USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=31 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 45 MET CE :methyl 137:sc= -0.303 (180deg=-0.981) USER MOD Set 1.2: A 124 MET CE :methyl 161:sc= -0.127 (180deg=-0.686) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.999 K(o=-0.014,f=-7.8!) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 114 THR OG1 : rot -81:sc= 0.985 USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0.0415 USER MOD Set 3.2: A 132 LYS NZ :NH3+ 170:sc= 0.0445 (180deg=-0.204) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.245 (180deg=-0.899) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0556 (180deg=-0.144) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00544 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -110:sc= 0.339 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -38:sc= 1.03 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0202 (180deg=-0.225) USER MOD Single : A 48 TYR OH : rot 80:sc= -0.303 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0685 (180deg=-0.467) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.54) USER MOD Single : A 71 SER OG : rot 78:sc= 0.0667 USER MOD Single : A 75 LYS NZ :NH3+ -140:sc=-0.00711 (180deg=-0.397) USER MOD Single : A 76 TYR OH : rot 14:sc= 0.209 USER MOD Single : A 80 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.15) USER MOD Single : A 83 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.13) USER MOD Single : A 89 ASN : amide:sc= 0.856 K(o=0.86,f=-5.6!) USER MOD Single : A 90 MET CE :methyl 162:sc= 0 (180deg=-0.163) USER MOD Single : A 94 THR OG1 : rot -81:sc= 1.13 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 98 GLN : amide:sc= -0.611 K(o=-0.61,f=-4.5!) USER MOD Single : A 99 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-4.6!) USER MOD Single : A 100 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-1.8) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 137:sc= -0.252 (180deg=-1.13) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.371 8.360 15.753 1.00 0.00 N ATOM 2 CA MET A 1 30.729 8.699 17.049 1.00 0.00 C ATOM 3 C MET A 1 29.787 7.586 17.495 1.00 0.00 C ATOM 4 O MET A 1 29.347 6.772 16.684 1.00 0.00 O ATOM 5 CB MET A 1 29.957 10.016 16.929 1.00 0.00 C ATOM 6 CG MET A 1 28.841 9.981 15.896 1.00 0.00 C ATOM 7 SD MET A 1 27.936 11.538 15.797 1.00 0.00 S ATOM 8 CE MET A 1 27.308 11.675 17.470 1.00 0.00 C ATOM 0 H1 MET A 1 31.328 9.183 15.119 1.00 0.00 H new ATOM 0 H2 MET A 1 32.365 8.099 15.915 1.00 0.00 H new ATOM 0 H3 MET A 1 30.870 7.560 15.316 1.00 0.00 H new ATOM 0 HA MET A 1 31.513 8.811 17.798 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.532 10.267 17.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.654 10.813 16.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.263 9.748 14.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.147 9.177 16.143 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.430 12.321 17.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.034 10.686 17.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.077 12.101 18.114 1.00 0.00 H new ATOM 18 N ASP A 2 29.484 7.563 18.792 1.00 0.00 N ATOM 19 CA ASP A 2 28.594 6.555 19.363 1.00 0.00 C ATOM 20 C ASP A 2 29.167 5.149 19.191 1.00 0.00 C ATOM 21 O ASP A 2 29.829 4.627 20.089 1.00 0.00 O ATOM 22 CB ASP A 2 27.204 6.645 18.726 1.00 0.00 C ATOM 23 CG ASP A 2 26.240 5.619 19.288 1.00 0.00 C ATOM 24 OD1 ASP A 2 25.591 5.914 20.314 1.00 0.00 O ATOM 25 OD2 ASP A 2 26.133 4.521 18.703 1.00 0.00 O ATOM 0 H ASP A 2 29.844 8.235 19.470 1.00 0.00 H new ATOM 0 HA ASP A 2 28.505 6.754 20.431 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.799 7.644 18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.292 6.504 17.649 1.00 0.00 H new ATOM 30 N ALA A 3 28.910 4.540 18.035 1.00 0.00 N ATOM 31 CA ALA A 3 29.404 3.196 17.754 1.00 0.00 C ATOM 32 C ALA A 3 30.492 3.223 16.685 1.00 0.00 C ATOM 33 O ALA A 3 30.450 4.039 15.764 1.00 0.00 O ATOM 34 CB ALA A 3 28.259 2.294 17.319 1.00 0.00 C ATOM 0 H ALA A 3 28.364 4.956 17.280 1.00 0.00 H new ATOM 0 HA ALA A 3 29.840 2.797 18.670 1.00 0.00 H new ATOM 0 HB1 ALA A 3 28.642 1.294 17.113 1.00 0.00 H new ATOM 0 HB2 ALA A 3 27.515 2.241 18.114 1.00 0.00 H new ATOM 0 HB3 ALA A 3 27.798 2.699 16.418 1.00 0.00 H new ATOM 40 N LEU A 4 31.464 2.326 16.813 1.00 0.00 N ATOM 41 CA LEU A 4 32.564 2.249 15.858 1.00 0.00 C ATOM 42 C LEU A 4 32.269 1.226 14.766 1.00 0.00 C ATOM 43 O LEU A 4 31.728 0.152 15.034 1.00 0.00 O ATOM 44 CB LEU A 4 33.866 1.884 16.576 1.00 0.00 C ATOM 45 CG LEU A 4 34.315 2.878 17.650 1.00 0.00 C ATOM 46 CD1 LEU A 4 35.575 2.380 18.341 1.00 0.00 C ATOM 47 CD2 LEU A 4 34.549 4.254 17.044 1.00 0.00 C ATOM 0 H LEU A 4 31.513 1.642 17.568 1.00 0.00 H new ATOM 0 HA LEU A 4 32.675 3.228 15.392 1.00 0.00 H new ATOM 0 HB2 LEU A 4 33.746 0.904 17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 4 34.659 1.792 15.834 1.00 0.00 H new ATOM 0 HG LEU A 4 33.522 2.961 18.393 1.00 0.00 H new ATOM 0 HD11 LEU A 4 35.881 3.098 19.102 1.00 0.00 H new ATOM 0 HD12 LEU A 4 35.376 1.417 18.811 1.00 0.00 H new ATOM 0 HD13 LEU A 4 36.373 2.268 17.607 1.00 0.00 H new ATOM 0 HD21 LEU A 4 34.867 4.946 17.824 1.00 0.00 H new ATOM 0 HD22 LEU A 4 35.323 4.188 16.279 1.00 0.00 H new ATOM 0 HD23 LEU A 4 33.624 4.615 16.594 1.00 0.00 H new ATOM 59 N GLU A 5 32.629 1.569 13.532 1.00 0.00 N ATOM 60 CA GLU A 5 32.407 0.685 12.393 1.00 0.00 C ATOM 61 C GLU A 5 33.363 1.022 11.253 1.00 0.00 C ATOM 62 O GLU A 5 34.057 2.039 11.296 1.00 0.00 O ATOM 63 CB GLU A 5 30.959 0.796 11.910 1.00 0.00 C ATOM 64 CG GLU A 5 30.545 2.215 11.549 1.00 0.00 C ATOM 65 CD GLU A 5 29.110 2.300 11.068 1.00 0.00 C ATOM 66 OE1 GLU A 5 28.204 2.401 11.920 1.00 0.00 O ATOM 67 OE2 GLU A 5 28.893 2.268 9.838 1.00 0.00 O ATOM 0 H GLU A 5 33.076 2.455 13.296 1.00 0.00 H new ATOM 0 HA GLU A 5 32.597 -0.339 12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 5 30.825 0.155 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 5 30.295 0.420 12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.671 2.859 12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.208 2.596 10.772 1.00 0.00 H new ATOM 74 N GLY A 6 33.395 0.167 10.236 1.00 0.00 N ATOM 75 CA GLY A 6 34.273 0.395 9.102 1.00 0.00 C ATOM 76 C GLY A 6 35.185 -0.782 8.827 1.00 0.00 C ATOM 77 O GLY A 6 36.391 -0.613 8.647 1.00 0.00 O ATOM 0 H GLY A 6 32.829 -0.679 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 6 33.671 0.599 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 6 34.877 1.283 9.288 1.00 0.00 H new ATOM 81 N GLU A 7 34.608 -1.979 8.797 1.00 0.00 N ATOM 82 CA GLU A 7 35.374 -3.193 8.543 1.00 0.00 C ATOM 83 C GLU A 7 35.839 -3.252 7.092 1.00 0.00 C ATOM 84 O GLU A 7 37.039 -3.257 6.814 1.00 0.00 O ATOM 85 CB GLU A 7 34.534 -4.428 8.873 1.00 0.00 C ATOM 86 CG GLU A 7 34.096 -4.493 10.326 1.00 0.00 C ATOM 87 CD GLU A 7 35.267 -4.587 11.284 1.00 0.00 C ATOM 88 OE1 GLU A 7 35.795 -3.527 11.682 1.00 0.00 O ATOM 89 OE2 GLU A 7 35.657 -5.719 11.637 1.00 0.00 O ATOM 0 H GLU A 7 33.611 -2.134 8.946 1.00 0.00 H new ATOM 0 HA GLU A 7 36.254 -3.178 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 7 33.650 -4.438 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 7 35.109 -5.323 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 7 33.507 -3.607 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 7 33.445 -5.356 10.467 1.00 0.00 H new ATOM 96 N SER A 8 34.881 -3.297 6.171 1.00 0.00 N ATOM 97 CA SER A 8 35.190 -3.355 4.747 1.00 0.00 C ATOM 98 C SER A 8 34.990 -1.991 4.093 1.00 0.00 C ATOM 99 O SER A 8 35.949 -1.353 3.661 1.00 0.00 O ATOM 100 CB SER A 8 34.312 -4.399 4.057 1.00 0.00 C ATOM 101 OG SER A 8 34.616 -4.489 2.676 1.00 0.00 O ATOM 0 H SER A 8 33.884 -3.294 6.386 1.00 0.00 H new ATOM 0 HA SER A 8 36.236 -3.641 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 8 34.458 -5.371 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 8 33.262 -4.137 4.185 1.00 0.00 H new ATOM 0 HG SER A 8 34.042 -5.164 2.258 1.00 0.00 H new ATOM 107 N PHE A 9 33.737 -1.551 4.026 1.00 0.00 N ATOM 108 CA PHE A 9 33.410 -0.263 3.426 1.00 0.00 C ATOM 109 C PHE A 9 32.425 0.509 4.301 1.00 0.00 C ATOM 110 O PHE A 9 32.176 0.134 5.447 1.00 0.00 O ATOM 111 CB PHE A 9 32.831 -0.459 2.022 1.00 0.00 C ATOM 112 CG PHE A 9 31.649 -1.386 1.973 1.00 0.00 C ATOM 113 CD1 PHE A 9 31.832 -2.757 1.883 1.00 0.00 C ATOM 114 CD2 PHE A 9 30.358 -0.886 2.013 1.00 0.00 C ATOM 115 CE1 PHE A 9 30.747 -3.612 1.833 1.00 0.00 C ATOM 116 CE2 PHE A 9 29.270 -1.737 1.965 1.00 0.00 C ATOM 117 CZ PHE A 9 29.465 -3.101 1.874 1.00 0.00 C ATOM 0 H PHE A 9 32.932 -2.068 4.380 1.00 0.00 H new ATOM 0 HA PHE A 9 34.329 0.319 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 9 32.536 0.511 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 9 33.612 -0.848 1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 9 32.833 -3.162 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 9 30.200 0.180 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 9 30.902 -4.678 