N ATOM 1241 CA VAL A 82 8.222 6.885 -5.516 1.00 0.00 C ATOM 1242 C VAL A 82 7.207 6.922 -6.670 1.00 0.00 C ATOM 1243 O VAL A 82 7.454 6.352 -7.739 1.00 0.00 O ATOM 1244 CB VAL A 82 9.486 7.771 -5.869 1.00 0.00 C ATOM 1245 CG1 VAL A 82 9.081 9.233 -6.193 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.523 7.733 -4.724 1.00 0.00 C ATOM 0 H VAL A 82 9.167 5.061 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 82 7.796 7.310 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 82 9.945 7.347 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.973 9.813 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.404 9.242 -7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.582 9.672 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.382 8.349 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.070 8.117 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.850 6.706 -4.563 1.00 0.00 H new ATOM 1256 N MET A 83 6.078 7.614 -6.446 1.00 0.00 N ATOM 1257 CA MET A 83 4.975 7.716 -7.412 1.00 0.00 C ATOM 1258 C MET A 83 5.388 8.628 -8.576 1.00 0.00 C ATOM 1259 O MET A 83 6.317 9.432 -8.439 1.00 0.00 O ATOM 1260 CB MET A 83 3.709 8.295 -6.725 1.00 0.00 C ATOM 1261 CG MET A 83 3.146 7.458 -5.578 1.00 0.00 C ATOM 1262 SD MET A 83 2.585 5.833 -6.103 1.00 0.00 S ATOM 1263 CE MET A 83 1.767 5.268 -4.617 1.00 0.00 C ATOM 0 H MET A 83 5.905 8.123 -5.579 1.00 0.00 H new ATOM 0 HA MET A 83 4.749 6.720 -7.791 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.945 9.289 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.931 8.418 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.912 7.342 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.314 7.993 -5.120 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.363 4.269 -4.781 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.483 5.239 -3.796 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.955 5.951 -4.366 1.00 0.00 H new ATOM 1273 N ASP A 84 4.668 8.524 -9.701 1.00 0.00 N ATOM 1274 CA ASP A 84 4.867 9.389 -10.893 1.00 0.00 C ATOM 1275 C ASP A 84 4.459 10.851 -10.608 1.00 0.00 C ATOM 1276 O ASP A 84 4.804 11.759 -11.372 1.00 0.00 O ATOM 1277 CB ASP A 84 4.061 8.829 -12.098 1.00 0.00 C ATOM 1278 CG ASP A 84 4.527 7.438 -12.540 1.00 0.00 C ATOM 1279 OD1 ASP A 84 4.115 6.442 -11.918 1.00 0.00 O ATOM 1280 OD2 ASP A 84 5.332 7.337 -13.500 1.00 0.00 O ATOM 0 H ASP A 84 3.924 7.836 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 84 5.929 9.384 -11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.005 8.784 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.149 9.519 -12.938 1.00 0.00 H new ATOM 1285 N ASP A 85 3.733 11.071 -9.495 1.00 0.00 N ATOM 1286 CA ASP A 85 3.368 12.418 -9.005 1.00 0.00 C ATOM 1287 C ASP A 85 4.431 12.951 -8.025 1.00 0.00 C ATOM 1288 O ASP A 85 4.226 13.984 -7.378 1.00 0.00 O ATOM 1289 CB ASP A 85 1.991 12.378 -8.301 1.00 0.00 C ATOM 1290 CG ASP A 85 0.841 11.968 -9.230 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.660 12.615 -10.281 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.092 11.026 -8.904 1.00 0.00 O ATOM 0 H ASP A 85 3.380 10.316 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 85 3.315 13.086 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.039 11.680 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.777 13.362 -7.883 1.00 0.00 H new ATOM 1297 N GLY A 86 5.551 12.220 -7.899 1.00 0.00 N ATOM 1298 CA GLY A 86 6.672 12.610 -7.034 1.00 0.00 C ATOM 1299 C GLY A 86 6.453 12.263 -5.556 1.00 0.00 C ATOM 1300 O GLY A 86 7.335 12.507 -4.728 1.00 0.00 O ATOM 0 H GLY A 86 5.703 11.342 -8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.579 12.118 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.836 13.684 -7.127 1.00 0.00 H new ATOM 1304 N ARG A 87 5.270 11.704 -5.226 1.00 0.00 N ATOM 1305 CA ARG A 87 4.924 11.292 -3.849 1.00 0.00 C ATOM 1306 C ARG A 87 5.749 10.059 -3.464 1.00 0.00 C ATOM 1307 O ARG A 87 5.492 8.966 -3.962 1.00 0.00 O ATOM 1308 CB ARG A 87 3.407 10.961 -3.754 1.00 0.00 C ATOM 1309 CG ARG A 87 2.436 12.101 -4.147 1.00 0.00 C ATOM 1310 CD ARG A 87 2.266 13.188 -3.067 1.00 0.00 C ATOM 1311 NE ARG A 87 3.490 13.982 -2.808 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.928 15.017 -3.551 1.00 0.00 C ATOM 1313 NH1 ARG A 87 3.275 15.414 -4.633 1.00 0.00 N ATOM 1314 NH2 ARG A 87 5.014 15.669 -3.187 1.00 0.00 N ATOM 0 H ARG A 87 4.529 11.526 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 87 5.149 12.109 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.203 10.101 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.185 10.659 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.795 12.569 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.460 11.671 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.465 13.863 -3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.950 12.715 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 87 4.050 13.722 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.422 14.933 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.625 16.200 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.519 15.389 -2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.350 16.453 -3.746 1.00 0.00 H new ATOM 1328 N GLU A 88 6.742 10.232 -2.588 1.00 0.00 N ATOM 1329 CA GLU A 88 7.558 9.112 -2.109 1.00 0.00 C ATOM 1330 C GLU A 88 6.759 8.352 -1.055 1.00 0.00 C ATOM 1331 O GLU A 88 6.073 8.958 -0.250 1.00 0.00 O ATOM 1332 CB GLU A 88 8.897 9.618 -1.534 1.00 0.00 C ATOM 1333 CG GLU A 88 9.859 8.506 -1.080 1.00 0.00 C ATOM 1334 CD GLU A 88 11.238 9.041 -0.677 1.00 0.00 C ATOM 1335 OE1 GLU A 88 12.067 9.325 -1.569 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.497 9.196 0.528 1.00 0.00 O ATOM 0 H GLU A 88 7.001 11.137 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 88 7.797 8.445 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.395 10.226 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.690 10.270 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.420 7.974 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.977 7.782 -1.886 1.00 0.00 H new ATOM 1343 N VAL A 89 6.809 7.025 -1.095 1.00 0.00 N ATOM 