USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1060 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 128 TYR OH : rot 180:sc= 0.044 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 168:sc= 0.0435 (180deg=0) USER MOD Set 2.1: A 69 TYR OH : rot 145:sc= 0.0137 USER MOD Set 2.2: A 114 THR OG1 : rot -83:sc= 0.868 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 144:sc= -1.86 (180deg=-3.71!) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 122 LYS NZ :NH3+ 167:sc= -0.0235 (180deg=-0.221) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.416 (180deg=-0.477) USER MOD Single : A 8 SER OG : rot 23:sc= 0.284 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 86:sc= -0.0757 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -76:sc= 0.746 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.147 (180deg=-0.676) USER MOD Single : A 38 GLN : amide:sc= -0.331 K(o=-0.33,f=-0.91) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 43 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 45 MET CE :methyl 166:sc= -0.64 (180deg=-0.95) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= 0.311 (180deg=0) USER MOD Single : A 48 TYR OH : rot 100:sc= -0.339 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.86! K(o=-2.9!,f=-0.13) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0117 K(o=-0.012,f=-0.61) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.13) USER MOD Single : A 83 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.065) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -83:sc= 0.325 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.822 USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.99 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -164:sc= -0.915 (180deg=-1.33!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 172:sc= -0.685 (180deg=-0.996) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 39.791 16.295 -5.941 1.00 0.00 N ATOM 2 CA MET A 1 40.801 17.246 -5.411 1.00 0.00 C ATOM 3 C MET A 1 41.944 16.502 -4.732 1.00 0.00 C ATOM 4 O MET A 1 42.986 17.085 -4.433 1.00 0.00 O ATOM 5 CB MET A 1 40.145 18.211 -4.418 1.00 0.00 C ATOM 6 CG MET A 1 39.522 17.518 -3.217 1.00 0.00 C ATOM 7 SD MET A 1 38.712 18.674 -2.094 1.00 0.00 S ATOM 8 CE MET A 1 38.145 17.561 -0.810 1.00 0.00 C ATOM 0 H1 MET A 1 39.014 16.825 -6.384 1.00 0.00 H new ATOM 0 H2 MET A 1 40.235 15.676 -6.649 1.00 0.00 H new ATOM 0 H3 MET A 1 39.416 15.717 -5.162 1.00 0.00 H new ATOM 0 HA MET A 1 41.208 17.813 -6.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 40.893 18.923 -4.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.376 18.784 -4.936 1.00 0.00 H new ATOM 0 HG2 MET A 1 38.795 16.783 -3.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 40.295 16.972 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 37.623 18.129 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 1 37.466 16.825 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 39.000 17.051 -0.367 1.00 0.00 H new ATOM 18 N ASP A 2 41.743 15.210 -4.496 1.00 0.00 N ATOM 19 CA ASP A 2 42.757 14.381 -3.854 1.00 0.00 C ATOM 20 C ASP A 2 43.484 13.518 -4.881 1.00 0.00 C ATOM 21 O ASP A 2 44.647 13.160 -4.694 1.00 0.00 O ATOM 22 CB ASP A 2 42.115 13.494 -2.786 1.00 0.00 C ATOM 23 CG ASP A 2 43.118 12.581 -2.111 1.00 0.00 C ATOM 24 OD1 ASP A 2 43.789 13.034 -1.161 1.00 0.00 O ATOM 25 OD2 ASP A 2 43.234 11.411 -2.535 1.00 0.00 O ATOM 0 H ASP A 2 40.886 14.714 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 2 43.485 15.039 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 2 41.638 14.123 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 2 41.330 12.891 -3.243 1.00 0.00 H new ATOM 30 N ALA A 3 42.790 13.187 -5.965 1.00 0.00 N ATOM 31 CA ALA A 3 43.365 12.366 -7.024 1.00 0.00 C ATOM 32 C ALA A 3 42.772 12.728 -8.381 1.00 0.00 C ATOM 33 O ALA A 3 41.562 12.912 -8.511 1.00 0.00 O ATOM 34 CB ALA A 3 43.144 10.890 -6.726 1.00 0.00 C ATOM 0 H ALA A 3 41.826 13.476 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 3 44.437 12.561 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 3 43.578 10.289 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 3 43.620 10.635 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 3 42.075 10.688 -6.660 1.00 0.00 H new ATOM 40 N LEU A 4 43.634 12.832 -9.389 1.00 0.00 N ATOM 41 CA LEU A 4 43.196 13.172 -10.739 1.00 0.00 C ATOM 42 C LEU A 4 42.195 12.145 -11.262 1.00 0.00 C ATOM 43 O LEU A 4 42.367 10.942 -11.067 1.00 0.00 O ATOM 44 CB LEU A 4 44.396 13.270 -11.690 1.00 0.00 C ATOM 45 CG LEU A 4 45.085 11.943 -12.034 1.00 0.00 C ATOM 46 CD1 LEU A 4 46.057 12.133 -13.188 1.00 0.00 C ATOM 47 CD2 LEU A 4 45.809 11.378 -10.820 1.00 0.00 C ATOM 0 H LEU A 4 44.639 12.686 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 4 42.704 14.144 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 4 44.063 13.736 -12.617 1.00 0.00 H new ATOM 0 HB3 LEU A 4 45.135 13.937 -11.245 1.00 0.00 H new ATOM 0 HG LEU A 4 44.318 11.230 -12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 4 46.537 11.182 -13.419 1.00 0.00 H new ATOM 0 HD12 LEU A 4 45.516 12.489 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 4 46.816 12.864 -12.908 1.00 0.00 H new ATOM 0 HD21 LEU A 4 46.290 10.437 -11.088 1.00 0.00 H new ATOM 0 HD22 LEU A 4 46.564 12.088 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 4 45.092 11.203 -10.018 1.00 0.00 H new ATOM 59 N GLU A 5 41.146 12.634 -11.919 1.00 0.00 N ATOM 60 CA GLU A 5 40.109 11.768 -12.475 1.00 0.00 C ATOM 61 C GLU A 5 39.454 10.920 -11.387 1.00 0.00 C ATOM 62 O GLU A 5 39.751 11.071 -10.202 1.00 0.00 O ATOM 63 CB GLU A 5 40.693 10.860 -13.562 1.00 0.00 C ATOM 64 CG GLU A 5 41.072 11.597 -14.837 1.00 0.00 C ATOM 65 CD GLU A 5 42.210 12.578 -14.632 1.00 0.00 C ATOM 66 OE1 GLU A 5 43.380 12.170 -14.788 1.00 0.00 O ATOM 67 OE2 GLU A 5 41.931 13.755 -14.318 1.00 0.00 O ATOM 0 H GLU A 5 40.991 13.629 -12.080 1.00 0.00 H new ATOM 0 HA GLU A 5 39.346 12.408 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 5 41.576 10.358 -13.167 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.966 10.084 -13.804 1.00 0.00 H new ATOM 0 HG2 GLU A 5 41.356 10.872 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.201 12.132 -15.215 1.00 0.00 H new ATOM 74 N GLY A 6 38.558 10.030 -11.802 1.00 0.00 N ATOM 75 CA GLY A 6 37.871 9.169 -10.859 1.00 0.00 C ATOM 76 C GLY A 6 37.140 8.031 -11.543 1.00 0.00 C ATOM 77 O GLY A 6 37.471 7.662 -12.670 1.00 0.00 O ATOM 0 H GLY A 6 38.295 9.890 -12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 6 38.593 8.761 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 6 37.159 9.760 -10.283 1.00 0.00 H new ATOM 81 N GLU A 7 36.143 7.475 -10.862 1.00 0.00 N ATOM 82 CA GLU A 7 35.362 6.372 -11.411 1.00 0.00 C ATOM 83 C GLU A 7 33.879 6.557 -11.113 1.00 0.00 C ATOM 84 O GLU A 7 33.481 7.532 -10.475 1.00 0.00 O ATOM 85 CB GLU A 7 35.848 5.040 -10.835 1.00 0.00 C ATOM 86 CG GLU A 7 35.721 4.948 -9.323 1.00 0.00 C ATOM 87 CD GLU A 7 36.172 3.606 -8.781 1.00 0.00 C ATOM 88 OE1 GLU A 7 35.350 2.665 -8.769 1.00 0.00 O ATOM 89 OE2 GLU A 7 37.345 3.497 -8.367 1.00 0.00 O ATOM 0 H GLU A 7 35.857 7.770 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 7 35.499 6.364 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 7 35.279 4.228 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 7 36.892 4.893 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.314 5.739 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 7 34.683 5.121 -9.038 1.00 0.00 H new ATOM 96 N SER A 8 33.064 5.616 -11.580 1.00 0.00 N ATOM 97 CA SER A 8 31.623 5.673 -11.361 1.00 0.00 C ATOM 98 C SER A 8 31.276 5.291 -9.927 1.00 0.00 C ATOM 99 O SER A 8 31.662 4.225 -9.446 1.00 0.00 O ATOM 100 CB SER A 8 30.900 4.745 -12.338 1.00 0.00 C ATOM 101 OG SER A 8 31.320 3.401 -12.170 1.00 0.00 O ATOM 0 H SER A 8 33.377 4.805 -12.113 1.00 0.00 H new ATOM 0 HA SER A 8 31.295 6.698 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.823 4.815 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 8 31.096 5.065 -13.361 1.00 0.00 H new ATOM 0 HG SER A 8 31.684 3.282 -11.268 1.00 0.00 H new ATOM 107 N PHE A 9 30.545 6.170 -9.248 1.00 0.00 N ATOM 108 CA PHE A 9 30.143 5.926 -7.867 1.00 0.00 C ATOM 109 C PHE A 9 29.007 4.911 -7.804 1.00 0.00 C ATOM 110 O PHE A 9 28.407 4.574 -8.824 1.00 0.00 O ATOM 111 CB PHE A 9 29.711 7.233 -7.200 1.00 0.00 C ATOM 112 CG PHE A 9 30.816 8.244 -7.084 1.00 0.00 C ATOM 113 CD1 PHE A 9 31.110 9.094 -8.139 1.00 0.00 C ATOM 114 CD2 PHE A 9 31.560 8.346 -5.919 1.00 0.00 C ATOM 115 CE1 PHE A 9 32.124 10.025 -8.033 1.00 0.00 C ATOM 116 CE2 PHE A 9 32.575 9.276 -5.808 1.00 0.00 C ATOM 117 CZ PHE A 9 32.858 10.117 -6.867 1.00 0.00 C ATOM 0 H PHE A 9 30.219 7.057 -9.632 1.00 0.00 H new ATOM 0 HA PHE A 9 31.001 5.520 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 9 28.890 7.668 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 9 29.326 7.013 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 9 30.540 9.027 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 9 31.343 7.691 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 9 32.343 10.681 -8.862 1.00 0.00 H new ATOM 0 HE2 PHE A 9 33.147 9.346 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 9 33.652 10.845 -6.783 1.00 0.00 H new ATOM 127 N ALA A 10 28.718 4.429 -6.599 1.00 0.00 N ATOM 128 CA ALA A 10 27.653 3.452 -6.403 1.00 0.00 C ATOM 129 C ALA A 10 26.911 3.700 -5.095 1.00 0.00 C ATOM 130 O ALA A 10 27.221 4.641 -4.364 1.00 0.00 O ATOM 131 CB ALA A 10 28.222 2.041 -6.430 1.00 0.00 C ATOM 0 H ALA A 10 29.206 4.699 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 10 26.939 3.561 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.417 1.321 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.699 1.859 -7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 10 28.958 1.930 -5.634 1.00 0.00 H new ATOM 137 N LEU A 11 25.930 2.850 -4.808 1.00 0.00 N ATOM 138 CA LEU A 11 25.141 2.976 -3.588 1.00 0.00 C ATOM 139 C LEU A 11 26.029 2.878 -2.350 1.00 0.00 C ATOM 140 O LEU A 11 26.998 2.119 -2.327 1.00 0.00 O ATOM 141 CB LEU A 11 24.049 1.901 -3.537 1.00 0.00 C ATOM 142 CG LEU A 11 24.541 0.465 -3.322 1.00 0.00 C ATOM 143 CD1 LEU A 11 23.376 -0.448 -2.972 1.00 0.00 C ATOM 144 CD2 LEU A 11 25.262 -0.051 -4.559 1.00 0.00 C ATOM 0 H LEU A 11 25.663 2.067 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 11 24.668 3.958 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 11 23.355 2.152 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 11 23.485 1.937 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 11 25.246 0.468 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.742 -1.464 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.900 -0.096 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 11 22.650 -0.440 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.602 -1.072 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 24.581 -0.037 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.121 0.586 -4.772 1.00 0.00 H new ATOM 156 N SER A 12 25.690 3.653 -1.325 1.00 0.00 N ATOM 157 CA SER A 12 26.453 3.658 -0.082 1.00 0.00 C ATOM 158 C SER A 12 26.140 2.424 0.757 1.00 0.00 C ATOM 159 O SER A 12 25.010 2.240 1.208 1.00 0.00 O ATOM 160 CB SER A 12 26.145 4.925 0.719 1.00 0.00 C ATOM 161 OG SER A 12 26.477 6.089 -0.019 1.00 0.00 O ATOM 0 H SER A 12 24.891 4.287 -1.331 1.00 0.00 H new ATOM 0 HA SER A 12 27.513 3.641 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.087 4.946 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.704 4.912 1.655 1.00 0.00 H new ATOM 0 HG SER A 12 26.269 6.885 0.514 1.00 0.00 H new ATOM 167 N PHE A 13 27.152 1.582 0.958 1.00 0.00 N ATOM 168 CA PHE A 13 27.001 0.358 1.742 1.00 0.00 C ATOM 169 C PHE A 13 25.980 -0.582 1.103 1.00 0.00 C ATOM 170 O PHE A 13 26.345 -1.500 0.368 1.00 0.00 O ATOM 171 CB PHE A 13 26.588 0.692 3.179 1.00 0.00 C ATOM 172 CG PHE A 13 26.493 -0.509 4.076 1.00 0.00 C ATOM 173 CD1 PHE A 13 27.636 -1.098 4.591 1.00 0.00 C ATOM 174 CD2 PHE A 13 25.259 -1.047 4.406 1.00 0.00 C ATOM 175 CE1 PHE A 13 27.552 -2.202 5.418 1.00 0.00 C ATOM 176 CE2 PHE A 13 25.168 -2.151 5.232 1.00 0.00 C ATOM 177 CZ PHE A 13 26.316 -2.729 5.739 1.00 0.00 C ATOM 0 H PHE A 13 28.091 1.727 0.586 1.00 0.00 H new ATOM 0 HA PHE A 13 27.965 -0.151 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 13 27.308 1.393 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 13 25.623 1.198 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 13 28.605 -0.690 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 13 24.359 -0.598 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 13 28.451 -2.652 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 13 24.201 -2.562 5.481 1.00 0.00 H new ATOM 0 HZ PHE A 13 26.247 -3.592 6.385 1.00 0.00 H new ATOM 187 N SER A 14 24.701 -0.349 1.388 1.00 0.00 N ATOM 188 CA SER A 14 23.631 -1.175 0.840 1.00 0.00 C ATOM 189 C SER A 14 22.321 -0.397 0.777 1.00 0.00 C ATOM 190 O SER A 14 22.283 0.799 1.063 1.00 0.00 O ATOM 191 CB SER A 14 23.449 -2.437 1.685 1.00 0.00 C ATOM 192 OG SER A 14 24.640 -3.203 1.727 1.00 0.00 O ATOM 0 H SER A 14 24.381 0.405 1.996 1.00 0.00 H new ATOM 0 HA SER A 14 23.910 -1.462 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.156 -2.160 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.640 -3.040 1.273 1.00 0.00 H new ATOM 0 HG SER A 14 25.216 -2.873 2.448 1.00 0.00 H new ATOM 198 N SER A 15 21.248 -1.087 0.402 1.00 0.00 N ATOM 199 CA SER A 15 19.932 -0.465 0.302 1.00 0.00 C ATOM 200 C SER A 15 18.923 -1.179 1.197 1.00 0.00 C ATOM 201 O SER A 15 18.252 -0.554 2.019 1.00 0.00 O ATOM 202 CB SER A 15 19.446 -0.484 -1.148 1.00 0.00 C ATOM 203 OG SER A 15 20.349 0.206 -1.997 1.00 0.00 O ATOM 0 H SER A 15 21.264 -2.078 0.162 1.00 0.00 H new ATOM 0 HA SER A 15 20.020 0.569 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.339 -1.515 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.460 -0.025 -1.211 1.00 0.00 H new ATOM 0 HG SER A 15 20.017 0.178 -2.919 1.00 0.00 H new ATOM 209 N ALA A 16 18.823 -2.496 1.029 1.00 0.00 N ATOM 210 CA ALA A 16 17.901 -3.300 1.819 1.00 0.00 C ATOM 211 C ALA A 16 18.362 -3.398 3.268 1.00 0.00 C ATOM 212 O ALA A 16 17.667 -3.964 4.113 1.00 0.00 O ATOM 213 CB ALA A 16 17.758 -4.689 1.213 1.00 0.00 C ATOM 0 H ALA A 16 19.371 -3.027 0.352 1.00 0.00 H new ATOM 0 HA ALA A 16 16.928 -2.809 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.066 -5.279 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.375 -4.605 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.731 -5.180 1.194 1.00 0.00 H new ATOM 219 N SER A 17 19.540 -2.847 3.549 1.00 0.00 N ATOM 220 CA SER A 17 20.093 -2.871 4.898 1.00 0.00 C ATOM 221 C SER A 17 19.136 -2.215 5.888 1.00 0.00 C ATOM 222 O SER A 17 18.463 -2.900 6.658 1.00 0.00 O ATOM 223 CB SER A 17 21.448 -2.162 4.931 1.00 0.00 C ATOM 224 OG SER A 17 21.996 -2.170 6.239 1.00 0.00 O ATOM 0 H SER A 17 20.129 -2.379 2.860 1.00 0.00 H new ATOM 0 HA SER A 17 20.231 -3.912 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 22.136 -2.653 4.242 1.00 0.00 H new ATOM 0 HB3 SER A 17 21.333 -1.134 4.588 1.00 0.00 H new ATOM 0 HG SER A 17 21.534 -1.505 6.791 1.00 0.00 H new ATOM 230 N ASP A 18 19.077 -0.885 5.860 1.00 0.00 N ATOM 231 CA ASP A 18 18.195 -0.142 6.754 1.00 0.00 C ATOM 232 C ASP A 18 18.169 1.341 6.398 1.00 0.00 C ATOM 233 O ASP A 18 17.199 2.041 6.690 1.00 0.00 O ATOM 234 CB ASP A 18 18.634 -0.319 8.210 1.00 0.00 C ATOM 235 CG ASP A 18 20.016 0.247 8.471 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.111 1.445 8.809 1.00 0.00 O ATOM 237 OD2 ASP A 18 21.002 -0.507 8.336 1.00 0.00 O ATOM 0 H ASP A 18 19.628 -0.302 5.230 1.00 0.00 H new ATOM 0 HA ASP A 18 17.188 -0.542 6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.914 0.171 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.625 -1.379 8.463 1.00 0.00 H new ATOM 242 N ALA A 19 19.234 1.814 5.764 1.00 0.00 N ATOM 243 CA ALA A 19 19.328 3.217 5.374 1.00 0.00 C ATOM 244 C ALA A 19 18.321 3.557 4.280 1.00 0.00 C ATOM 245 O ALA A 19 17.483 4.445 4.448 1.00 0.00 O ATOM 246 CB ALA A 19 20.740 3.542 4.910 1.00 0.00 C ATOM 0 H ALA A 19 20.044 1.249 5.509 1.00 0.00 H new ATOM 0 HA ALA A 19 19.093 3.825 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.796 4.592 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.443 3.350 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.995 2.917 4.054 1.00 0.00 H new ATOM 252 N GLU A 20 18.404 2.842 3.164 1.00 0.00 N ATOM 253 CA GLU A 20 17.502 3.072 2.042 1.00 0.00 C ATOM 254 C GLU A 20 16.106 2.539 2.344 1.00 0.00 C ATOM 255 O GLU A 20 15.106 3.170 2.005 1.00 0.00 O ATOM 256 CB GLU A 20 18.048 2.413 0.775 1.00 0.00 C ATOM 257 CG GLU A 20 17.223 2.705 -0.468 1.00 0.00 C ATOM 258 CD GLU A 20 17.219 4.177 -0.829 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.359 4.915 -0.303 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.076 4.591 -1.637 1.00 0.00 O ATOM 0 H GLU A 20 19.086 2.099 3.012 1.00 0.00 H new ATOM 0 HA GLU A 20 17.433 4.148 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.070 2.753 