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 9 28.268 -1.335 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 9 28.616 -3.767 1.835 1.00 0.00 H new ATOM 127 N ALA A 10 31.870 1.588 3.753 1.00 0.00 N ATOM 128 CA ALA A 10 30.918 2.419 4.483 1.00 0.00 C ATOM 129 C ALA A 10 29.701 1.612 4.930 1.00 0.00 C ATOM 130 O ALA A 10 29.562 0.437 4.591 1.00 0.00 O ATOM 131 CB ALA A 10 30.485 3.598 3.623 1.00 0.00 C ATOM 0 H ALA A 10 32.064 1.907 2.804 1.00 0.00 H new ATOM 0 HA ALA A 10 31.415 2.794 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 10 29.775 4.211 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.357 4.198 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 10 30.013 3.230 2.712 1.00 0.00 H new ATOM 137 N LEU A 11 28.822 2.254 5.699 1.00 0.00 N ATOM 138 CA LEU A 11 27.612 1.604 6.199 1.00 0.00 C ATOM 139 C LEU A 11 27.954 0.367 7.028 1.00 0.00 C ATOM 140 O LEU A 11 29.120 0.118 7.335 1.00 0.00 O ATOM 141 CB LEU A 11 26.687 1.219 5.039 1.00 0.00 C ATOM 142 CG LEU A 11 25.881 2.372 4.427 1.00 0.00 C ATOM 143 CD1 LEU A 11 24.967 3.002 5.469 1.00 0.00 C ATOM 144 CD2 LEU A 11 26.807 3.419 3.825 1.00 0.00 C ATOM 0 H LEU A 11 28.926 3.226 5.990 1.00 0.00 H new ATOM 0 HA LEU A 11 27.094 2.316 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.289 0.762 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.990 0.458 5.390 1.00 0.00 H new ATOM 0 HG LEU A 11 25.261 1.965 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.405 3.817 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 11 24.274 2.250 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.567 3.390 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 11 26.213 4.227 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.458 3.819 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.414 2.962 3.044 1.00 0.00 H new ATOM 156 N SER A 12 26.930 -0.400 7.392 1.00 0.00 N ATOM 157 CA SER A 12 27.125 -1.608 8.186 1.00 0.00 C ATOM 158 C SER A 12 26.392 -2.798 7.572 1.00 0.00 C ATOM 159 O SER A 12 25.163 -2.817 7.512 1.00 0.00 O ATOM 160 CB SER A 12 26.644 -1.384 9.621 1.00 0.00 C ATOM 161 OG SER A 12 26.823 -2.550 10.406 1.00 0.00 O ATOM 0 H SER A 12 25.958 -0.206 7.150 1.00 0.00 H new ATOM 0 HA SER A 12 28.192 -1.832 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.192 -0.554 10.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.591 -1.104 9.615 1.00 0.00 H new ATOM 0 HG SER A 12 26.510 -2.381 11.319 1.00 0.00 H new ATOM 167 N PHE A 13 27.162 -3.787 7.122 1.00 0.00 N ATOM 168 CA PHE A 13 26.607 -4.995 6.513 1.00 0.00 C ATOM 169 C PHE A 13 25.776 -4.664 5.273 1.00 0.00 C ATOM 170 O PHE A 13 26.280 -4.706 4.151 1.00 0.00 O ATOM 171 CB PHE A 13 25.759 -5.766 7.529 1.00 0.00 C ATOM 172 CG PHE A 13 25.323 -7.121 7.045 1.00 0.00 C ATOM 173 CD1 PHE A 13 26.228 -8.166 6.966 1.00 0.00 C ATOM 174 CD2 PHE A 13 24.009 -7.346 6.670 1.00 0.00 C ATOM 175 CE1 PHE A 13 25.830 -9.413 6.522 1.00 0.00 C ATOM 176 CE2 PHE A 13 23.605 -8.591 6.225 1.00 0.00 C ATOM 177 CZ PHE A 13 24.517 -9.626 6.150 1.00 0.00 C ATOM 0 H PHE A 13 28.181 -3.775 7.168 1.00 0.00 H new ATOM 0 HA PHE A 13 27.442 -5.622 6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 13 26.330 -5.885 8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 13 24.876 -5.176 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 13 27.256 -8.005 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 13 23.292 -6.540 6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 13 26.545 -10.220 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 13 22.577 -8.754 5.936 1.00 0.00 H new ATOM 0 HZ PHE A 13 24.204 -10.599 5.801 1.00 0.00 H new ATOM 187 N SER A 14 24.503 -4.337 5.479 1.00 0.00 N ATOM 188 CA SER A 14 23.611 -4.006 4.372 1.00 0.00 C ATOM 189 C SER A 14 22.702 -2.834 4.729 1.00 0.00 C ATOM 190 O SER A 14 22.671 -2.387 5.876 1.00 0.00 O ATOM 191 CB SER A 14 22.769 -5.224 3.988 1.00 0.00 C ATOM 192 OG SER A 14 21.943 -5.634 5.065 1.00 0.00 O ATOM 0 H SER A 14 24.067 -4.294 6.400 1.00 0.00 H new ATOM 0 HA SER A 14 24.226 -3.713 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.151 -4.985 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.424 -6.045 3.695 1.00 0.00 H new ATOM 0 HG SER A 14 22.262 -6.493 5.414 1.00 0.00 H new ATOM 198 N SER A 15 21.965 -2.340 3.737 1.00 0.00 N ATOM 199 CA SER A 15 21.055 -1.218 3.944 1.00 0.00 C ATOM 200 C SER A 15 19.802 -1.362 3.084 1.00 0.00 C ATOM 201 O SER A 15 18.797 -0.692 3.319 1.00 0.00 O ATOM 202 CB SER A 15 21.759 0.099 3.621 1.00 0.00 C ATOM 203 OG SER A 15 22.226 0.111 2.282 1.00 0.00 O ATOM 0 H SER A 15 21.981 -2.699 2.783 1.00 0.00 H new ATOM 0 HA SER A 15 20.754 -1.217 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.072 0.931 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.597 0.245 4.303 1.00 0.00 H new ATOM 0 HG SER A 15 22.671 0.964 2.098 1.00 0.00 H new ATOM 209 N ALA A 16 19.870 -2.243 2.089 1.00 0.00 N ATOM 210 CA ALA A 16 18.743 -2.475 1.192 1.00 0.00 C ATOM 211 C ALA A 16 17.497 -2.888 1.970 1.00 0.00 C ATOM 212 O ALA A 16 16.374 -2.739 1.486 1.00 0.00 O ATOM 213 CB ALA A 16 19.100 -3.535 0.161 1.00 0.00 C ATOM 0 H ALA A 16 20.694 -2.808 1.884 1.00 0.00 H new ATOM 0 HA ALA A 16 18.523 -1.541 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.250 -3.698 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.957 -3.200 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 19.349 -4.467 0.669 1.00 0.00 H new ATOM 219 N SER A 17 17.703 -3.405 3.178 1.00 0.00 N ATOM 220 CA SER A 17 16.598 -3.839 4.024 1.00 0.00 C ATOM 221 C SER A 17 16.723 -3.250 5.427 1.00 0.00 C ATOM 222 O SER A 17 16.094 -3.729 6.370 1.00 0.00 O ATOM 223 CB SER A 17 16.561 -5.367 4.099 1.00 0.00 C ATOM 224 OG SER A 17 15.457 -5.814 4.868 1.00 0.00 O ATOM 0 H SER A 17 18.626 -3.533 3.592 1.00 0.00 H new ATOM 0 HA SER A 17 15.668 -3.480 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.499 -5.782 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.488 -5.735 4.539 1.00 0.00 H new ATOM 0 HG SER A 17 15.324 -5.213 5.630 1.00 0.00 H new ATOM 230 N ASP A 18 17.530 -2.201 5.554 1.00 0.00 N ATOM 231 CA ASP A 18 17.735 -1.547 6.840 1.00 0.00 C ATOM 232 C ASP A 18 17.684 -0.029 6.703 1.00 0.00 C ATOM 233 O ASP A 18 16.634 0.586 6.882 1.00 0.00 O ATOM 234 CB ASP A 18 19.073 -1.976 7.448 1.00 0.00 C ATOM 235 CG ASP A 18 19.122 -3.462 7.744 1.00 0.00 C ATOM 236 OD1 ASP A 18 19.512 -4.234 6.844 1.00 0.00 O ATOM 237 OD2 ASP A 18 18.771 -3.853 8.877 1.00 0.00 O ATOM 0 H ASP A 18 18.052 -1.787 4.782 1.00 0.00 H new ATOM 0 HA ASP A 18 16.927 -1.855 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.880 -1.718 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.246 -1.419 8.369 1.00 0.00 H new ATOM 242 N ALA A 19 18.826 0.565 6.382 1.00 0.00 N ATOM 243 CA ALA A 19 18.923 2.012 6.225 1.00 0.00 C ATOM 244 C ALA A 19 18.127 2.496 5.016 1.00 0.00 C ATOM 245 O ALA A 19 17.240 3.339 5.144 1.00 0.00 O ATOM 246 CB ALA A 19 20.380 2.431 6.104 1.00 0.00 C ATOM 0 H ALA A 19 19.701 0.066 6.225 1.00 0.00 H new ATOM 0 HA ALA A 19 18.493 2.476 7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.439 3.513 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.920 2.133 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.827 1.948 5.235 1.00 0.00 H new ATOM 252 N GLU A 20 18.451 1.959 3.842 1.00 0.00 N ATOM 253 CA GLU A 20 17.762 2.338 2.612 1.00 0.00 C ATOM 254 C GLU A 20 16.275 2.012 2.707 1.00 0.00 C ATOM 255 O GLU A 20 15.425 2.809 2.306 1.00 0.00 O ATOM 256 CB GLU A 20 18.377 1.616 1.411 1.00 0.00 C ATOM 257 CG GLU A 20 17.829 2.080 0.071 1.00 0.00 C ATOM 258 CD GLU A 20 18.138 3.538 -0.212 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.252 3.824 -0.701 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.266 4.392 0.054 1.00 0.00 O ATOM 0 H GLU A 20 19.185 1.262 3.717 1.00 0.00 H new ATOM 0 HA GLU A 20 17.877 3.413 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.457 1.765 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.202 0.545 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.249 1.463 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.749 1.931 0.053 1.00 0.00 H new ATOM 267 N PHE A 21 15.970 0.834 3.241 1.00 0.00 N ATOM 268 CA PHE A 21 14.588 0.398 3.394 1.00 0.00 C ATOM 269 C PHE A 21 13.805 1.391 4.248 1.00 0.00 C ATOM 270 O PHE A 21 12.638 1.674 3.977 1.00 0.00 O ATOM 271 CB PHE A 21 14.538 -0.991 4.030 1.00 0.00 C ATOM 272 CG PHE A 21 13.216 -1.684 3.863 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.166 -1.421 4.730 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.022 -2.596 2.839 1.00 0.00 C ATOM 275 CE1 PHE A 21 10.948 -2.055 4.575 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.806 -3.233 2.681 1.00 0.00 C ATOM 277 CZ PHE A 21 10.768 -2.962 3.550 1.00 0.00 C ATOM 0 H PHE A 21 16.663 0.164 3.575 1.00 0.00 H new ATOM 0 HA PHE A 21 14.131 0.351 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.321 -1.610 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.760 -0.902 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.302 -0.713 