1344 CA VAL A 89 6.009 6.158 -0.213 1.00 0.00 C ATOM 1345 C VAL A 89 6.914 5.044 0.319 1.00 0.00 C ATOM 1346 O VAL A 89 7.612 4.393 -0.460 1.00 0.00 O ATOM 1347 CB VAL A 89 4.776 5.547 -0.996 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.929 4.597 -0.118 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.889 6.660 -1.611 1.00 0.00 C ATOM 0 H VAL A 89 7.407 6.510 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 89 5.613 6.743 0.617 1.00 0.00 H new ATOM 0 HB VAL A 89 5.192 4.950 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.097 4.206 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.550 3.770 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.542 5.144 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.052 6.206 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.510 7.303 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.481 7.254 -2.308 1.00 0.00 H new ATOM 1359 N ASP A 90 6.937 4.844 1.643 1.00 0.00 N ATOM 1360 CA ASP A 90 7.797 3.827 2.276 1.00 0.00 C ATOM 1361 C ASP A 90 6.990 3.024 3.297 1.00 0.00 C ATOM 1362 O ASP A 90 6.716 3.487 4.409 1.00 0.00 O ATOM 1363 CB ASP A 90 9.029 4.495 2.937 1.00 0.00 C ATOM 1364 CG ASP A 90 9.916 3.510 3.725 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.597 2.668 3.102 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.930 3.575 4.968 1.00 0.00 O ATOM 0 H ASP A 90 6.368 5.375 2.302 1.00 0.00 H new ATOM 0 HA ASP A 90 8.161 3.141 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.630 4.974 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.688 5.282 3.610 1.00 0.00 H new ATOM 1371 N VAL A 91 6.639 1.803 2.899 1.00 0.00 N ATOM 1372 CA VAL A 91 5.869 0.864 3.711 1.00 0.00 C ATOM 1373 C VAL A 91 6.856 -0.042 4.457 1.00 0.00 C ATOM 1374 O VAL A 91 7.826 -0.510 3.869 1.00 0.00 O ATOM 1375 CB VAL A 91 4.910 -0.002 2.809 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.845 -0.732 3.662 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.266 0.857 1.690 1.00 0.00 C ATOM 0 H VAL A 91 6.888 1.431 1.982 1.00 0.00 H new ATOM 0 HA VAL A 91 5.249 1.413 4.419 1.00 0.00 H new ATOM 0 HB VAL A 91 5.511 -0.769 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.199 -1.321 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.340 -1.391 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.245 0.001 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.610 0.232 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.687 1.664 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.049 1.279 1.060 1.00 0.00 H new ATOM 1387 N GLN A 92 6.618 -0.266 5.741 1.00 0.00 N ATOM 1388 CA GLN A 92 7.518 -1.031 6.616 1.00 0.00 C ATOM 1389 C GLN A 92 6.725 -2.161 7.282 1.00 0.00 C ATOM 1390 O GLN A 92 5.726 -1.904 7.942 1.00 0.00 O ATOM 1391 CB GLN A 92 8.115 -0.087 7.691 1.00 0.00 C ATOM 1392 CG GLN A 92 8.825 1.158 7.130 1.00 0.00 C ATOM 1393 CD GLN A 92 9.279 2.152 8.198 1.00 0.00 C ATOM 1394 OE1 GLN A 92 9.635 1.769 9.316 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.281 3.439 7.866 1.00 0.00 N ATOM 0 H GLN A 92 5.785 0.080 6.218 1.00 0.00 H new ATOM 0 HA GLN A 92 8.333 -1.460 6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.314 0.237 8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.824 -0.651 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.693 0.839 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.152 1.666 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.981 3.726 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.582 4.140 8.543 1.00 0.00 H new ATOM 1404 N PHE A 93 7.156 -3.406 7.090 1.00 0.00 N ATOM 1405 CA PHE A 93 6.505 -4.588 7.682 1.00 0.00 C ATOM 1406 C PHE A 93 7.400 -5.116 8.816 1.00 0.00 C ATOM 1407 O PHE A 93 8.472 -5.673 8.557 1.00 0.00 O ATOM 1408 CB PHE A 93 6.287 -5.670 6.594 1.00 0.00 C ATOM 1409 CG PHE A 93 5.566 -5.161 5.335 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.284 -4.632 4.257 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.180 -5.213 5.229 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.638 -4.177 3.126 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.533 -4.761 4.094 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.262 -4.245 3.041 1.00 0.00 C ATOM 0 H PHE A 93 7.970 -3.631 6.518 1.00 0.00 H new ATOM 0 HA PHE A 93 5.528 -4.323 8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.255 -6.078 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.711 -6.490 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.361 -4.579 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.600 -5.613 6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.210 -3.767 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.456 -4.812 4.031 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.757 -3.895 2.153 1.00 0.00 H new ATOM 1424 N ALA A 94 7.008 -4.869 10.070 1.00 0.00 N ATOM 1425 CA ALA A 94 7.783 -5.309 11.245 1.00 0.00 C ATOM 1426 C ALA A 94 7.320 -6.712 11.675 1.00 0.00 C ATOM 1427 O ALA A 94 6.162 -6.883 12.034 1.00 0.00 O ATOM 1428 CB ALA A 94 7.633 -4.294 12.389 1.00 0.00 C ATOM 0 H ALA A 94 6.153 -4.364 10.303 1.00 0.00 H new ATOM 0 HA ALA A 94 8.840 -5.363 10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.210 -4.630 13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.001 -3.321 12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.582 -4.210 12.666 1.00 0.00 H new ATOM 1434 N SER A 95 8.213 -7.717 11.592 1.00 0.00 N ATOM 1435 CA SER A 95 7.919 -9.082 12.067 1.00 0.00 C ATOM 1436 C SER A 95 7.859 -9.098 13.611 1.00 0.00 C ATOM 1437 O SER A 95 8.854 -8.812 14.284 1.00 0.00 O ATOM 1438 CB SER A 95 8.974 -10.068 11.513 1.00 0.00 C ATOM 1439 OG SER A 95 10.299 -9.654 11.820 1.00 0.00 O ATOM 0 H SER A 95 9.148 -7.608 11.199 1.00 0.00 H new ATOM 0 HA SER A 95 6.945 -9.403 11.698 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.798 -11.060 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.861 -10.151 10.432 1.00 0.00 H new ATOM 0 HG SER A 95 10.315 -9.239 12.708 1.00 0.00 H new ATOM 1445 N GLU A 96 6.680 -9.438 14.158 1.00 0.00 N ATOM 1446 CA GLU A 96 6.353 -9.292 15.598 1.00 0.00 C ATOM 1447 C GLU A 96 6.042 -10.671 16.213 1.00 0.00 