USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 867 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 37 THR OG1 : rot 21:sc= 0.226! USER MOD Set 1.2: A 118 ASN : amide:sc= 0 X(o=0.23,f=0.11) USER MOD Set 2.1: A 76 MET CE :methyl 136:sc= -0.973 (180deg=-2.28!) USER MOD Set 2.2: A 83 SER OG : rot 14:sc= -0.654 USER MOD Set 3.1: A 67 LYS NZ :NH3+ -164:sc= -0.0303 (180deg=-0.244) USER MOD Set 3.2: A 68 CYS SG : rot -130:sc= -0.527 USER MOD Set 4.1: A 27 HIS :FLIP no HD1:sc= -6.4! C(o=-7!,f=-6.3!) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.0626 K(o=-6.3,f=-8.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.97 F(o=-2.4!,f=-0.97) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 80:sc= 0.315 USER MOD Single : A 43 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.958 X(o=-0.96,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.7!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 93 SER OG : rot 173:sc= -0.0368 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -0.533 (180deg=-0.563) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 0.852 USER MOD Single : A 101 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.2!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.077) USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0363) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.065) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -13.823 26.144 10.653 1.00 0.00 N ATOM 2 CA GLY A 18 -14.108 24.772 11.032 1.00 0.00 C ATOM 3 C GLY A 18 -12.934 23.846 10.783 1.00 0.00 C ATOM 4 O GLY A 18 -11.786 24.202 11.050 1.00 0.00 O ATOM 0 HA2 GLY A 18 -14.376 24.738 12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.973 24.416 10.472 1.00 0.00 H new ATOM 8 N SER A 19 -13.222 22.652 10.274 1.00 0.00 N ATOM 9 CA SER A 19 -12.182 21.670 9.993 1.00 0.00 C ATOM 10 C SER A 19 -12.367 21.062 8.607 1.00 0.00 C ATOM 11 O SER A 19 -13.492 20.908 8.130 1.00 0.00 O ATOM 12 CB SER A 19 -12.195 20.566 11.053 1.00 0.00 C ATOM 13 OG SER A 19 -12.112 21.111 12.359 1.00 0.00 O ATOM 0 H SER A 19 -14.167 22.342 10.048 1.00 0.00 H new ATOM 0 HA SER A 19 -11.219 22.180 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.108 19.978 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.359 19.887 10.885 1.00 0.00 H new ATOM 0 HG SER A 19 -12.124 20.385 13.018 1.00 0.00 H new ATOM 19 N SER A 20 -11.255 20.718 7.966 1.00 0.00 N ATOM 20 CA SER A 20 -11.294 20.129 6.630 1.00 0.00 C ATOM 21 C SER A 20 -11.950 18.752 6.663 1.00 0.00 C ATOM 22 O SER A 20 -12.962 18.519 6.003 1.00 0.00 O ATOM 23 CB SER A 20 -9.879 20.020 6.058 1.00 0.00 C ATOM 24 OG SER A 20 -9.303 21.301 5.873 1.00 0.00 O ATOM 0 H SER A 20 -10.317 20.836 8.348 1.00 0.00 H new ATOM 0 HA SER A 20 -11.889 20.780 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.256 19.432 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.908 19.490 5.106 1.00 0.00 H new ATOM 0 HG SER A 20 -8.399 21.203 5.508 1.00 0.00 H new ATOM 30 N GLY A 21 -11.365 17.843 7.437 1.00 0.00 N ATOM 31 CA GLY A 21 -11.906 16.500 7.541 1.00 0.00 C ATOM 32 C GLY A 21 -10.880 15.498 8.033 1.00 0.00 C ATOM 33 O GLY A 21 -9.687 15.797 8.084 1.00 0.00 O ATOM 0 H GLY A 21 -10.527 18.012 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.758 16.506 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.278 16.185 6.566 1.00 0.00 H new ATOM 37 N SER A 22 -11.345 14.308 8.398 1.00 0.00 N ATOM 38 CA SER A 22 -10.459 13.261 8.893 1.00 0.00 C ATOM 39 C SER A 22 -10.357 12.116 7.889 1.00 0.00 C ATOM 40 O SER A 22 -11.355 11.698 7.304 1.00 0.00 O ATOM 41 CB SER A 22 -10.963 12.732 10.237 1.00 0.00 C ATOM 42 OG SER A 22 -10.315 11.520 10.583 1.00 0.00 O ATOM 0 H SER A 22 -12.330 14.045 8.360 1.00 0.00 H new ATOM 0 HA SER A 22 -9.467 13.692 9.028 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.787 13.477 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.040 12.571 10.187 1.00 0.00 H new ATOM 0 HG SER A 22 -10.653 11.203 11.447 1.00 0.00 H new ATOM 48 N SER A 23 -9.142 11.613 7.695 1.00 0.00 N ATOM 49 CA SER A 23 -8.907 10.520 6.760 1.00 0.00 C ATOM 50 C SER A 23 -8.063 9.426 7.406 1.00 0.00 C ATOM 51 O SER A 23 -7.136 8.897 6.793 1.00 0.00 O ATOM 52 CB SER A 23 -8.212 11.040 5.500 1.00 0.00 C ATOM 53 OG SER A 23 -8.934 12.114 4.925 1.00 0.00 O ATOM 0 H SER A 23 -8.305 11.946 8.173 1.00 0.00 H new ATOM 0 HA SER A 23 -9.872 10.095 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.202 11.368 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.116 10.232 4.774 1.00 0.00 H new ATOM 0 HG SER A 23 -8.468 12.429 4.123 1.00 0.00 H new ATOM 59 N GLY A 24 -8.391 9.090 8.650 1.00 0.00 N ATOM 60 CA GLY A 24 -7.654 8.060 9.359 1.00 0.00 C ATOM 61 C GLY A 24 -8.044 6.661 8.922 1.00 0.00 C ATOM 62 O GLY A 24 -9.228 6.333 8.856 1.00 0.00 O ATOM 0 H GLY A 24 -9.154 9.513 9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.586 8.204 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.829 8.165 10.430 1.00 0.00 H new ATOM 66 N ALA A 25 -7.046 5.838 8.621 1.00 0.00 N ATOM 67 CA ALA A 25 -7.291 4.468 8.188 1.00 0.00 C ATOM 68 C ALA A 25 -8.188 3.731 9.177 1.00 0.00 C ATOM 69 O ALA A 25 -8.581 4.283 10.205 1.00 0.00 O ATOM 70 CB ALA A 25 -5.974 3.725 8.012 1.00 0.00 C ATOM 0 H ALA A 25 -6.060 6.096 8.669 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.806 4.504 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.173 2.703 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.368 4.232 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.437 3.707 8.960 1.00 0.00 H new ATOM 76 N LYS A 26 -8.508 2.481 8.860 1.00 0.00 N ATOM 77 CA LYS A 26 -9.357 1.667 9.722 1.00 0.00 C ATOM 78 C LYS A 26 -8.694 1.430 11.075 1.00 0.00 C ATOM 79 O LYS A 26 -9.361 1.093 12.053 1.00 0.00 O ATOM 80 CB LYS A 26 -9.664 0.326 9.050 1.00 0.00 C ATOM 81 CG LYS A 26 -10.214 -0.720 10.005 1.00 0.00 C ATOM 82 CD LYS A 26 -11.631 -0.387 10.441 1.00 0.00 C ATOM 83 CE LYS A 26 -11.990 -1.081 11.745 1.00 0.00 C ATOM 84 NZ LYS A 26 -11.994 -2.563 11.603 1.00 0.00 N ATOM 0 H LYS A 26 -8.192 2.009 8.012 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.289 2.207 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.384 0.487 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.753 -0.057 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.201 -1.697 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.569 -0.789 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.732 0.692 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.332 -0.687 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.278 -0.792 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.973 -0.745 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.243 -2.998 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.692 -2.841 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.049 -2.886 11.312 1.00 0.00 H new ATOM 98 N HIS A 27 -7.378 1.611 11.123 1.00 0.00 N ATOM 99 CA HIS A 27 -6.625 1.418 12.357 1.00 0.00 C ATOM 100 C HIS A 27 -5.749 2.632 12.653 1.00 0.00 C ATOM 101 O HIS A 27 -5.384 3.384 11.749 1.00 0.00 O ATOM 102 CB HIS A 27 -5.760 0.161 12.260 1.00 0.00 C ATOM 103 CG HIS A 27 -5.277 -0.129 10.872 1.00 0.00 C ATOM 104 ND1 HIS A 27 -5.936 -0.138 9.690 1.00 0.00 N flip ATOM 105 CD2 HIS A 27 -3.970 -0.460 10.584 1.00 0.00 C flip ATOM 106 CE1 HIS A 27 -5.025 -0.470 8.718 1.00 0.00 C flip ATOM 107 NE2 HIS A 27 -3.845 -0.659 9.284 1.00 0.00 N flip ATOM 0 H HIS A 27 -6.811 1.891 10.322 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.337 1.297 13.174 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.899 0.271 12.920 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.333 -0.693 12.622 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.173 -0.544 11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.237 -0.562 7.663 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.985 -0.915 8.799 1.00 0.00 H new ATOM 115 N THR A 28 -5.414 2.818 13.927 1.00 0.00 N ATOM 116 CA THR A 28 -4.584 3.941 14.342 1.00 0.00 C ATOM 117 C THR A 28 -3.107 3.648 14.107 1.00 0.00 C ATOM 118 O THR A 28 -2.256 3.996 14.927 1.00 0.00 O ATOM 119 CB THR A 28 -4.798 4.278 15.829 1.00 0.00 C ATOM 120 OG1 THR A 28 -6.138 3.954 16.217 1.00 0.00 O ATOM 121 CG2 THR A 28 -4.532 5.752 16.095 1.00 0.00 C ATOM 0 H THR A 28 -5.705 2.205 14.688 1.00 0.00 H new ATOM 0 HA THR A 28 -4.883 4.797 13.737 1.00 0.00 H new ATOM 0 HB THR A 28 -4.096 3.686 16.416 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.265 4.170 17.164 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.690 5.965 17.152 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.503 5.990 15.827 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.213 6.358 15.497 1.00 0.00 H new ATOM 129 N LEU A 29 -2.806 3.007 12.982 1.00 0.00 N ATOM 130 CA LEU A 29 -1.430 2.667 12.640 1.00 0.00 C ATOM 131 C LEU A 29 -0.862 3.656 11.626 1.00 0.00 C ATOM 132 O LEU A 29 0.338 3.933 11.617 1.00 0.00 O ATOM 133 CB LEU A 29 -1.359 1.247 12.078 1.00 0.00 C ATOM 134 CG LEU A 29 -1.191 0.127 13.105 1.00 0.00 C ATOM 135 CD1 LEU A 29 -2.512 -0.164 13.799 1.00 0.00 C ATOM 136 CD2 LEU A 29 -0.647 -1.130 12.440 1.00 0.00 C ATOM 0 H LEU A 29 -3.497 2.713 12.292 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.831 2.721 13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.269 1.057 11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.527 1.197 11.376 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.474 0.455 13.857 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.372 -0.964 14.526 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.860 0.734 14.309 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.252 -0.471 13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.534 -1.916 13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.339 -1.461 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.322 -0.914 11.991 1.00 0.00 H new ATOM 148 N LEU A 30 -1.732 4.187 10.774 1.00 0.00 N ATOM 149 CA LEU A 30 -1.319 5.148 9.756 1.00 0.00 C ATOM 150 C LEU A 30 -1.156 6.541 10.357 1.00 0.00 C ATOM 151 O LEU A 30 -0.439 7.381 9.814 1.00 0.00 O ATOM 152 CB LEU A 30 -2.340 5.186 8.618 1.00 0.00 C ATOM 153 CG LEU A 30 -2.490 3.899 7.808 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.169 3.519 7.157 1.00 0.00 C ATOM 155 CD2 LEU A 30 -2.996 2.768 8.692 1.00 0.00 C ATOM 0 H LEU A 30 -2.728 3.969 10.768 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.355 4.829 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.313 5.443 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.065 5.991 7.936 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.222 4.073 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.296 2.600 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.848 4.320 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.414 3.364 7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.097 1.859 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.288 2.595 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.966 3.038 9.109 1.00 0.00 H new ATOM 167 N ARG A 31 -1.823 6.776 11.482 1.00 0.00 N ATOM 168 CA ARG A 31 -1.752 8.066 12.156 1.00 0.00 C ATOM 169 C ARG A 31 -0.653 8.066 13.214 1.00 0.00 C ATOM 170 O ARG A 31 0.061 9.055 13.384 1.00 0.00 O ATOM 171 CB ARG A 31 -3.097 8.402 12.803 1.00 0.00 C ATOM 172 CG ARG A 31 -3.314 9.892 13.017 1.00 0.00 C ATOM 173 CD ARG A 31 -4.787 10.260 12.923 1.00 0.00 C ATOM 174 NE ARG A 31 -5.197 10.529 11.547 1.00 0.00 N ATOM 175 CZ ARG A 31 -4.947 11.670 10.917 1.00 0.00 C ATOM 176 NH1 ARG A 31 -4.292 12.644 11.535 1.00 0.00 N ATOM 177 NH2 ARG A 31 -5.353 11.840 9.664 1.00 0.00 N ATOM 0 H ARG A 31 -2.419 6.090 11.946 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.515 8.825 11.410 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.899 8.013 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.166 7.892 13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.928 10.180 13.995 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.749 10.454 12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.390 9.448 13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.981 11.139 13.538 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.703 9.800 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.979 12.517 12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.102 13.520 11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.857 11.093 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.161 12.717 9.180 1.00 0.00 H new ATOM 191 N HIS A 32 -0.522 6.950 13.925 1.00 0.00 N ATOM 192 CA HIS A 32 0.490 6.822 14.967 1.00 0.00 C ATOM 193 C HIS A 32 1.894 6.879 14.371 1.00 0.00 C ATOM 194 O HIS A 32 2.861 7.188 15.066 1.00 0.00 O ATOM 195 CB HIS A 32 0.302 5.511 15.731 1.00 0.00 C ATOM 196 CG HIS A 32 1.575 4.958 16.295 1.00 0.00 C ATOM 197 ND1 HIS A 32 2.523 5.534 17.070 1.00 0.00 N flip ATOM 198 CD2 HIS A 32 1.993 3.662 16.080 1.00 0.00 C flip ATOM 199 CE1 HIS A 32 3.487 4.586 17.307 1.00 0.00 C flip ATOM 200 NE2 HIS A 32 3.144 3.465 16.699 1.00 0.00 N flip ATOM 0 H HIS A 32 -1.104 6.122 13.798 1.00 0.00 H new ATOM 0 HA HIS A 32 0.373 7.657 15.657 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.406 5.672 16.544 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.141 4.772 15.064 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.463 2.923 15.497 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.381 