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.092 1.334 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.618 2.130 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.198 2.371 -0.307 1.00 0.00 H new ATOM 267 N PHE A 21 16.045 1.371 2.979 1.00 0.00 N ATOM 268 CA PHE A 21 14.768 0.761 3.325 1.00 0.00 C ATOM 269 C PHE A 21 13.911 1.726 4.141 1.00 0.00 C ATOM 270 O PHE A 21 12.772 2.024 3.773 1.00 0.00 O ATOM 271 CB PHE A 21 14.987 -0.533 4.110 1.00 0.00 C ATOM 272 CG PHE A 21 13.789 -1.438 4.114 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.781 -1.275 5.051 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.669 -2.450 3.175 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.675 -2.105 5.051 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.565 -3.283 3.169 1.00 0.00 C ATOM 277 CZ PHE A 21 11.568 -3.110 4.109 1.00 0.00 C ATOM 0 H PHE A 21 16.863 0.831 3.263 1.00 0.00 H new ATOM 0 HA PHE A 21 14.244 0.527 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.836 -1.068 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.249 -0.285 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.860 -0.491 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.447 -2.590 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.896 -1.968 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.483 -4.067 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.705 -3.760 4.108 1.00 0.00 H new ATOM 287 N ASP A 22 14.465 2.216 5.248 1.00 0.00 N ATOM 288 CA ASP A 22 13.750 3.156 6.103 1.00 0.00 C ATOM 289 C ASP A 22 13.404 4.422 5.332 1.00 0.00 C ATOM 290 O ASP A 22 12.337 5.006 5.525 1.00 0.00 O ATOM 291 CB ASP A 22 14.583 3.503 7.339 1.00 0.00 C ATOM 292 CG ASP A 22 14.518 2.422 8.403 1.00 0.00 C ATOM 293 OD1 ASP A 22 15.212 1.395 8.251 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.772 2.604 9.387 1.00 0.00 O ATOM 0 H ASP A 22 15.403 1.978 5.571 1.00 0.00 H new ATOM 0 HA ASP A 22 12.825 2.682 6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.621 3.656 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.230 4.444 7.759 1.00 0.00 H new ATOM 299 N ALA A 23 14.316 4.846 4.457 1.00 0.00 N ATOM 300 CA ALA A 23 14.097 6.038 3.648 1.00 0.00 C ATOM 301 C ALA A 23 12.784 5.929 2.882 1.00 0.00 C ATOM 302 O ALA A 23 11.995 6.876 2.840 1.00 0.00 O ATOM 303 CB ALA A 23 15.258 6.248 2.688 1.00 0.00 C ATOM 0 H ALA A 23 15.209 4.382 4.293 1.00 0.00 H new ATOM 0 HA ALA A 23 14.037 6.900 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.079 7.142 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.181 6.369 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.347 5.384 2.030 1.00 0.00 H new ATOM 309 N VAL A 24 12.552 4.765 2.280 1.00 0.00 N ATOM 310 CA VAL A 24 11.327 4.527 1.528 1.00 0.00 C ATOM 311 C VAL A 24 10.111 4.628 2.440 1.00 0.00 C ATOM 312 O VAL A 24 9.090 5.205 2.066 1.00 0.00 O ATOM 313 CB VAL A 24 11.338 3.144 0.849 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.040 2.909 0.091 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.536 3.012 -0.078 1.00 0.00 C ATOM 0 H VAL A 24 13.196 3.974 2.299 1.00 0.00 H new ATOM 0 HA VAL A 24 11.270 5.293 0.755 1.00 0.00 H new ATOM 0 HB VAL A 24 11.422 2.382 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.067 1.927 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.200 2.955 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.921 3.676 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.526 2.029 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.487 3.782 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.455 3.130 0.496 1.00 0.00 H new ATOM 325 N VAL A 25 10.228 4.062 3.638 1.00 0.00 N ATOM 326 CA VAL A 25 9.139 4.099 4.607 1.00 0.00 C ATOM 327 C VAL A 25 8.702 5.536 4.866 1.00 0.00 C ATOM 328 O VAL A 25 7.510 5.822 4.996 1.00 0.00 O ATOM 329 CB VAL A 25 9.547 3.443 5.942 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.394 3.478 6.933 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.016 2.015 5.713 1.00 0.00 C ATOM 0 H VAL A 25 11.064 3.574 3.960 1.00 0.00 H new ATOM 0 HA VAL A 25 8.309 3.535 4.182 1.00 0.00 H new ATOM 0 HB VAL A 25 10.375 4.012 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.703 3.010 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.108 4.513 7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.543 2.936 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.300 1.568 6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.209 1.434 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.876 2.017 5.043 1.00 0.00 H new ATOM 341 N GLY A 26 9.676 6.438 4.937 1.00 0.00 N ATOM 342 CA GLY A 26 9.375 7.838 5.167 1.00 0.00 C ATOM 343 C GLY A 26 8.551 8.429 4.042 1.00 0.00 C ATOM 344 O GLY A 26 7.534 9.082 4.285 1.00 0.00 O ATOM 0 H GLY A 26 10.668 6.224 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.834 7.944 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.305 8.398 5.269 1.00 0.00 H new ATOM 348 N TYR A 27 8.989 8.198 2.808 1.00 0.00 N ATOM 349 CA TYR A 27 8.280 8.704 1.639 1.00 0.00 C ATOM 350 C TYR A 27 6.839 8.207 1.633 1.00 0.00 C ATOM 351 O TYR A 27 5.932 8.912 1.195 1.00 0.00 O ATOM 352 CB TYR A 27 8.987 8.273 0.350 1.00 0.00 C ATOM 353 CG TYR A 27 10.355 8.893 0.165 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.512 10.273 0.105 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.489 8.098 0.045 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.760 10.842 -0.070 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.740 8.660 -0.128 1.00 0.00 C ATOM 358 CZ TYR A 27 12.869 10.032 -0.185 1.00 0.00 C ATOM 359 OH TYR A 27 14.113 10.594 -0.359 1.00 0.00 O ATOM 0 H TYR A 27 9.831 7.664 2.593 1.00 0.00 H new ATOM 0 HA TYR A 27 8.277 9.793 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.087 7.188 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.361 8.537 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.645 10.911 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.391 7.023 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.865 11.916 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.611 8.028 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 27 14.787 9.885 -0.421 1.00 0.00 H new ATOM 369 N LEU A 28 6.637 6.987 2.127 1.00 0.00 N ATOM 370 CA LEU A 28 5.305 6.394 2.183 1.00 0.00 C ATOM 371 C LEU A 28 4.385 7.213 3.081 1.00 0.00 C ATOM 372 O LEU A 28 3.250 7.516 2.711 1.00 0.00 O ATOM 373 CB LEU A 28 5.383 4.952 2.692 1.00 0.00 C ATOM 374 CG LEU A 28 6.102 3.971 1.762 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.303 2.631 2.452 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.317 3.792 0.472 1.00 0.00 C ATOM 0 H LEU A 28 7.379 6.391 2.494 1.00 0.00 H new ATOM 0 HA LEU A 28 4.893 6.392 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.890 4.951 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.370 4.589 2.864 1.00 0.00 H new ATOM 0 HG LEU A 28 7.082 4.382 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.815 1.947 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.904 2.771 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.334 2.213 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.841 3.092 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.325 3.402 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.221 4.754 -0.032 1.00 0.00 H new ATOM 388 N GLU A 29 4.881 7.568 4.262 1.00 0.00 N ATOM 389 CA GLU A 29 4.104 8.351 5.214 1.00 0.00 C ATOM 390 C GLU A 29 3.670 9.679 4.600 1.00 0.00 C ATOM 391 O GLU A 29 2.553 10.145 4.831 1.00 0.00 O ATOM 392 CB GLU A 29 4.919 8.601 6.484 1.00 0.00 C ATOM 393 CG GLU A 29 5.346 7.324 7.190 1.00 0.00 C ATOM 394 CD GLU A 29 6.145 7.592 8.450 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.387 7.688 8.356 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.529 7.707 9.530 1.00 0.00 O ATOM 0 H GLU A 29 5.819 7.325 4.582 1.00 0.00 H new ATOM 0 HA GLU A 29 3.210 7.783 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.806 9.180 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.329 9.207 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.461 6.740 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.943 6.719 6.508 1.00 0.00 H new ATOM 403 N ASP A 30 4.560 10.283 3.818 1.00 0.00 N ATOM 404 CA ASP A 30 4.266 11.555 3.166 1.00 0.00 C ATOM 405 C ASP A 30 3.123 11.409 2.167 1.00 0.00 C ATOM 406 O ASP A 30 2.324 12.327 1.983 1.00 0.00 O ATOM 407 CB ASP A 30 5.513 12.090 2.459 1.00 0.00 C ATOM 408 CG ASP A 30 6.659 12.346 3.419 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.562 13.303 4.215 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.650 11.589 3.374 1.00 0.00 O ATOM 0 H ASP A 30 5.490 9.913 3.621 1.00 0.00 H new ATOM 0 HA ASP A 30 3.960 12.264 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.831 11.375 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.264 13.016 1.940 1.00 0.00 H new ATOM 415 N ILE A 31 3.051 10.247 1.524 1.00 0.00 N ATOM 416 CA ILE A 31 2.005 9.977 0.543 1.00 0.00 C ATOM 417 C ILE A 31 0.649 9.802 1.221 1.00 0.00 C ATOM 418 O ILE A 31 -0.372 10.272 0.718 1.00 0.00 O ATOM 419 CB ILE A 31 2.323 8.712 -0.280 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.665 8.871 -1.000 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.211 8.433 -1.281 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.180 7.586 -1.611 1.00 0.00 C ATOM 0 H ILE A 31 3.705 9.477 1.665 1.00 0.00 H new ATOM 0 HA ILE A 31 1.965 10.837 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 31 2.392 7.864 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.560 9.620 -1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.404 9.250 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.452 7.537 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.272 8.282 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.111 9.280 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.134 7.774 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.317 6.840 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.461 7.217 -2.342 1.00 0.00 H new ATOM 434 N ILE A 32 0.646 9.125 2.365 1.00 0.00 N ATOM 435 CA ILE A 32 -0.583 8.883 3.110 1.00 0.00 C ATOM 436 C ILE A 32 -1.165 10.185 3.653 1.00 0.00 C ATOM 437 O ILE A 32 -2.383 10.344 3.736 1.00 0.00 O ATOM 438 CB ILE A 32 -0.343 7.912 4.282 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.282 6.611 3.772 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.648 7.626 5.014 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.776 5.698 4.875 1.00 0.00 C ATOM 0 H ILE A 32 1.483 8.734 2.796 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.293 8.436 2.414 1.00 0.00 H new ATOM 0 HB ILE A 32 0.348 8.378 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.454 6.076 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.115 6.853 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.460 6.938 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.058 8.557 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.362 7.177 4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.205 4.797 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.536 6.214 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.058 5.425 5.522 1.00 0.00 H new ATOM 453 N MET A 33 -0.287 11.115 4.016 1.00 0.00 N ATOM 454 CA MET A 33 -0.716 12.400 4.555 1.00 0.00 C ATOM 455 C MET A 33 -0.824 13.449 3.452 1.00 0.00 C ATOM 456 O MET A 33 -0.960 14.641 3.727 1.00 0.00 O ATOM 457 CB MET A 33 0.261 12.873 5.633 1.00 0.00 C ATOM 458 CG MET A 33 0.439 11.877 6.769 1.00 0.00 C ATOM 459 SD MET A 33 1.522 12.496 8.071 1.00 0.00 S ATOM 460 CE MET A 33 0.565 13.882 8.678 1.00 0.00 C ATOM 0 H MET A 33 0.724 11.003 3.947 1.00 0.00 H new ATOM 0 HA MET A 33 -1.703 12.268 4.999 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.231 13.066 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.092 13.820 6.042 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.536 11.639 7.195 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.848 10.948 6.372 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.890 14.135 9.687 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.713 14.741 8.023 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.492 13.616 8.693 1.00 0.00 H new ATOM 470 N ASP A 34 -0.766 12.998 2.202 1.00 0.00 N ATOM 471 CA ASP A 34 -0.860 13.903 1.062 1.00 0.00 C ATOM 472 C ASP A 34 -2.305 14.333 0.832 1.00 0.00 C ATOM 473 O ASP A 34 -3.221 13.511 0.867 1.00 0.00 O ATOM 474 CB ASP A 34 -0.305 13.235 -0.198 1.00 0.00 C ATOM 475 CG ASP A 34 -0.330 14.158 -1.400 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.647 14.912 -1.590 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.327 14.127 -2.151 1.00 0.00 O ATOM 0 H ASP A 34 -0.655 12.015 1.954 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.265 14.789 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.719 12.911 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.887 12.340 -0.418 1.00 0.00 H new ATOM 482 N ASP A 35 -2.501 15.627 0.596 1.00 0.00 N ATOM 483 CA ASP A 35 -3.835 16.176 0.365 1.00 0.00 C ATOM 484 C ASP A 35 -4.526 15.475 -0.801 1.00 0.00 C ATOM 485 O ASP A 35 -5.650 14.986 -0.666 1.00 0.00 O ATOM 486 CB ASP A 35 -3.745 17.677 0.087 1.00 0.00 C ATOM 487 CG ASP A 35 -3.094 18.438 1.225 1.00 0.00 C ATOM 488 OD1 ASP A 35 -3.820 18.843 2.159 1.00 0.00 O ATOM 489 OD2 ASP A 35 -1.861 18.629 1.185 1.00 0.00 O ATOM 0 H ASP A 35 -1.751 16.317 0.559 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.428 16.009 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.176 17.841 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.746 18.072 -0.085 1.00 0.00 H new ATOM 494 N GLU A 36 -3.849 15.431 -1.944 1.00 0.00 N ATOM 495 CA GLU A 36 -4.397 14.795 -3.139 1.00 0.00 C ATOM 496 C GLU A 36 -4.724 13.327 -2.879 1.00 0.00 C ATOM 497 O GLU A 36 -5.581 12.746 -3.546 1.00 0.00 O ATOM 498 CB GLU A 36 -3.408 14.913 -4.300 1.00 0.00 C ATOM 499 CG GLU A 36 -3.946 14.386 -5.620 1.00 0.00 C ATOM 500 CD GLU A 36 -5.177 15.135 -6.089 1.00 0.00 C ATOM 501 OE1 GLU A 36 -5.019 16.154 -6.793 1.00 0.00 O ATOM 502 OE2 GLU A 36 -6.300 14.703 -5.753 1.00 0.00 O ATOM 0 H GLU A 36 -2.918 15.829 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.321 15.309 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.130 15.960 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.498 14.370 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.169 14.460 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.188 13.328 -5.513 1.00 0.00 H new ATOM 509 N PHE A 37 -4.038 12.733 -1.908 1.00 0.00 N ATOM 510 CA PHE A 37 -4.256 11.332 -1.562 1.00 0.00 C ATOM 511 C PHE A 37 -5.546 11.159 -0.765 1.00 0.00 C ATOM 512 O PHE A 37 -6.226 10.141 -0.884 1.00 0.00 O ATOM 513 CB PHE A 37 -3.070 10.793 -0.759 1.00 0.00 C ATOM 514 CG PHE A 37 -3.235 9.363 -0.325 1.00 0.00 C ATOM 515 CD1 PHE A 37 -3.020 8.325 -1.216 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.606 9.059 0.976 1.00 0.00 C ATOM 517 CE1 PHE A 37 -3.172 7.009 -0.818 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.759 7.746 1.379 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.542 6.720 0.480 1.00 0.00 C ATOM 0 H PHE A 37 -3.326 13.200 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.347 10.766 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.166 10.879 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.926 11.417 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.730 8.545 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.777 9.858 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.001 6.208 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.048 7.522 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.662 5.693 0.792 1.00 0.00 H new ATOM 529 N GLN A 38 -5.876 12.158 0.047 1.00 0.00 N ATOM 530 CA GLN A 38 -7.082 12.114 0.865 1.00 0.00 C ATOM 531 C GLN A 38 -8.337 12.196 0.000 1.00 0.00 C ATOM 532 O GLN A 38 -9.229 11.353 0.102 1.00 0.00 O ATOM 533 CB GLN A 38 -7.073 13.262 1.873 1.00 0.00 C ATOM 534 CG GLN A 38 -5.887 13.225 2.822 1.00 0.00 C ATOM 535 CD GLN A 38 -5.958 12.069 3.800 1.00 0.00 C ATOM 536 OE1 GLN A 38 -7.042 11.621 4.172 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.798 11.579 4.223 1.00 0.00 N ATOM 0 H GLN A 38 -5.324 13.009 0.156 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.094 11.163 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.067 14.209 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.995 13.232 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.966 13.151 2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.841 14.162 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.922 11.981 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.783 10.801 4.882 1.00 0.00 H new ATOM 546 N LEU A 39 -8.399 13.217 -0.848 1.00 0.00 N ATOM 547 CA LEU A 39 -9.546 13.417 -1.727 1.00 0.00 C ATOM 548 C LEU A 39 -9.704 12.248 -2.696 1.00 0.00 C ATOM 549 O LEU A 39 -10.815 11.777 -2.938 1.00 0.00 O ATOM 550 CB LEU A 39 -9.393 14.732 -2.499 1.00 0.00 C ATOM 551 CG LEU A 39 -10.610 15.156 -3.326 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.674 16.671 -3.437 