C ATOM 1448 O GLU A 96 5.533 -11.545 15.503 1.00 0.00 O ATOM 1449 CB GLU A 96 5.126 -8.354 15.778 1.00 0.00 C ATOM 1450 CG GLU A 96 5.299 -6.954 15.177 1.00 0.00 C ATOM 1451 CD GLU A 96 6.420 -6.135 15.836 1.00 0.00 C ATOM 1452 OE1 GLU A 96 6.172 -5.529 16.898 1.00 0.00 O ATOM 1453 OE2 GLU A 96 7.552 -6.091 15.306 1.00 0.00 O ATOM 0 H GLU A 96 5.913 -9.828 13.610 1.00 0.00 H new ATOM 0 HA GLU A 96 7.213 -8.857 16.107 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.255 -8.825 15.323 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.914 -8.254 16.843 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.508 -7.049 14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.360 -6.409 15.270 1.00 0.00 H new ATOM 1460 N PRO A 97 6.291 -10.883 17.553 1.00 0.00 N ATOM 1461 CA PRO A 97 5.973 -12.169 18.233 1.00 0.00 C ATOM 1462 C PRO A 97 4.453 -12.492 18.245 1.00 0.00 C ATOM 1463 O PRO A 97 4.061 -13.626 18.528 1.00 0.00 O ATOM 1464 CB PRO A 97 6.524 -11.963 19.672 1.00 0.00 C ATOM 1465 CG PRO A 97 6.538 -10.482 19.858 1.00 0.00 C ATOM 1466 CD PRO A 97 6.909 -9.916 18.505 1.00 0.00 C ATOM 0 HA PRO A 97 6.416 -13.021 17.718 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.890 -12.450 20.413 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.523 -12.386 19.779 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.564 -10.117 20.184 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.260 -10.188 20.620 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.516 -8.909 18.368 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.990 -9.857 18.375 1.00 0.00 H new ATOM 1474 N GLY A 98 3.607 -11.476 17.960 1.00 0.00 N ATOM 1475 CA GLY A 98 2.146 -11.651 17.883 1.00 0.00 C ATOM 1476 C GLY A 98 1.574 -11.485 16.474 1.00 0.00 C ATOM 1477 O GLY A 98 0.390 -11.758 16.259 1.00 0.00 O ATOM 0 H GLY A 98 3.918 -10.522 17.779 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.889 -12.643 18.254 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.668 -10.929 18.546 1.00 0.00 H new ATOM 1481 N GLY A 99 2.395 -11.022 15.511 1.00 0.00 N ATOM 1482 CA GLY A 99 1.920 -10.805 14.135 1.00 0.00 C ATOM 1483 C GLY A 99 2.918 -10.038 13.265 1.00 0.00 C ATOM 1484 O GLY A 99 4.090 -10.402 13.203 1.00 0.00 O ATOM 0 H GLY A 99 3.378 -10.794 15.660 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.712 -11.770 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.978 -10.257 14.165 1.00 0.00 H new ATOM 1488 N THR A 100 2.438 -8.982 12.598 1.00 0.00 N ATOM 1489 CA THR A 100 3.243 -8.104 11.734 1.00 0.00 C ATOM 1490 C THR A 100 2.695 -6.673 11.839 1.00 0.00 C ATOM 1491 O THR A 100 1.568 -6.389 11.404 1.00 0.00 O ATOM 1492 CB THR A 100 3.225 -8.566 10.239 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.738 -9.902 10.133 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.054 -7.642 9.321 1.00 0.00 C ATOM 0 H THR A 100 1.457 -8.706 12.644 1.00 0.00 H new ATOM 0 HA THR A 100 4.278 -8.149 12.073 1.00 0.00 H new ATOM 0 HB THR A 100 2.187 -8.523 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.039 -10.542 10.382 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.006 -8.010 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.650 -6.630 9.363 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.091 -7.633 9.655 1.00 0.00 H new ATOM 1502 N TRP A 101 3.483 -5.796 12.457 1.00 0.00 N ATOM 1503 CA TRP A 101 3.131 -4.390 12.662 1.00 0.00 C ATOM 1504 C TRP A 101 3.546 -3.584 11.422 1.00 0.00 C ATOM 1505 O TRP A 101 4.724 -3.259 11.232 1.00 0.00 O ATOM 1506 CB TRP A 101 3.827 -3.886 13.944 1.00 0.00 C ATOM 1507 CG TRP A 101 3.622 -2.433 14.283 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.452 -1.727 14.280 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.636 -1.524 14.724 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.684 -0.440 14.684 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.017 -0.294 14.970 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.009 -1.650 14.950 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.726 0.814 15.407 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.713 -0.549 15.387 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.071 0.668 15.619 1.00 0.00 C ATOM 0 H TRP A 101 4.397 -6.044 12.835 1.00 0.00 H new ATOM 0 HA TRP A 101 2.056 -4.268 12.792 1.00 0.00 H new ATOM 0 HB2 TRP A 101 3.476 -4.487 14.783 1.00 0.00 H new ATOM 0 HB3 TRP A 101 4.897 -4.068 13.847 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.488 -2.125 14.000 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.979 0.293 14.760 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.509 -2.593 14.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.234 1.761 15.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.777 -0.629 15.552 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.646 1.511 15.973 1.00 0.00 H new ATOM 1526 N VAL A 102 2.564 -3.310 10.559 1.00 0.00 N ATOM 1527 CA VAL A 102 2.783 -2.612 9.292 1.00 0.00 C ATOM 1528 C VAL A 102 2.666 -1.101 9.500 1.00 0.00 C ATOM 1529 O VAL A 102 1.592 -0.582 9.788 1.00 0.00 O ATOM 1530 CB VAL A 102 1.756 -3.088 8.194 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.001 -2.390 6.829 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.783 -4.628 8.051 1.00 0.00 C ATOM 0 H VAL A 102 1.591 -3.568 10.722 1.00 0.00 H new ATOM 0 HA VAL A 102 3.787 -2.851 8.942 1.00 0.00 H new ATOM 0 HB VAL A 102 0.760 -2.794 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.272 -2.747 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.897 -1.312 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.007 -2.621 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.067 -4.935 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.783 -4.949 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.518 -5.087 9.004 1.00 0.00 H new ATOM 1542 N GLN A 103 3.794 -0.420 9.328 1.00 0.00 N ATOM 1543 CA GLN A 103 3.881 1.039 9.315 1.00 0.00 C ATOM 1544 C GLN A 103 3.956 1.495 7.859 1.00 0.00 C ATOM 1545 O GLN A 103 4.187 0.686 6.953 1.00 0.00 O ATOM 1546 CB GLN A 103 5.132 1.528 10.091 1.00 0.00 C ATOM 1547 CG GLN A 103 5.114 1.225 11.597 1.00 0.00 C ATOM 