4.733 17.895 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.677 2.595 16.706 1.00 0.00 H new ATOM 208 N GLU A 33 1.996 6.579 13.080 1.00 0.00 N ATOM 209 CA GLU A 33 3.282 6.595 12.393 1.00 0.00 C ATOM 210 C GLU A 33 3.551 7.964 11.776 1.00 0.00 C ATOM 211 O GLU A 33 4.702 8.348 11.568 1.00 0.00 O ATOM 212 CB GLU A 33 3.318 5.518 11.306 1.00 0.00 C ATOM 213 CG GLU A 33 3.385 4.103 11.853 1.00 0.00 C ATOM 214 CD GLU A 33 4.637 3.853 12.673 1.00 0.00 C ATOM 215 OE1 GLU A 33 4.717 4.369 13.807 1.00 0.00 O ATOM 216 OE2 GLU A 33 5.535 3.141 12.178 1.00 0.00 O ATOM 0 H GLU A 33 1.205 6.322 12.490 1.00 0.00 H new ATOM 0 HA GLU A 33 4.060 6.386 13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.430 5.615 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.181 5.691 10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.507 3.914 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.350 3.395 11.025 1.00 0.00 H new ATOM 223 N GLY A 34 2.481 8.697 11.485 1.00 0.00 N ATOM 224 CA GLY A 34 2.622 10.016 10.895 1.00 0.00 C ATOM 225 C GLY A 34 2.427 10.001 9.391 1.00 0.00 C ATOM 226 O GLY A 34 2.795 10.954 8.702 1.00 0.00 O ATOM 0 H GLY A 34 1.518 8.401 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.896 10.692 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.611 10.411 11.126 1.00 0.00 H new ATOM 230 N ILE A 35 1.850 8.919 8.881 1.00 0.00 N ATOM 231 CA ILE A 35 1.609 8.785 7.450 1.00 0.00 C ATOM 232 C ILE A 35 0.370 9.567 7.026 1.00 0.00 C ATOM 233 O ILE A 35 -0.747 9.242 7.426 1.00 0.00 O ATOM 234 CB ILE A 35 1.435 7.310 7.045 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.763 6.562 7.174 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.903 7.210 5.623 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.700 5.129 6.695 1.00 0.00 C ATOM 0 H ILE A 35 1.541 8.122 9.437 1.00 0.00 H new ATOM 0 HA ILE A 35 2.484 9.192 6.943 1.00 0.00 H new ATOM 0 HB ILE A 35 0.712 6.848 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.526 7.093 6.605 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.077 6.574 8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.785 6.161 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.063 7.712 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.605 7.686 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.677 4.661 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.961 4.582 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.417 5.109 5.643 1.00 0.00 H new ATOM 249 N GLU A 36 0.578 10.598 6.213 1.00 0.00 N ATOM 250 CA GLU A 36 -0.524 11.425 5.734 1.00 0.00 C ATOM 251 C GLU A 36 -0.971 10.984 4.344 1.00 0.00 C ATOM 252 O GLU A 36 -0.196 11.024 3.387 1.00 0.00 O ATOM 253 CB GLU A 36 -0.108 12.898 5.705 1.00 0.00 C ATOM 254 CG GLU A 36 0.157 13.484 7.082 1.00 0.00 C ATOM 255 CD GLU A 36 0.992 14.748 7.028 1.00 0.00 C ATOM 256 OE1 GLU A 36 0.582 15.700 6.330 1.00 0.00 O ATOM 257 OE2 GLU A 36 2.055 14.786 7.681 1.00 0.00 O ATOM 0 H GLU A 36 1.497 10.880 5.873 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.362 11.304 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.791 13.001 5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.891 13.478 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.794 13.702 7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.667 12.742 7.696 1.00 0.00 H new ATOM 264 N THR A 37 -2.227 10.562 4.240 1.00 0.00 N ATOM 265 CA THR A 37 -2.779 10.111 2.968 1.00 0.00 C ATOM 266 C THR A 37 -3.884 11.044 2.486 1.00 0.00 C ATOM 267 O THR A 37 -4.766 11.427 3.254 1.00 0.00 O ATOM 268 CB THR A 37 -3.341 8.681 3.075 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.524 8.679 3.883 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.310 7.737 3.676 1.00 0.00 C ATOM 0 H THR A 37 -2.882 10.523 5.021 1.00 0.00 H new ATOM 0 HA THR A 37 -1.961 10.119 2.248 1.00 0.00 H new ATOM 0 HB THR A 37 -3.586 8.335 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.897 9.584 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.730 6.733 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.422 7.718 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.038 8.082 4.674 1.00 0.00 H new ATOM 278 N VAL A 38 -3.829 11.408 1.209 1.00 0.00 N ATOM 279 CA VAL A 38 -4.826 12.295 0.623 1.00 0.00 C ATOM 280 C VAL A 38 -6.081 11.526 0.226 1.00 0.00 C ATOM 281 O VAL A 38 -6.182 10.321 0.457 1.00 0.00 O ATOM 282 CB VAL A 38 -4.271 13.025 -0.615 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.123 13.942 -0.224 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.828 12.021 -1.670 1.00 0.00 C ATOM 0 H VAL A 38 -3.104 11.102 0.560 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.081 13.031 1.385 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.065 13.639 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.744 14.449 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.477 14.682 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.324 13.353 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.439 12.553 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.049 11.380 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.679 11.410 -1.971 1.00 0.00 H new ATOM 294 N SER A 39 -7.036 12.231 -0.373 1.00 0.00 N ATOM 295 CA SER A 39 -8.287 11.615 -0.800 1.00 0.00 C ATOM 296 C SER A 39 -8.278 11.351 -2.303 1.00 0.00 C ATOM 297 O SER A 39 -8.646 10.268 -2.756 1.00 0.00 O ATOM 298 CB SER A 39 -9.472 12.512 -0.436 1.00 0.00 C ATOM 299 OG SER A 39 -10.679 11.770 -0.396 1.00 0.00 O ATOM 0 H SER A 39 -6.967 13.229 -0.573 1.00 0.00 H new ATOM 0 HA SER A 39 -8.389 10.662 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.295 12.978 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.560 13.317 -1.165 1.00 0.00 H new ATOM 0 HG SER A 39 -11.421 12.365 -0.160 1.00 0.00 H new ATOM 305 N TYR A 40 -7.852 12.349 -3.069 1.00 0.00 N ATOM 306 CA TYR A 40 -7.797 12.226 -4.521 1.00 0.00 C ATOM 307 C TYR A 40 -6.880 11.080 -4.937 1.00 0.00 C ATOM 308 O TYR A 40 -6.069 10.601 -4.146 1.00 0.00 O ATOM 309 CB TYR A 40 -7.310 13.535 -5.146 1.00 0.00 C ATOM 310 CG TYR A 40 -5.892 13.897 -4.763 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.614 14.498 -3.541 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.832 13.641 -5.624 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.321 14.832 -3.188 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.536 13.969 -5.278 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.285 14.566 -4.060 1.00 0.00 C ATOM 316 OH TYR A 40 -1.995 14.896 -3.712 1.00 0.00 O ATOM 0 H TYR A 40 -7.540 13.251 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.803 12.011 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.376 13.457 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.977 14.343 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.422 14.707 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.025 13.178 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.122 15.299 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.723 13.759 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.386 14.641 -4.436 1.00 0.00 H new ATOM 326 N ALA A 41 -7.017 10.645 -6.186 1.00 0.00 N ATOM 327 CA ALA A 41 -6.200 9.557 -6.708 1.00 0.00 C ATOM 328 C ALA A 41 -4.726 9.944 -6.744 1.00 0.00 C ATOM 329 O ALA A 41 -4.379 11.083 -7.059 1.00 0.00 O ATOM 330 CB ALA A 41 -6.676 9.160 -8.098 1.00 0.00 C ATOM 0 H ALA A 41 -7.685 11.029 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.308 8.703 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.057 8.346 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.714 8.833 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.598 10.016 -8.768 1.00 0.00 H new ATOM 336 N THR A 42 -3.859 8.990 -6.417 1.00 0.00 N ATOM 337 CA THR A 42 -2.422 9.232 -6.410 1.00 0.00 C ATOM 338 C THR A 42 -1.657 8.012 -6.908 1.00 0.00 C ATOM 339 O THR A 42 -1.839 6.905 -6.402 1.00 0.00 O ATOM 340 CB THR A 42 -1.921 9.598 -5.000 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.353 8.612 -4.055 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.435 10.967 -4.581 1.00 0.00 C ATOM 0 H THR A 42 -4.128 8.042 -6.153 1.00 0.00 H new ATOM 0 HA THR A 42 -2.239 10.071 -7.082 1.00 0.00 H new ATOM 0 HB THR A 42 -0.832 9.627 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.762 7.832 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.068 11.203 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.081 11.720 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.525 10.960 -4.575 1.00 0.00 H new ATOM 350 N GLN A 43 -0.799 8.223 -7.901 1.00 0.00 N ATOM 351 CA GLN A 43 -0.006 7.138 -8.467 1.00 0.00 C ATOM 352 C GLN A 43 0.587 6.265 -7.367 1.00 0.00 C ATOM 353 O GLN A 43 0.729 5.054 -7.531 1.00 0.00 O ATOM 354 CB GLN A 43 1.113 7.702 -9.347 1.00 0.00 C ATOM 355 CG GLN A 43 0.710 7.883 -10.802 1.00 0.00 C ATOM 356 CD GLN A 43 1.902 8.079 -11.717 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.534 9.136 -11.715 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.218 7.059 -12.506 1.00 0.00 N ATOM 0 H GLN A 43 -0.635 9.134 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.664 6.521 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.431 8.664 -8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.974 7.035 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.145 7.011 -11.130 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.046 8.743 -10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.667 6.201 -12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.012 7.133 -13.143 1.00 0.00 H new ATOM 367 N SER A 44 0.934 6.890 -6.246 1.00 0.00 N ATOM 368 CA SER A 44 1.516 6.171 -5.118 1.00 0.00 C ATOM 369 C SER A 44 0.426 5.656 -4.182 1.00 0.00 C ATOM 370 O SER A 44 -0.661 6.228 -4.101 1.00 0.00 O ATOM 371 CB SER A 44 2.479 7.077 -4.350 1.00 0.00 C ATOM 372 OG SER A 44 3.533 7.524 -5.184 1.00 0.00 O ATOM 0 H SER A 44 0.822 7.892 -6.095 1.00 0.00 H new ATOM 0 HA SER A 44 2.068 5.316 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.937 7.935 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.890 6.536 -3.497 1.00 0.00 H new ATOM 0 HG SER A 44 4.134 8.103 -4.670 1.00 0.00 H new ATOM 378 N LEU A 45 0.727 4.573 -3.474 1.00 0.00 N ATOM 379 CA LEU A 45 -0.225 3.979 -2.542 1.00 0.00 C ATOM 380 C LEU A 45 0.494 3.376 -1.340 1.00 0.00 C ATOM 381 O LEU A 45 1.655 2.975 -1.434 1.00 0.00 O ATOM 382 CB LEU A 45 -1.055 2.904 -3.246 1.00 0.00 C ATOM 383 CG LEU A 45 -1.975 3.394 -4.365 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.390 2.236 -5.259 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.200 4.086 -3.785 1.00 0.00 C ATOM 0 H LEU A 45 1.623 4.088 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.889 4.768 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.374 2.161 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.664 2.395 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.426 4.116 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.044 2.603 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.503 1.783 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.920 1.491 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.843 4.428 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.750 3.386 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.886 4.941 -3.186 1.00 0.00 H new ATOM 397 N VAL A 46 -0.203 3.310 -0.211 1.00 0.00 N ATOM 398 CA VAL A 46 0.367 2.752 1.010 1.00 0.00 C ATOM 399 C VAL A 46 -0.406 1.520 1.465 1.00 0.00 C ATOM 400 O VAL A 46 -1.610 1.586 1.714 1.00 0.00 O ATOM 401 CB VAL A 46 0.376 3.789 2.150 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.043 4.187 2.521 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.120 3.243 3.360 1.00 0.00 C ATOM 0 H VAL A 46 -1.165 3.636 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 46 1.394 2.468 0.779 1.00 0.00 H new ATOM 0 HB VAL A 46 0.898 4.681 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.016 4.920 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.538 4.621 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.594 3.306 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.117 3.988 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.628 2.336 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.149 3.014 3.082 1.00 0.00 H new ATOM 413 N VAL A 47 0.293 0.395 1.571 1.00 0.00 N ATOM 414 CA VAL A 47 -0.326 -0.854 1.997 1.00 0.00 C ATOM 415 C VAL A 47 -0.393 -0.944 3.517 1.00 0.00 C ATOM 416 O VAL A 47 0.634 -0.932 4.195 1.00 0.00 O ATOM 417 CB VAL A 47 0.440 -2.075 1.455 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.445 -3.312 1.471 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.958 -1.798 0.052 1.00 0.00 C ATOM 0 H VAL A 47 1.290 0.323 1.