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.830 -2.812 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.137 -1.841 5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.668 -3.942 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.817 -3.459 3.428 1.00 0.00 H new ATOM 287 N ASP A 22 14.461 1.917 5.279 1.00 0.00 N ATOM 288 CA ASP A 22 13.834 2.881 6.176 1.00 0.00 C ATOM 289 C ASP A 22 13.490 4.169 5.437 1.00 0.00 C ATOM 290 O ASP A 22 12.426 4.752 5.649 1.00 0.00 O ATOM 291 CB ASP A 22 14.761 3.187 7.355 1.00 0.00 C ATOM 292 CG ASP A 22 14.197 4.255 8.271 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.406 3.908 9.174 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.544 5.440 8.084 1.00 0.00 O ATOM 0 H ASP A 22 15.428 1.691 5.513 1.00 0.00 H new ATOM 0 HA ASP A 22 12.910 2.443 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.931 2.275 7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.730 3.511 6.977 1.00 0.00 H new ATOM 299 N ALA A 23 14.399 4.612 4.573 1.00 0.00 N ATOM 300 CA ALA A 23 14.190 5.829 3.799 1.00 0.00 C ATOM 301 C ALA A 23 12.892 5.750 3.004 1.00 0.00 C ATOM 302 O ALA A 23 12.098 6.693 2.994 1.00 0.00 O ATOM 303 CB ALA A 23 15.369 6.073 2.870 1.00 0.00 C ATOM 0 H ALA A 23 15.288 4.145 4.392 1.00 0.00 H new ATOM 0 HA ALA A 23 14.113 6.667 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.199 6.985 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.280 6.178 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.474 5.231 2.186 1.00 0.00 H new ATOM 309 N VAL A 24 12.682 4.618 2.337 1.00 0.00 N ATOM 310 CA VAL A 24 11.473 4.418 1.549 1.00 0.00 C ATOM 311 C VAL A 24 10.232 4.557 2.421 1.00 0.00 C ATOM 312 O VAL A 24 9.310 5.299 2.085 1.00 0.00 O ATOM 313 CB VAL A 24 11.456 3.037 0.866 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.227 2.900 -0.021 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.729 2.822 0.064 1.00 0.00 C ATOM 0 H VAL A 24 13.330 3.831 2.327 1.00 0.00 H new ATOM 0 HA VAL A 24 11.468 5.187 0.777 1.00 0.00 H new ATOM 0 HB VAL A 24 11.409 2.268 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.229 1.919 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.327 3.008 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.243 3.675 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.699 1.841 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.811 3.594 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.591 2.877 0.729 1.00 0.00 H new ATOM 325 N VAL A 25 10.221 3.846 3.548 1.00 0.00 N ATOM 326 CA VAL A 25 9.093 3.893 4.473 1.00 0.00 C ATOM 327 C VAL A 25 8.723 5.335 4.800 1.00 0.00 C ATOM 328 O VAL A 25 7.549 5.664 4.965 1.00 0.00 O ATOM 329 CB VAL A 25 9.401 3.139 5.782 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.224 3.221 6.743 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.753 1.689 5.489 1.00 0.00 C ATOM 0 H VAL A 25 10.981 3.232 3.841 1.00 0.00 H new ATOM 0 HA VAL A 25 8.253 3.404 3.979 1.00 0.00 H new ATOM 0 HB VAL A 25 10.259 3.614 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.464 2.682 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.019 4.265 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.344 2.775 6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.968 1.171 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.914 1.205 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.630 1.651 4.843 1.00 0.00 H new ATOM 341 N GLY A 26 9.736 6.192 4.890 1.00 0.00 N ATOM 342 CA GLY A 26 9.496 7.589 5.186 1.00 0.00 C ATOM 343 C GLY A 26 8.721 8.280 4.082 1.00 0.00 C ATOM 344 O GLY A 26 7.773 9.019 4.348 1.00 0.00 O ATOM 0 H GLY A 26 10.717 5.942 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.944 7.671 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.449 8.097 5.332 1.00 0.00 H new ATOM 348 N TYR A 27 9.124 8.034 2.837 1.00 0.00 N ATOM 349 CA TYR A 27 8.460 8.637 1.684 1.00 0.00 C ATOM 350 C TYR A 27 6.978 8.273 1.649 1.00 0.00 C ATOM 351 O TYR A 27 6.126 9.141 1.459 1.00 0.00 O ATOM 352 CB TYR A 27 9.138 8.202 0.382 1.00 0.00 C ATOM 353 CG TYR A 27 10.560 8.702 0.241 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.848 10.060 0.290 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.614 7.814 0.059 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.145 10.519 0.164 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.913 8.266 -0.068 1.00 0.00 C ATOM 358 CZ TYR A 27 13.173 9.619 -0.015 1.00 0.00 C ATOM 359 OH TYR A 27 14.465 10.073 -0.138 1.00 0.00 O ATOM 0 H TYR A 27 9.906 7.422 2.601 1.00 0.00 H new ATOM 0 HA TYR A 27 8.545 9.719 1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.138 7.113 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.550 8.563 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.045 10.769 0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.414 6.754 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.352 11.578 0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.721 7.563 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 27 15.070 9.311 -0.257 1.00 0.00 H new ATOM 369 N LEU A 28 6.677 6.988 1.825 1.00 0.00 N ATOM 370 CA LEU A 28 5.294 6.521 1.814 1.00 0.00 C ATOM 371 C LEU A 28 4.451 7.286 2.829 1.00 0.00 C ATOM 372 O LEU A 28 3.347 7.732 2.518 1.00 0.00 O ATOM 373 CB LEU A 28 5.230 5.021 2.111 1.00 0.00 C ATOM 374 CG LEU A 28 5.584 4.107 0.935 1.00 0.00 C ATOM 375 CD1 LEU A 28 7.082 4.089 0.698 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.064 2.699 1.182 1.00 0.00 C ATOM 0 H LEU A 28 7.370 6.255 1.976 1.00 0.00 H new ATOM 0 HA LEU A 28 4.889 6.703 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.906 4.801 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.223 4.777 2.450 1.00 0.00 H new ATOM 0 HG LEU A 28 5.104 4.501 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.310 3.433 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.427 5.098 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.587 3.723 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.324 2.062 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.515 2.299 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.980 2.726 1.296 1.00 0.00 H new ATOM 388 N GLU A 29 4.978 7.431 4.042 1.00 0.00 N ATOM 389 CA GLU A 29 4.272 8.145 5.103 1.00 0.00 C ATOM 390 C GLU A 29 3.898 9.554 4.653 1.00 0.00 C ATOM 391 O GLU A 29 2.803 10.037 4.946 1.00 0.00 O ATOM 392 CB GLU A 29 5.131 8.210 6.367 1.00 0.00 C ATOM 393 CG GLU A 29 5.365 6.854 7.012 1.00 0.00 C ATOM 394 CD GLU A 29 6.290 6.931 8.211 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.798 7.214 9.324 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.507 6.709 8.038 1.00 0.00 O ATOM 0 H GLU A 29 5.890 7.064 4.315 1.00 0.00 H new ATOM 0 HA GLU A 29 3.356 7.598 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.094 8.657 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.650 8.869 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.408 6.433 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.789 6.173 6.274 1.00 0.00 H new ATOM 403 N ASP A 30 4.811 10.206 3.938 1.00 0.00 N ATOM 404 CA ASP A 30 4.570 11.557 3.444 1.00 0.00 C ATOM 405 C ASP A 30 3.381 11.578 2.489 1.00 0.00 C ATOM 406 O ASP A 30 2.639 12.558 2.424 1.00 0.00 O ATOM 407 CB ASP A 30 5.815 12.100 2.738 1.00 0.00 C ATOM 408 CG ASP A 30 6.961 12.351 3.698 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.896 13.342 4.455 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.925 11.557 3.693 1.00 0.00 O ATOM 0 H ASP A 30 5.722 9.821 3.689 1.00 0.00 H new ATOM 0 HA ASP A 30 4.343 12.194 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.134 11.391 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.563 13.029 2.227 1.00 0.00 H new ATOM 415 N ILE A 31 3.207 10.485 1.753 1.00 0.00 N ATOM 416 CA ILE A 31 2.109 10.370 0.800 1.00 0.00 C ATOM 417 C ILE A 31 0.791 10.075 1.510 1.00 0.00 C ATOM 418 O ILE A 31 -0.271 10.516 1.074 1.00 0.00 O ATOM 419 CB ILE A 31 2.384 9.259 -0.235 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.715 9.515 -0.946 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.245 9.177 -1.243 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.177 8.358 -1.806 1.00 0.00 C ATOM 0 H ILE A 31 3.813 9.666 1.798 1.00 0.00 H new ATOM 0 HA ILE A 31 2.032 11.328 0.286 1.00 0.00 H new ATOM 0 HB ILE A 31 2.449 8.304 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.619 10.404 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.480 9.730 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.455 8.389 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.314 8.954 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.150 10.130 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.126 8.612 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.306 7.472 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.432 8.156 -2.575 1.00 0.00 H new ATOM 434 N ILE A 32 0.868 9.331 2.608 1.00 0.00 N ATOM 435 CA ILE A 32 -0.321 8.975 3.374 1.00 0.00 C ATOM 436 C ILE A 32 -0.983 10.215 3.975 1.00 0.00 C ATOM 437 O ILE A 32 -2.210 10.314 4.017 1.00 0.00 O