1548 CD GLN A 103 6.335 1.784 12.327 1.00 0.00 C ATOM 1549 OE1 GLN A 103 6.331 2.920 12.798 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.387 0.991 12.426 1.00 0.00 N ATOM 0 H GLN A 103 4.696 -0.877 9.190 1.00 0.00 H new ATOM 0 HA GLN A 103 3.004 1.463 9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.017 1.068 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.231 2.605 9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.209 1.645 12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.070 0.146 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.359 0.054 12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.227 1.316 12.904 1.00 0.00 H new ATOM 1559 N GLU A 104 3.710 2.770 7.640 1.00 0.00 N ATOM 1560 CA GLU A 104 3.773 3.382 6.314 1.00 0.00 C ATOM 1561 C GLU A 104 4.116 4.864 6.522 1.00 0.00 C ATOM 1562 O GLU A 104 3.630 5.483 7.472 1.00 0.00 O ATOM 1563 CB GLU A 104 2.405 3.167 5.586 1.00 0.00 C ATOM 1564 CG GLU A 104 2.444 3.127 4.049 1.00 0.00 C ATOM 1565 CD GLU A 104 2.883 4.448 3.402 1.00 0.00 C ATOM 1566 OE1 GLU A 104 2.030 5.337 3.226 1.00 0.00 O ATOM 1567 OE2 GLU A 104 4.088 4.605 3.097 1.00 0.00 O ATOM 0 H GLU A 104 3.457 3.424 8.381 1.00 0.00 H new ATOM 0 HA GLU A 104 4.536 2.932 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.973 2.231 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.728 3.966 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.124 2.336 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.454 2.863 3.677 1.00 0.00 H new ATOM 1574 N THR A 105 4.983 5.420 5.680 1.00 0.00 N ATOM 1575 CA THR A 105 5.336 6.833 5.715 1.00 0.00 C ATOM 1576 C THR A 105 5.376 7.349 4.285 1.00 0.00 C ATOM 1577 O THR A 105 6.266 6.980 3.512 1.00 0.00 O ATOM 1578 CB THR A 105 6.709 7.083 6.414 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.681 6.537 7.743 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.044 8.579 6.499 1.00 0.00 C ATOM 0 H THR A 105 5.464 4.896 4.948 1.00 0.00 H new ATOM 0 HA THR A 105 4.585 7.365 6.299 1.00 0.00 H new ATOM 0 HB THR A 105 7.476 6.594 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.374 7.223 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.007 8.709 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.091 8.999 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.271 9.093 7.071 1.00 0.00 H new ATOM 1588 N PHE A 106 4.418 8.212 3.943 1.00 0.00 N ATOM 1589 CA PHE A 106 4.266 8.732 2.588 1.00 0.00 C ATOM 1590 C PHE A 106 4.474 10.251 2.607 1.00 0.00 C ATOM 1591 O PHE A 106 3.904 10.956 3.443 1.00 0.00 O ATOM 1592 CB PHE A 106 2.880 8.370 1.988 1.00 0.00 C ATOM 1593 CG PHE A 106 1.662 8.977 2.718 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.185 8.418 3.905 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.001 10.098 2.209 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.091 8.955 4.553 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.090 10.638 2.861 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.547 10.064 4.032 1.00 0.00 C ATOM 0 H PHE A 106 3.725 8.569 4.601 1.00 0.00 H new ATOM 0 HA PHE A 106 5.018 8.270 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.857 8.695 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.777 7.285 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.679 7.553 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.349 10.549 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.267 8.508 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.586 11.508 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.403 10.483 4.540 1.00 0.00 H new ATOM 1608 N ASP A 107 5.329 10.731 1.708 1.00 0.00 N ATOM 1609 CA ASP A 107 5.462 12.152 1.400 1.00 0.00 C ATOM 1610 C ASP A 107 4.141 12.640 0.794 1.00 0.00 C ATOM 1611 O ASP A 107 3.773 12.248 -0.322 1.00 0.00 O ATOM 1612 CB ASP A 107 6.651 12.404 0.440 1.00 0.00 C ATOM 1613 CG ASP A 107 6.766 13.867 -0.012 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.287 14.700 0.757 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.334 14.190 -1.139 1.00 0.00 O ATOM 0 H ASP A 107 5.957 10.137 1.166 1.00 0.00 H new ATOM 0 HA ASP A 107 5.672 12.710 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.577 12.110 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.542 11.767 -0.438 1.00 0.00 H new ATOM 1620 N ALA A 108 3.432 13.457 1.565 1.00 0.00 N ATOM 1621 CA ALA A 108 2.104 13.945 1.223 1.00 0.00 C ATOM 1622 C ALA A 108 2.194 15.227 0.389 1.00 0.00 C ATOM 1623 O ALA A 108 3.288 15.728 0.081 1.00 0.00 O ATOM 1624 CB ALA A 108 1.312 14.190 2.513 1.00 0.00 C ATOM 0 H ALA A 108 3.772 13.804 2.462 1.00 0.00 H new ATOM 0 HA ALA A 108 1.589 13.196 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.316 14.556 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.227 13.257 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.829 14.931 3.122 1.00 0.00 H new ATOM 1630 N GLU A 109 1.020 15.737 0.024 1.00 0.00 N ATOM 1631 CA GLU A 109 0.867 17.005 -0.692 1.00 0.00 C ATOM 1632 C GLU A 109 0.591 18.123 0.316 1.00 0.00 C ATOM 1633 O GLU A 109 -0.362 18.033 1.091 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.301 16.915 -1.711 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.152 15.766 -2.716 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.332 15.640 -3.687 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -2.322 14.960 -3.353 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -1.278 16.228 -4.782 1.00 0.00 O ATOM 0 H GLU A 109 0.132 15.274 0.220 1.00 0.00 H new ATOM 0 HA GLU A 109 1.786 17.220 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.238 16.792 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.370 17.857 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.764 15.912 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.041 14.829 -2.170 1.00 0.00 H new ATOM 1688 N THR A 113 -4.906 19.050 2.881 1.00 0.00 N ATOM 1689 CA THR A 113 -4.805 19.050 4.351 1.00 0.00 C ATOM 1690 C THR A 113 -4.253 17.691 4.862 1.00 0.00 C ATOM 1691 O THR A 113 -4.803 16.642 4.500 1.00 0.00 O ATOM 1692 CB THR A 113 -6.202 19.342 4.991 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.194 18.490 4.396 