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.337 -0.860 1.590 1.00 0.00 H new ATOM 0 HB VAL A 47 1.296 -2.262 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.114 -4.164 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.762 -3.519 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.322 -3.140 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.497 -2.671 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.119 -1.584 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.630 -0.940 0.075 1.00 0.00 H new ATOM 429 N ALA A 48 -1.609 -1.032 4.047 1.00 0.00 N ATOM 430 CA ALA A 48 -1.809 -1.127 5.488 1.00 0.00 C ATOM 431 C ALA A 48 -1.889 -2.582 5.936 1.00 0.00 C ATOM 432 O ALA A 48 -2.186 -3.471 5.141 1.00 0.00 O ATOM 433 CB ALA A 48 -3.069 -0.377 5.895 1.00 0.00 C ATOM 0 H ALA A 48 -2.470 -1.039 3.500 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.951 -0.670 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.207 -0.456 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.973 0.673 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.930 -0.810 5.387 1.00 0.00 H new ATOM 439 N ASN A 49 -1.619 -2.816 7.217 1.00 0.00 N ATOM 440 CA ASN A 49 -1.658 -4.164 7.771 1.00 0.00 C ATOM 441 C ASN A 49 -0.773 -5.110 6.966 1.00 0.00 C ATOM 442 O ASN A 49 -1.011 -6.316 6.926 1.00 0.00 O ATOM 443 CB ASN A 49 -3.096 -4.688 7.793 1.00 0.00 C ATOM 444 CG ASN A 49 -3.958 -3.966 8.811 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.469 -3.513 9.847 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.250 -3.856 8.520 1.00 0.00 N ATOM 0 H ASN A 49 -1.371 -2.090 7.889 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.278 -4.121 8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.536 -4.575 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.088 -5.754 8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.880 -3.381 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.612 -4.246 7.650 1.00 0.00 H new ATOM 453 N GLY A 50 0.249 -4.553 6.324 1.00 0.00 N ATOM 454 CA GLY A 50 1.156 -5.361 5.529 1.00 0.00 C ATOM 455 C GLY A 50 2.610 -5.104 5.867 1.00 0.00 C ATOM 456 O GLY A 50 3.005 -5.165 7.030 1.00 0.00 O ATOM 0 H GLY A 50 0.465 -3.556 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.931 -6.416 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.990 -5.154 4.472 1.00 0.00 H new ATOM 460 N GLY A 51 3.411 -4.817 4.845 1.00 0.00 N ATOM 461 CA GLY A 51 4.823 -4.555 5.059 1.00 0.00 C ATOM 462 C GLY A 51 5.564 -5.769 5.585 1.00 0.00 C ATOM 463 O GLY A 51 4.974 -6.630 6.241 1.00 0.00 O ATOM 0 H GLY A 51 3.107 -4.761 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.276 -4.235 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.934 -3.731 5.764 1.00 0.00 H new ATOM 467 N LEU A 52 6.858 -5.840 5.297 1.00 0.00 N ATOM 468 CA LEU A 52 7.680 -6.960 5.743 1.00 0.00 C ATOM 469 C LEU A 52 7.373 -7.317 7.194 1.00 0.00 C ATOM 470 O LEU A 52 7.110 -8.474 7.517 1.00 0.00 O ATOM 471 CB LEU A 52 9.165 -6.619 5.594 1.00 0.00 C ATOM 472 CG LEU A 52 9.628 -6.242 4.187 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.999 -5.584 4.234 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.654 -7.470 3.287 1.00 0.00 C ATOM 0 H LEU A 52 7.361 -5.136 4.757 1.00 0.00 H new ATOM 0 HA LEU A 52 7.446 -7.822 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.397 -5.792 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.750 -7.475 5.930 1.00 0.00 H new ATOM 0 HG LEU A 52 8.919 -5.526 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.312 -5.323 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.949 -4.681 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.720 -6.276 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.986 -7.183 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.341 -8.209 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.654 -7.899 3.227 1.00 0.00 H new ATOM 486 N GLY A 53 7.405 -6.313 8.065 1.00 0.00 N ATOM 487 CA GLY A 53 7.126 -6.541 9.471 1.00 0.00 C ATOM 488 C GLY A 53 5.990 -7.521 9.684 1.00 0.00 C ATOM 489 O GLY A 53 5.995 -8.288 10.645 1.00 0.00 O ATOM 0 H GLY A 53 7.619 -5.346 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.024 -6.918 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.878 -5.593 9.948 1.00 0.00 H new ATOM 493 N ASN A 54 5.010 -7.494 8.786 1.00 0.00 N ATOM 494 CA ASN A 54 3.860 -8.386 8.882 1.00 0.00 C ATOM 495 C ASN A 54 4.124 -9.696 8.145 1.00 0.00 C ATOM 496 O ASN A 54 3.218 -10.278 7.551 1.00 0.00 O ATOM 497 CB ASN A 54 2.613 -7.708 8.310 1.00 0.00 C ATOM 498 CG ASN A 54 1.329 -8.320 8.836 1.00 0.00 C ATOM 499 OD1 ASN A 54 1.192 -9.542 8.901 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.381 -7.470 9.214 1.00 0.00 N ATOM 0 H ASN A 54 4.989 -6.864 7.984 1.00 0.00 H new ATOM 0 HA ASN A 54 3.693 -8.610 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.634 -6.647 8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.629 -7.782 7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.505 -7.822 9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.539 -6.465 9.142 1.00 0.00 H new ATOM 507 N GLY A 55 5.372 -10.152 8.189 1.00 0.00 N ATOM 508 CA GLY A 55 5.733 -11.390 7.523 1.00 0.00 C ATOM 509 C GLY A 55 5.285 -11.420 6.075 1.00 0.00 C ATOM 510 O GLY A 55 5.089 -12.491 5.500 1.00 0.00 O ATOM 0 H GLY A 55 6.139 -9.686 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.814 -11.522 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.287 -12.230 8.056 1.00 0.00 H new ATOM 514 N VAL A 56 5.121 -10.241 5.483 1.00 0.00 N ATOM 515 CA VAL A 56 4.692 -10.136 4.092 1.00 0.00 C ATOM 516 C VAL A 56 5.870 -9.824 3.176 1.00 0.00 C ATOM 517 O VAL A 56 6.412 -8.719 3.199 1.00 0.00 O ATOM 518 CB VAL A 56 3.617 -9.048 3.918 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.268 -8.874 2.447 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.377 -9.388 4.731 1.00 0.00 C ATOM 0 H VAL A 56 5.279 -9.345 5.944 1.00 0.00 H new ATOM 0 HA VAL A 56 4.268 -11.102 3.817 1.00 0.00 H new ATOM 0 HB VAL A 56 4.017 -8.104 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.507 -8.101 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.160 -8.581 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.887 -9.815 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.628 -8.608 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.972 -10.342 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.642 -9.458 5.786 1.00 0.00 H new ATOM 530 N SER A 57 6.262 -10.806 2.372 1.00 0.00 N ATOM 531 CA SER A 57 7.380 -10.638 1.449 1.00 0.00 C ATOM 532 C SER A 57 6.941 -9.886 0.195 1.00 0.00 C ATOM 533 O SER A 57 5.750 -9.800 -0.105 1.00 0.00 O ATOM 534 CB SER A 57 7.960 -12.000 1.064 1.00 0.00 C ATOM 535 OG SER A 57 9.341 -11.899 0.762 1.00 0.00 O ATOM 0 H SER A 57 5.823 -11.726 2.340 1.00 0.00 H new ATOM 0 HA SER A 57 8.150 -10.053 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.814 -12.705 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.424 -12.397 0.202 1.00 0.00 H new ATOM 0 HG SER A 57 9.689 -12.783 0.521 1.00 0.00 H new ATOM 541 N ARG A 58 7.911 -9.343 -0.531 1.00 0.00 N ATOM 542 CA ARG A 58 7.626 -8.598 -1.751 1.00 0.00 C ATOM 543 C ARG A 58 7.035 -9.511 -2.821 1.00 0.00 C ATOM 544 O ARG A 58 6.169 -9.100 -3.592 1.00 0.00 O ATOM 545 CB ARG A 58 8.900 -7.936 -2.279 1.00 0.00 C ATOM 546 CG ARG A 58 8.806 -7.507 -3.734 1.00 0.00 C ATOM 547 CD ARG A 58 9.989 -6.640 -4.137 1.00 0.00 C ATOM 548 NE ARG A 58 10.158 -5.497 -3.245 1.00 0.00 N ATOM 549 CZ ARG A 58 11.206 -4.680 -3.288 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.169 -4.879 -4.176 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.289 -3.662 -2.442 1.00 0.00 N ATOM 0 H ARG A 58 8.902 -9.405 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 58 6.895 -7.826 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.127 -7.064 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.733 -8.630 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.766 -8.389 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.879 -6.956 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.898 -7.242 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.848 -6.285 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 58 9.433 -5.315 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.107 -5.660 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.972 -4.251 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.549 -3.506 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.093 -3.035 -2.475 1.00 0.00 H new ATOM 565 N ASN A 59 7.510 -10.752 -2.861 1.00 0.00 N ATOM 566 CA ASN A 59 7.029 -11.723 -3.837 1.00 0.00 C ATOM 567 C ASN A 59 5.630 -12.214 -3.473 1.00 0.00 C ATOM 568 O ASN A 59 5.006 -12.954 -4.232 1.00 0.00 O ATOM 569 CB ASN A 59 7.991 -12.910 -3.923 1.00 0.00 C ATOM 570 CG ASN A 59 9.181 -12.624 -4.819 1.00 0.00 C ATOM 571 OD1 ASN A 59 10.079 -11.864 -4.454 1.00 0.00 O ATOM 572 ND2 ASN A 59 9.194 -13.234 -5.998 1.00 0.00 N ATOM 0 H ASN A 59 8.227 -11.109 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 59 6.981 -11.231 -4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.344 -13.161 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.456 -13.781 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.969 -13.081 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.429 -13.856 -6.259 1.00 0.00 H new ATOM 579 N GLN A 60 5.148 -11.796 -2.307 1.00 0.00 N ATOM 580 CA GLN A 60 3.824 -12.194 -1.842 1.00 0.00 C ATOM 581 C GLN A 60 2.851 -11.021 -1.905 1.00 0.00 C ATOM 582 O GLN A 60 1.636 -11.205 -1.838 1.00 0.00 O ATOM 583 CB GLN A 60 3.903 -12.731 -0.412 1.00 0.00 C ATOM 584 CG GLN A 60 2.545 -12.886 0.254 1.00 0.00 C ATOM 585 CD GLN A 60 1.635 -13.843 -0.491 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.468 -13.738 -1.707 1.00 0.00 O ATOM 587 NE2 GLN A 60 1.041 -14.782 0.235 1.00 0.00 N ATOM 0 H GLN A 60 5.653 -11.183 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 60 3.457 -12.983 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.406 -13.698 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.518 -12.059 0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.684 -13.243 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.064 -11.910 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.208 -14.832 1.240 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.417 -15.454 -0.212 1.00 0.00 H new ATOM 596 N LEU A 61 3.393 -9.815 -2.033 1.00 0.00 N ATOM 597 CA LEU A 61 2.572 -8.611 -2.104 1.00 0.00 C ATOM 598 C LEU A 61 2.561 -8.042 -3.520 1.00 0.00 C ATOM 599 O LEU A 61 1.526 -7.592 -4.012 1.00 0.00 O ATOM 600 CB LEU A 61 3.091 -7.557 -1.124 1.00 0.00 C ATOM 601 CG LEU A 61 2.110 -6.444 -0.753 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.800 -7.032 -0.251 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.719 -5.523 0.294 1.00 0.00 C ATOM 0 H LEU A 61 4.397 -9.645 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 61 1.552 -8.881 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.400 -8.062 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.983 -7.100 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 61 1.902 -5.857 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.115 -6.225 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.355 -7.649 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.990 -7.644 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.007 -4.737 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.957 -6.097 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.630 -5.074 -0.102 1.00 0.00 H new ATOM 615 N LEU A 62 3.718 -8.068 -4.170 1.00 0.00 N ATOM 616 CA LEU A 62 3.843 -7.557 -5.531 1.00 0.00 C ATOM 617 C LEU A 62 2.858 -8.253 -6.465 1.00 0.00 C ATOM 618 O LEU A 62 2.212 -7.625 -7.306 1.00 0.00 O ATOM 619 CB LEU A 62 5.272 -7.751 -6.042 1.00 0.00 C ATOM 620 CG LEU A 62 5.448 -7.741 -7.561 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.277 -6.333 -8.109 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.810 -8.302 -7.943 1.00 0.00 C ATOM 0 H LEU A 62 4.584 -8.437 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 62 3.612 -6.492 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.898 -6.966 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.648 -8.700 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 62 4.679 -8.376 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.406 -6.346 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.279 -5.967 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.023 -5.676 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.918 -8.287 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.594 -7.693 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.895 -9.328 -7.584 1.00 0.00 H new ATOM 634 N PRO A 63 2.736 -9.580 -6.316 1.00 0.00 N ATOM 635 CA PRO A 63 1.829 -10.389 -7.135 1.00 0.00 C ATOM 636 C PRO A 63 0.432 -9.784 -7.224 1.00 0.00 C ATOM 637 O PRO A 63 -0.203 -9.812 -8.279 1.00 0.00 O ATOM 638 CB PRO A 63 1.786 -11.729 -6.398 1.00 0.00 C ATOM 639 CG PRO A 63 3.080 -11.800 -5.664 1.00 0.00 C ATOM 640 CD PRO A 63 3.474 -10.393 -5.335 1.00 0.00 C ATOM 0 HA PRO A 63 2.171 -10.466 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.939 -11.777 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.680 -12.561 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.976 -12.394 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.844 -12.282 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.202 -10.130 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.551 -10.248 -5.425 1.00 0.00 H new ATOM 648 N VAL A 64 -0.043 -9.237 -6.110 1.00 0.00 N ATOM 649 CA VAL A 64 -1.364 -8.624 -6.061 1.00 0.00 C ATOM 650 C VAL A 64 -1.355 -7.247 -6.715 1.00 0.00 C ATOM 651 O VAL A 64 -2.389 -6.759 -7.176 1.00 0.00 O ATOM 652 CB VAL A 64 -1.868 -8.489 -4.612 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.288 -7.942 -4.589 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.791 -9.828 -3.895 1.00 0.00 C ATOM 0 H VAL A 64 0.469 -9.206 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.038 -9.281 