ATOM 438 CB ILE A 32 0.015 7.979 4.503 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.601 6.692 3.914 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.225 7.673 5.332 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.126 5.729 4.957 1.00 0.00 C ATOM 0 H ILE A 32 1.740 8.963 2.987 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.015 8.501 2.680 1.00 0.00 H new ATOM 0 HB ILE A 32 0.759 8.432 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.166 6.191 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.410 6.951 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.969 6.969 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.603 8.594 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.992 7.236 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.525 4.842 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.916 6.211 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.315 5.439 5.626 1.00 0.00 H new ATOM 453 N MET A 33 -0.165 11.156 4.435 1.00 0.00 N ATOM 454 CA MET A 33 -0.677 12.385 5.033 1.00 0.00 C ATOM 455 C MET A 33 -0.925 13.451 3.969 1.00 0.00 C ATOM 456 O MET A 33 -1.318 14.576 4.284 1.00 0.00 O ATOM 457 CB MET A 33 0.300 12.916 6.085 1.00 0.00 C ATOM 458 CG MET A 33 0.484 11.984 7.271 1.00 0.00 C ATOM 459 SD MET A 33 -1.052 11.696 8.172 1.00 0.00 S ATOM 460 CE MET A 33 -0.508 10.512 9.400 1.00 0.00 C ATOM 0 H MET A 33 0.853 11.092 4.406 1.00 0.00 H new ATOM 0 HA MET A 33 -1.626 12.152 5.515 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.268 13.088 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.056 13.882 6.444 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.880 11.031 6.921 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.225 12.407 7.949 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.349 10.235 10.036 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.122 9.623 8.902 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.278 10.956 10.010 1.00 0.00 H new ATOM 470 N ASP A 34 -0.692 13.093 2.709 1.00 0.00 N ATOM 471 CA ASP A 34 -0.892 14.022 1.602 1.00 0.00 C ATOM 472 C ASP A 34 -2.377 14.313 1.399 1.00 0.00 C ATOM 473 O ASP A 34 -3.199 13.397 1.366 1.00 0.00 O ATOM 474 CB ASP A 34 -0.288 13.456 0.315 1.00 0.00 C ATOM 475 CG ASP A 34 -0.463 14.388 -0.866 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.322 15.352 -0.985 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.387 14.155 -1.672 1.00 0.00 O ATOM 0 H ASP A 34 -0.365 12.168 2.430 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.387 14.956 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.774 13.265 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.755 12.497 0.089 1.00 0.00 H new ATOM 482 N ASP A 35 -2.710 15.592 1.260 1.00 0.00 N ATOM 483 CA ASP A 35 -4.095 16.008 1.067 1.00 0.00 C ATOM 484 C ASP A 35 -4.692 15.383 -0.193 1.00 0.00 C ATOM 485 O ASP A 35 -5.795 14.836 -0.162 1.00 0.00 O ATOM 486 CB ASP A 35 -4.183 17.533 0.984 1.00 0.00 C ATOM 487 CG ASP A 35 -3.275 18.109 -0.086 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.087 18.355 0.213 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.753 18.317 -1.221 1.00 0.00 O ATOM 0 H ASP A 35 -2.039 16.360 1.277 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.671 15.660 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.213 17.824 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.918 17.962 1.950 1.00 0.00 H new ATOM 494 N GLU A 36 -3.957 15.467 -1.296 1.00 0.00 N ATOM 495 CA GLU A 36 -4.417 14.916 -2.569 1.00 0.00 C ATOM 496 C GLU A 36 -4.601 13.402 -2.480 1.00 0.00 C ATOM 497 O GLU A 36 -5.359 12.815 -3.253 1.00 0.00 O ATOM 498 CB GLU A 36 -3.422 15.255 -3.682 1.00 0.00 C ATOM 499 CG GLU A 36 -3.869 14.802 -5.061 1.00 0.00 C ATOM 500 CD GLU A 36 -2.819 15.053 -6.126 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.835 16.147 -6.728 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.982 14.156 -6.356 1.00 0.00 O ATOM 0 H GLU A 36 -3.040 15.911 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.383 15.365 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.262 16.333 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.462 14.794 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.104 13.738 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.787 15.324 -5.331 1.00 0.00 H new ATOM 509 N PHE A 37 -3.909 12.777 -1.533 1.00 0.00 N ATOM 510 CA PHE A 37 -3.998 11.331 -1.350 1.00 0.00 C ATOM 511 C PHE A 37 -5.280 10.946 -0.619 1.00 0.00 C ATOM 512 O PHE A 37 -5.917 9.947 -0.951 1.00 0.00 O ATOM 513 CB PHE A 37 -2.780 10.819 -0.578 1.00 0.00 C ATOM 514 CG PHE A 37 -2.869 9.365 -0.202 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.650 8.376 -1.147 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.173 8.990 1.098 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.732 7.040 -0.803 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.258 7.656 1.447 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.036 6.679 0.495 1.00 0.00 C ATOM 0 H PHE A 37 -3.281 13.247 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.017 10.868 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.886 10.975 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.660 11.413 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.413 8.652 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.345 9.750 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.558 6.279 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.498 7.377 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.100 5.635 0.766 1.00 0.00 H new ATOM 529 N GLN A 38 -5.651 11.740 0.378 1.00 0.00 N ATOM 530 CA GLN A 38 -6.857 11.475 1.153 1.00 0.00 C ATOM 531 C GLN A 38 -8.102 11.602 0.278 1.00 0.00 C ATOM 532 O GLN A 38 -9.035 10.806 0.389 1.00 0.00 O ATOM 533 CB GLN A 38 -6.945 12.435 2.341 1.00 0.00 C ATOM 534 CG GLN A 38 -5.769 12.319 3.297 1.00 0.00 C ATOM 535 CD GLN A 38 -5.880 13.256 4.484 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.466 14.334 4.386 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.312 12.848 5.613 1.00 0.00 N ATOM 0 H GLN A 38 -5.136 12.571 0.668 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.805 10.453 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.002 13.458 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.868 12.242 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.699 11.292 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.846 12.532 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.837 11.946 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.351 13.436 6.445 1.00 0.00 H new ATOM 546 N LEU A 39 -8.106 12.605 -0.595 1.00 0.00 N ATOM 547 CA LEU A 39 -9.234 12.838 -1.492 1.00 0.00 C ATOM 548 C LEU A 39 -9.331 11.732 -2.543 1.00 0.00 C ATOM 549 O LEU A 39 -10.409 11.198 -2.796 1.00 0.00 O ATOM 550 CB LEU A 39 -9.091 14.203 -2.174 1.00 0.00 C ATOM 551 CG LEU A 39 -10.402 14.853 -2.628 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.174 16.313 -2.989 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.997 14.102 -3.811 1.00 0.00 C ATOM 0 H LEU A 39 -7.340 13.270 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.150 12.829 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.588 14.883 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.442 14.090 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.110 14.804 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.115 16.760 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.796 16.848 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.447 16.378 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.927 14.582 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.292 14.116 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.198 13.070 -3.523 1.00 0.00 H new ATOM 565 N LEU A 40 -8.195 11.396 -3.147 1.00 0.00 N ATOM 566 CA LEU A 40 -8.143 10.355 -4.173 1.00 0.00 C ATOM 567 C LEU A 40 -8.629 9.013 -3.629 1.00 0.00 C ATOM 568 O LEU A 40 -9.507 8.373 -4.211 1.00 0.00 O ATOM 569 CB LEU A 40 -6.709 10.215 -4.701 1.00 0.00 C ATOM 570 CG LEU A 40 -6.439 8.983 -5.570 1.00 0.00 C ATOM 571 CD1 LEU A 40 -7.075 9.138 -6.943 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.943 8.743 -5.701 1.00 0.00 C ATOM 0 H LEU A 40 -7.295 11.830 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.805 10.649 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.466 11.106 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.028 10.193 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.889 8.118 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.869 8.251 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.153 9.260 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.659 10.015 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.768 7.864 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.474 9.612 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.513 8.581 -4.713 1.00 0.00 H new ATOM 584 N GLN A 41 -8.052 8.597 -2.507 1.00 0.00 N ATOM 585 CA GLN A 41 -8.403 7.327 -1.883 1.00 0.00 C ATOM 586 C GLN A 41 -9.867 7.292 -1.443 1.00 0.00 C ATOM 587 O GLN A 41 -10.585 6.338 -1.736 1.00 0.00 O ATOM 588 CB GLN A 41 -7.491 7.063 -0.683 1.00 0.00 C ATOM 589 CG GLN A 41 -7.733 5.722 -0.010 1.00 0.00 C ATOM 590 CD GLN A 41 -7.261 4.547 -0.846 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.252 4.605 -2.076 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.868 3.469 -0.179 1.00 0.00 N ATOM 0 H GLN A 41 -7.335 9.124 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.263 6.544 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.452 7.112 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.632 7.857 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.220 5.706 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.798 5.611 0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.892 3.463 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.542 2.646 -0.686 1.00 0.00 H new ATOM 601 N ARG A 42 -10.302 8.331 -0.737 1.00 0.00 N ATOM 602 CA ARG A 42 -11.678 8.400 -0.250 1.00 0.00 C ATOM 603 C ARG A 42 -12.679 8.459 -1.401 1.00 0.00 C ATOM 604 O ARG A 42 -13.789 7.935 -1.296 1.00 0.00 O ATOM 605 CB ARG A 42 -11.862 9.615 0.660 1.00 0.00 C ATOM 606 CG ARG A 42 -13.263 9.737 1.237 1.00 0.00 C ATOM 607 CD ARG A 42 -13.403 10.972 2.112 1.00 0.00 C ATOM 608 NE ARG A 42 -13.108 12.200 1.378 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.792 13.351 1.964 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.726 13.430 3.286 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.542 14.425 1.226 1.00 0.00 N ATOM 0 H ARG A 42 -9.725 9.135 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.870 7.491 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.145 9.557 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.630 10.519 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.989 9.782 0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.494 8.847 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.417 11.022 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.730 10.890 2.966 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.147 12.173 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.918 12.606 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.483 14.314 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.592 14.368 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.300 15.308 1.676 1.00 0.00 H new ATOM 625 N ASN A 43 -12.284 9.098 -2.496 1.00 0.00 N ATOM 626 CA ASN A 43 -13.155 9.233 -3.657 1.00 0.00 C ATOM 627 C ASN A 43 -13.513 7.872 -4.245 1.00 0.00 C ATOM 628 O ASN A 43 -14.684 7.584 -4.496 1.00 0.00 O ATOM 629 CB ASN A 43 -12.486 10.098 -4.726 1.00 0.00 C ATOM 630 CG ASN A 43 -13.356 10.277 -5.955 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.271 9.503 -6.908 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.200 11.301 -5.937 1.00 0.00 N ATOM 0 H ASN A 43 -11.367 9.531 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.075 9.715 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.253 11.076 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.540 9.643 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.812 11.472 -6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.237 11.917 -5.125 1.00 0.00 H new ATOM 639 N PHE A 44 -12.503 7.037 -4.459 1.00 0.00 N ATOM 640 CA PHE A 44 -12.718 5.710 -5.025 1.00 0.00 C ATOM 641 C PHE A 44 -13.308 4.749 -3.997 1.00 0.00 C ATOM 642 O PHE A 44 -14.231 3.995 -4.303 1.00 0.00 O ATOM 643 CB PHE A 44 -11.408 5.151 -5.581 1.00 0.00 C ATOM 644 CG PHE A 44 -11.082 5.662 -6.955 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.479 6.898 -7.126 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.384 4.906 -8.077 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.182 7.370 -8.392 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.091 5.373 -9.343 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.489 6.606 -9.502 1.00 0.00 C ATOM 0 H PHE A 44 -11.529 7.254 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.437 5.810 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.594 5.407 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.468 4.063 -5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.238 7.499 -6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.854 3.941 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.711 8.334 -8.513 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.333 4.774 -10.209 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.259 6.972 -10.492 1.00 0.00 H new ATOM 659 N MET A 45 -12.775 4.780 -2.780 1.00 0.00 N ATOM 660 CA MET A 45 -13.255 3.904 -1.715 1.00 0.00 C ATOM 661 C MET A 45 -14.752 4.090 -1.478 1.00 0.00 C ATOM 662 O MET A 45 -15.435 3.169 -1.032 1.00 0.00 O ATOM 663 CB MET A 45 -12.489 4.164 -0.416 1.00 0.00 C ATOM 664 CG MET A 45 -11.081 3.593 -0.413 1.00 0.00 C ATOM 665 SD MET A 45 -10.288 3.711 1.202 1.00 0.00 S ATOM 666 CE MET A 45 -11.368 2.674 2.184 1.00 0.00 C ATOM 0 H MET A 45 -12.013 5.400 -2.506 1.00 0.00 H new ATOM 0 HA MET A 45 -13.081 2.876 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.436 5.239 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.047 3.736 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.116 2.548 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.477 4.122 -1.150 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.768 2.039 2.836 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.023 3.301 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.971 2.050 1.525 1.00 0.00 H new ATOM 676 N ASP A 46 -15.255 5.284 -1.782 1.00 0.00 N ATOM 677 CA ASP A 46 -16.673 5.584 -1.601 1.00 0.00 C ATOM 678 C ASP A 46 -17.539 4.663 -2.454 1.00 0.00 C ATOM 679 O ASP A 46 -18.645 4.294 -2.060 1.00 0.00 O ATOM 680 CB ASP A 46 -16.958 7.045 -1.957 1.00 0.00 C ATOM 681 CG ASP A 46 -18.397 7.436 -1.681 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.258 7.188 -2.551 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.663 7.989 -0.593 1.00 0.00 O ATOM 0 H ASP A 46 -14.704 6.057 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.921 5.418 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.292 7.692 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.735 7.210 -3.011 1.00 0.00 H new ATOM 688 N LYS A 47 -17.027 4.297 -3.626 1.00 0.00 N ATOM 689 CA LYS A 47 -17.750 3.419 -4.541 1.00 0.00 C ATOM 690 C LYS A 47 -17.409 1.961 -4.264 1.00 0.00 C ATOM 691 O LYS A 47 -18.256 1.073 -4.387 1.00 0.00 O ATOM 692 CB LYS A 47 -17.388 3.763 -5.986 1.00 0.00 C ATOM 693 CG LYS A 47 -18.425 3.315 -7.004 1.00 0.00 C ATOM 694 CD LYS A 47 -19.741 4.057 -6.827 1.00 0.00 C ATOM 695 CE LYS A 47 -20.768 3.624 -7.860 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.093 2.174 -7.747 1.00 0.00 N ATOM 0 H LYS A 47 -16.112 4.596 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.819 3.566 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.253 4.841 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.431 3.302 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.044 3.484 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.595 2.243 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.131 3.874 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.569 5.130 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.678 4.211 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.388 3.834 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.943 1.964 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.295 1.611 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.268 1.934 -6.750 1.00 0.00 H new ATOM 710 N TYR A 48 -16.157 1.726 -3.899 1.00 0.00 N ATOM 711 CA TYR A 48 -15.684 0.379 -3.600 1.00 0.00 C ATOM 712 C TYR A 48 -16.511 -0.273 -2.494 1.00 0.00 C ATOM 713 O TYR A 48 -16.994 -1.392 -2.654 1.00 0.00 O ATOM 714 CB TYR A 48 -14.207 0.409 -3.199 1.00 0.00 C ATOM 715 CG TYR A 48 -13.248 0.357 -4.371 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.343 1.268 -5.415 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.241 -0.601 -4.427 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.467 1.225 -6.483 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.360 -0.651 -5.492 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.477 0.265 -6.515 1.00 0.00 C ATOM 721 OH TYR A 48 -10.601 0.221 -7.576 1.00 0.00 O ATOM 0 H TYR A 48 -15.447 2.452 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.799 -0.219 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.015 1.316 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.003 -0.434 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.115 2.023 -5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.145 -1.318 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.557 1.939 -7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.585 -1.403 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.906 0.901 -7.455 1.00 0.00 H new ATOM 731 N TYR A 49 -16.676 0.429 -1.373 1.00 0.00 N ATOM 732 CA TYR A 49 -17.435 -0.112 -0.248 1.00 0.00 C ATOM 733 C TYR A 49 -18.924 -0.225 -0.577 1.00 0.00 C ATOM 734 O TYR A 49 -19.672 -0.894 0.138 1.00 0.00 O