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.630 20.807 4.809 1.00 0.00 C ATOM 0 HA THR A 113 -4.112 19.837 4.648 1.00 0.00 H new ATOM 0 HB THR A 113 -6.116 19.145 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.939 18.287 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.606 20.961 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.898 21.461 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.690 21.039 3.746 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.133 17.689 5.671 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.479 16.447 6.164 1.00 0.00 C ATOM 1704 C PRO A 114 -3.423 15.487 6.917 1.00 0.00 C ATOM 1705 O PRO A 114 -3.265 14.273 6.805 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.348 16.972 7.085 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.049 18.335 6.563 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.387 18.896 6.137 1.00 0.00 C ATOM 0 HA PRO A 114 -2.123 15.837 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.667 17.006 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.469 16.328 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.586 18.958 7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.354 18.292 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.898 19.390 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.279 19.634 5.342 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.378 16.037 7.683 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.384 15.233 8.422 1.00 0.00 C ATOM 1718 C ALA A 115 -6.242 14.365 7.468 1.00 0.00 C ATOM 1719 O ALA A 115 -6.477 13.182 7.732 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.273 16.155 9.276 1.00 0.00 C ATOM 0 H ALA A 115 -4.481 17.044 7.812 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.849 14.549 9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.008 15.556 9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.654 16.698 9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.788 16.865 8.629 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.670 14.975 6.355 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.482 14.313 5.311 1.00 0.00 C ATOM 1728 C GLN A 116 -6.690 13.176 4.641 1.00 0.00 C ATOM 1729 O GLN A 116 -7.170 12.040 4.524 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.895 15.374 4.256 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.621 14.834 3.005 1.00 0.00 C ATOM 1732 CD GLN A 116 -8.835 15.918 1.947 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -7.980 16.139 1.080 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.974 16.598 2.006 1.00 0.00 N ATOM 0 H GLN A 116 -6.463 15.952 6.147 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.370 13.876 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.541 16.106 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.999 15.904 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.041 14.018 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.586 14.419 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.656 16.388 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.167 17.330 1.322 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.457 13.506 4.235 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.560 12.588 3.505 1.00 0.00 C ATOM 1745 C GLN A 117 -4.182 11.379 4.373 1.00 0.00 C ATOM 1746 O GLN A 117 -4.131 10.249 3.890 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.289 13.344 3.061 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.568 14.599 2.214 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.309 15.392 1.884 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.677 15.180 0.860 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.933 16.307 2.754 1.00 0.00 N ATOM 0 H GLN A 117 -5.047 14.424 4.403 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.086 12.219 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.724 13.635 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.657 12.665 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.056 14.302 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.266 15.243 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.481 16.462 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.094 16.861 2.581 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.941 11.650 5.665 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.607 10.622 6.659 1.00 0.00 C ATOM 1762 C GLN A 118 -4.783 9.651 6.840 1.00 0.00 C ATOM 1763 O GLN A 118 -4.599 8.442 6.841 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.243 11.286 8.009 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.797 10.298 9.106 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.271 10.962 10.376 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.706 12.044 10.754 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.326 10.317 11.042 1.00 0.00 N ATOM 0 H GLN A 118 -3.973 12.594 6.050 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.745 10.057 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.444 12.008 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.107 11.845 8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.640 9.659 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.020 9.650 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.985 9.418 10.701 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.939 10.719 11.896 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.994 10.219 6.969 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.248 9.451 7.123 1.00 0.00 C ATOM 1779 C ALA A 119 -7.546 8.588 5.880 1.00 0.00 C ATOM 1780 O ALA A 119 -8.115 7.498 5.992 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.415 10.414 7.402 1.00 0.00 C ATOM 0 H ALA A 119 -6.135 11.229 6.970 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.128 8.772 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.338 9.845 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.217 10.970 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.518 11.111 6.570 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.145 9.094 4.705 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.368 8.413 3.436 1.00 0.00 