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.225 -7.784 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.627 -7.854 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.308 -6.961 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.948 -8.620 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.151 -9.714 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.409 -10.557 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.757 -10.174 -3.880 1.00 0.00 H new ATOM 664 N LEU A 65 -0.183 -6.623 -6.752 1.00 0.00 N ATOM 665 CA LEU A 65 -0.038 -5.301 -7.351 1.00 0.00 C ATOM 666 C LEU A 65 0.222 -5.408 -8.850 1.00 0.00 C ATOM 667 O LEU A 65 0.010 -4.451 -9.596 1.00 0.00 O ATOM 668 CB LEU A 65 1.104 -4.537 -6.677 1.00 0.00 C ATOM 669 CG LEU A 65 0.922 -4.236 -5.189 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.199 -3.654 -4.603 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.246 -3.285 -4.975 1.00 0.00 C ATOM 0 H LEU A 65 0.681 -7.011 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.970 -4.757 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.022 -5.111 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.244 -3.593 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 65 0.702 -5.171 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.051 -3.446 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.013 -4.369 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.449 -2.729 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.360 -3.083 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.056 -2.351 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.160 -3.739 -5.358 1.00 0.00 H new ATOM 683 N GLU A 66 0.679 -6.577 -9.285 1.00 0.00 N ATOM 684 CA GLU A 66 0.966 -6.807 -10.696 1.00 0.00 C ATOM 685 C GLU A 66 -0.284 -7.275 -11.436 1.00 0.00 C ATOM 686 O GLU A 66 -0.556 -6.839 -12.555 1.00 0.00 O ATOM 687 CB GLU A 66 2.080 -7.845 -10.850 1.00 0.00 C ATOM 688 CG GLU A 66 3.411 -7.400 -10.266 1.00 0.00 C ATOM 689 CD GLU A 66 4.508 -8.428 -10.467 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.303 -9.598 -10.084 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.574 -8.060 -11.007 1.00 0.00 O ATOM 0 H GLU A 66 0.859 -7.379 -8.681 1.00 0.00 H new ATOM 0 HA GLU A 66 1.294 -5.863 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.772 -8.771 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.214 -8.068 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.710 -6.459 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.290 -7.207 -9.200 1.00 0.00 H new ATOM 698 N LYS A 67 -1.041 -8.165 -10.803 1.00 0.00 N ATOM 699 CA LYS A 67 -2.264 -8.691 -11.399 1.00 0.00 C ATOM 700 C LYS A 67 -3.241 -7.565 -11.721 1.00 0.00 C ATOM 701 O LYS A 67 -3.947 -7.613 -12.729 1.00 0.00 O ATOM 702 CB LYS A 67 -2.922 -9.698 -10.454 1.00 0.00 C ATOM 703 CG LYS A 67 -3.248 -9.126 -9.086 1.00 0.00 C ATOM 704 CD LYS A 67 -3.979 -10.137 -8.218 1.00 0.00 C ATOM 705 CE LYS A 67 -5.416 -10.330 -8.676 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.245 -9.118 -8.426 1.00 0.00 N ATOM 0 H LYS A 67 -0.829 -8.537 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.999 -9.194 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.840 -10.067 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.260 -10.555 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.327 -8.818 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.862 -8.233 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.455 -11.092 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.969 -9.802 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.430 -10.566 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.852 -11.182 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.253 -9.367 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.042 -8.748 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.020 -8.391 -9.135 1.00 0.00 H new ATOM 720 N CYS A 68 -3.275 -6.553 -10.861 1.00 0.00 N ATOM 721 CA CYS A 68 -4.166 -5.415 -11.054 1.00 0.00 C ATOM 722 C CYS A 68 -3.623 -4.476 -12.127 1.00 0.00 C ATOM 723 O CYS A 68 -4.252 -4.269 -13.163 1.00 0.00 O ATOM 724 CB CYS A 68 -4.350 -4.656 -9.741 1.00 0.00 C ATOM 725 SG CYS A 68 -5.658 -5.318 -8.682 1.00 0.00 S ATOM 0 H CYS A 68 -2.696 -6.498 -10.023 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.133 -5.794 -11.384 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.409 -4.671 -9.190 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.572 -3.613 -9.965 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.442 -4.352 -8.306 1.00 0.00 H new ATOM 731 N GLY A 69 -2.448 -3.908 -11.868 1.00 0.00 N ATOM 732 CA GLY A 69 -1.841 -2.995 -12.819 1.00 0.00 C ATOM 733 C GLY A 69 -0.338 -3.170 -12.911 1.00 0.00 C ATOM 734 O GLY A 69 0.212 -4.156 -12.418 1.00 0.00 O ATOM 0 H GLY A 69 -1.907 -4.064 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.283 -3.153 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.067 -1.969 -12.529 1.00 0.00 H new ATOM 738 N LEU A 70 0.329 -2.212 -13.546 1.00 0.00 N ATOM 739 CA LEU A 70 1.779 -2.265 -13.703 1.00 0.00 C ATOM 740 C LEU A 70 2.479 -1.645 -12.498 1.00 0.00 C ATOM 741 O LEU A 70 2.248 -0.484 -12.161 1.00 0.00 O ATOM 742 CB LEU A 70 2.200 -1.538 -14.980 1.00 0.00 C ATOM 743 CG LEU A 70 1.775 -2.193 -16.295 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.894 -1.206 -17.446 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.609 -3.436 -16.567 1.00 0.00 C ATOM 0 H LEU A 70 -0.110 -1.390 -13.960 1.00 0.00 H new ATOM 0 HA LEU A 70 2.074 -3.312 -13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.791 -0.528 -14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.286 -1.442 -14.979 1.00 0.00 H new ATOM 0 HG LEU A 70 0.731 -2.493 -16.208 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.587 -1.690 -18.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.252 -0.346 -17.256 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.928 -0.874 -17.535 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.292 -3.888 -17.507 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.662 -3.161 -16.634 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.472 -4.151 -15.756 1.00 0.00 H new ATOM 757 N VAL A 71 3.340 -2.427 -11.853 1.00 0.00 N ATOM 758 CA VAL A 71 4.077 -1.955 -10.687 1.00 0.00 C ATOM 759 C VAL A 71 5.412 -1.340 -11.094 1.00 0.00 C ATOM 760 O VAL A 71 6.373 -2.051 -11.385 1.00 0.00 O ATOM 761 CB VAL A 71 4.336 -3.096 -9.686 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.114 -2.586 -8.482 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.023 -3.730 -9.251 1.00 0.00 C ATOM 0 H VAL A 71 3.544 -3.390 -12.119 1.00 0.00 H new ATOM 0 HA VAL A 71 3.459 -1.195 -10.209 1.00 0.00 H new ATOM 0 HB VAL A 71 4.937 -3.859 -10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.287 -3.407 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.071 -2.182 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.542 -1.803 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.224 -4.535 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.395 -2.977 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.508 -4.134 -10.122 1.00 0.00 H new ATOM 773 N ASP A 72 5.464 -0.012 -11.112 1.00 0.00 N ATOM 774 CA ASP A 72 6.682 0.700 -11.482 1.00 0.00 C ATOM 775 C ASP A 72 7.749 0.548 -10.403 1.00 0.00 C ATOM 776 O ASP A 72 8.909 0.262 -10.699 1.00 0.00 O ATOM 777 CB ASP A 72 6.380 2.182 -11.714 1.00 0.00 C ATOM 778 CG ASP A 72 7.640 3.015 -11.845 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.274 2.970 -12.920 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.991 3.714 -10.871 1.00 0.00 O ATOM 0 H ASP A 72 4.677 0.593 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 72 7.062 0.265 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.780 2.291 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.781 2.562 -10.886 1.00 0.00 H new ATOM 785 N ALA A 73 7.348 0.743 -9.151 1.00 0.00 N ATOM 786 CA ALA A 73 8.271 0.628 -8.027 1.00 0.00 C ATOM 787 C ALA A 73 7.522 0.333 -6.731 1.00 0.00 C ATOM 788 O ALA A 73 6.599 1.057 -6.356 1.00 0.00 O ATOM 789 CB ALA A 73 9.093 1.899 -7.886 1.00 0.00 C ATOM 0 H ALA A 73 6.391 0.981 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 73 8.944 -0.206 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.777 1.798 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.664 2.066 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.428 2.745 -7.714 1.00 0.00 H new ATOM 795 N LEU A 74 7.925 -0.735 -6.051 1.00 0.00 N ATOM 796 CA LEU A 74 7.292 -1.126 -4.796 1.00 0.00 C ATOM 797 C LEU A 74 8.260 -0.970 -3.627 1.00 0.00 C ATOM 798 O LEU A 74 9.157 -1.792 -3.437 1.00 0.00 O ATOM 799 CB LEU A 74 6.804 -2.574 -4.879 1.00 0.00 C ATOM 800 CG LEU A 74 6.513 -3.261 -3.544 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.245 -2.702 -2.920 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.398 -4.766 -3.734 1.00 0.00 C ATOM 0 H LEU A 74 8.687 -1.345 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 74 6.438 -0.470 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.896 -2.597 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.554 -3.160 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 74 7.343 -3.062 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.055 -3.203 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.365 -1.632 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.404 -2.869 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.191 -5.239 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.587 -4.984 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.334 -5.155 -4.136 1.00 0.00 H new ATOM 814 N LEU A 75 8.069 0.086 -2.846 1.00 0.00 N ATOM 815 CA LEU A 75 8.923 0.349 -1.692 1.00 0.00 C ATOM 816 C LEU A 75 8.437 -0.420 -0.468 1.00 0.00 C ATOM 817 O LEU A 75 7.283 -0.289 -0.059 1.00 0.00 O ATOM 818 CB LEU A 75 8.955 1.848 -1.388 1.00 0.00 C ATOM 819 CG LEU A 75 9.789 2.270 -0.178 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.272 2.231 -0.511 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.382 3.658 0.293 1.00 0.00 C ATOM 0 H LEU A 75 7.331 0.775 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 75 9.931 0.012 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.337 2.368 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.931 2.189 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 75 9.601 1.565 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.849 2.535 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.554 1.218 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.478 2.913 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.986 3.941 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.539 4.376 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.329 3.653 0.574 1.00 0.00 H new ATOM 833 N MET A 76 9.324 -1.220 0.112 1.00 0.00 N ATOM 834 CA MET A 76 8.986 -2.008 1.293 1.00 0.00 C ATOM 835 C MET A 76 9.974 -1.742 2.425 1.00 0.00 C ATOM 836 O MET A 76 11.064 -2.312 2.474 1.00 0.00 O ATOM 837 CB MET A 76 8.973 -3.498 0.950 1.00 0.00 C ATOM 838 CG MET A 76 7.726 -3.939 0.200 1.00 0.00 C ATOM 839 SD MET A 76 7.543 -5.731 0.147 1.00 0.00 S ATOM 840 CE MET A 76 6.683 -6.029 1.691 1.00 0.00 C ATOM 0 H MET A 76 10.282 -1.341 -0.215 1.00 0.00 H new ATOM 0 HA MET A 76 7.992 -1.711 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.851 -3.731 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.056 -4.075 1.871 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.848 -3.502 0.675 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.763 -3.552 -0.818 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.874 -6.740 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.380 -6.436 2.423 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.271 -5.092 2.065 1.00 0.00 H new ATOM 850 N PRO A 77 9.585 -0.859 3.356 1.00 0.00 N ATOM 851 CA PRO A 77 10.423 -0.499 4.503 1.00 0.00 C ATOM 852 C PRO A 77 10.556 -1.642 5.504 1.00 0.00 C ATOM 853 O PRO A 77 9.583 -2.311 5.852 1.00 0.00 O ATOM 854 CB PRO A 77 9.674 0.679 5.134 1.00 0.00 C ATOM 855 CG PRO A 77 8.254 0.487 4.724 1.00 0.00 C ATOM 856 CD PRO A 77 8.299 -0.142 3.359 1.00 0.00 C ATOM 0 HA PRO A 77 11.444 -0.262 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.777 0.678 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.064 1.633 4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.727 -0.153 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.723 1.439 4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.460 -0.820 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.255 0.608 2.569 1.00 0.00 H new ATOM 864 N PRO A 78 11.790 -1.872 5.979 1.00 0.00 N ATOM 865 CA PRO A 78 12.079 -2.934 6.946 1.00 0.00 C ATOM 866 C PRO A 78 11.500 -2.637 8.325 1.00 0.00 C ATOM 867 O PRO A 78 11.508 -1.493 8.779 1.00 0.00 O ATOM 868 CB PRO A 78 13.609 -2.956 7.004 1.00 0.00 C ATOM 869 CG PRO A 78 14.021 -1.581 6.603 1.00 0.00 C ATOM 870 CD PRO A 78 12.997 -1.115 5.606 1.00 0.00 C ATOM 0 HA PRO A 78 11.636 -3.885 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.964 -3.200 8.005 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.020 -3.706 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.055 -0.917 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.019 -1.585 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.833 -0.039 5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.306 -1.329 4.583 1.00 0.00 H new ATOM 878 N ASN A 79 10.995 -3.673 8.987 1.00 0.00 N ATOM 879 CA ASN A 79 10.411 -3.521 10.314 1.00 0.00 C ATOM 880 C ASN A 79 9.241 -2.542 10.285 1.00 0.00 C ATOM 881 O ASN A 79 9.058 -1.748 11.208 1.00 0.00 O ATOM 882 CB ASN A 79 11.469 -3.040 11.309 1.00 0.00 C ATOM 883 CG ASN A 79 12.614 -4.022 11.455 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.423 -5.155 11.898 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.814 -3.593 11.081 1.00 0.00 N ATOM 0 H ASN A 79 10.979 -4.627 8.626 1.00 0.00 H new ATOM 0 HA ASN A 79 10.039 -4.495 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.860 -2.076 10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.004 -2.882 12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.622 -4.210 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.927 -2.646 10.719 1.00 0.00 H new ATOM 892 N LYS A 80 8.451 -2.604 9.218 1.00 0.00 N ATOM 893 CA LYS A 80 7.298 -1.725 9.067 1.00 0.00 C ATOM 894 C LYS A 80 6.087 -2.499 8.556 1.00 0.00 C ATOM 895 O LYS A 80 6.128 -3.140 7.505 1.00 0.00 O ATOM 896 CB LYS A 80 7.627 -0.579 8.108 1.00 0.00 C ATOM 897 CG LYS A 80 8.557 0.464 8.702 1.00 0.00 C ATOM 898 CD LYS A 80 7.958 1.102 9.945 1.00 0.00 C ATOM 899 CE LYS A 80 8.693 2.379 10.325 1.00 0.00 C ATOM 900 NZ LYS A 80 9.830 2.110 11.248 1.00 0.00 N ATOM 0 H LYS A 80 8.589 -3.255 8.445 1.00 0.00 H new ATOM 0 HA LYS A 80 7.056 -1.312 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.084 -0.990 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.700 -0.095 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.511 0.001 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.763 1.235 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.906 1.325 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.000 0.396 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.064 2.866 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.997 3.072 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.305 3.005 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.473 1.668 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.507 1.469 10.787 1.00 0.00 H new ATOM 914 N PRO A 81 4.982 -2.439 9.314 1.00 0.00 N ATOM 915 CA PRO A 81 3.738 -3.127 8.956 1.00 0.00 C ATOM 916 C PRO A 81 3.058 -2.502 7.742 1.00 0.00 C ATOM 917 O PRO A 81 2.027 -2.988 7.276 1.00 0.00 O ATOM 918 CB PRO A 81 2.867 -2.957 10.203 1.00 0.00 C ATOM 919 CG PRO A 81 3.385 -1.726 10.862 1.00 0.00 C ATOM 920 CD PRO A 81 4.862 -1.695 10.579 1.00 0.00 C ATOM 0 HA PRO A 81 3.913 -4.167 8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.815 -2.852 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.946 -3.822 10.862 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.893 -0.836 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.194 -1.748 11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.231 -0.674 10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.434 -2.166 11.378 1.00 0.00 H new ATOM 928 N TYR A 82 3.641 -1.422 7.234 1.00 0.00 N ATOM 929 CA TYR A 82 3.091 -0.728 6.076 1.00 0.00 C ATOM 930 C TYR A 82 4.137 -0.594 4.974 1.00 0.00 C ATOM 931 O TYR A 82 5.339 -0.610 5.237 1.00 0.00 O ATOM 932 CB TYR A 82 2.579 0.656 6.480 1.00 0.00 C ATOM 933 CG TYR A 82 3.656 1.562 7.033 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.508 2.258 6.184 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.822 1.721 8.403 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.494 3.088 6.685 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.804 2.548 8.912 1.00 0.00 C ATOM 938 CZ TYR A 82 5.637 3.229 8.049 1.00 0.00 C ATOM 939 OH TYR A 82 6.617 4.053 8.553 1.00 0.00 O ATOM 0 H TYR A 82 4.495 -1.008 7.607 1.00 0.00 H new ATOM 0 HA TYR A 82 2.259 -1.318 5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.124 1.134 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.794 0.540 7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.398 2.149 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.172 1.189 9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.148 3.622 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.919 2.661 9.980 1.00 0.00 H new ATOM 0 HH TYR A 82 6.439 4.232 9.500 1.00 0.00 H new ATOM 949 N SER A 83 3.669 -0.463 3.736 1.00 0.00 N ATOM 950 CA SER A 83 4.561 -0.330 2.591 1.00 0.00 C ATOM 951 C SER A 83 4.039 0.718 1.614 1.00 0.00 C ATOM 952 O SER A 83 2.973 1.298 1.819 1.00 0.00 O ATOM 953 CB SER A 83 4.717 -1.676 1.879 1.00 0.00 C ATOM 954 OG SER A 83 5.599 -2.529 2.588 1.00 0.00 O ATOM 0 H SER A 83 2.677 -0.446 3.501 1.00 0.00 H new ATOM 0 HA SER A 83 5.535 -0.006 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.743 -2.155 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.095 -1.515 0.869 1.00 0.00 H new ATOM 0 HG SER A 83 5.754 -2.166 3.485 1.00 0.00 H new ATOM 960 N PHE A 84 4.799 0.956 0.549 1.00 0.00 N ATOM 961 CA PHE A 84 4.414 1.935 -0.461 1.00 0.00 C ATOM 962 C PHE A 84 4.611 1.373 -1.866 1.00 0.00 C ATOM 963 O PHE A 84 5.681 0.864 -2.198 1.00 0.00 O ATOM 964 CB PHE A 84 5.229 3.218 -0.294 1.00 0.00 C ATOM 965 CG PHE A 84 5.167 3.792 1.092 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.087 4.565 1.489 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.188 3.559 1.999 1.00 0.00 C ATOM 968 CE1 PHE A 84 4.027 5.094 2.766 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.133 4.085 3.276 1.00 0.00 C ATOM 970 CZ PHE A 84 5.053 4.854 3.659 1.00 0.00 C ATOM 0 H PHE A 84 5.684 0.484 0.364 1.00 0.00 H new ATOM 0 HA PHE A 84 3.357 2.164 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.269 3.014 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.868 3.963 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.283 4.756 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.037 2.959 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.180 5.693 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.935 3.894 3.974 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.010 5.268 4.656 1.00 0.00 H new ATOM 980 N ALA A 85 3.569 1.467 -2.686 1.00 0.00 N ATOM 981 CA ALA A 85 3.627 0.971 -4.055 1.00 0.00 C ATOM 982 C ALA A 85 3.395 2.095 -5.058 1.00 0.00 C ATOM 983 O ALA A 85 2.592 2.998 -4.818 1.00 0.00 O ATOM 984 CB ALA A 85 2.606 -0.140 -4.258 1.00 0.00 C ATOM 0 H ALA A 85 2.675 1.882 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 85 4.625 0.568 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.660 -0.501 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.820 -0.960 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.605 0.245 -4.061 1.00 0.00 H new ATOM 990 N ARG A 86 4.100 2.035 -6.183 1.00 0.00 N ATOM 991 CA ARG A 86 3.971 3.050 -7.221 1.00 0.00 C ATOM 992 C ARG A 86 3.628 2.413 -8.565 1.00 0.00 C ATOM 993 O ARG A 86 4.455 1.731 -9.169 1.00 0.00 O ATOM 994 CB ARG A 86 5.267 3.854 -7.342 1.00 0.00 C ATOM 995 CG ARG A 86 5.054 5.285 -7.809 1.00 0.00 C ATOM 996 CD ARG A 86 6.264 6.155 -7.508 1.00 0.00 C ATOM 997 NE ARG A 86 6.246 7.401 -8.269 1.00 0.00 N ATOM 998 CZ ARG A 86 7.231 8.292 -8.244 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.306 8.077 -7.498 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.141 9.402 -8.964 1.00 0.00 N ATOM 0 H ARG A 86 4.767 1.294 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 86 3.160 3.721 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.768 3.867 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.935 3.348 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.856 5.293 -8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.174 5.702 -7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.291 6.382 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.174 5.602 -7.740 1.00 0.00 H new ATOM 0 HE ARG A 86 5.432 7.598 -8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.378 7.225 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.061 8.763 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.315 9.572 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.898 10.086 -8.944 1.00 0.00 H new ATOM 1014 N TYR A 87 2.403 2.640 -9.025 1.00 0.00 N ATOM 1015 CA TYR A 87 1.948 2.086 -10.294 1.00 0.00 C ATOM 1016 C TYR A 87 2.489 2.897 -11.468 1.00 0.00 C ATOM 1017 O TYR A 87 3.146 3.922 -11.278 1.00 0.00 O ATOM 1018 CB TYR A 87 0.420 2.054 -10.344 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.188 0.928 -9.540 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.370 1.047 -8.168 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.580 -0.257 -10.152 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.924 0.020 -7.428 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.137 -1.288 -9.421 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.307 -1.145 -8.059 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.860 -2.171 -7.328 1.00 0.00 O ATOM 0 H TYR A 87 1.707 3.204 -8.538 1.00 0.00 H new ATOM 0 HA TYR A 87 2.328 1.068 -10.372 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.033 3.003 -9.974 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.101 1.962 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.073 1.959 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.447 -0.373 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.056 0.129 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.438 -2.201 -9.913 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.075 -2.919 -7.924 1.00 0.00 H new ATOM 1035 N ARG A 88 2.208 2.432 -12.680 1.00 0.00 N ATOM 1036 CA ARG A 88 2.666 3.114 -13.886 1.00 0.00 C ATOM 1037 C ARG A 88 1.707 4.234 -14.274 1.00 0.00 C ATOM 1038 O ARG A 88 2.115 5.249 -14.840 1.00 0.00 O ATOM 1039 CB ARG A 88 2.801 2.119 -15.040 1.00 0.00 C ATOM 1040 CG ARG A 88 3.164 2.769 -16.365 1.00 0.00 C ATOM 1041 CD ARG A 88 4.671 2.845 -16.553 1.00 0.00 C ATOM 1042 NE ARG A 88 5.258 1.530 -16.794 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.542 1.251 -16.595 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.367 2.191 -16.154 1.00 0.00 N ATOM 1045 NH2 ARG A 88 7.002 0.031 -16.838 1.00 0.00 N ATOM 0 H ARG A 88 1.666 1.586 -12.854 1.00 0.00 H new ATOM 0 HA ARG A 88 3.642 3.552 -13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.563 1.382 -14.786 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.861 1.579 -15.155 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.722 2.201 -17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.740 3.772 -16.408 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.899 3.503 -17.391 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.125 3.288 -15.667 1.00 0.00 H new ATOM 0 HE ARG A 88 4.650 0.785 -17.134 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.016 3.130 -15.967 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.352 1.975 -16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.370 -0.694 -17.178 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.988 -0.182 -16.685 1.00 0.00 H new ATOM 1059 N THR A 89 0.428 4.044 -13.967 1.00 0.00 N ATOM 1060 CA THR A 89 -0.590 5.038 -14.285 1.00 0.00 C ATOM 1061 C THR A 89 -1.636 5.128 -13.179 1.00 0.00 C ATOM 1062 O THR A 89 -2.010 4.120 -12.580 1.00 0.00 O ATOM 1063 CB THR A 89 -1.296 4.713 -15.615 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.832 3.386 -15.575 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.330 4.840 -16.785 1.00 0.00 C ATOM 0 H THR A 89 0.072 3.211 -13.498 1.00 0.00 H new ATOM 0 HA THR A 89 -0.078 5.996 -14.377 1.00 0.00 H new ATOM 0 HB THR A 89 -2.107 5.427 -15.754 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.280 3.189 -16.424 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.850 4.606 -17.714 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.054 5.859 -16.831 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.499 4.146 -16.649 1.00 0.00 H new ATOM 1073 N THR A 90 -2.104 6.344 -12.911 1.00 0.00 N ATOM 1074 CA THR A 90 -3.105 6.566 -11.877 1.00 0.00 C ATOM 1075 C THR A 90 -4.245 5.560 -11.989 1.00 0.00 C ATOM 1076 O THR A 90 -4.554 4.849 -11.033 1.00 0.00 O ATOM 1077 CB THR A 90 -3.685 7.991 -11.953 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.640 8.930 -12.228 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.379 8.363 -10.651 1.00 0.00 C ATOM 0 H THR A 90 -1.805 7.190 -13.397 1.00 0.00 H new ATOM 0 HA THR A 90 -2.602 6.436 -10.919 1.00 0.00 H new ATOM 0 HB THR A 90 -4.419 8.019 -12.758 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.016 9.833 -12.277 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.781 9.373 -10.728 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.192 7.663 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.662 8.319 -9.831 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.865 5.503 -13.163 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.972 4.583 -13.400 1.00 0.00 C ATOM 1089 C GLU A 91 -5.757 3.271 -12.648 1.00 0.00 C ATOM 1090 O GLU A 91 -6.541 2.914 -11.769 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.124 4.306 -14.896 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.125 5.562 -15.751 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.795 5.353 -17.095 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.149 4.782 -17.998 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.966 5.760 -17.244 1.00 0.00 O ATOM 0 H GLU A 91 -4.620 6.083 -13.965 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.885 5.050 -13.031 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.311 