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.562 14.526 -4.711 1.00 0.00 C ATOM 0 H LEU A 39 -7.667 13.920 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.444 13.468 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.164 15.526 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.535 14.644 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.509 14.806 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.545 16.956 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.753 17.106 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.770 17.039 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.435 14.839 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.656 14.847 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.560 13.440 -4.617 1.00 0.00 H new ATOM 565 N LEU A 40 -8.586 11.782 -3.247 1.00 0.00 N ATOM 566 CA LEU A 40 -8.602 10.670 -4.193 1.00 0.00 C ATOM 567 C LEU A 40 -9.054 9.377 -3.519 1.00 0.00 C ATOM 568 O LEU A 40 -9.845 8.619 -4.079 1.00 0.00 O ATOM 569 CB LEU A 40 -7.213 10.485 -4.812 1.00 0.00 C ATOM 570 CG LEU A 40 -7.054 9.260 -5.718 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.167 9.588 -6.909 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.473 8.091 -4.935 1.00 0.00 C ATOM 0 H LEU A 40 -7.657 12.157 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.317 10.907 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.970 11.377 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.481 10.417 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.040 8.977 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.066 8.706 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.616 10.397 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.183 9.896 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.367 7.229 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.496 8.368 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.140 7.838 -4.111 1.00 0.00 H new ATOM 584 N GLN A 41 -8.548 9.133 -2.316 1.00 0.00 N ATOM 585 CA GLN A 41 -8.892 7.927 -1.570 1.00 0.00 C ATOM 586 C GLN A 41 -10.391 7.855 -1.292 1.00 0.00 C ATOM 587 O GLN A 41 -11.042 6.863 -1.614 1.00 0.00 O ATOM 588 CB GLN A 41 -8.117 7.880 -0.252 1.00 0.00 C ATOM 589 CG GLN A 41 -8.386 6.631 0.570 1.00 0.00 C ATOM 590 CD GLN A 41 -7.686 6.657 1.915 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.547 6.209 2.043 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.368 7.180 2.928 1.00 0.00 N ATOM 0 H GLN A 41 -7.897 9.754 -1.835 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.617 7.068 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.050 7.941 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.374 8.757 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.460 6.527 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.058 5.755 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.310 7.540 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.949 7.222 3.857 1.00 0.00 H new ATOM 601 N ARG A 42 -10.932 8.912 -0.699 1.00 0.00 N ATOM 602 CA ARG A 42 -12.352 8.962 -0.367 1.00 0.00 C ATOM 603 C ARG A 42 -13.222 8.904 -1.621 1.00 0.00 C ATOM 604 O ARG A 42 -14.322 8.350 -1.598 1.00 0.00 O ATOM 605 CB ARG A 42 -12.663 10.237 0.420 1.00 0.00 C ATOM 606 CG ARG A 42 -11.854 10.371 1.700 1.00 0.00 C ATOM 607 CD ARG A 42 -12.159 11.676 2.417 1.00 0.00 C ATOM 608 NE ARG A 42 -11.882 12.840 1.579 1.00 0.00 N ATOM 609 CZ ARG A 42 -11.927 14.095 2.018 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.230 14.349 3.284 1.00 0.00 N ATOM 611 NH2 ARG A 42 -11.668 15.098 1.189 1.00 0.00 N ATOM 0 H ARG A 42 -10.409 9.748 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.582 8.090 0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.471 11.102 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.725 10.252 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.074 9.532 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.790 10.323 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.206 11.688 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.564 11.736 3.329 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.640 12.681 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.429 13.581 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.264 15.313 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.434 14.907 0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.703 16.060 1.526 1.00 0.00 H new ATOM 625 N ASN A 43 -12.721 9.472 -2.713 1.00 0.00 N ATOM 626 CA ASN A 43 -13.459 9.496 -3.973 1.00 0.00 C ATOM 627 C ASN A 43 -13.751 8.087 -4.485 1.00 0.00 C ATOM 628 O ASN A 43 -14.885 7.775 -4.851 1.00 0.00 O ATOM 629 CB ASN A 43 -12.678 10.282 -5.029 1.00 0.00 C ATOM 630 CG ASN A 43 -13.402 11.540 -5.467 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.181 11.522 -6.422 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.150 12.642 -4.771 1.00 0.00 N ATOM 0 H ASN A 43 -11.807 9.922 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.413 9.988 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.700 10.550 -4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.504 9.646 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.609 13.518 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.498 12.612 -3.987 1.00 0.00 H new ATOM 639 N PHE A 44 -12.729 7.239 -4.507 1.00 0.00 N ATOM 640 CA PHE A 44 -12.886 5.869 -4.987 1.00 0.00 C ATOM 641 C PHE A 44 -13.544 4.978 -3.937 1.00 0.00 C ATOM 642 O PHE A 44 -14.422 4.179 -4.258 1.00 0.00 O ATOM 643 CB PHE A 44 -11.531 5.291 -5.399 1.00 0.00 C ATOM 644 CG PHE A 44 -11.056 5.787 -6.736 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.338 6.967 -6.837 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.336 5.076 -7.891 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.905 7.428 -8.066 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.906 5.533 -9.124 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.190 6.710 -9.211 1.00 0.00 C ATOM 0 H PHE A 44 -11.785 7.474 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.541 5.896 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.790 5.544 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.601 4.204 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.114 7.533 -5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.896 4.155 -7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.344 8.349 -8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.130 4.969 -10.018 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.853 7.069 -10.172 1.00 0.00 H new ATOM 659 N MET A 45 -13.120 5.115 -2.683 1.00 0.00 N ATOM 660 CA MET A 45 -13.680 4.315 -1.598 1.00 0.00 C ATOM 661 C MET A 45 -15.192 4.498 -1.506 1.00 0.00 C ATOM 662 O MET A 45 -15.902 3.627 -1.001 1.00 0.00 O ATOM 663 CB MET A 45 -13.029 4.686 -0.264 1.00 0.00 C ATOM 664 CG MET A 45 -11.581 4.237 -0.144 1.00 0.00 C ATOM 665 SD MET A 45 -10.906 4.501 1.507 1.00 0.00 S ATOM 666 CE MET A 45 -11.971 3.443 2.484 1.00 0.00 C ATOM 0 H MET A 45 -12.393 5.770 -2.394 1.00 0.00 H new ATOM 0 HA MET A 45 -13.471 3.268 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.077 5.767 -0.135 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.606 4.242 0.547 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.511 3.179 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.975 4.779 -0.871 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.535 3.301 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.953 3.907 2.583 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.074 2.476 1.991 1.00 0.00 H new ATOM 676 N ASP A 46 -15.676 5.635 -1.993 1.00 0.00 N ATOM 677 CA ASP A 46 -17.103 5.934 -1.969 1.00 0.00 C ATOM 678 C ASP A 46 -17.886 4.955 -2.841 1.00 0.00 C ATOM 679 O ASP A 46 -19.044 4.649 -2.560 1.00 0.00 O ATOM 680 CB ASP A 46 -17.353 7.366 -2.443 1.00 0.00 C ATOM 681 CG ASP A 46 -18.829 7.715 -2.475 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.356 8.164 -1.436 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.457 7.537 -3.540 1.00 0.00 O ATOM 0 H ASP A 46 -15.100 6.366 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.449 5.830 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.832 8.060 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.930 7.495 -3.439 1.00 0.00 H new ATOM 688 N LYS A 47 -17.250 4.473 -3.903 1.00 0.00 N ATOM 689 CA LYS A 47 -17.890 3.533 -4.819 1.00 0.00 C ATOM 690 C LYS A 47 -17.599 2.085 -4.425 1.00 0.00 C ATOM 691 O LYS A 47 -18.466 1.216 -4.529 1.00 0.00 O ATOM 692 CB LYS A 47 -17.417 3.785 -6.255 1.00 0.00 C ATOM 693 CG LYS A 47 -17.989 5.048 -6.884 1.00 0.00 C ATOM 694 CD LYS A 47 -17.429 6.309 -6.241 1.00 0.00 C ATOM 695 CE LYS A 47 -18.030 7.562 -6.857 1.00 0.00 C ATOM 696 NZ LYS A 47 -17.489 8.801 -6.234 1.00 0.00 N ATOM 0 H LYS A 47 -16.291 4.717 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.967 3.693 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.329 3.849 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.690 2.929 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.765 5.055 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -19.075 5.042 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.633 6.294 -5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.346 6.328 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.825 7.575 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.114 7.540 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.297 9.506 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.184 9.184 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.607 8.579 -5.730 1.00 0.00 H new ATOM 710 N TYR A 48 -16.377 1.836 -3.968 1.00 0.00 N ATOM 711 CA TYR A 48 -15.962 0.495 -3.569 1.00 0.00 C ATOM 712 C TYR A 48 -16.810 -0.048 -2.420 1.00 0.00 C ATOM 713 O TYR A 48 -17.280 -1.185 -2.474 1.00 0.00 O ATOM 714 CB TYR A 48 -14.487 0.496 -3.158 1.00 0.00 C ATOM 715 CG TYR A 48 -13.521 0.477 -4.325 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.604 1.421 -5.341 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.522 -0.485 -4.403 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.718 1.405 -6.402 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.632 -0.507 -5.461 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.735 0.440 -6.457 1.00 0.00 C ATOM 721 OH TYR A 48 -10.852 0.422 -7.512 1.00 0.00 O ATOM 0 H TYR A 48 -15.654 2.548 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.105 -0.156 -4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.290 1.380 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.296 -0.372 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.372 2.179 -5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.439 -1.228 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.796 2.145 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.861 -1.262 -5.507 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.007 0.837 -7.239 1.00 0.00 H new ATOM 731 N TYR A 49 -17.007 0.762 -1.383 1.00 0.00 N ATOM 732 CA TYR A 49 -17.784 0.334 -0.222 1.00 0.00 C ATOM 733 C TYR A 49 -19.244 0.074 -0.591 1.00 0.00 C ATOM 734 O TYR A 49 -19.977 -0.566 0.164 1.00 0.00 O ATOM 735 CB TYR A 49 -17.680 1.368 0.909 1.00 0.00 C ATOM 736 CG TYR A 49 -18.858 2.315 1.015 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.920 3.469 0.246 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.903 2.055 1.893 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.992 4.338 0.349 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.976 2.919 2.002 1.00 0.00 C ATOM 741 CZ TYR A 49 -21.016 4.058 1.228 1.00 0.00 C ATOM 742 OH TYR A 49 -22.084 4.920 1.334 1.00 0.00 O ATOM 0 H TYR A 49 -16.642 1.713 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.363 -0.607 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.570 0.840 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.773 1.954 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.119 3.692 -0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.876 1.163 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.026 5.232 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.779 2.702 2.691 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.718 4.575 1.997 1.00 0.00 H new ATOM 752 N LEU A 50 -19.662 0.571 -1.751 1.00 0.00 N ATOM 753 CA LEU A 50 -21.034 0.378 -2.209 1.00 0.00 C ATOM 754 C LEU A 50 -21.205 -0.996 -2.845 1.00 0.00 C ATOM 755 O LEU A 50 -22.171 -1.706 -2.565 1.00 0.00 O ATOM 756 CB LEU A 50 -21.424 1.468 -3.210 1.00 0.00 C ATOM 757 CG LEU A 50 -21.573 2.871 -2.618 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.844 3.887 -3.716 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.686 2.896 -1.581 1.00 0.00 C ATOM 0 H LEU A 50 -19.074 1.108 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.690 0.444 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.672 1.501 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.366 1.187 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.638 3.138 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.947 4.879 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.015 3.888 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.765 3.623 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.778 3.901 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.627 2.608 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.452 2.196 -0.779 1.00 0.00 H new ATOM 771 N GLU A 51 -20.261 -1.365 -3.703 1.00 0.00 N ATOM 772 CA GLU A 51 -20.304 -2.656 -4.380 1.00 0.00 C ATOM 773 C GLU A 51 -20.086 -3.799 -3.390 1.00 0.00 C ATOM 774 O GLU A 51 -20.684 -4.868 -3.518 1.00 0.00 O ATOM 775 CB GLU A 51 -19.244 -2.712 -5.481 1.00 0.00 C ATOM 776 CG GLU A 51 -19.369 -1.595 -6.506 1.00 0.00 C ATOM 777 CD GLU A 51 -20.663 -1.664 -7.293 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.683 -1.131 -6.807 1.00 0.00 O ATOM 779 OE2 GLU A 51 -20.655 -2.251 -8.395 1.00 0.00 O ATOM 0 H GLU A 51 -19.456 -0.788 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.291 -2.771 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.255 -2.665 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.314 -3.672 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.309 -0.633 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.526 -1.644 -7.196 1.00 0.00 H new ATOM 786 N PHE A 52 -19.231 -3.563 -2.400 1.00 0.00 N ATOM 787 CA PHE A 52 -18.929 -4.578 -1.396 1.00 0.00 C ATOM 788 C PHE A 52 -20.032 -4.670 -0.347 1.00 0.00 C ATOM 789 O PHE A 52 -19.974 -4.010 0.690 1.00 0.00 O ATOM 790 CB PHE A 52 -17.591 -4.279 -0.719 1.00 0.00 C ATOM 791 CG PHE A 52 -16.405 -4.757 -1.506 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.040 -4.130 -2.686 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.656 -5.835 -1.063 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.950 -4.570 -3.411 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.566 -6.279 -1.783 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.212 -5.646 -2.959 1.00 0.00 C ATOM 0 H PHE A 52 -18.736 -2.680 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.865 -5.538 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.504 -3.204 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.577 -4.747 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.614 -3.288 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.928 -6.333 -0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.675 -4.073 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.990 -7.121 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.359 -5.992 -3.524 1.00 0.00 H new ATOM 806 N GLU A 53 -21.040 -5.489 -0.631 1.00 0.00 N ATOM 807 CA GLU A 53 -22.152 -5.681 0.292 1.00 0.00 C ATOM 808 C GLU A 53 -21.929 -6.924 1.149 1.00 0.00 C ATOM 809 O GLU A 53 -21.468 -7.954 0.654 1.00 0.00 O ATOM 810 CB GLU A 53 -23.467 -5.804 -0.477 1.00 0.00 C ATOM 811 CG GLU A 53 -23.820 -4.565 -1.283 1.00 0.00 C ATOM 812 CD GLU A 53 -25.123 -4.713 -2.043 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.187 -4.423 -1.459 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.079 -5.121 -3.224 1.00 0.00 O ATOM 0 H GLU A 53 -21.109 -6.030 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.207 -4.811 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.406 -6.659 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.272 -6.010 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.890 -3.708 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.015 -4.353 -1.987 1.00 0.00 H new ATOM 821 N ASP A 54 -22.258 -6.825 2.434 1.00 0.00 N ATOM 822 CA ASP A 54 -22.092 -7.938 3.354 1.00 0.00 C ATOM 823 C ASP A 54 -23.045 -9.080 3.015 1.00 0.00 C ATOM 824 O ASP A 54 -24.204 -9.081 3.433 1.00 0.00 O ATOM 825 CB ASP A 54 -22.323 -7.463 4.786 1.00 0.00 C ATOM 826 CG ASP A 54 -23.589 -6.640 4.930 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.542 -5.424 4.649 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.627 -7.211 5.325 1.00 0.00 O ATOM 0 H ASP A 54 -22.642 -5.981 2.859 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.073 -8.314 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.379 -8.328 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.469 -6.869 5.110 1.00 0.00 H new ATOM 833 N THR A 55 -22.550 -10.050 2.252 1.00 0.00 N ATOM 834 CA THR A 55 -23.356 -11.200 1.854 1.00 0.00 C ATOM 835 C THR A 55 -22.507 -12.465 1.771 1.00 0.00 C ATOM 836 O THR A 55 -21.305 -12.400 1.510 1.00 0.00 O ATOM 837 CB THR A 55 -24.037 -10.969 0.494 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.059 -10.611 -0.491 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.090 -9.874 0.590 1.00 0.00 C ATOM 0 H THR A 55 -21.594 -10.063 1.897 1.00 0.00 H new ATOM 0 HA THR A 55 -24.122 -11.325 2.620 1.00 0.00 H new ATOM 0 HB THR A 55 -24.528 -11.897 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.501 -10.467 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.556 -9.731 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.850 -10.162 1.316 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.619 -8.943 0.907 1.00 0.00 H new ATOM 847 N GLU A 56 -23.141 -13.612 1.992 1.00 0.00 N ATOM 848 CA GLU A 56 -22.446 -14.894 1.939 1.00 0.00 C ATOM 849 C GLU A 56 -22.143 -15.291 0.498 1.00 0.00 C ATOM 850 O GLU A 56 -21.172 -15.997 0.229 1.00 0.00 O ATOM 851 CB GLU A 56 -23.285 -15.982 2.612 1.00 0.00 C ATOM 852 CG GLU A 56 -23.518 -15.742 4.094 1.00 0.00 C ATOM 853 CD GLU A 56 -22.241 -15.826 4.908 1.00 0.00 C ATOM 854 OE1 GLU A 56 -21.557 -14.791 5.047 1.00 0.00 O ATOM 855 OE2 GLU A 56 -21.925 -16.929 5.404 1.00 0.00 O ATOM 0 H GLU A 56 -24.135 -13.680 2.210 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.502 -14.788 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.249 -16.050 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.789 -16.944 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.968 -14.759 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.232 -16.475 4.469 1.00 0.00 H new ATOM 862 N GLU A 57 -22.981 -14.829 -0.426 1.00 0.00 N ATOM 863 CA GLU A 57 -22.805 -15.137 -1.840 1.00 0.00 C ATOM 864 C GLU A 57 -21.595 -14.403 -2.411 1.00 0.00 C ATOM 865 O GLU A 57 -21.409 -13.210 -2.172 1.00 0.00 O ATOM 866 CB GLU A 57 -24.063 -14.765 -2.630 1.00 0.00 C ATOM 867 CG GLU A 57 -25.265 -15.644 -2.318 1.00 0.00 C ATOM 868 CD GLU A 57 -25.713 -15.534 -0.874 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.452 -14.581 -0.552 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.324 -16.403 -0.064 1.00 0.00 O ATOM 0 H GLU A 57 -23.788 -14.240 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.634 -16.210 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.319 -13.727 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.844 -14.830 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -26.092 -15.367 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.017 -16.682 -2.539 1.00 0.00 H new ATOM 877 N ASN A 58 -20.776 -15.128 -3.167 1.00 0.00 N ATOM 878 CA ASN A 58 -19.583 -14.550 -3.775 1.00 0.00 C ATOM 879 C ASN A 58 -19.875 -14.059 -5.189 1.00 0.00 C ATOM 880 O ASN A 58 -20.609 -14.702 -5.939 1.00 0.00 O ATOM 881 CB ASN A 58 -18.448 -15.579 -3.805 1.00 0.00 C ATOM 882 CG ASN A 58 -17.861 -15.852 -2.431 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.676 -16.161 -2.303 1.00 0.00 O ATOM 884 ND2 ASN A 58 -18.686 -15.743 -1.394 1.00 0.00 N ATOM 0 H ASN A 58 -20.917 -16.117 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.276 -13.697 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.821 -16.512 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.659 -15.223 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.344 -15.918 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.661 -15.485 -1.543 1.00 0.00 H new ATOM 891 N LYS A 59 -19.298 -12.917 -5.545 1.00 0.00 N ATOM 892 CA LYS A 59 -19.495 -12.339 -6.869 1.00 0.00 C ATOM 893 C LYS A 59 -18.168 -12.199 -7.605 1.00 0.00 C ATOM 894 O LYS A 59 -17.120 -12.009 -6.987 1.00 0.00 O ATOM 895 CB LYS A 59 -20.180 -10.974 -6.758 1.00 0.00 C ATOM 896 CG LYS A 59 -21.579 -11.042 -6.161 1.00 0.00 C ATOM 897 CD LYS A 59 -22.230 -9.668 -6.084 1.00 0.00 C ATOM 898 CE LYS A 59 -21.781 -8.897 -4.851 1.00 0.00 C ATOM 899 NZ LYS A 59 -20.349 -8.496 -4.927 1.00 0.00 N ATOM 0 H LYS A 59 -18.689 -12.372 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.135 -13.012 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.564 -10.316 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.238 -10.524 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.200 -11.705 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.527 -11.476 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.982 -9.098 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.314 -9.780 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.400 -8.007 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.938 -9.511 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.226 -7.561 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.766 -9.194 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.053 -8.452 -5.923 1.00 0.00 H new ATOM 913 N LEU A 60 -18.216 -12.302 -8.928 1.00 0.00 N ATOM 914 CA LEU A 60 -17.018 -12.187 -9.749 1.00 0.00 C ATOM 915 C LEU A 60 -16.633 -10.725 -9.955 1.00 0.00 C ATOM 916 O LEU A 60 -15.565 -10.425 -10.486 1.00 0.00 O ATOM 917 CB LEU A 60 -17.232 -12.871 -11.101 1.00 0.00 C ATOM 918 CG LEU A 60 -17.436 -14.386 -11.037 1.00 0.00 C ATOM 919 CD1 LEU A 60 -17.762 -14.939 -12.415 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.201 -15.067 -10.467 1.00 0.00 C ATOM 0 H LEU A 60 -19.074 -12.465 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.201 -12.684 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.101 -12.423 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.371 -12.662 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.278 -14.592 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.904 -16.018 -12.350 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.676 -14.475 -12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.941 -14.722 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.364 -16.144 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.341 -14.853 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.011 -14.693 -9.461 1.00 0.00 H new ATOM 932 N ILE A 61 -17.511 -9.821 -9.532 1.00 0.00 N ATOM 933 CA ILE A 61 -17.266 -8.388 -9.672 1.00 0.00 C ATOM 934 C ILE A 61 -16.088 -7.940 -8.806 1.00 0.00 C ATOM 935 O ILE A 61 -15.572 -6.832 -8.965 1.00 0.00 O ATOM 936 CB ILE A 61 -18.518 -7.568 -9.292 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.356 -6.105 -9.715 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.783 -7.663 -7.797 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.253 -5.912 -11.213 1.00 0.00 C ATOM 0 H ILE A 61 -18.400 -10.055 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.026 -8.207 -10.720 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.374 -7.985 -9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.205 -5.532 -9.341 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.463 -5.696 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.669 -7.079 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -18.945 -8.705 -7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -17.925 -7.273 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.140 -4.851 -11.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.388 -6.456 -11.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.157 -6.289 -11.691 1.00 0.00 H new ATOM 951 N TYR A 62 -15.662 -8.811 -7.897 1.00 0.00 N ATOM 952 CA TYR A 62 -14.549 -8.498 -7.008 1.00 0.00 C ATOM 953 C TYR A 62 -13.221 -8.482 -7.762 1.00 0.00 C ATOM 954 O TYR A 62 -12.267 -7.834 -7.333 1.00 0.00 O ATOM 955 CB TYR A 62 -14.481 -9.506 -5.855 1.00 0.00 C ATOM 956 CG TYR A 62 -15.648 -9.420 -4.894 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.078 -8.195 -4.394 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.317 -10.566 -4.483 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.141 -8.118 -3.514 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.381 -10.496 -3.604 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.788 -9.270 -3.122 1.00 0.00 C ATOM 962 OH TYR A 62 -18.847 -9.196 -2.247 1.00 0.00 O ATOM 0 H TYR A 62 -16.069 -9.736 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.723 -7.502 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.437 -10.514 -6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.555 -9.348 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.573 -7.290 -4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.000 -11.528 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.463 -7.159 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.891 -11.397 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.192 -10.097 -2.074 1.00 0.00 H new ATOM 972 N THR A 63 -13.161 -9.192 -8.887 1.00 0.00 N ATOM 973 CA THR A 63 -11.936 -9.247 -9.680 1.00 0.00 C ATOM 974 C THR A 63 -11.687 -7.930 -10.422 1.00 0.00 C ATOM 975 O THR A 63 -10.600 -7.360 -10.314 1.00 0.00 O ATOM 976 CB THR A 63 -11.951 -10.416 -10.687 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.131 -11.658 -9.994 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.655 -10.461 -11.485 1.00 0.00 C ATOM 0 H THR A 63 -13.939 -9.732 -9.267 1.00 0.00 H new ATOM 0 HA THR A 63 -11.122 -9.413 -8.975 1.00 0.00 H new ATOM 0 HB THR A 63 -12.780 -10.260 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.141 -12.395 -10.640 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.689 -11.293 -12.188 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.533 -9.527 -12.034 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.814 -10.595 -10.805 1.00 0.00 H new ATOM 986 N PRO A 64 -12.677 -7.417 -11.189 1.00 0.00 N ATOM 987 CA PRO A 64 -12.521 -6.153 -11.917 1.00 0.00 C ATOM 988 C PRO A 64 -12.265 -4.982 -10.976 1.00 0.00 C ATOM 989 O PRO A 64 -11.359 -4.180 -11.202 1.00 0.00 O ATOM 990 CB PRO A 64 -13.861 -5.974 -12.641 1.00 0.00 C ATOM 991 CG PRO A 64 -14.460 -7.336 -12.682 1.00 0.00 C ATOM 992 CD PRO A 64 -14.002 -8.017 -11.427 1.00 0.00 C ATOM 0 HA PRO A 64 -11.666 -6.178 -12.593 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.507 -5.275 -12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.717 -5.575 -13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.548 -7.284 -12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.132 -7.882 -13.566 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.683 -7.833 -10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.939 -9.098 -11.554 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.070 -4.889 -9.918 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.925 -3.814 -8.941 1.00 0.00 C ATOM 1002 C ILE A 65 -11.531 -3.828 -8.321 1.00 0.00 C ATOM 1003 O ILE A 65 -10.927 -2.777 -8.102 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.983 -3.923 -7.824 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.390 -3.823 -8.418 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.767 -2.842 -6.774 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.493 -4.083 -7.414 1.00 0.00 C ATOM 0 H ILE A 65 -13.826 -5.543 -9.717 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.073 -2.874 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.878 -4.894 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.525 -2.829 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.481 -4.536 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.523 -2.936 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.776 -2.955 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.847 -1.860 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.461 -3.995 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.384 -5.088 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.429 -3.354 -6.606 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.027 -5.026 -8.039 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.702 -5.176 -7.447 1.00 0.00 C ATOM 1021 C PHE A 66 -8.628 -4.640 -8.387 1.00 0.00 C ATOM 1022 O PHE A 66 -7.713 -3.935 -7.960 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.431 -6.647 -7.124 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.106 -6.886 -6.454 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -7.952 -6.665 -5.095 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.018 -7.337 -7.185 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.736 -6.888 -4.476 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.800 -7.562 -6.571 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.659 -7.337 -5.215 1.00 0.00 C ATOM 0 H PHE A 66 -11.515 -5.905 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.672 -4.599 -6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.226 -7.020 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.471 -7.226 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.791 -6.315 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.123 -7.514 -8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.628 -6.711 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.959 -7.913 -7.151 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.708 -7.512 -4.734 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.747 -4.976 -9.668 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.788 -4.529 -10.673 1.00 0.00 C ATOM 1041 C ASN A 67 -7.690 -3.008 -10.692 1.00 0.00 C ATOM 1042 O ASN A 67 -6.606 -2.449 -10.859 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.191 -5.040 -12.056 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.255 -6.552 -12.121 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.529 -7.247 -11.409 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.125 -7.071 -12.978 1.00 0.00 N ATOM 0 H ASN A 67 -9.500 -5.558 -10.035 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.811 -4.936 -10.412 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.164 -4.627 -12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.477 -4.678 -12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.212 -8.083 -13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.707 -6.457 -13.548 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.829 -2.346 -10.523 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.874 -0.888 -10.520 1.00 0.00 C ATOM 1055 C GLU A 68 -8.095 -0.322 -9.335 1.00 0.00 C ATOM 1056 O GLU A 68 -7.340 0.636 -9.481 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.324 -0.402 -10.474 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.464 1.111 -10.517 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.862 1.718 -11.768 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.521 1.667 -12.828 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.732 2.246 -11.688 1.00 0.00 O ATOM 0 H GLU A 68 -9.734 -2.796 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.409 -0.532 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.869 -0.832 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.794 -0.776 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.520 1.376 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.981 1.542 -9.640 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.285 -0.924 -8.165 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.606 -0.479 -6.951 1.00 0.00 C ATOM 1070 C TYR A 69 -6.089 -0.562 -7.102 1.00 0.00 C ATOM 1071 O TYR A 69 -5.354 0.255 -6.549 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.055 -1.327 -5.758 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.560 -0.818 -4.422 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.280 0.134 -3.712 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.377 -1.293 -3.871 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.835 0.599 -2.488 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.926 -0.834 -2.648 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.658 0.112 -1.960 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.211 0.571 -0.743 1.00 0.00 O ATOM 0 H TYR A 69 -8.905 -1.723 -8.031 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.875 0.563 -6.779 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.144 -1.364 -5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.704 -2.349 -5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.202 0.517 -4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.800 -2.033 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.406 1.340 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.004 -1.214 -2.232 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.769 -0.159 -0.260 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.630 -1.553 -7.854 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.201 -1.746 -8.073 1.00 0.00 C ATOM 1091 C ILE A 70 -3.638 -0.694 -9.024 1.00 0.00 C ATOM 1092 O ILE A 70 -2.737 0.063 -8.666 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.912 -3.149 -8.642 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.504 -4.230 -7.731 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.412 -3.355 -8.820 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.882 -4.282 -6.350 1.00 0.00 C ATOM 0 H ILE A 70 -6.225 -2.236 -8.323 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.714 -1.644 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.386 -3.230 -9.620 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.575 -4.058 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.381 -5.201 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.227 -4.351 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.021 -2.606 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.914 -3.255 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.355 -5.072 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.815 -4.486 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.028 -3.325 -5.849 1.00 0.00 H new ATOM 1108 N SER A 71 -4.176 -0.651 -10.236 1.00 0.00 N ATOM 1109 CA SER A 71 -3.720 0.301 -11.243 1.00 0.00 C ATOM 1110 C SER A 71 -3.911 1.745 -10.785 1.00 0.00 C ATOM 1111 O SER A 71 -3.204 2.642 -11.237 1.00 0.00 O ATOM 1112 CB SER A 71 -4.465 0.075 -12.561 1.00 0.00 C ATOM 1113 OG SER A 71 -4.237 -1.230 -13.061 1.00 0.00 O ATOM 0 H SER A 71 -4.929 -1.264 -10.547 1.00 0.00 H new ATOM 0 HA SER A 71 -2.653 0.133 -11.392 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.533 0.227 -12.409 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.140 0.811 -13.296 1.00 0.00 H new ATOM 0 HG SER A 71 -4.726 -1.348 -13.902 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.883 1.976 -9.906 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.149 3.325 -9.414 1.00 0.00 C ATOM 1121 C LEU A 72 -4.347 3.643 -8.152 1.00 0.00 C ATOM 1122 O LEU A 72 -3.488 4.526 -8.159 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.652 3.494 -9.145 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.140 4.926 -8.866 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.820 5.344 -7.439 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.537 5.911 -9.859 1.00 0.00 C ATOM 0 H LEU A 72 -5.494 1.255 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.834 4.028 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.199 3.108 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.919 2.870 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.223 4.937 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.176 6.360 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.312 4.666 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.742 5.306 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.898 6.916 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.450 5.890 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.831 5.633 -10.871 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.623 2.914 -7.074 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.950 3.142 -5.795 1.00 0.00 C ATOM 1140 C VAL A 73 -2.510 2.631 -5.778 1.00 0.00 C ATOM 1141 O VAL A 73 -1.574 3.409 -5.598 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.726 2.492 -4.634 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.077 2.825 -3.299 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.180 2.938 -4.653 1.00 0.00 C ATOM 0 H VAL A 73 -5.309 2.159 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.925 4.224 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.696 1.410 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.641 2.356 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.053 2.452 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.071 3.906 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.715 2.470 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.229 4.022 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.639 2.642 -5.596 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.339 1.323 -5.960 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.008 0.715 -5.935 1.00 0.00 C ATOM 1156 C GLU A 74 -0.055 1.416 -6.898 1.00 0.00 C ATOM 1157 O GLU A 74 1.121 1.614 -6.586 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.090 -0.776 -6.271 1.00 0.00 C ATOM 1159 CG GLU A 74 0.236 -1.505 -6.125 1.00 0.00 C ATOM 1160 CD GLU A 74 0.133 -2.980 -6.457 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.256 -3.764 -5.565 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.441 -3.353 -7.609 1.00 0.00 O ATOM 0 H GLU A 74 -3.101 0.665 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.614 0.830 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.828 -1.247 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.448 -0.890 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.975 -1.041 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.598 -1.391 -5.103 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.564 1.795 -8.064 1.00 0.00 N ATOM 1170 CA LYS A 75 0.252 2.470 -9.065 1.00 0.00 C ATOM 1171 C LYS A 75 0.548 3.906 -8.642 1.00 0.00 C ATOM 1172 O LYS A 75 1.619 4.438 -8.933 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.451 2.456 -10.422 1.00 0.00 C ATOM 1174 CG LYS A 75 0.465 2.802 -11.585 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.288 2.824 -12.907 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.736 1.430 -13.322 1.00 0.00 C ATOM 1177 NZ LYS A 75 -1.441 1.439 -14.634 1.00 0.00 N ATOM 0 H LYS A 75 -1.535 1.647 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 75 1.197 1.934 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.880 1.468 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.280 3.164 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.923 3.776 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.275 2.074 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.158 3.475 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.350 3.247 -13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.132 0.773 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.396 1.019 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.729 0.470 -14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.283 2.046 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.803 1.807 -15.368 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.409 4.529 -7.958 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.244 5.901 -7.490 1.00 0.00 C ATOM 1193 C TYR A 76 0.940 6.007 -6.534 1.00 0.00 C ATOM 1194 O TYR A 76 1.773 6.906 -6.656 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.523 6.385 -6.801 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.450 7.813 -6.307 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.455 8.880 -7.197 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.378 8.093 -4.948 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.391 10.186 -6.747 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.314 9.396 -4.491 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.321 10.438 -5.393 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.258 11.735 -4.941 1.00 0.00 O ATOM 0 H TYR A 76 -1.305 4.106 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.047 6.535 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.356 6.294 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.740 5.730 -5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.510 8.686 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.372 7.280 -4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.396 11.004 -7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.259 9.597 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.214 11.738 -3.962 1.00 0.00 H new ATOM 1212 N ILE A 77 1.008 5.080 -5.581 1.00 0.00 N ATOM 1213 CA ILE A 77 2.093 5.065 -4.606 1.00 0.00 C ATOM 1214 C ILE A 77 3.432 4.806 -5.288 1.00 0.00 C ATOM 1215 O ILE A 77 4.436 5.440 -4.965 1.00 0.00 O ATOM 1216 CB ILE A 77 1.871 3.987 -3.523 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.522 4.190 -2.828 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.005 4.016 -2.507 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.169 3.083 -1.853 1.00 0.00 C ATOM 0 H ILE A 77 0.325 4.331 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 77 2.104 6.046 -4.132 1.00 0.00 H new ATOM 0 HB ILE A 77 1.863 3.010 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.536 5.141 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.260 4.260 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.835 3.251 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.951 3.822 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.042 4.996 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.799 3.293 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.122 2.132 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.930 3.027 -1.075 1.00 0.00 H new ATOM 1231 N GLU A 78 3.435 3.871 -6.235 1.00 0.00 N ATOM 1232 CA GLU A 78 4.651 3.518 -6.959 1.00 0.00 C ATOM 1233 C GLU A 78 5.245 4.724 -7.686 1.00 0.00 C ATOM 1234 O GLU A 78 6.427 5.018 -7.543 1.00 0.00 O ATOM 1235 CB GLU A 78 4.361 2.398 -7.962 1.00 0.00 C ATOM 1236 CG GLU A 78 5.602 1.873 -8.667 1.00 0.00 C ATOM 1237 CD GLU A 78 5.292 0.736 -9.621 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.008 1.015 -10.805 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.334 -0.434 -9.185 1.00 0.00 O ATOM 0 H GLU A 78 2.608 3.345 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 78 5.382 3.173 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.873 1.574 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.657 2.765 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.074 2.686 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.322 1.532 -7.923 1.00 0.00 H new ATOM 1246 N GLU A 79 4.418 5.425 -8.456 1.00 0.00 N ATOM 1247 CA GLU A 79 4.879 6.591 -9.206 1.00 0.00 C ATOM 1248 C GLU A 79 5.526 7.624 -8.290 1.00 0.00 C ATOM 1249 O GLU A 79 6.648 8.066 -8.536 1.00 0.00 O ATOM 1250 CB GLU A 79 3.715 7.232 -9.964 1.00 0.00 C ATOM 1251 CG GLU A 79 3.154 6.359 -11.072 1.00 0.00 C ATOM 1252 CD GLU A 79 2.012 7.024 -11.815 1.00 0.00 C ATOM 1253 OE1 GLU A 79 2.288 7.837 -12.722 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.842 6.731 -11.490 1.00 0.00 O ATOM 0 H GLU A 79 3.429 5.208 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 79 5.629 6.248 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.918 7.465 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.048 8.177 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.949 6.117 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.807 5.417 -10.647 1.00 0.00 H new ATOM 1261 N GLN A 80 4.815 8.000 -7.234 1.00 0.00 N ATOM 1262 CA GLN A 80 5.312 8.990 -6.286 1.00 0.00 C ATOM 1263 C GLN A 80 6.631 8.551 -5.652 1.00 0.00 C ATOM 1264 O GLN A 80 7.460 9.386 -5.289 1.00 0.00 O ATOM 1265 CB GLN A 80 4.269 9.244 -5.196 1.00 0.00 C ATOM 1266 CG GLN A 80 2.983 9.864 -5.720 1.00 0.00 C ATOM 1267 CD GLN A 80 3.200 11.230 -6.344 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.492 11.619 -7.274 1.00 0.00 O ATOM 1269 NE2 GLN A 80 4.179 11.970 -5.834 1.00 0.00 N ATOM 0 H GLN A 80 3.890 7.633 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 80 5.496 9.913 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.034 8.301 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.698 9.901 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.539 9.198 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.268 9.953 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.742 11.610 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.367 12.898 -6.213 1.00 0.00 H new ATOM 1278 N LEU A 81 6.823 7.242 -5.519 1.00 0.00 N ATOM 1279 CA LEU A 81 8.044 6.708 -4.920 1.00 0.00 C ATOM 1280 C LEU A 81 9.197 6.721 -5.914 1.00 0.00 C ATOM 1281 O LEU A 81 10.344 6.985 -5.553 1.00 0.00 O ATOM 1282 CB LEU A 81 7.808 5.283 -4.415 1.00 0.00 C ATOM 1283 CG LEU A 81 6.937 5.171 -3.163 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.637 3.713 -2.854 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.620 5.837 -1.977 1.00 0.00 C ATOM 0 H LEU A 81 6.152 6.533 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 81 8.311 7.348 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.344 4.704 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.774 4.823 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 81 5.995 5.686 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.016 3.651 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.108 3.264 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.571 3.177 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.986 5.748 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.576 5.350 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.787 6.891 -2.198 1.00 0.00 H new ATOM 1297 N LEU A 82 8.876 6.443 -7.169 1.00 0.00 N ATOM 1298 CA LEU A 82 9.874 6.392 -8.226 1.00 0.00 C ATOM 1299 C LEU A 82 10.417 7.779 -8.548 1.00 0.00 C ATOM 1300 O LEU A 82 11.522 7.914 -9.073 1.00 0.00 O ATOM 1301 CB LEU A 82 9.272 5.752 -9.482 1.00 0.00 C ATOM 1302 CG LEU A 82 8.960 4.247 -9.400 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.916 3.463 -10.283 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.036 3.722 -7.972 1.00 0.00 C ATOM 0 H LEU A 82 7.925 6.248 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 82 10.707 5.783 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.350 6.279 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.960 5.914 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 82 7.937 4.111 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.685 2.400 -10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.810 3.793 -11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.940 3.633 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.808 2.656 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.040 3.882 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.314 4.252 -7.351 1.00 0.00 H new ATOM 1316 N GLN A 83 9.635 8.808 -8.234 1.00 0.00 N ATOM 1317 CA GLN A 83 10.049 10.184 -8.485 1.00 0.00 C ATOM 1318 C GLN A 83 11.381 10.481 -7.800 1.00 0.00 C ATOM 1319 O GLN A 83 12.069 11.440 -8.150 1.00 0.00 O ATOM 1320 CB GLN A 83 8.979 11.160 -7.995 1.00 0.00 C ATOM 1321 CG GLN A 83 7.690 11.103 -8.798 1.00 0.00 C ATOM 1322 CD GLN A 83 7.869 11.575 -10.228 1.00 0.00 C ATOM 1323 OE1 GLN A 83 7.722 12.762 -10.524 1.00 0.00 O ATOM 1324 NE2 GLN A 83 8.183 10.648 -11.125 1.00 0.00 N ATOM 0 H GLN A 83 8.714 8.715 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 83 10.176 10.310 -9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.756 10.947 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.378 12.174 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.314 10.080 -8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.935 11.718 -8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.295 9.676 -10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.312 10.908 -12.103 1.00 0.00 H new ATOM 1333 N ARG A 84 11.737 9.650 -6.822 1.00 0.00 N ATOM 1334 CA ARG A 84 12.985 9.821 -6.088 1.00 0.00 C ATOM 1335 C ARG A 84 13.872 8.584 -6.226 1.00 0.00 C ATOM 1336 O ARG A 84 15.080 8.647 -6.001 1.00 0.00 O ATOM 1337 CB ARG A 84 12.696 10.096 -4.610 1.00 0.00 C ATOM 1338 CG ARG A 84 13.941 10.336 -3.765 1.00 0.00 C ATOM 1339 CD ARG A 84 14.597 11.671 -4.087 1.00 0.00 C ATOM 1340 NE ARG A 84 15.201 11.684 -5.416 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.458 12.794 -6.100 1.00 0.00 C ATOM 1342 NH1 ARG A 84 15.166 13.980 -5.582 1.00 0.00 N ATOM 1343 NH2 ARG A 84 16.007 12.719 -7.304 1.00 0.00 N ATOM 0 H ARG A 84 11.177 8.852 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 84 13.515 10.674 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.046 10.967 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.146 9.251 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.674 10.308 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.655 9.530 -3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.853 12.465 -4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.361 11.887 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 84 15.440 10.790 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.743 14.042 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.365 14.830 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.232 11.809 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.204 13.571 -7.829 1.00 0.00 H new ATOM 1357 N ILE A 85 13.263 7.463 -6.604 1.00 0.00 N ATOM 1358 CA ILE A 85 13.997 6.210 -6.764 1.00 0.00 C ATOM 1359 C ILE A 85 13.666 5.542 -8.103 1.00 0.00 C ATOM 1360 O ILE A 85 12.661 4.842 -8.215 1.00 0.00 O ATOM 1361 CB ILE A 85 13.674 5.227 -5.620 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.839 5.920 -4.263 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.568 3.999 -5.710 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.280 5.126 -3.101 1.00 0.00 C ATOM 0 H ILE A 85 12.265 7.396 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 85 15.058 6.457 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 85 12.638 4.903 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.898 6.107 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.345 6.891 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.329 3.314 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.405 3.499 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.612 4.303 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.433 5.680 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.213 4.961 