C ATOM 1789 C GLY A 120 -6.483 7.192 3.258 1.00 0.00 C ATOM 1790 O GLY A 120 -6.976 6.089 3.010 1.00 0.00 O ATOM 0 H GLY A 120 -6.658 9.986 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.413 8.111 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.186 9.110 2.618 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.166 7.392 3.407 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.177 6.297 3.319 1.00 0.00 C ATOM 1796 C TRP A 121 -4.351 5.300 4.471 1.00 0.00 C ATOM 1797 O TRP A 121 -4.073 4.116 4.300 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.737 6.852 3.313 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.314 7.496 2.018 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.755 8.679 1.508 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.341 6.997 1.082 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.119 8.951 0.329 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.255 7.935 0.040 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.538 5.851 1.028 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.401 7.770 -1.045 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.309 5.688 -0.051 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.372 6.643 -1.074 1.00 0.00 C ATOM 0 H TRP A 121 -4.754 8.307 3.590 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.352 5.773 2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.641 7.584 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.048 6.038 3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.500 9.311 1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.267 9.782 -0.244 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.580 5.111 1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.350 8.505 -1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.934 4.809 -0.107 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.046 6.485 -1.903 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.788 5.790 5.647 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.099 4.920 6.803 1.00 0.00 C ATOM 1820 C GLN A 122 -6.415 4.169 6.557 1.00 0.00 C ATOM 1821 O GLN A 122 -6.603 3.081 7.075 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.149 5.727 8.131 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.336 4.890 9.414 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.294 3.774 9.567 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.513 2.630 9.146 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -3.153 4.090 10.163 1.00 0.00 N ATOM 0 H GLN A 122 -4.934 6.784 5.824 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.296 4.190 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.225 6.298 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.964 6.448 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.283 5.549 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.333 4.449 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.000 5.040 10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.428 3.383 10.285 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.313 4.762 5.759 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.509 4.062 5.286 1.00 0.00 C ATOM 1837 C GLY A 123 -8.141 2.872 4.399 1.00 0.00 C ATOM 1838 O GLY A 123 -8.751 1.806 4.486 1.00 0.00 O ATOM 0 H GLY A 123 -7.232 5.724 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.092 3.716 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.141 4.753 4.728 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.111 3.078 3.562 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.562 2.054 2.650 1.00 0.00 C ATOM 1844 C ILE A 124 -5.733 0.993 3.416 1.00 0.00 C ATOM 1845 O ILE A 124 -5.795 -0.198 3.090 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.667 2.750 1.555 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.521 3.759 0.717 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.967 1.716 0.639 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.740 4.554 -0.319 1.00 0.00 C ATOM 0 H ILE A 124 -6.627 3.974 3.497 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.397 1.540 2.174 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.880 3.302 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.313 3.208 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -7.005 4.457 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.360 2.238 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.328 1.070 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.719 1.112 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.416 5.225 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.965 5.138 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.278 3.869 -1.030 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.973 1.437 4.429 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.063 0.557 5.201 1.00 0.00 C ATOM 1863 C LEU A 125 -4.869 -0.315 6.177 1.00 0.00 C ATOM 1864 O LEU A 125 -4.521 -1.469 6.426 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.997 1.399 5.966 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.888 0.589 6.718 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.046 -0.268 5.738 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.989 1.521 7.569 1.00 0.00 C ATOM 0 H LEU A 125 -4.967 2.409 4.740 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.539 -0.096 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.511 2.066 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.513 2.028 6.691 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.391 -0.097 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.286 -0.816 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.696 -0.973 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.563 0.382 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.229 0.928 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.505 2.251 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.600 2.040 8.308 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.937 0.281 6.731 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.923 -0.421 7.582 1.00 0.00 C ATOM 1882 C ASP A 126 -7.812 -1.341 6.718 1.00 0.00 C ATOM 1883 O ASP A 126 -8.310 -2.356 