3.656 -15.221 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.054 3.762 -15.064 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.636 6.361 -15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.098 5.890 -15.909 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.692 2.560 -13.001 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.376 1.288 -12.362 1.00 0.00 C ATOM 1104 C GLU A 92 -4.373 1.430 -10.842 1.00 0.00 C ATOM 1105 O GLU A 92 -5.094 0.721 -10.141 1.00 0.00 O ATOM 1106 CB GLU A 92 -3.016 0.775 -12.840 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.970 0.468 -14.328 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.958 -0.609 -14.732 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -5.174 -0.326 -14.734 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.515 -1.733 -15.045 1.00 0.00 O ATOM 0 H GLU A 92 -4.033 2.843 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.146 0.569 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.254 1.519 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.761 -0.127 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.180 1.378 -14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.963 0.152 -14.599 1.00 0.00 H new ATOM 1117 N SER A 93 -3.556 2.352 -10.342 1.00 0.00 N ATOM 1118 CA SER A 93 -3.454 2.583 -8.906 1.00 0.00 C ATOM 1119 C SER A 93 -4.835 2.584 -8.257 1.00 0.00 C ATOM 1120 O SER A 93 -5.066 1.898 -7.261 1.00 0.00 O ATOM 1121 CB SER A 93 -2.748 3.912 -8.631 1.00 0.00 C ATOM 1122 OG SER A 93 -3.180 4.475 -7.404 1.00 0.00 O ATOM 0 H SER A 93 -2.956 2.950 -10.910 1.00 0.00 H new ATOM 0 HA SER A 93 -2.868 1.772 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.670 3.756 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.948 4.609 -9.445 1.00 0.00 H new ATOM 0 HG SER A 93 -2.634 5.261 -7.195 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.750 3.359 -8.829 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.109 3.451 -8.309 1.00 0.00 C ATOM 1130 C LYS A 94 -7.779 2.081 -8.292 1.00 0.00 C ATOM 1131 O LYS A 94 -8.375 1.683 -7.292 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.936 4.424 -9.153 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.649 5.885 -8.851 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.859 6.758 -10.077 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.332 7.066 -10.297 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.880 7.950 -9.232 1.00 0.00 N ATOM 0 H LYS A 94 -5.575 3.933 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.055 3.823 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.740 4.234 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.995 4.228 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.299 6.226 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.623 5.990 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.305 7.689 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.456 6.255 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.462 7.544 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.898 6.135 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.904 8.067 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.704 7.522 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.416 8.879 -9.279 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.674 1.363 -9.406 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.270 0.037 -9.519 1.00 0.00 C ATOM 1152 C ARG A 95 -7.849 -0.850 -8.351 1.00 0.00 C ATOM 1153 O ARG A 95 -8.668 -1.563 -7.773 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.864 -0.616 -10.842 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.186 -2.100 -10.912 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.379 -2.795 -11.997 1.00 0.00 C ATOM 1157 NE ARG A 95 -8.033 -2.719 -13.300 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.810 -3.582 -14.286 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.954 -4.579 -14.117 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.445 -3.446 -15.444 1.00 0.00 N ATOM 0 H ARG A 95 -7.182 1.677 -10.242 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.354 0.150 -9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.370 -0.104 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.793 -0.478 -10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.977 -2.564 -9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.250 -2.234 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.390 -2.340 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.232 -3.840 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.697 -1.962 -13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.464 -4.686 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.785 -5.240 -14.875 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.104 -2.679 -15.577 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.274 -4.108 -16.200 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.565 -0.800 -8.010 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.035 -1.597 -6.911 1.00 0.00 C ATOM 1176 C ALA A 96 -6.423 -0.999 -5.564 1.00 0.00 C ATOM 1177 O ALA A 96 -6.576 -1.718 -4.576 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.522 -1.712 -7.025 1.00 0.00 C ATOM 0 H ALA A 96 -5.873 -0.216 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.469 -2.595 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.139 -2.310 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.264 -2.191 -7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.078 -0.717 -6.990 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.577 0.320 -5.528 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.944 1.015 -4.300 1.00 0.00 C ATOM 1186 C TYR A 97 -8.368 0.664 -3.879 1.00 0.00 C ATOM 1187 O TYR A 97 -8.664 0.543 -2.691 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.814 2.528 -4.487 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.566 3.332 -3.451 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.040 3.534 -2.182 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.804 3.892 -3.744 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.725 4.268 -1.234 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.495 4.628 -2.802 1.00 0.00 C ATOM 1194 CZ TYR A 97 -8.952 4.813 -1.548 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.637 5.546 -0.606 1.00 0.00 O ATOM 0 H TYR A 97 -6.453 0.930 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.262 0.693 -3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.759 2.801 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.179 2.796 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.079 3.110 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.233 3.749 -4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.302 4.415 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.456 5.057 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.483 5.860 -0.988 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.245 0.500 -4.865 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.638 0.160 -4.599 1.00 0.00 C ATOM 1207 C VAL A 98 -10.839 -1.351 -4.567 1.00 0.00 C ATOM 1208 O VAL A 98 -11.789 -1.849 -3.964 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.576 0.770 -5.658 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.028 0.629 -5.228 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.224 2.229 -5.904 1.00 0.00 C ATOM 0 H VAL A 98 -9.016 0.597 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.885 0.576 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.444 0.226 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.676 1.065 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.271 -0.427 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.179 1.147 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.897 2.644 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.327 2.790 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.196 2.300 -6.259 1.00 0.00 H new ATOM 1221 N THR A 99 -9.937 -2.076 -5.221 1.00 0.00 N ATOM 1222 CA THR A 99 -10.015 -3.530 -5.269 1.00 0.00 C ATOM 1223 C THR A 99 -9.237 -4.161 -4.120 1.00 0.00 C ATOM 1224 O THR A 99 -9.799 -4.889 -3.301 1.00 0.00 O ATOM 1225 CB THR A 99 -9.474 -4.079 -6.603 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.337 -3.694 -7.678 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.357 -5.595 -6.558 1.00 0.00 C ATOM 0 H THR A 99 -9.144 -1.679 -5.725 1.00 0.00 H new ATOM 0 HA THR A 99 -11.069 -3.792 -5.178 1.00 0.00 H new ATOM 0 HB THR A 99 -8.482 -3.659 -6.766 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.045 -2.831 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.973 -5.959 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.675 -5.884 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.339 -6.030 -6.373 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.940 -3.877 -4.064 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.084 -4.415 -3.013 1.00 0.00 C ATOM 1237 C LEU A 100 -7.566 -3.973 -1.636 1.00 0.00 C ATOM 1238 O LEU A 100 -7.857 -4.800 -0.774 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.636 -3.968 -3.228 1.00 0.00 C ATOM 1240 CG LEU A 100 -5.065 -4.192 -4.629 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.576 -3.885 -4.653 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.326 -5.619 -5.088 1.00 0.00 C ATOM 0 H LEU A 100 -7.459 -3.277 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.133 -5.503 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.566 -2.906 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.004 -4.494 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.566 -3.513 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.187 -4.050 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.414 -2.846 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.058 -4.539 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.913 -5.761 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.852 -6.316 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.400 -5.804 -5.110 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.651 -2.661 -1.439 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.100 -2.107 -0.166 1.00 0.00 C ATOM 1256 C ASN A 101 -9.220 -2.955 0.431 1.00 0.00 C ATOM 1257 O ASN A 101 -10.394 -2.755 0.125 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.580 -0.667 -0.354 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.992 -0.020 0.954 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.537 -0.678 1.841 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.734 1.277 1.079 1.00 0.00 N ATOM 0 H ASN A 101 -7.415 -1.962 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.256 -2.114 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.785 -0.079 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.424 -0.655 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.989 1.767 1.936 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.281 1.782 0.318 1.00 0.00 H new ATOM 1268 N GLY A 102 -8.846 -3.903 1.286 1.00 0.00 N ATOM 1269 CA GLY A 102 -9.830 -4.766 1.912 1.00 0.00 C ATOM 1270 C GLY A 102 -9.786 -6.182 1.373 1.00 0.00 C ATOM 1271 O GLY A 102 -10.766 -6.921 1.467 1.00 0.00 O ATOM 0 H GLY A 102 -7.880 -4.088 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.660 -4.785 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.826 -4.351 1.754 1.00 0.00 H new ATOM 1275 N LYS A 103 -8.646 -6.562 0.805 1.00 0.00 N ATOM 1276 CA LYS A 103 -8.478 -7.899 0.248 1.00 0.00 C ATOM 1277 C LYS A 103 -7.918 -8.857 1.294 1.00 0.00 C ATOM 1278 O LYS A 103 -7.215 -8.443 2.215 1.00 0.00 O ATOM 1279 CB LYS A 103 -7.548 -7.853 -0.967 1.00 0.00 C ATOM 1280 CG LYS A 103 -7.880 -8.891 -2.026 1.00 0.00 C ATOM 1281 CD LYS A 103 -6.856 -8.887 -3.149 1.00 0.00 C ATOM 1282 CE LYS A 103 -5.731 -9.874 -2.881 1.00 0.00 C ATOM 1283 NZ LYS A 103 -6.044 -11.230 -3.411 1.00 0.00 N ATOM 0 H LYS A 103 -7.825 -5.963 0.718 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.457 -8.262 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.598 -6.860 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.521 -8.001 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.917 -9.880 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.871 -8.692 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.345 -9.138 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.443 -7.885 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.811 -9.509 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.551 -9.936 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.252 -11.873 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.908 -11.590 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.191 -11.175 -4.439 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.233 -10.140 1.143 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.760 -11.157 2.074 1.00 0.00 C ATOM 1299 C GLU A 104 -6.598 -11.946 1.477 1.00 0.00 C ATOM 1300 O GLU A 104 -6.736 -12.574 0.427 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.898 -12.108 2.448 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.865 -11.530 3.468 1.00 0.00 C ATOM 1303 CD GLU A 104 -11.014 -10.779 2.822 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.806 -11.418 2.097 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -11.121 -9.555 3.041 1.00 0.00 O ATOM 0 H GLU A 104 -8.813 -10.499 0.385 