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.790 4.165 -3.038 1.00 0.00 H new ATOM 1376 N PRO A 86 14.505 5.751 -9.139 1.00 0.00 N ATOM 1377 CA PRO A 86 14.280 5.161 -10.464 1.00 0.00 C ATOM 1378 C PRO A 86 14.624 3.676 -10.506 1.00 0.00 C ATOM 1379 O PRO A 86 14.268 2.969 -11.449 1.00 0.00 O ATOM 1380 CB PRO A 86 15.221 5.957 -11.367 1.00 0.00 C ATOM 1381 CG PRO A 86 16.335 6.376 -10.472 1.00 0.00 C ATOM 1382 CD PRO A 86 15.730 6.577 -9.107 1.00 0.00 C ATOM 0 HA PRO A 86 13.233 5.215 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.585 5.349 -12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.717 6.819 -11.803 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.116 5.617 -10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.797 7.295 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.409 6.255 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.500 7.626 -8.922 1.00 0.00 H new ATOM 1390 N GLU A 87 15.318 3.215 -9.476 1.00 0.00 N ATOM 1391 CA GLU A 87 15.717 1.813 -9.378 1.00 0.00 C ATOM 1392 C GLU A 87 14.848 1.081 -8.360 1.00 0.00 C ATOM 1393 O GLU A 87 15.197 -0.002 -7.887 1.00 0.00 O ATOM 1394 CB GLU A 87 17.191 1.705 -8.982 1.00 0.00 C ATOM 1395 CG GLU A 87 18.142 2.338 -9.987 1.00 0.00 C ATOM 1396 CD GLU A 87 18.038 1.710 -11.363 1.00 0.00 C ATOM 1397 OE1 GLU A 87 18.653 0.645 -11.578 1.00 0.00 O ATOM 1398 OE2 GLU A 87 17.342 2.285 -12.226 1.00 0.00 O ATOM 0 H GLU A 87 15.619 3.792 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 87 15.580 1.348 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.333 2.180 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.450 0.653 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.929 3.404 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.165 2.242 -9.624 1.00 0.00 H new ATOM 1405 N PHE A 88 13.712 1.685 -8.031 1.00 0.00 N ATOM 1406 CA PHE A 88 12.784 1.116 -7.062 1.00 0.00 C ATOM 1407 C PHE A 88 12.154 -0.173 -7.577 1.00 0.00 C ATOM 1408 O PHE A 88 11.944 -0.341 -8.778 1.00 0.00 O ATOM 1409 CB PHE A 88 11.687 2.126 -6.739 1.00 0.00 C ATOM 1410 CG PHE A 88 10.872 1.766 -5.529 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.359 2.000 -4.254 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.615 1.199 -5.671 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.608 1.673 -3.141 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.861 0.869 -4.561 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.357 1.107 -3.294 1.00 0.00 C ATOM 0 H PHE A 88 13.410 2.576 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 88 13.349 0.880 -6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.141 3.105 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.024 2.216 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.336 2.443 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.221 1.013 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.999 1.860 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.884 0.425 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.768 0.851 -2.425 1.00 0.00 H new ATOM 1425 N ASN A 89 11.854 -1.080 -6.651 1.00 0.00 N ATOM 1426 CA ASN A 89 11.232 -2.353 -6.990 1.00 0.00 C ATOM 1427 C ASN A 89 10.083 -2.653 -6.035 1.00 0.00 C ATOM 1428 O ASN A 89 10.291 -3.208 -4.956 1.00 0.00 O ATOM 1429 CB ASN A 89 12.263 -3.482 -6.945 1.00 0.00 C ATOM 1430 CG ASN A 89 13.316 -3.347 -8.027 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.341 -2.693 -7.834 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.067 -3.968 -9.174 1.00 0.00 N ATOM 0 H ASN A 89 12.034 -0.954 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 89 10.836 -2.283 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.748 -3.489 -5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.754 -4.440 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.739 -3.914 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.204 -4.499 -9.290 1.00 0.00 H new ATOM 1439 N MET A 90 8.872 -2.274 -6.434 1.00 0.00 N ATOM 1440 CA MET A 90 7.685 -2.492 -5.610 1.00 0.00 C ATOM 1441 C MET A 90 7.496 -3.973 -5.293 1.00 0.00 C ATOM 1442 O MET A 90 6.912 -4.328 -4.269 1.00 0.00 O ATOM 1443 CB MET A 90 6.444 -1.950 -6.321 1.00 0.00 C ATOM 1444 CG MET A 90 5.580 -1.050 -5.451 1.00 0.00 C ATOM 1445 SD MET A 90 4.928 -1.897 -3.998 1.00 0.00 S ATOM 1446 CE MET A 90 3.988 -0.577 -3.232 1.00 0.00 C ATOM 0 H MET A 90 8.686 -1.813 -7.325 1.00 0.00 H new ATOM 0 HA MET A 90 7.826 -1.958 -4.670 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.757 -1.393 -7.204 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.842 -2.789 -6.670 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.168 -0.189 -5.131 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.750 -0.666 -6.045 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.522 -0.945 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.654 0.252 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.215 -0.234 -3.920 1.00 0.00 H new ATOM 1456 N ALA A 91 7.993 -4.833 -6.177 1.00 0.00 N ATOM 1457 CA ALA A 91 7.872 -6.275 -5.993 1.00 0.00 C ATOM 1458 C ALA A 91 8.799 -6.777 -4.890 1.00 0.00 C ATOM 1459 O ALA A 91 8.351 -7.385 -3.918 1.00 0.00 O ATOM 1460 CB ALA A 91 8.163 -6.998 -7.299 1.00 0.00 C ATOM 0 H ALA A 91 8.483 -4.556 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 91 6.847 -6.489 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.069 -8.073 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.452 -6.675 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.176 -6.764 -7.626 1.00 0.00 H new ATOM 1466 N ALA A 92 10.094 -6.518 -5.048 1.00 0.00 N ATOM 1467 CA ALA A 92 11.088 -6.945 -4.069 1.00 0.00 C ATOM 1468 C ALA A 92 10.928 -6.198 -2.749 1.00 0.00 C ATOM 1469 O ALA A 92 11.319 -6.696 -1.693 1.00 0.00 O ATOM 1470 CB ALA A 92 12.491 -6.745 -4.623 1.00 0.00 C ATOM 0 H ALA A 92 10.480 -6.014 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 92 10.930 -8.005 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.224 -7.067 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.610 -7.334 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.645 -5.690 -4.851 1.00 0.00 H new ATOM 1476 N PHE A 93 10.350 -5.003 -2.816 1.00 0.00 N ATOM 1477 CA PHE A 93 10.145 -4.185 -1.625 1.00 0.00 C ATOM 1478 C PHE A 93 9.086 -4.793 -0.713 1.00 0.00 C ATOM 1479 O PHE A 93 9.323 -4.990 0.478 1.00 0.00 O ATOM 1480 CB PHE A 93 9.744 -2.761 -2.018 1.00 0.00 C ATOM 1481 CG PHE A 93 9.479 -1.867 -0.840 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.509 -1.497 0.009 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.200 -1.402 -0.580 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.269 -0.677 1.096 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.954 -0.583 0.505 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.990 -0.219 1.344 1.00 0.00 C ATOM 0 H PHE A 93 10.015 -4.579 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 93 11.087 -4.151 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.536 -2.323 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.851 -2.802 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.511 -1.853 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.387 -1.683 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.081 -0.395 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.953 -0.227 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.800 0.422 2.192 1.00 0.00 H new ATOM 1496 N THR A 94 7.917 -5.088 -1.275 1.00 0.00 N ATOM 1497 CA THR A 94 6.824 -5.672 -0.504 1.00 0.00 C ATOM 1498 C THR A 94 7.216 -7.030 0.067 1.00 0.00 C ATOM 1499 O THR A 94 6.952 -7.322 1.234 1.00 0.00 O ATOM 1500 CB THR A 94 5.553 -5.838 -1.359 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.850 -6.593 -2.540 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.978 -4.484 -1.746 1.00 0.00 C ATOM 0 H THR A 94 7.703 -4.932 -2.260 1.00 0.00 H new ATOM 0 HA THR A 94 6.615 -4.982 0.313 1.00 0.00 H new ATOM 0 HB THR A 94 4.811 -6.372 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.229 -5.999 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.082 -4.628 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.723 -3.926 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.717 -3.926 -2.322 1.00 0.00 H new ATOM 1510 N THR A 95 7.846 -7.858 -0.761 1.00 0.00 N ATOM 1511 CA THR A 95 8.272 -9.188 -0.339 1.00 0.00 C ATOM 1512 C THR A 95 9.191 -9.111 0.875 1.00 0.00 C ATOM 1513 O THR A 95 9.040 -9.873 1.831 1.00 0.00 O ATOM 1514 CB THR A 95 8.999 -9.929 -1.478 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.171 -9.961 -2.646 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.354 -11.350 -1.064 1.00 0.00 C ATOM 0 H THR A 95 8.073 -7.631 -1.729 1.00 0.00 H new ATOM 0 HA THR A 95 7.372 -9.742 -0.072 1.00 0.00 H new ATOM 0 HB THR A 95 9.922 -9.392 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.212 -9.093 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.866 -11.851 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.007 -11.322 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.443 -11.896 -0.818 1.00 0.00 H new ATOM 1524 N THR A 96 10.144 -8.186 0.830 1.00 0.00 N ATOM 1525 CA THR A 96 11.092 -8.003 1.924 1.00 0.00 C ATOM 1526 C THR A 96 10.432 -7.305 3.111 1.00 0.00 C ATOM 1527 O THR A 96 10.814 -7.518 4.262 1.00 0.00 O ATOM 1528 CB THR A 96 12.315 -7.185 1.469 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.918 -7.802 0.325 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.342 -7.069 2.584 1.00 0.00 C ATOM 0 H THR A 96 10.281 -7.549 0.045 1.00 0.00 H new ATOM 0 HA THR A 96 11.423 -8.995 2.232 1.00 0.00 H new ATOM 0 HB THR A 96 11.973 -6.183 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.455 -7.508 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.194 -6.487 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.891 -6.573 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.678 -8.065 2.875 1.00 0.00 H new ATOM 1538 N LEU A 97 9.438 -6.474 2.819 1.00 0.00 N ATOM 1539 CA LEU A 97 8.721 -5.733 3.851 1.00 0.00 C ATOM 1540 C LEU A 97 7.992 -6.680 4.803 1.00 0.00 C ATOM 1541 O LEU A 97 7.919 -6.428 6.005 1.00 0.00 O ATOM 1542 CB LEU A 97 7.719 -4.770 3.207 1.00 0.00 C ATOM 1543 CG LEU A 97 7.530 -3.431 3.929 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.592 -2.533 3.138 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.995 -3.645 5.338 1.00 0.00 C ATOM 0 H LEU A 97 9.109 -6.296 1.870 1.00 0.00 H new ATOM 0 HA LEU A 97 9.451 -5.164 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.041 -4.569 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.752 -5.269 3.145 1.00 0.00 H new ATOM 0 HG LEU A 97 8.502 -2.944 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.467 -1.586 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.013 -2.348 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.623 -3.021 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.869 -2.680 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.033 -4.155 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.699 -4.253 5.906 1.00 0.00 H new ATOM 1557 N GLN A 98 7.459 -7.770 4.257 1.00 0.00 N ATOM 1558 CA GLN A 98 6.720 -8.747 5.054 1.00 0.00 C ATOM 1559 C GLN A 98 7.514 -9.182 6.281 1.00 0.00 C ATOM 1560 O GLN A 98 6.946 -9.380 7.357 1.00 0.00 O ATOM 1561 CB GLN A 98 6.368 -9.972 4.205 1.00 0.00 C ATOM 1562 CG GLN A 98 5.445 -9.661 3.039 1.00 0.00 C ATOM 1563 CD GLN A 98 5.081 -10.896 2.239 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.775 -11.263 1.291 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.986 -11.546 2.619 1.00 0.00 N ATOM 0 H GLN A 98 7.525 -8.000 3.265 1.00 0.00 H new ATOM 0 HA GLN A 98 5.802 -8.267 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.288 -10.414 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.896 -10.721 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.534 -9.195 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.926 -8.936 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.440 -11.206 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.691 -12.385 2.119 1.00 0.00 H new ATOM 1574 N HIS A 99 8.822 -9.327 6.120 1.00 0.00 N ATOM 1575 CA HIS A 99 9.683 -9.736 7.223 1.00 0.00 C ATOM 1576 C HIS A 99 10.155 -8.524 8.017 1.00 0.00 C ATOM 1577 O HIS A 99 10.257 -8.570 9.244 1.00 0.00 O ATOM 1578 CB HIS A 99 10.888 -10.518 6.696 1.00 0.00 C ATOM 1579 CG HIS A 99 10.514 -11.755 5.940 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.268 -12.967 6.552 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.342 -11.967 4.613 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.963 -13.868 5.636 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.000 -13.287 4.452 1.00 0.00 N ATOM 0 H HIS A 99 9.310 -9.168 5.239 1.00 0.00 H new ATOM 0 HA HIS A 99 9.105 -10.381 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.476 -9.869 6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.527 -10.794 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.453 -11.234 3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.724 -14.904 5.824 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.806 -13.744 3.561 1.00 0.00 H new ATOM 1592 N HIS A 100 10.423 -7.432 7.308 1.00 0.00 N ATOM 1593 CA HIS A 100 10.890 -6.206 7.943 1.00 0.00 C ATOM 1594 C HIS A 100 9.770 -5.547 8.738 1.00 0.00 C ATOM 1595 O HIS A 100 9.980 -4.531 9.400 1.00 0.00 O ATOM 1596 CB HIS A 100 11.435 -5.233 6.896 1.00 0.00 C ATOM 1597 CG HIS A 100 12.755 -5.646 6.322 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.730 -4.743 5.949 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.262 -6.874 6.054 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.777 -5.396 5.477 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.518 -6.690 5.530 1.00 0.00 N ATOM 0 H HIS A 100 10.325 -7.372 6.295 1.00 0.00 H new ATOM 0 HA HIS A 100 11.694 -6.468 8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.710 -5.139 6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.538 -4.246 7.348 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.770 -7.821 6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.689 -4.948 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.149 -7.433 5.230 1.00 0.00 H new ATOM 1610 N LYS A 101 8.580 -6.133 8.667 1.00 0.00 N ATOM 1611 CA LYS A 101 7.428 -5.610 9.386 1.00 0.00 C ATOM 1612 C LYS A 101 7.645 -5.718 10.892 1.00 0.00 C ATOM 1613 O LYS A 101 6.948 -5.076 11.678 1.00 0.00 O ATOM 1614 CB LYS A 101 6.162 -6.368 8.980 1.00 0.00 C ATOM 1615 CG LYS A 101 4.889 -5.803 9.593 1.00 0.00 C ATOM 1616 CD LYS A 101 3.667 -6.622 9.203 1.00 0.00 C ATOM 1617 CE LYS A 101 3.691 -8.002 9.841 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.511 -8.819 9.441 1.00 0.00 N ATOM 0 H LYS A 101 8.389 -6.971 8.118 1.00 0.00 H new ATOM 0 HA LYS A 101 7.307 -4.558 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.071 -6.350 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.264 -7.413 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.984 -5.785 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.755 -4.771 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.763 -6.095 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.627 -6.723 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.606 -8.520 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.711 -7.900 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.564 -9.752 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.638 -8.338 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.505 -8.938 8.408 1.00 0.00 H new ATOM 1632 N ASP A 102 8.620 -6.536 11.285 1.00 0.00 N ATOM 1633 CA ASP A 102 8.932 -6.727 12.697 1.00 0.00 C ATOM 1634 C ASP A 102 9.283 -5.399 13.362 1.00 0.00 C ATOM 1635 O ASP A 102 9.044 -5.208 14.554 1.00 0.00 O ATOM 1636 CB ASP A 102 10.089 -7.717 12.856 1.00 0.00 C ATOM 1637 CG ASP A 102 10.439 -7.964 14.310 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.285 -7.222 14.852 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.868 -8.901 14.907 1.00 0.00 O ATOM 0 H ASP A 102 9.205 -7.075 10.646 1.00 0.00 H new ATOM 0 HA ASP A 102 8.048 -7.133 13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.823 -8.662 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.966 -7.335 12.333 1.00 0.00 H new ATOM 1644 N GLU A 103 9.854 -4.485 12.583 1.00 0.00 N ATOM 1645 CA GLU A 103 10.233 -3.171 13.094 1.00 0.00 C ATOM 1646 C GLU A 103 9.271 -2.099 12.595 1.00 0.00 C ATOM 1647 O GLU A 103 8.880 -1.204 13.343 1.00 0.00 O ATOM 1648 CB GLU A 103 11.663 -2.827 12.673 1.00 0.00 C ATOM 1649 CG GLU A 103 12.116 -1.446 13.120 1.00 0.00 C ATOM 1650 CD GLU A 103 12.062 -1.272 14.626 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.048 -1.636 15.301 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.034 -0.771 15.128 1.00 0.00 O ATOM 0 H GLU A 103 10.065 -4.630 11.596 1.00 0.00 H new ATOM 0 HA GLU A 103 10.183 -3.203 14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.343 -3.573 13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.738 -2.891 11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.135 -1.273 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.487 -0.691 12.648 1.00 0.00 H new ATOM 1659 N VAL A 104 8.897 -2.196 11.323 1.00 0.00 N ATOM 1660 CA VAL A 104 7.979 -1.239 10.718 1.00 0.00 C ATOM 1661 C VAL A 104 6.611 -1.295 11.390 1.00 0.00 C ATOM 1662 O VAL A 104 6.138 -2.369 11.764 1.00 0.00 O ATOM 1663 CB VAL A 104 7.813 -1.497 9.208 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.879 -0.470 8.583 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.167 -1.489 8.514 1.00 0.00 C ATOM 0 H VAL A 104 9.217 -2.930 10.691 1.00 0.00 H new ATOM 0 HA VAL A 104 8.410 -0.248 10.861 1.00 0.00 H new ATOM 0 HB VAL A 104 7.366 -2.482 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.777 -0.672 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.900 -0.531 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.290 0.530 8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.031 -1.673 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.643 -0.519 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.798 -2.269 8.939 1.00 0.00 H new ATOM 1675 N ALA A 105 5.983 -0.133 11.541 1.00 0.00 N ATOM 1676 CA ALA A 105 4.669 -0.048 12.168 1.00 0.00 C ATOM 1677 C ALA A 105 3.655 -0.917 11.432 1.00 0.00 C ATOM 1678 O ALA A 105 3.254 -0.606 10.310 1.00 0.00 O ATOM 1679 CB ALA A 105 4.200 1.398 12.213 1.00 0.00 C ATOM 0 H ALA A 105 6.363 0.763 11.237 1.00 0.00 H new ATOM 0 HA ALA A 105 4.753 -0.421 13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.218 1.448 12.683 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.909 1.993 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.137 1.792 11.199 1.00 0.00 H new ATOM 1685 N GLY A 106 3.244 -2.006 12.074 1.00 0.00 N ATOM 1686 CA GLY A 106 2.283 -2.910 11.468 1.00 0.00 C ATOM 1687 C GLY A 106 0.929 -2.266 11.248 1.00 0.00 C ATOM 1688 O GLY A 106 0.215 -2.615 10.309 1.00 0.00 O ATOM 0 H GLY A 106 3.560 -2.279 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.673 -3.260 10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.164 -3.787 12.105 1.00 0.00 H new ATOM 1692 N ASP A 107 0.575 -1.326 12.118 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.706 -0.635 12.022 1.00 0.00 C ATOM 1694 C ASP A 107 -0.817 0.164 10.726 1.00 0.00 C ATOM 1695 O ASP A 107 -1.880 0.210 10.106 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.896 0.293 13.222 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.906 -0.458 14.539 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.988 -0.931 14.945 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.169 -0.576 15.162 1.00 0.00 O ATOM 0 H ASP A 107 1.158 -1.025 12.899 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.491 -1.391 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.096 1.033 13.235 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.833 0.838 13.111 1.00 0.00 H new ATOM 1704 N ILE A 108 0.282 0.792 10.318 1.00 0.00 N ATOM 1705 CA ILE A 108 0.292 1.591 9.097 1.00 0.00 C ATOM 1706 C ILE A 108 0.285 0.707 7.853 1.00 0.00 C ATOM 1707 O ILE A 108 -0.520 0.912 6.943 1.00 0.00 O ATOM 1708 CB ILE A 108 1.519 2.524 9.046 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.546 3.434 10.278 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.502 3.353 7.767 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.798 4.280 10.384 1.00 0.00 C ATOM 0 H ILE A 108 1.174 0.763 10.813 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.615 2.195 9.110 1.00 0.00 H new ATOM 0 HB ILE A 108 2.422 1.914 9.048 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.676 4.090 10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.456 2.820 11.174 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.374 4.007 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.525 2.689 6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.595 3.957 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.745 4.898 11.281 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.672 3.631 10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.879 4.921 9.506 1.00 0.00 H new ATOM 1723 N PHE A 109 1.178 -0.276 7.821 1.00 0.00 N ATOM 1724 CA PHE A 109 1.268 -1.186 6.686 1.00 0.00 C ATOM 1725 C PHE A 109 -0.005 -2.014 6.549 1.00 0.00 C ATOM 1726 O PHE A 109 -0.365 -2.434 5.450 1.00 0.00 O ATOM 1727 CB PHE A 109 2.486 -2.106 6.812 1.00 0.00 C ATOM 1728 CG PHE A 109 2.687 -2.997 5.613 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.621 -2.479 4.327 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.932 -4.351 5.773 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.798 -3.295 3.224 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.110 -5.172 4.675 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.042 -4.644 3.399 1.00 0.00 C ATOM 0 H PHE A 109 1.849 -0.463 8.567 1.00 0.00 H new ATOM 0 HA PHE A 109 1.386 -0.581 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.379 -1.498 6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.374 -2.726 7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.429 -1.426 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.985 -4.770 6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.746 -2.879 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.302 -6.226 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.179 -5.285 2.540 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.677 -2.253 7.674 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.910 -3.035 7.681 1.00 0.00 C ATOM 1745 C ASP A 110 -2.874 -2.542 6.607 1.00 0.00 C ATOM 1746 O ASP A 110 -3.638 -3.323 6.039 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.580 -2.962 9.054 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.860 -3.773 9.116 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.777 -4.994 9.364 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.945 -3.187 8.917 1.00 0.00 O ATOM 0 H ASP A 110 -0.387 -1.916 8.592 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.652 -4.072 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.887 -3.324 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.800 -1.922 9.293 1.00 0.00 H new ATOM 1755 N MET A 111 -2.835 -1.242 6.335 1.00 0.00 N ATOM 1756 CA MET A 111 -3.693 -0.651 5.318 1.00 0.00 C ATOM 1757 C MET A 111 -3.210 -1.050 3.928 1.00 0.00 C ATOM 1758 O MET A 111 -4.000 -1.445 3.069 1.00 0.00 O ATOM 1759 CB MET A 111 -3.710 0.874 5.465 1.00 0.00 C ATOM 1760 CG MET A 111 -4.533 1.590 4.405 1.00 0.00 C ATOM 1761 SD MET A 111 -3.620 1.864 2.873 1.00 0.00 S ATOM 1762 CE MET A 111 -2.273 2.892 3.457 1.00 0.00 C ATOM 0 H MET A 111 -2.218 -0.579 6.805 1.00 0.00 H new ATOM 0 HA MET A 111 -4.709 -1.023 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.103 1.129 6.449 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.685 1.244 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.427 1.005 4.190 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.868 2.550 4.799 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.790 3.375 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.663 3.652 4.134 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.546 2.274 3.985 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.901 -0.948 3.722 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.289 -1.301 2.447 1.00 0.00 C ATOM 1774 C LEU A 112 -1.442 -2.791 2.158 1.00 0.00 C ATOM 1775 O LEU A 112 -1.382 -3.213 1.007 1.00 0.00 O ATOM 1776 CB LEU A 112 0.190 -0.917 2.438 1.00 0.00 C ATOM 1777 CG LEU A 112 0.478 0.587 2.432 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.973 0.843 2.526 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.092 1.237 1.180 1.00 0.00 C ATOM 0 H LEU A 112 -1.240 -0.621 4.427 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.805 -0.744 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.668 -1.358 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.658 -1.363 1.561 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.006 1.031 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.159 1.917 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.358 0.413 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.475 0.383 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.123 2.305 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.363 0.787 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.171 1.084 1.150 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.641 -3.584 3.210 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.795 -5.030 3.061 1.00 0.00 C ATOM 1793 C LEU A 113 -2.823 -5.358 1.985 1.00 0.00 C ATOM 1794 O LEU A 113 -2.766 -6.420 1.364 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.212 -5.675 4.386 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.088 -5.858 5.410 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.633 -6.472 6.689 1.00 0.00 C ATOM 1798 CD2 LEU A 113 0.022 -6.729 4.837 1.00 0.00 C ATOM 0 H LEU A 113 -1.699 -3.250 4.172 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.829 -5.435 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.995 -5.065 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.650 -6.651 4.174 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.672 -4.878 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.822 -6.596 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.395 -5.817 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.073 -7.444 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.811 -6.847 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.381 -7.708 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.431 -6.256 3.944 1.00 0.00 H new ATOM 1810 N THR A 114 -3.764 -4.444 1.779 1.00 0.00 N ATOM 1811 CA THR A 114 -4.808 -4.619 0.774 1.00 0.00 C ATOM 1812 C THR A 114 -4.230 -4.909 -0.613 1.00 0.00 C ATOM 1813 O THR A 114 -4.975 -5.189 -1.552 1.00 0.00 O ATOM 1814 CB THR A 114 -5.700 -3.370 0.683 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.894 -2.208 0.457 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.513 -3.191 1.956 1.00 0.00 C ATOM 0 H THR A 114 -3.826 -3.568 2.298 1.00 0.00 H new ATOM 0 HA THR A 114 -5.400 -5.477 1.094 1.00 0.00 H new ATOM 0 HB THR A 114 -6.388 -3.502 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.547 -1.879 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.136 -2.301 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.147 -4.064 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.839 -3.079 2.805 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.906 -4.844 -0.742 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.252 -5.105 -2.019 1.00 0.00 C ATOM 1826 C PHE A 115 -2.474 -6.551 -2.452 1.00 0.00 C ATOM 1827 O PHE A 115 -2.524 -6.848 -3.645 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.745 -4.824 -1.928 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.383 -3.361 -1.912 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.027 -2.460 -2.748 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.610 -2.890 -1.064 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.689 -1.119 -2.737 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.950 -1.550 -1.051 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.300 -0.665 -1.888 1.00 0.00 C ATOM 0 H PHE A 115 -2.269 -4.614 0.020 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.693 -4.438 -2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.355 -5.292 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.248 -5.299 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.801 -2.810 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.122 -3.578 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.198 -0.428 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.724 -1.196 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.565 0.382 -1.878 1.00 0.00 H new ATOM 1844 N THR A 116 -2.607 -7.446 -1.476 1.00 0.00 N ATOM 1845 CA THR A 116 -2.819 -8.860 -1.762 1.00 0.00 C ATOM 1846 C THR A 116 -3.812 -9.488 -0.786 1.00 0.00 C ATOM 1847 O THR A 116 -4.577 -10.378 -1.156 1.00 0.00 O ATOM 1848 CB THR A 116 -1.497 -9.649 -1.697 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.923 -9.535 -0.390 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.508 -9.140 -2.735 1.00 0.00 C ATOM 0 H THR A 116 -2.572 -7.217 -0.483 1.00 0.00 H new ATOM 0 HA THR A 116 -3.226 -8.914 -2.772 1.00 0.00 H new ATOM 0 HB THR A 116 -1.715 -10.696 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.084 -10.040 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.417 -9.713 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.935 -9.255 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.296 -8.087 -2.550 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.793 -9.022 0.459 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.687 -9.547 1.487 1.00 0.00 C ATOM 1860 C ASP A 117 -6.138 -9.169 1.196 1.00 0.00 C ATOM 1861 O ASP A 117 -6.632 -8.141 1.665 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.274 -9.030 2.867 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.821 -9.887 3.993 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.132 -10.846 4.396 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.937 -9.598 4.470 1.00 0.00 O ATOM 0 H ASP A 117 -3.169 -8.282 0.781 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.609 -10.634 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.186 -9.002 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.627 -8.006 2.989 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.814 -10.011 0.419 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.207 -9.772 0.054 1.00 0.00 C ATOM 1872 C PHE A 118 -9.093 -9.710 1.294 1.00 0.00 C ATOM 1873 O PHE A 118 -10.131 -9.047 1.296 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.698 -10.874 -0.889 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.072 -10.629 -1.446 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.246 -9.859 -2.586 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.191 -11.166 -0.829 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.508 -9.631 -3.101 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.456 -10.941 -1.338 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.615 -10.173 -2.475 1.00 0.00 C ATOM 0 H PHE A 118 -6.418 -10.867 0.029 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.267 -8.811 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.994 -10.973 -1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.697 -11.824 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.384 -9.432 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.073 -11.767 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.629 -9.031 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.319 -11.365 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.603 -9.996 -2.874 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.677 -10.404 2.350 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.431 -10.427 3.599 1.00 0.00 C ATOM 1892 C LEU A 119 -9.470 -9.043 4.235 1.00 0.00 C ATOM 1893 O LEU A 119 -10.497 -8.625 4.772 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.815 -11.432 4.580 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.046 -12.913 4.251 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.533 -13.223 4.161 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.339 -13.295 2.957 1.00 0.00 C ATOM 0 H LEU A 119 -7.821 -10.958 2.365 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.451 -10.734 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.741 -11.253 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.216 -11.233 5.574 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.623 -13.508 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.671 -14.279 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.010 -12.997 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.985 -12.615 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.516 -14.349 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.726 -12.688 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.268 -13.121 3.063 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.347 -8.335 4.170 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.250 -6.999 4.742 1.00 0.00 C ATOM 1911 C ALA A 120 -8.947 -5.973 3.858 1.00 0.00 C ATOM 1912 O ALA A 120 -9.410 -4.938 4.338 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.792 -6.617 4.950 1.00 0.00 C ATOM 0 H ALA A 120 -7.491 -8.666 3.726 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.752 -7.008 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.736 -5.616 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.323 -7.329 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.272 -6.632 3.992 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.015 -6.266 2.563 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.655 -5.369 1.607 1.00 0.00 C ATOM 1921 C PHE A 121 -11.142 -5.221 1.910 1.00 0.00 C ATOM 1922 O PHE A 121 -11.644 -4.109 2.099 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.463 -5.906 0.187 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.760 -4.904 -0.893 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.881 -3.865 -1.149 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.913 -5.005 -1.654 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.146 -2.945 -2.144 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -11.182 -4.087 -2.653 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.297 -3.056 -2.898 1.00 0.00 C ATOM 0 H PHE A 121 -8.634 -7.118 2.151 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.190 -4.387 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.435 -6.250 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.106 -6.775 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.978 -3.773 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.609 -5.809 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.453 -2.139 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -12.084 -4.177 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.505 -2.338 -3.678 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.840 -6.350 1.975 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.271 -6.350 2.251 1.00 0.00 C ATOM 1941 C LYS A 122 -13.551 -5.923 3.688 1.00 0.00 C ATOM 1942 O LYS A 122 -14.541 -5.247 3.960 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.861 -7.738 1.996 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.362 -7.815 2.235 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.892 -9.222 2.014 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.392 -9.295 2.247 1.00 0.00 C ATOM 1947 NZ LYS A 122 -18.147 -8.431 1.297 1.00 0.00 N ATOM 0 H LYS A 122 -11.437 -7.277 1.840 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.743 -5.632 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.650 -8.030 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.361 -8.460 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.586 -7.497 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.874 -7.123 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.665 -9.542 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.384 -9.913 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.725 -10.327 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.615 -8.991 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.158 -8.671 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.018 -7.433 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.793 -8.585 0.331 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.674 -6.324 4.603 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.831 -5.984 6.013 1.00 0.00 C ATOM 1963 C GLU A 123 -12.633 -4.489 6.243 1.00 0.00 C ATOM 1964 O GLU A 123 -13.238 -3.906 7.144 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.838 -6.780 6.865 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.982 -6.532 8.358 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.998 -7.343 9.178 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.330 -8.490 9.540 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -9.894 -6.829 9.457 1.00 0.00 O ATOM 0 H GLU A 123 -11.848 -6.884 4.394 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.847 -6.245 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.973 -7.843 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.823 -6.525 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.834 -5.472 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.998 -6.778 8.668 1.00 0.00 H new ATOM 1976 N MET A 124 -11.785 -3.873 5.424 1.00 0.00 N ATOM 1977 CA MET A 124 -11.510 -2.445 5.544 1.00 0.00 C ATOM 1978 C MET A 124 -12.726 -1.620 5.136 1.00 0.00 C ATOM 1979 O MET A 124 -13.132 -0.702 5.848 1.00 0.00 O ATOM 1980 CB MET A 124 -10.308 -2.059 4.677 1.00 0.00 C ATOM 1981 CG MET A 124 -9.988 -0.574 4.707 1.00 0.00 C ATOM 1982 SD MET A 124 -8.575 -0.144 3.673 1.00 0.00 S ATOM 1983 CE MET A 124 -9.185 -0.599 2.052 1.00 0.00 C ATOM 0 H MET A 124 -11.278 -4.339 4.672 1.00 0.00 H new ATOM 0 HA MET A 124 -11.281 -2.233 6.588 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.434 -2.617 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.502 -2.360 3.647 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.861 -0.012 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.786 -0.271 5.734 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.482 -0.262 1.291 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.291 -1.682 1.994 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.154 -0.130 1.883 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.306 -1.957 3.988 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.475 -1.241 3.489 1.00 0.00 C ATOM 1995 C PHE A 125 -15.704 -1.525 4.344 1.00 0.00 C ATOM 1996 O PHE A 125 -16.527 -0.640 4.574 1.00 0.00 O ATOM 1997 CB PHE A 125 -14.746 -1.613 2.031 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.776 -0.984 1.073 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.858 0.367 0.774 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -12.783 -1.739 0.475 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.964 0.951 -0.102 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -11.888 -1.161 -0.403 1.00 0.00 C ATOM 2003 CZ PHE A 125 -11.978 0.186 -0.692 1.00 0.00 C ATOM 0 H PHE A 125 -12.987 -2.718 3.388 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.263 -0.173 3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -14.702 -2.697 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.758 -1.308 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.629 0.969 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -12.707 -2.793 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.036 2.005 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.118 -1.762 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.279 0.640 -1.378 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.826 -2.764 4.808 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.958 -3.157 5.638 1.00 0.00 C ATOM 2015 C LEU A 126 -17.004 -2.320 6.911 1.00 0.00 C ATOM 2016 O LEU A 126 -18.060 -1.820 7.300 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.868 -4.642 5.993 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.206 -5.381 6.021 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -18.798 -5.461 4.621 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.032 -6.773 6.611 1.00 0.00 C ATOM 0 H LEU A 126 -15.157 -3.511 4.624 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.873 -2.984 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.213 -5.133 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -16.396 -4.739 6.971 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.897 -4.824 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -19.750 -5.990 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -18.957 -4.454 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.111 -5.996 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.994 -7.286 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.327 -7.340 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -17.651 -6.692 7.629 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.849 -2.171 7.554 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.753 -1.391 8.782 1.00 0.00 C ATOM 2034 C ASP A 127 -16.030 0.083 8.507 1.00 0.00 C ATOM 2035 O ASP A 127 -16.585 0.788 9.349 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.365 -1.553 9.407 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.213 -0.761 10.692 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.596 -1.283 11.760 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.712 0.381 10.630 1.00 0.00 O ATOM 0 H ASP A 127 -14.968 -2.580 7.244 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.503 -1.762 9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.182 -2.608 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.608 -1.230 8.693 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.638 0.542 7.321 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.847 1.931 6.931 1.00 0.00 C ATOM 2046 C TYR A 128 -17.335 2.263 6.894 1.00 0.00 C ATOM 2047 O TYR A 128 -17.752 3.336 7.332 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.217 2.201 5.563 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.403 3.621 5.078 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.592 4.647 5.545 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.389 3.936 4.150 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.758 5.947 5.104 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.561 5.233 3.704 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.744 6.234 4.184 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.912 7.527 3.743 1.00 0.00 O ATOM 0 H TYR A 128 -15.174 -0.029 6.614 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.367 2.568 7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.151 1.981 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.649 1.517 4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.818 4.426 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.031 3.155 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.119 6.733 5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.332 5.461 2.983 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.648 7.559 3.097 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.131 1.337 6.369 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.573 1.532 6.277 1.00 0.00 C ATOM 2067 C ARG A 129 -20.218 1.473 7.659 1.00 0.00 C ATOM 2068 O ARG A 129 -21.196 2.169 7.928 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.197 0.471 5.367 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.697 0.636 5.177 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.280 -0.486 4.333 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.721 -0.341 4.149 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.516 -1.327 3.738 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.009 -2.523 3.475 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.816 -1.115 3.592 1.00 0.00 N ATOM 0 H ARG A 129 -17.802 0.445 6.001 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.754 2.519 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.710 0.508 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.999 -0.516 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.188 0.653 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.901 1.595 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.790 -0.499 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.070 -1.444 4.809 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.143 0.567 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.009 -2.689 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.619 -3.278 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.209 -0.196 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.424 -1.871 3.277 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.661 0.635 8.530 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.182 0.480 9.883 1.00 0.00 C ATOM 2091 C ALA A 130 -20.056 1.775 10.678 1.00 0.00 C ATOM 2092 O ALA A 130 -20.915 2.095 11.501 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.459 -0.650 10.601 1.00 0.00 C ATOM 0 H ALA A 130 -18.849 0.054 8.322 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.241 0.234 9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.858 -0.754 11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.606 -1.581 10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.394 -0.425 10.654 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.983 2.517 10.426 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.745 3.778 11.120 1.00 0.00 C ATOM 2101 C GLU A 131 -19.794 4.819 10.744 1.00 0.00 C ATOM 2102 O GLU A 131 -20.004 5.791 11.469 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.346 4.307 10.794 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.224 3.428 11.323 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.262 3.280 12.832 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.937 4.263 13.532 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.618 2.185 13.312 1.00 0.00 O ATOM 0 H GLU A 131 -18.264 2.267 9.747 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.817 3.590 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.245 4.400 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.239 5.308 11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.292 2.442 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.265 3.852 11.027 1.00 0.00 H new ATOM 2114 N LYS A 132 -20.451 4.609 9.609 1.00 0.00 N ATOM 2115 CA LYS A 132 -21.478 5.533 9.141 1.00 0.00 C ATOM 2116 C LYS A 132 -22.741 5.417 9.988 1.00 0.00 C ATOM 2117 O LYS A 132 -23.639 6.255 9.899 1.00 0.00 O ATOM 2118 CB LYS A 132 -21.809 5.260 7.672 1.00 0.00 C ATOM 2119 CG LYS A 132 -20.608 5.381 6.747 1.00 0.00 C ATOM 2120 CD LYS A 132 -20.110 6.814 6.664 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.016 6.962 5.619 1.00 0.00 C ATOM 2122 NZ LYS A 132 -18.509 8.360 5.542 1.00 0.00 N ATOM 0 H LYS A 132 -20.292 3.809 8.997 1.00 0.00 H new ATOM 0 HA LYS A 132 -21.089 6.547 9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -22.227 4.257 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -22.581 5.958 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -19.805 4.736 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -20.878 5.030 5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -20.941 7.476 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.730 7.126 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.192 6.289 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.401 6.661 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -17.638 8.382 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.228 8.966 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -18.307 8.709 6.501 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.801 4.373 10.807 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.951 4.144 11.672 1.00 0.00 C ATOM 2138 C GLU A 133 -23.700 4.700 13.071 1.00 0.00 C ATOM 2139 O GLU A 133 -24.550 4.588 13.955 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.261 2.647 11.754 1.00 0.00 C ATOM 2141 CG GLU A 133 -24.584 2.019 10.409 1.00 0.00 C ATOM 2142 CD GLU A 133 -25.809 2.630 9.758 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.930 2.162 10.048 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -25.647 3.577 8.960 1.00 0.00 O ATOM 0 H GLU A 133 -22.065 3.671 10.890 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.807 4.664 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.406 2.131 12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.104 2.495 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -23.728 2.134 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -24.743 0.949 10.541 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.530 5.300 13.263 1.00 0.00 N ATOM 2152 CA GLY A 134 -22.187 5.864 14.555 1.00 0.00 C ATOM 2153 C GLY A 134 -22.989 7.109 14.878 1.00 0.00 C ATOM 2154 O GLY A 134 -23.907 7.069 15.697 1.00 0.00 O ATOM 0 H GLY A 134 -21.812 5.406 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -22.355 5.116 15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -21.124 6.106 14.571 1.00 0.00 H new ATOM 2158 N ARG A 135 -22.641 8.218 14.231 1.00 0.00 N ATOM 2159 CA ARG A 135 -23.335 9.482 14.452 1.00 0.00 C ATOM 2160 C ARG A 135 -24.464 9.668 13.443 1.00 0.00 C ATOM 2161 O ARG A 135 -25.155 10.686 13.452 1.00 0.00 O ATOM 2162 CB ARG A 135 -22.351 10.652 14.362 1.00 0.00 C ATOM 2163 CG ARG A 135 -21.619 10.739 13.032 1.00 0.00 C ATOM 2164 CD ARG A 135 -20.605 11.872 13.029 1.00 0.00 C ATOM 2165 NE ARG A 135 -19.869 11.948 11.769 1.00 0.00 N ATOM 2166 CZ ARG A 135 -19.065 12.956 11.443 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -18.893 13.972 12.279 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -18.430 12.948 10.279 1.00 0.00 N ATOM 0 H ARG A 135 -21.883 8.266 13.550 1.00 0.00 H new ATOM 0 HA ARG A 135 -23.769 9.460 15.452 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -22.892 11.583 14.529 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -21.618 10.561 15.164 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -21.112 9.795 12.832 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -22.339 10.891 12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -21.118 12.817 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -19.903 11.731 13.851 1.00 0.00 H new ATOM 0 HE ARG A 135 -19.978 11.185 11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -19.378 13.982 13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -18.275 14.743 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -18.558 12.169 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.813 13.721 10.029 1.00 0.00 H new ATOM 2182 N GLY A 136 -24.645 8.675 12.576 1.00 0.00 N ATOM 2183 CA GLY A 136 -25.693 8.749 11.574 1.00 0.00 C ATOM 2184 C GLY A 136 -25.172 9.189 10.220 1.00 0.00 C ATOM 2185 O GLY A 136 -24.169 9.932 10.182 1.00 0.00 O ATOM 2186 OXT GLY A 136 -25.768 8.790 9.197 1.00 0.00 O ATOM 0 H GLY A 136 -24.086 7.822 12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -26.168 7.773 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -26.462 9.446 11.908 1.00 0.00 H new TER 2190 GLY A 136