7.206 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.782 0.605 8.374 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.761 -0.028 9.379 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.904 -0.332 8.998 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -8.386 -0.237 10.553 1.00 0.00 O ATOM 0 H ASP A 126 -6.146 1.271 6.603 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.391 -1.041 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.116 1.281 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.348 1.210 7.666 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.997 -0.976 5.430 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.697 -1.833 4.438 1.00 0.00 C ATOM 1894 C ASN A 127 -7.845 -3.077 4.137 1.00 0.00 C ATOM 1895 O ASN A 127 -8.364 -4.185 4.029 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.986 -1.032 3.134 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.722 -1.819 2.045 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.559 -2.675 2.327 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -9.414 -1.530 0.785 1.00 0.00 N ATOM 0 H ASN A 127 -7.670 -0.088 5.048 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.652 -2.154 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.577 -0.152 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.040 -0.674 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -9.876 -2.023 0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.716 -0.815 0.582 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.524 -2.867 4.023 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.545 -3.950 3.831 1.00 0.00 C ATOM 1908 C PHE A 128 -5.483 -4.837 5.086 1.00 0.00 C ATOM 1909 O PHE A 128 -5.444 -6.062 4.978 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.141 -3.373 3.496 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.017 -4.422 3.469 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.094 -5.519 2.613 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.911 -4.322 4.309 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.106 -6.473 2.593 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.921 -5.286 4.291 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.018 -6.360 3.429 1.00 0.00 C ATOM 0 H PHE A 128 -6.103 -1.939 4.061 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.866 -4.561 2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.186 -2.880 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.891 -2.608 4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.944 -5.621 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.826 -3.482 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.183 -7.314 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.071 -5.199 4.952 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.242 -7.110 3.410 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.472 -4.194 6.266 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.465 -4.881 7.569 1.00 0.00 C ATOM 1928 C LYS A 129 -6.664 -5.831 7.675 1.00 0.00 C ATOM 1929 O LYS A 129 -6.493 -7.045 7.757 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.525 -3.844 8.726 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.555 -4.438 10.161 1.00 0.00 C ATOM 1932 CD LYS A 129 -6.219 -3.485 11.191 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.587 -2.084 11.215 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.255 -1.195 12.204 1.00 0.00 N ATOM 0 H LYS A 129 -5.468 -3.177 6.343 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.542 -5.456 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.661 -3.184 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.412 -3.226 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.096 -5.384 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.536 -4.658 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -7.280 -3.394 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.146 -3.927 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.528 -2.167 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.653 -1.638 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.593 -0.452 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.091 -0.757 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.549 -1.754 13.030 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.872 -5.247 7.598 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.137 -5.974 7.809 1.00 0.00 C ATOM 1950 C ARG A 130 -9.345 -7.036 6.720 1.00 0.00 C ATOM 1951 O ARG A 130 -10.024 -8.034 6.951 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.340 -4.996 7.850 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.651 -5.629 8.371 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.860 -4.670 8.332 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.025 -5.241 9.040 1.00 0.00 N ATOM 1956 CZ ARG A 130 -14.241 -5.154 10.366 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -13.380 -4.513 11.151 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -15.327 -5.702 10.893 1.00 0.00 N ATOM 0 H ARG A 130 -8.000 -4.257 7.388 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.075 -6.478 8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.083 -4.147 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.511 -4.605 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.880 -6.513 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.499 -5.967 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.586 -3.718 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.128 -4.462 7.296 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.718 -5.739 8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -12.547 -4.082 10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -13.552 -4.452 12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -15.995 -6.187 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -15.494 -5.638 11.897 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.747 -6.810 5.540 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.688 -7.823 4.477 1.00 0.00 C ATOM 1974 C TYR A 131 -7.996 -9.101 4.992 1.00 0.00 C ATOM 1975 O TYR A 131 -8.583 -10.174 4.955 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.961 -7.275 3.211 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.547 -8.366 2.200 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.505 -9.060 1.465 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.211 -8.745 2.051 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.148 -10.074 0.611 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.857 -9.772 1.208 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.829 -10.434 0.492 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.481 -11.479 -0.322 1.00 0.00 O ATOM 0 H TYR A 131 -8.295 -5.928 5.298 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.710 -8.071 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.615 -6.560 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.071 -6.728 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.547 -8.796 1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.445 -8.224 2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.903 -10.587 0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.820 -10.058 1.108 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.152 -11.132 -1.177 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.756 -8.947 5.486 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.903 -10.080 5.910 1.00 0.00 C ATOM 1995 C VAL A 132 -6.489 -10.769 7.169 1.00 0.00 C ATOM 1996 O VAL A 132 -6.431 -11.998 7.301 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.420 -9.604 6.181 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.504 -10.779 6.579 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.839 -8.849 4.963 1.00 0.00 C ATOM 0 H VAL A 132 -6.313 -8.036 5.604 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.884 -10.806 5.097 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.458 -8.913 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.494 -10.409 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.884 -11.245 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.485 -11.514 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.818 -8.535 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.838 -9.507 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.451 -7.972 4.753 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.092 -9.963 8.057 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.679 -10.443 9.323 1.00 0.00 C ATOM 2011 C GLU A 133 -8.973 -11.246 9.069 1.00 0.00 C ATOM 2012 O GLU A 133 -9.171 -12.319 9.646 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.979 -9.242 10.274 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.774 -8.341 10.629 1.00 0.00 C ATOM 2015 CD GLU A 133 -5.684 -9.060 11.434 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -5.786 -9.106 12.686 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -4.733 -9.589 10.830 1.00 0.00 O ATOM 0 H GLU A 133 -7.188 -8.957 7.919 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.953 -11.103 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.747 -8.622 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -8.400 -9.634 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.338 -7.953 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -7.129 -7.483 11.200 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.843 -10.723 8.182 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.154 -11.350 7.858 1.00 0.00 C ATOM 2026 C ALA A 134 -10.963 -12.555 6.929 1.00 0.00 C ATOM 2027 O ALA A 134 -11.789 -13.475 6.904 1.00 0.00 O ATOM 2028 CB ALA A 134 -12.110 -10.328 7.224 1.00 0.00 C ATOM 0 H ALA A 134 -9.665 -9.859 7.669 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.599 -11.700 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.060 -10.811 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -12.278 -9.506 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.671 -9.941 6.305 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.863 -12.529 6.163 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.454 -13.652 5.316 1.00 0.00 C ATOM 2036 C ALA A 135 -9.012 -14.823 6.202 1.00 0.00 C ATOM 2037 O ALA A 135 -9.493 -15.951 6.061 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.314 -13.223 4.373 1.00 0.00 C ATOM 0 H ALA A 135 -9.234 -11.728 6.115 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.298 -13.969 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.020 -14.067 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.655 -12.405 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.459 -12.893 4.963 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.089 -14.525 7.131 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.514 -15.530 8.035 1.00 0.00 C ATOM 2046 C GLY A 136 -6.298 -16.225 7.445 1.00 0.00 C ATOM 2047 O GLY A 136 -5.352 -16.523 8.178 1.00 0.00 O ATOM 0 H GLY A 136 -7.723 -13.584 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.233 -15.050 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.273 -16.275 8.273 1.00 0.00 H new ATOM 2051 N LEU A 137 -6.358 -16.502 6.115 1.00 0.00 N ATOM 2052 CA LEU A 137 -5.292 -17.147 5.321 1.00 0.00 C ATOM 2053 C LEU A 137 -4.993 -18.566 5.866 1.00 0.00 C ATOM 2054 O LEU A 137 -4.362 -18.718 6.912 1.00 0.00 O ATOM 2055 CB LEU A 137 -4.022 -16.241 5.239 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.247 -14.784 4.702 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.924 -13.992 4.616 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.986 -14.784 3.345 1.00 0.00 C ATOM 0 H LEU A 137 -7.178 -16.273 5.554 1.00 0.00 H new ATOM 0 HA LEU A 137 -5.641 -17.270 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.582 -16.176 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.290 -16.733 4.599 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.885 -14.276 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.124 -12.989 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.475 -13.925 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.238 -14.502 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.123 -13.757 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.398 -15.333 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.959 -15.261 3.461 1.00 0.00 H new