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.408 -10.652 2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.450 -12.373 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.474 -13.030 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.263 -12.337 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.325 -10.857 4.135 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.454 -11.906 2.151 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.268 -12.618 1.688 1.00 0.00 C ATOM 1314 C VAL A 105 -3.635 -13.424 2.816 1.00 0.00 C ATOM 1315 O VAL A 105 -3.509 -12.944 3.942 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.220 -11.646 1.115 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.800 -10.859 -0.050 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.712 -10.709 2.201 1.00 0.00 C ATOM 0 H VAL A 105 -5.322 -11.388 3.020 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.593 -13.297 0.900 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.376 -12.228 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.044 -10.178 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.109 -11.548 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.663 -10.287 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.972 -10.029 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.545 -10.133 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.254 -11.292 3.000 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.237 -14.654 2.506 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.615 -15.528 3.493 1.00 0.00 C ATOM 1330 C VAL A 106 -1.168 -15.123 3.751 1.00 0.00 C ATOM 1331 O VAL A 106 -0.311 -15.248 2.876 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.651 -17.001 3.041 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.695 -17.839 3.875 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.067 -17.549 3.126 1.00 0.00 C ATOM 0 H VAL A 106 -3.334 -15.067 1.579 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.189 -15.424 4.414 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.328 -17.052 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.734 -18.876 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.680 -17.458 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.984 -17.784 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.074 -18.590 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.420 -17.486 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.723 -16.965 2.481 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.902 -14.638 4.959 1.00 0.00 N ATOM 1345 CA ASP A 107 0.442 -14.215 5.334 1.00 0.00 C ATOM 1346 C ASP A 107 1.327 -15.421 5.634 1.00 0.00 C ATOM 1347 O ASP A 107 0.864 -16.562 5.619 1.00 0.00 O ATOM 1348 CB ASP A 107 0.388 -13.292 6.552 1.00 0.00 C ATOM 1349 CG ASP A 107 0.180 -11.839 6.170 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.728 -11.564 5.356 1.00 0.00 O ATOM 1351 OD2 ASP A 107 0.924 -10.979 6.683 1.00 0.00 O ATOM 0 H ASP A 107 -1.599 -14.528 5.695 1.00 0.00 H new ATOM 0 HA ASP A 107 0.872 -13.670 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.420 -13.611 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.315 -13.387 7.117 1.00 0.00 H new ATOM 1356 N ASP A 108 2.601 -15.160 5.903 1.00 0.00 N ATOM 1357 CA ASP A 108 3.552 -16.225 6.206 1.00 0.00 C ATOM 1358 C ASP A 108 3.034 -17.110 7.335 1.00 0.00 C ATOM 1359 O ASP A 108 3.359 -18.297 7.406 1.00 0.00 O ATOM 1360 CB ASP A 108 4.909 -15.632 6.587 1.00 0.00 C ATOM 1361 CG ASP A 108 6.017 -16.667 6.577 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.219 -17.328 7.618 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.681 -16.816 5.531 1.00 0.00 O ATOM 0 H ASP A 108 3.000 -14.221 5.918 1.00 0.00 H new ATOM 0 HA ASP A 108 3.671 -16.839 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.159 -14.830 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.842 -15.186 7.579 1.00 0.00 H new ATOM 1368 N LEU A 109 2.230 -16.527 8.216 1.00 0.00 N ATOM 1369 CA LEU A 109 1.667 -17.263 9.343 1.00 0.00 C ATOM 1370 C LEU A 109 0.622 -18.268 8.871 1.00 0.00 C ATOM 1371 O LEU A 109 0.382 -19.283 9.522 1.00 0.00 O ATOM 1372 CB LEU A 109 1.042 -16.295 10.350 1.00 0.00 C ATOM 1373 CG LEU A 109 1.926 -15.130 10.798 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.135 -14.164 11.667 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.148 -15.643 11.544 1.00 0.00 C ATOM 0 H LEU A 109 1.953 -15.546 8.172 1.00 0.00 H new ATOM 0 HA LEU A 109 2.476 -17.809 9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.131 -15.887 9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.747 -16.861 11.233 1.00 0.00 H new ATOM 0 HG LEU A 109 2.266 -14.595 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.780 -13.342 11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.292 -13.770 11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.765 -14.687 12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.765 -14.800 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.829 -16.203 12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.727 -16.294 10.889 1.00 0.00 H new ATOM 1387 N GLY A 110 0.004 -17.978 7.729 1.00 0.00 N ATOM 1388 CA GLY A 110 -1.007 -18.867 7.187 1.00 0.00 C ATOM 1389 C GLY A 110 -2.416 -18.375 7.454 1.00 0.00 C ATOM 1390 O GLY A 110 -3.386 -19.098 7.230 1.00 0.00 O ATOM 0 H GLY A 110 0.186 -17.144 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.859 -18.968 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.884 -19.859 7.621 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.528 -17.140 7.934 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.829 -16.554 8.234 1.00 0.00 C ATOM 1396 C GLN A 111 -4.196 -15.489 7.206 1.00 0.00 C ATOM 1397 O GLN A 111 -3.365 -14.662 6.828 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.826 -15.944 9.637 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.421 -16.925 10.725 1.00 0.00 C ATOM 1400 CD GLN A 111 -4.063 -16.613 12.062 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -3.379 -16.489 13.079 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -5.385 -16.483 12.069 1.00 0.00 N ATOM 0 H GLN A 111 -1.735 -16.527 8.123 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.575 -17.348 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.144 -15.094 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.821 -15.558 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.698 -17.934 10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -2.337 -16.912 10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.913 -16.594 11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -5.872 -16.272 12.940 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.445 -15.515 6.754 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.924 -14.552 5.769 1.00 0.00 C ATOM 1413 C LYS A 112 -6.056 -13.163 6.387 1.00 0.00 C ATOM 1414 O LYS A 112 -7.047 -12.862 7.053 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.272 -14.999 5.201 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.166 -16.157 4.223 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.356 -16.202 3.279 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.154 -17.229 2.176 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.355 -16.679 1.046 1.00 0.00 N ATOM 0 H LYS A 112 -6.145 -16.193 7.054 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.195 -14.504 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.926 -15.288 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.744 -14.154 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.246 -16.064 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.102 -17.095 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.258 -16.443 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.509 -15.217 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.651 -18.106 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.124 -17.561 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.124 -17.443 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.907 -15.947 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.476 -16.262 1.413 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.053 -12.322 6.159 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.060 -10.964 6.691 1.00 0.00 C ATOM 1435 C ILE A 113 -5.683 -9.989 5.698 1.00 0.00 C ATOM 1436 O ILE A 113 -5.643 -10.206 4.488 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.637 -10.488 7.037 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.841 -11.621 7.689 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.693 -9.277 7.956 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.565 -11.157 8.354 1.00 0.00 C ATOM 0 H ILE A 113 -4.226 -12.556 5.610 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.659 -10.984 7.602 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.133 -10.198 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.469 -12.115 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.596 -12.365 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.680 -8.952 8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.227 -8.467 7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.212 -9.543 8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.053 -12.012 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.918 -10.689 7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.803 -10.435 9.135 1.00 0.00 H new ATOM 1452 N THR A 114 -6.259 -8.909 6.220 1.00 0.00 N ATOM 1453 CA THR A 114 -6.890 -7.898 5.381 1.00 0.00 C ATOM 1454 C THR A 114 -5.989 -6.680 5.217 1.00 0.00 C ATOM 1455 O THR A 114 -5.800 -5.904 6.155 1.00 0.00 O ATOM 1456 CB THR A 114 -8.242 -7.449 5.964 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.946 -8.577 6.497 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.093 -6.771 4.900 1.00 0.00 C ATOM 0 H THR A 114 -6.301 -8.713 7.220 1.00 0.00 H new ATOM 0 HA THR A 114 -7.058 -8.355 4.406 1.00 0.00 H new ATOM 0 HB THR A 114 -8.047 -6.733 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.804 -8.282 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.043 -6.463 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.568 -5.896 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.278 -7.469 4.083 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.436 -6.515 4.021 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.554 -5.389 3.733 1.00 0.00 C ATOM 1468 C LEU A 115 -5.330 -4.238 3.101 1.00 0.00 C ATOM 1469 O LEU A 115 -6.166 -4.448 2.221 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.422 -5.826 2.803 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.767 -7.168 3.129 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.654 -7.475 2.137 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.229 -7.168 4.552 1.00 0.00 C ATOM 0 H LEU A 115 -5.583 -7.147 3.234 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.128 -5.043 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.811 -5.872 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.651 -5.056 2.815 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.524 -7.948 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.200 -8.434 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.067 -7.519 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.897 -6.692 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.766 -8.131 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.487 -6.377 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.048 -6.996 5.251 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.049 -3.022 3.554 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.720 -1.837 3.034 1.00 0.00 C ATOM 1487 C TYR A 116 -4.778 -1.015 2.162 1.00 0.00 C ATOM 1488 O TYR A 116 -3.573 -1.269 2.118 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.248 -0.977 4.184 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.551 -1.480 4.766 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.649 -2.757 5.301 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.683 -0.675 4.782 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.836 -3.220 5.834 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -9.874 -1.129 5.314 1.00 0.00 C ATOM 1495 CZ TYR A 116 -9.946 -2.402 5.837 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.131 -2.859 6.368 1.00 0.00 O ATOM 0 H TYR A 116 -4.360 -2.831 4.281 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.559 -2.167 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.497 -0.940 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.388 0.044 3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.781 -3.400 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.631 0.323 4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.894 -4.217 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.744 -0.490 5.320 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.814 -2.160 6.294 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.332 -0.028 1.468 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.543 0.835 0.596 1.00 0.00 C ATOM 1508 C LEU A 117 -5.056 2.270 0.638 1.00 0.00 C ATOM 1509 O LEU A 117 -6.239 2.523 0.414 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.578 0.310 -0.841 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.657 -0.871 -1.147 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.262 -2.167 -0.631 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.388 -0.965 -2.642 1.00 0.00 C ATOM 0 H LEU A 117 -6.327 0.195 1.492 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.514 0.827 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.601 0.017 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.320 1.129 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.708 -0.708 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.593 -2.997 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.403 -2.099 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.225 -2.336 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.731 -1.811 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.330 -1.104 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.911 -0.047 -2.984 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.158 3.206 0.926 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.520 4.618 0.996 1.00 0.00 C ATOM 1527 C ASN A 118 -3.743 5.430 -0.035 1.00 0.00 C ATOM 1528 O ASN A 118 -2.571 5.160 -0.299 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.253 5.165 2.399 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.410 4.912 3.348 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.506 3.846 3.956 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.294 5.894 3.477 1.00 0.00 N ATOM 0 H ASN A 118 -3.174 3.013 1.115 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.584 4.706 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.350 4.704 2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.064 6.237 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.094 5.782 4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.174 6.761 2.953 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.403 6.428 -0.613 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.774 7.281 -1.616 1.00 0.00 C ATOM 1541 C PHE A 119 -2.744 8.207 -0.974 1.00 0.00 C ATOM 1542 O PHE A 119 -3.091 9.089 -0.189 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.833 8.108 -2.349 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.587 7.329 -3.389 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.912 6.630 -4.376 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -6.973 7.297 -3.379 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.604 5.912 -5.333 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.669 6.581 -4.334 1.00 0.00 C ATOM 1549 CZ PHE A 119 -6.984 5.888 -5.313 1.00 0.00 C ATOM 0 H PHE A 119 -5.373 6.666 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.263 6.639 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.540 8.506 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.351 8.962 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.832 6.646 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.514 7.837 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.065 5.370 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.749 6.563 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.527 5.329 -6.061 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.477 7.997 -1.314 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.396 8.811 -0.772 1.00 0.00 C ATOM 1561 C VAL A 120 0.298 9.607 -1.872 1.00 0.00 C ATOM 1562 O VAL A 120 0.387 9.157 -3.014 1.00 0.00 O ATOM 1563 CB VAL A 120 0.649 7.945 -0.043 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.055 7.339 1.218 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.178 6.859 -0.968 1.00 0.00 C ATOM 0 H VAL A 120 -1.174 7.270 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.847 9.500 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 120 1.484 8.582 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.808 6.731 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.271 8.136 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.799 6.715 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.915 6.256 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.354 6.223 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.645 7.319 -1.839 1.00 0.00 H new ATOM 1575 N GLU A 121 0.787 10.792 -1.520 1.00 0.00 N ATOM 1576 CA GLU A 121 1.472 11.650 -2.479 1.00 0.00 C ATOM 1577 C GLU A 121 2.952 11.781 -2.132 1.00 0.00 C ATOM 1578 O GLU A 121 3.803 11.876 -3.017 1.00 0.00 O ATOM 1579 CB GLU A 121 0.821 13.035 -2.514 1.00 0.00 C ATOM 1580 CG GLU A 121 0.636 13.654 -1.139 1.00 0.00 C ATOM 1581 CD GLU A 121 0.357 15.144 -1.202 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.980 15.828 -2.041 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.484 15.625 -0.415 1.00 0.00 O ATOM 0 H GLU A 121 0.721 11.179 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 121 1.387 11.191 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.433 13.700 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.150 12.959 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.188 13.155 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.532 13.481 -0.543 1.00 0.00 H new ATOM 1590 N LYS A 122 3.252 11.784 -0.838 1.00 0.00 N ATOM 1591 CA LYS A 122 4.629 11.901 -0.372 1.00 0.00 C ATOM 1592 C LYS A 122 5.118 10.583 0.218 1.00 0.00 C ATOM 1593 O LYS A 122 4.544 10.069 1.179 1.00 0.00 O ATOM 1594 CB LYS A 122 4.741 13.013 0.674 1.00 0.00 C ATOM 1595 CG LYS A 122 4.810 14.407 0.075 1.00 0.00 C ATOM 1596 CD LYS A 122 4.452 15.472 1.099 1.00 0.00 C ATOM 1597 CE LYS A 122 4.638 16.872 0.535 1.00 0.00 C ATOM 1598 NZ LYS A 122 4.214 17.920 1.503 1.00 0.00 N ATOM 0 H LYS A 122 2.560 11.707 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 122 5.256 12.150 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.884 12.957 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.631 12.842 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.814 14.591 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.129 14.473 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.417 15.341 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.075 15.350 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.685 17.022 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.062 16.973 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.356 18.860 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.208 17.793 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.781 17.841 2.371 1.00 0.00 H new ATOM 1612 N VAL A 123 6.184 10.039 -0.362 1.00 0.00 N ATOM 1613 CA VAL A 123 6.751 8.781 0.109 1.00 0.00 C ATOM 1614 C VAL A 123 8.270 8.777 -0.030 1.00 0.00 C ATOM 1615 O VAL A 123 8.803 9.037 -1.108 1.00 0.00 O ATOM 1616 CB VAL A 123 6.173 7.580 -0.664 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.781 6.279 -0.163 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.656 7.551 -0.545 1.00 0.00 C ATOM 0 H VAL A 123 6.672 10.450 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 123 6.485 8.688 1.162 1.00 0.00 H new ATOM 0 HB VAL A 123 6.430 7.690 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.360 5.442 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.861 6.304 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.557 6.157 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.264 6.697 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.375 7.465 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.241 8.471 -0.958 1.00 0.00 H new ATOM 1628 N GLN A 124 8.958 8.481 1.067 1.00 0.00 N ATOM 1629 CA GLN A 124 10.416 8.444 1.067 1.00 0.00 C ATOM 1630 C GLN A 124 10.931 7.293 0.207 1.00 0.00 C ATOM 1631 O GLN A 124 11.371 6.267 0.726 1.00 0.00 O ATOM 1632 CB GLN A 124 10.944 8.305 2.496 1.00 0.00 C ATOM 1633 CG GLN A 124 10.548 9.457 3.405 1.00 0.00 C ATOM 1634 CD GLN A 124 11.112 10.786 2.943 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.368 11.700 2.589 1.00 0.00 O ATOM 1636 NE2 GLN A 124 12.435 10.900 2.945 1.00 0.00 N ATOM 0 H GLN A 124 8.530 8.263 1.967 1.00 0.00 H new ATOM 0 HA GLN A 124 10.778 9.381 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.574 7.373 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 124 12.031 8.233 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.461 9.523 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.895 9.252 4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 124 13.014 10.116 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.872 11.771 2.645 1.00 0.00 H new ATOM 1645 N TRP A 125 10.873 7.471 -1.108 1.00 0.00 N ATOM 1646 CA TRP A 125 11.334 6.448 -2.038 1.00 0.00 C ATOM 1647 C TRP A 125 12.849 6.289 -1.967 1.00 0.00 C ATOM 1648 O TRP A 125 13.560 7.210 -1.567 1.00 0.00 O ATOM 1649 CB TRP A 125 10.913 6.800 -3.466 1.00 0.00 C ATOM 1650 CG TRP A 125 9.430 6.757 -3.675 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.585 7.825 -3.783 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.616 5.585 -3.800 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.296 7.389 -3.966 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.287 6.019 -3.982 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.879 4.213 -3.777 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.229 5.127 -4.139 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.828 3.331 -3.933 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.516 3.790 -4.113 1.00 0.00 C ATOM 0 H TRP A 125 10.511 8.314 -1.554 1.00 0.00 H new ATOM 0 HA TRP A 125 10.874 5.501 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.278 7.798 -3.709 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.391 6.108 -4.159 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.887 8.861 -3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.477 7.988 -4.073 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.886 3.849 -3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.217 5.479 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 8.020 2.268 -3.916 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.716 3.074 -4.233 1.00 0.00 H new ATOM 1669 N SER A 126 13.335 5.115 -2.357 1.00 0.00 N ATOM 1670 CA SER A 126 14.766 4.836 -2.334 1.00 0.00 C ATOM 1671 C SER A 126 15.295 4.588 -3.743 1.00 0.00 C ATOM 1672 O SER A 126 14.714 3.820 -4.510 1.00 0.00 O ATOM 1673 CB SER A 126 15.055 3.621 -1.449 1.00 0.00 C ATOM 1674 OG SER A 126 15.042 3.976 -0.076 1.00 0.00 O ATOM 0 H SER A 126 12.760 4.342 -2.692 1.00 0.00 H new ATOM 0 HA SER A 126 15.274 5.708 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.311 2.846 -1.635 1.00 0.00 H new ATOM 0 HB3 SER A 126 16.026 3.200 -1.710 1.00 0.00 H new ATOM 0 HG SER A 126 15.227 3.183 0.469 1.00 0.00 H new ATOM 1680 N GLY A 127 16.401 5.245 -4.078 1.00 0.00 N ATOM 1681 CA GLY A 127 16.990 5.084 -5.395 1.00 0.00 C ATOM 1682 C GLY A 127 17.932 6.217 -5.751 1.00 0.00 C ATOM 1683 O GLY A 127 18.135 7.152 -4.975 1.00 0.00 O ATOM 0 H GLY A 127 16.900 5.886 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 127 17.532 4.139 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.196 5.028 -6.140 1.00 0.00 H new ATOM 1687 N PRO A 128 18.527 6.141 -6.950 1.00 0.00 N ATOM 1688 CA PRO A 128 19.463 7.160 -7.435 1.00 0.00 C ATOM 1689 C PRO A 128 18.771 8.481 -7.752 1.00 0.00 C ATOM 1690 O PRO A 128 19.418 9.456 -8.135 1.00 0.00 O ATOM 1691 CB PRO A 128 20.038 6.537 -8.710 1.00 0.00 C ATOM 1692 CG PRO A 128 18.989 5.586 -9.172 1.00 0.00 C ATOM 1693 CD PRO A 128 18.332 5.057 -7.926 1.00 0.00 C ATOM 0 HA PRO A 128 20.217 7.408 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 128 20.244 7.297 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 128 20.978 6.023 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 128 18.264 6.087 -9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 128 19.426 4.776 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 128 17.275 4.847 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 128 18.794 4.128 -7.592 1.00 0.00 H new ATOM 1701 N SER A 129 17.452 8.505 -7.592 1.00 0.00 N ATOM 1702 CA SER A 129 16.671 9.706 -7.864 1.00 0.00 C ATOM 1703 C SER A 129 16.682 10.647 -6.664 1.00 0.00 C ATOM 1704 O SER A 129 16.592 10.208 -5.517 1.00 0.00 O ATOM 1705 CB SER A 129 15.230 9.333 -8.221 1.00 0.00 C ATOM 1706 OG SER A 129 14.568 8.742 -7.115 1.00 0.00 O ATOM 0 H SER A 129 16.902 7.707 -7.275 1.00 0.00 H new ATOM 0 HA SER A 129 17.127 10.221 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 129 14.689 10.224 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 129 15.228 8.641 -9.063 1.00 0.00 H new ATOM 0 HG SER A 129 13.649 8.514 -7.367 1.00 0.00 H new ATOM 1712 N SER A 130 16.793 11.943 -6.936 1.00 0.00 N ATOM 1713 CA SER A 130 16.821 12.947 -5.878 1.00 0.00 C ATOM 1714 C SER A 130 15.596 13.852 -5.958 1.00 0.00 C ATOM 1715 O SER A 130 14.925 13.919 -6.987 1.00 0.00 O ATOM 1716 CB SER A 130 18.096 13.786 -5.976 1.00 0.00 C ATOM 1717 OG SER A 130 17.979 14.776 -6.983 1.00 0.00 O ATOM 0 H SER A 130 16.865 12.323 -7.880 1.00 0.00 H new ATOM 0 HA SER A 130 16.808 12.430 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 130 18.297 14.261 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 130 18.945 13.139 -6.195 1.00 0.00 H new ATOM 0 HG SER A 130 18.806 15.300 -7.024 1.00 0.00 H new ATOM 1723 N GLY A 131 15.310 14.548 -4.861 1.00 0.00 N ATOM 1724 CA GLY A 131 14.166 15.440 -4.826 1.00 0.00 C ATOM 1725 C GLY A 131 13.874 15.953 -3.429 1.00 0.00 C ATOM 1726 O GLY A 131 12.719 16.189 -3.076 1.00 0.00 O ATOM 0 H GLY A 131 15.850 14.510 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 131 14.348 16.285 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 131 13.289 14.917 -5.208 1.00 0.00 H new TER 1730 GLY A 131