ATOM 735 CB TYR A 49 -17.191 0.714 1.026 1.00 0.00 C ATOM 736 CG TYR A 49 -18.215 1.794 1.317 1.00 0.00 C ATOM 737 CD1 TYR A 49 -19.352 1.515 2.068 1.00 0.00 C ATOM 738 CD2 TYR A 49 -18.030 3.095 0.868 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.277 2.500 2.356 1.00 0.00 C ATOM 740 CE2 TYR A 49 -18.948 4.087 1.156 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.070 3.784 1.900 1.00 0.00 C ATOM 742 OH TYR A 49 -20.986 4.768 2.188 1.00 0.00 O ATOM 0 H TYR A 49 -16.298 1.364 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.076 -1.124 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.156 0.033 1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.209 1.181 0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -19.515 0.511 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -17.154 3.336 0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -21.158 2.265 2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -18.788 5.094 0.801 1.00 0.00 H new ATOM 0 HH TYR A 49 -20.691 5.615 1.794 1.00 0.00 H new ATOM 752 N LEU A 50 -19.355 0.428 -1.656 1.00 0.00 N ATOM 753 CA LEU A 50 -20.753 0.358 -2.079 1.00 0.00 C ATOM 754 C LEU A 50 -21.054 -1.014 -2.665 1.00 0.00 C ATOM 755 O LEU A 50 -22.021 -1.669 -2.278 1.00 0.00 O ATOM 756 CB LEU A 50 -21.064 1.440 -3.120 1.00 0.00 C ATOM 757 CG LEU A 50 -21.362 2.850 -2.584 1.00 0.00 C ATOM 758 CD1 LEU A 50 -22.772 3.265 -2.967 1.00 0.00 C ATOM 759 CD2 LEU A 50 -21.187 2.934 -1.074 1.00 0.00 C ATOM 0 H LEU A 50 -18.761 1.007 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.381 0.525 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.217 1.508 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -21.922 1.111 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.643 3.533 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.974 4.265 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.868 3.267 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.487 2.561 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.408 3.947 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.868 2.235 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -20.160 2.680 -0.812 1.00 0.00 H new ATOM 771 N GLU A 51 -20.214 -1.442 -3.603 1.00 0.00 N ATOM 772 CA GLU A 51 -20.381 -2.739 -4.246 1.00 0.00 C ATOM 773 C GLU A 51 -20.121 -3.871 -3.256 1.00 0.00 C ATOM 774 O GLU A 51 -20.809 -4.892 -3.273 1.00 0.00 O ATOM 775 CB GLU A 51 -19.437 -2.863 -5.443 1.00 0.00 C ATOM 776 CG GLU A 51 -19.657 -1.795 -6.501 1.00 0.00 C ATOM 777 CD GLU A 51 -18.754 -1.974 -7.706 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.621 -1.450 -7.680 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.181 -2.637 -8.674 1.00 0.00 O ATOM 0 H GLU A 51 -19.410 -0.908 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.410 -2.816 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.407 -2.808 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.566 -3.845 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.698 -1.818 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.481 -0.813 -6.063 1.00 0.00 H new ATOM 786 N PHE A 52 -19.127 -3.680 -2.394 1.00 0.00 N ATOM 787 CA PHE A 52 -18.779 -4.683 -1.393 1.00 0.00 C ATOM 788 C PHE A 52 -19.812 -4.708 -0.272 1.00 0.00 C ATOM 789 O PHE A 52 -19.653 -4.039 0.749 1.00 0.00 O ATOM 790 CB PHE A 52 -17.388 -4.408 -0.817 1.00 0.00 C ATOM 791 CG PHE A 52 -16.269 -4.914 -1.679 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.992 -4.321 -2.901 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.491 -5.985 -1.267 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.963 -4.786 -3.694 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.461 -6.455 -2.057 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.195 -5.854 -3.272 1.00 0.00 C ATOM 0 H PHE A 52 -18.548 -2.840 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.771 -5.658 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.269 -3.334 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.314 -4.870 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.588 -3.485 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.693 -6.457 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.758 -4.315 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.864 -7.292 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.388 -6.218 -3.891 1.00 0.00 H new ATOM 806 N GLU A 53 -20.876 -5.478 -0.475 1.00 0.00 N ATOM 807 CA GLU A 53 -21.940 -5.593 0.515 1.00 0.00 C ATOM 808 C GLU A 53 -21.819 -6.901 1.291 1.00 0.00 C ATOM 809 O GLU A 53 -21.509 -7.946 0.718 1.00 0.00 O ATOM 810 CB GLU A 53 -23.307 -5.512 -0.168 1.00 0.00 C ATOM 811 CG GLU A 53 -24.475 -5.514 0.804 1.00 0.00 C ATOM 812 CD GLU A 53 -25.816 -5.431 0.102 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.170 -4.332 -0.372 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.512 -6.466 0.026 1.00 0.00 O ATOM 0 H GLU A 53 -21.024 -6.033 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.844 -4.766 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.349 -4.605 -0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.413 -6.355 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.440 -6.421 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.375 -4.672 1.489 1.00 0.00 H new ATOM 821 N ASP A 54 -22.064 -6.837 2.596 1.00 0.00 N ATOM 822 CA ASP A 54 -21.980 -8.019 3.447 1.00 0.00 C ATOM 823 C ASP A 54 -23.009 -9.064 3.027 1.00 0.00 C ATOM 824 O ASP A 54 -24.172 -9.004 3.429 1.00 0.00 O ATOM 825 CB ASP A 54 -22.188 -7.634 4.914 1.00 0.00 C ATOM 826 CG ASP A 54 -22.156 -8.837 5.838 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.052 -9.372 6.075 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.232 -9.240 6.325 1.00 0.00 O ATOM 0 H ASP A 54 -22.322 -5.981 3.087 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.986 -8.451 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.414 -6.928 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.145 -7.123 5.020 1.00 0.00 H new ATOM 833 N THR A 55 -22.573 -10.018 2.209 1.00 0.00 N ATOM 834 CA THR A 55 -23.452 -11.078 1.727 1.00 0.00 C ATOM 835 C THR A 55 -22.789 -12.446 1.859 1.00 0.00 C ATOM 836 O THR A 55 -21.691 -12.564 2.403 1.00 0.00 O ATOM 837 CB THR A 55 -23.841 -10.852 0.255 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.676 -10.918 -0.576 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.521 -9.502 0.075 1.00 0.00 C ATOM 0 H THR A 55 -21.614 -10.078 1.866 1.00 0.00 H new ATOM 0 HA THR A 55 -24.350 -11.052 2.345 1.00 0.00 H new ATOM 0 HB THR A 55 -24.540 -11.636 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.933 -10.775 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.786 -9.365 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.423 -9.465 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.841 -8.708 0.384 1.00 0.00 H new ATOM 847 N GLU A 56 -23.465 -13.476 1.358 1.00 0.00 N ATOM 848 CA GLU A 56 -22.942 -14.838 1.415 1.00 0.00 C ATOM 849 C GLU A 56 -22.706 -15.386 0.012 1.00 0.00 C ATOM 850 O GLU A 56 -22.158 -16.477 -0.154 1.00 0.00 O ATOM 851 CB GLU A 56 -23.904 -15.755 2.176 1.00 0.00 C ATOM 852 CG GLU A 56 -25.284 -15.864 1.543 1.00 0.00 C ATOM 853 CD GLU A 56 -26.104 -14.598 1.701 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.574 -14.332 2.827 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.278 -13.875 0.698 1.00 0.00 O ATOM 0 H GLU A 56 -24.377 -13.394 0.908 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.990 -14.809 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.466 -16.751 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.011 -15.386 3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.175 -16.091 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.821 -16.698 1.994 1.00 0.00 H new ATOM 862 N GLU A 57 -23.123 -14.625 -0.993 1.00 0.00 N ATOM 863 CA GLU A 57 -22.956 -15.036 -2.382 1.00 0.00 C ATOM 864 C GLU A 57 -21.619 -14.545 -2.932 1.00 0.00 C ATOM 865 O GLU A 57 -21.190 -13.429 -2.637 1.00 0.00 O ATOM 866 CB GLU A 57 -24.105 -14.496 -3.237 1.00 0.00 C ATOM 867 CG GLU A 57 -24.067 -14.969 -4.682 1.00 0.00 C ATOM 868 CD GLU A 57 -24.188 -16.475 -4.805 1.00 0.00 C ATOM 869 OE1 GLU A 57 -23.145 -17.160 -4.769 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.328 -16.969 -4.937 1.00 0.00 O ATOM 0 H GLU A 57 -23.579 -13.721 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.968 -16.125 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.052 -14.798 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.078 -13.406 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.878 -14.496 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.134 -14.644 -5.142 1.00 0.00 H new ATOM 877 N ASN A 58 -20.967 -15.385 -3.728 1.00 0.00 N ATOM 878 CA ASN A 58 -19.676 -15.035 -4.312 1.00 0.00 C ATOM 879 C ASN A 58 -19.851 -14.391 -5.684 1.00 0.00 C ATOM 880 O ASN A 58 -20.358 -15.018 -6.615 1.00 0.00 O ATOM 881 CB ASN A 58 -18.790 -16.277 -4.429 1.00 0.00 C ATOM 882 CG ASN A 58 -18.594 -16.974 -3.097 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.659 -16.671 -2.356 1.00 0.00 O ATOM 884 ND2 ASN A 58 -19.478 -17.915 -2.788 1.00 0.00 N ATOM 0 H ASN A 58 -21.310 -16.311 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.194 -14.313 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.237 -16.974 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.819 -15.991 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.398 -18.420 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.237 -18.133 -3.433 1.00 0.00 H new ATOM 891 N LYS A 59 -19.428 -13.137 -5.800 1.00 0.00 N ATOM 892 CA LYS A 59 -19.532 -12.408 -7.059 1.00 0.00 C ATOM 893 C LYS A 59 -18.166 -12.282 -7.722 1.00 0.00 C ATOM 894 O LYS A 59 -17.171 -11.984 -7.066 1.00 0.00 O ATOM 895 CB LYS A 59 -20.130 -11.020 -6.823 1.00 0.00 C ATOM 896 CG LYS A 59 -21.522 -11.055 -6.214 1.00 0.00 C ATOM 897 CD LYS A 59 -22.079 -9.654 -6.010 1.00 0.00 C ATOM 898 CE LYS A 59 -22.400 -8.982 -7.336 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.414 -9.746 -8.113 1.00 0.00 N ATOM 0 H LYS A 59 -19.010 -12.604 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.190 -12.967 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.469 -10.455 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.170 -10.484 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.190 -11.622 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.488 -11.577 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.981 -9.705 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.356 -9.051 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.768 -7.973 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.488 -8.886 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.829 -9.131 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.959 -10.563 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.163 -10.079 -7.473 1.00 0.00 H new ATOM 913 N LEU A 60 -18.128 -12.511 -9.029 1.00 0.00 N ATOM 914 CA LEU A 60 -16.883 -12.425 -9.783 1.00 0.00 C ATOM 915 C LEU A 60 -16.426 -10.976 -9.928 1.00 0.00 C ATOM 916 O LEU A 60 -15.320 -10.710 -10.398 1.00 0.00 O ATOM 917 CB LEU A 60 -17.061 -13.065 -11.163 1.00 0.00 C ATOM 918 CG LEU A 60 -17.409 -14.556 -11.143 1.00 0.00 C ATOM 919 CD1 LEU A 60 -17.684 -15.061 -12.550 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.286 -15.358 -10.500 1.00 0.00 C ATOM 0 H LEU A 60 -18.944 -12.758 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.113 -12.967 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.847 -12.531 -11.696 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.141 -12.929 -11.732 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.313 -14.688 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -17.929 -16.122 -12.514 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.521 -14.509 -12.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.799 -14.914 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.551 -16.415 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.367 -15.217 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.135 -15.016 -9.476 1.00 0.00 H new ATOM 932 N ILE A 61 -17.282 -10.043 -9.519 1.00 0.00 N ATOM 933 CA ILE A 61 -16.972 -8.619 -9.608 1.00 0.00 C ATOM 934 C ILE A 61 -15.794 -8.240 -8.705 1.00 0.00 C ATOM 935 O ILE A 61 -15.266 -7.131 -8.792 1.00 0.00 O ATOM 936 CB ILE A 61 -18.200 -7.756 -9.233 1.00 0.00 C ATOM 937 CG1 ILE A 61 -17.978 -6.295 -9.633 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.489 -7.861 -7.742 1.00 0.00 C ATOM 939 CD1 ILE A 61 -17.927 -6.075 -11.131 1.00 0.00 C ATOM 0 H ILE A 61 -18.199 -10.249 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.697 -8.422 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.063 -8.133 -9.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -18.779 -5.687 -9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.045 -5.944 -9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.356 -7.248 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -18.694 -8.900 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -17.624 -7.511 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.767 -5.017 -11.338 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.108 -6.656 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.869 -6.394 -11.578 1.00 0.00 H new ATOM 951 N TYR A 62 -15.375 -9.167 -7.849 1.00 0.00 N ATOM 952 CA TYR A 62 -14.262 -8.911 -6.937 1.00 0.00 C ATOM 953 C TYR A 62 -12.940 -8.767 -7.689 1.00 0.00 C ATOM 954 O TYR A 62 -12.055 -8.026 -7.260 1.00 0.00 O ATOM 955 CB TYR A 62 -14.147 -10.029 -5.896 1.00 0.00 C ATOM 956 CG TYR A 62 -15.296 -10.080 -4.909 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.846 -8.914 -4.386 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.829 -11.296 -4.502 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.894 -8.961 -3.485 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.878 -11.351 -3.602 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.405 -10.182 -3.097 1.00 0.00 C ATOM 962 OH TYR A 62 -18.449 -10.234 -2.201 1.00 0.00 O ATOM 0 H TYR A 62 -15.785 -10.097 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.470 -7.969 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.084 -10.986 -6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.215 -9.903 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.448 -7.957 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.418 -12.214 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.310 -8.047 -3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.282 -12.305 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.691 -11.169 -2.034 1.00 0.00 H new ATOM 972 N THR A 63 -12.807 -9.473 -8.810 1.00 0.00 N ATOM 973 CA THR A 63 -11.576 -9.417 -9.597 1.00 0.00 C ATOM 974 C THR A 63 -11.438 -8.089 -10.352 1.00 0.00 C ATOM 975 O THR A 63 -10.404 -7.428 -10.243 1.00 0.00 O ATOM 976 CB THR A 63 -11.477 -10.592 -10.593 1.00 0.00 C ATOM 977 OG1 THR A 63 -11.587 -11.837 -9.894 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.158 -10.548 -11.351 1.00 0.00 C ATOM 0 H THR A 63 -13.528 -10.085 -9.191 1.00 0.00 H new ATOM 0 HA THR A 63 -10.756 -9.496 -8.883 1.00 0.00 H new ATOM 0 HB THR A 63 -12.294 -10.503 -11.309 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.525 -12.577 -10.533 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.110 -11.385 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.087 -9.612 -11.904 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.330 -10.615 -10.645 1.00 0.00 H new ATOM 986 N PRO A 64 -12.463 -7.670 -11.130 1.00 0.00 N ATOM 987 CA PRO A 64 -12.410 -6.407 -11.877 1.00 0.00 C ATOM 988 C PRO A 64 -12.142 -5.215 -10.967 1.00 0.00 C ATOM 989 O PRO A 64 -11.274 -4.388 -11.249 1.00 0.00 O ATOM 990 CB PRO A 64 -13.801 -6.291 -12.505 1.00 0.00 C ATOM 991 CG PRO A 64 -14.316 -7.686 -12.553 1.00 0.00 C ATOM 992 CD PRO A 64 -13.737 -8.379 -11.352 1.00 0.00 C ATOM 0 HA PRO A 64 -11.602 -6.405 -12.608 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.451 -5.650 -11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.749 -5.854 -13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.406 -7.702 -12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.013 -8.183 -13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.396 -8.302 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.579 -9.441 -11.538 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.892 -5.133 -9.871 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.730 -4.041 -8.919 1.00 0.00 C ATOM 1002 C ILE A 65 -11.320 -4.032 -8.341 1.00 0.00 C ATOM 1003 O ILE A 65 -10.709 -2.974 -8.185 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.751 -4.139 -7.767 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.180 -4.093 -8.318 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.526 -3.015 -6.764 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.243 -4.328 -7.266 1.00 0.00 C ATOM 0 H ILE A 65 -13.615 -5.808 -9.622 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.905 -3.113 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.610 -5.091 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.350 -3.122 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.283 -4.844 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.254 -3.097 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.519 -3.090 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.644 -2.053 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.229 -4.281 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.099 -5.311 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.167 -3.562 -6.495 1.00 0.00 H new ATOM 1019 N PHE A 66 -10.808 -5.218 -8.021 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.468 -5.347 -7.462 1.00 0.00 C ATOM 1021 C PHE A 66 -8.426 -4.792 -8.428 1.00 0.00 C ATOM 1022 O PHE A 66 -7.489 -4.107 -8.019 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.162 -6.814 -7.146 1.00 0.00 C ATOM 1024 CG PHE A 66 -7.783 -7.041 -6.594 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -7.505 -6.785 -5.260 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -6.764 -7.510 -7.408 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.238 -6.995 -4.750 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.495 -7.721 -6.903 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.231 -7.462 -5.572 1.00 0.00 C ATOM 0 H PHE A 66 -11.302 -6.102 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.426 -4.771 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.895 -7.182 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.281 -7.404 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.287 -6.417 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.964 -7.713 -8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.035 -6.794 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.711 -8.088 -7.548 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.240 -7.624 -5.175 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.598 -5.091 -9.713 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.674 -4.621 -10.737 1.00 0.00 C ATOM 1041 C ASN A 67 -7.624 -3.098 -10.765 1.00 0.00 C ATOM 1042 O ASN A 67 -6.558 -2.504 -10.932 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.083 -5.156 -12.111 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.138 -6.671 -12.147 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.394 -7.348 -11.437 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.022 -7.211 -12.977 1.00 0.00 N ATOM 0 H ASN A 67 -9.369 -5.657 -10.068 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.680 -4.995 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.060 -4.753 -12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.375 -4.803 -12.861 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.105 -8.225 -13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.619 -6.612 -13.547 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.785 -2.470 -10.601 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.873 -1.015 -10.600 1.00 0.00 C ATOM 1055 C GLU A 68 -8.127 -0.432 -9.405 1.00 0.00 C ATOM 1056 O GLU A 68 -7.559 0.656 -9.484 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.337 -0.572 -10.569 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.520 0.934 -10.644 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.984 1.522 -11.936 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.737 1.551 -12.932 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.812 1.953 -11.950 1.00 0.00 O ATOM 0 H GLU A 68 -9.677 -2.947 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.410 -0.644 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.866 -1.035 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.800 -0.940 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.580 1.173 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.014 1.401 -9.799 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.137 -1.167 -8.298 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.459 -0.734 -7.081 1.00 0.00 C ATOM 1070 C TYR A 69 -5.949 -0.715 -7.287 1.00 0.00 C ATOM 1071 O TYR A 69 -5.248 0.155 -6.771 1.00 0.00 O ATOM 1072 CB TYR A 69 -7.811 -1.668 -5.923 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.385 -1.147 -4.570 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.189 -0.263 -3.863 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.184 -1.544 -3.998 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.806 0.215 -2.625 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.793 -1.071 -2.760 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.607 -0.192 -2.077 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.223 0.281 -0.843 1.00 0.00 O ATOM 0 H TYR A 69 -8.609 -2.068 -8.218 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.793 0.276 -6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.888 -1.833 -5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.341 -2.637 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.129 0.056 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.545 -2.234 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.442 0.904 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.855 -1.388 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.355 -0.103 -0.601 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.460 -1.687 -8.047 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.036 -1.803 -8.332 1.00 0.00 C ATOM 1091 C ILE A 70 -3.581 -0.743 -9.333 1.00 0.00 C ATOM 1092 O ILE A 70 -2.427 -0.312 -9.317 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.698 -3.198 -8.887 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.241 -4.287 -7.952 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.195 -3.347 -9.082 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.616 -4.282 -6.572 1.00 0.00 C ATOM 0 H ILE A 70 -6.034 -2.411 -8.480 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.508 -1.651 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.176 -3.312 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.319 -4.161 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.075 -5.262 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.976 -4.340 -9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.843 -2.592 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.689 -3.216 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.053 -5.080 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.541 -4.440 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.804 -3.322 -6.091 1.00 0.00 H new ATOM 1108 N SER A 71 -4.490 -0.331 -10.208 1.00 0.00 N ATOM 1109 CA SER A 71 -4.176 0.671 -11.217 1.00 0.00 C ATOM 1110 C SER A 71 -4.348 2.085 -10.670 1.00 0.00 C ATOM 1111 O SER A 71 -3.697 3.019 -11.135 1.00 0.00 O ATOM 1112 CB SER A 71 -5.065 0.478 -12.445 1.00 0.00 C ATOM 1113 OG SER A 71 -4.849 -0.791 -13.037 1.00 0.00 O ATOM 0 H SER A 71 -5.450 -0.675 -10.239 1.00 0.00 H new ATOM 0 HA SER A 71 -3.132 0.542 -11.501 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.112 0.576 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.859 1.262 -13.173 1.00 0.00 H new ATOM 0 HG SER A 71 -5.311 -1.479 -12.514 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.244 2.243 -9.703 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.492 3.552 -9.110 1.00 0.00 C ATOM 1121 C LEU A 72 -4.598 3.808 -7.896 1.00 0.00 C ATOM 1122 O LEU A 72 -3.767 4.717 -7.905 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.970 3.672 -8.714 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.469 5.088 -8.375 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.979 5.529 -7.003 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.036 6.085 -9.443 1.00 0.00 C ATOM 0 H LEU A 72 -5.808 1.487 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.251 4.308 -9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.577 3.281 -9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.147 3.030 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.558 5.060 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.347 6.533 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.350 4.839 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.889 5.532 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.400 7.079 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.948 6.102 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.450 5.788 -10.407 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.772 2.995 -6.856 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.011 3.151 -5.615 1.00 0.00 C ATOM 1140 C VAL A 73 -2.560 2.686 -5.738 1.00 0.00 C ATOM 1141 O VAL A 73 -1.632 3.480 -5.578 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.683 2.385 -4.460 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.971 2.658 -3.144 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.156 2.758 -4.367 1.00 0.00 C ATOM 0 H VAL A 73 -5.434 2.219 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.003 4.221 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.610 1.317 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.463 2.107 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.932 2.338 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.007 3.725 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.619 2.210 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.249 3.829 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.656 2.503 -5.302 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.372 1.400 -6.022 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.033 0.826 -6.140 1.00 0.00 C ATOM 1156 C GLU A 74 -0.176 1.593 -7.144 1.00 0.00 C ATOM 1157 O GLU A 74 1.041 1.690 -6.983 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.123 -0.651 -6.537 1.00 0.00 C ATOM 1159 CG GLU A 74 0.222 -1.286 -6.855 1.00 0.00 C ATOM 1160 CD GLU A 74 1.142 -1.342 -5.651 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.790 -0.318 -5.350 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.213 -2.411 -5.009 1.00 0.00 O ATOM 0 H GLU A 74 -3.130 0.735 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.551 0.906 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.594 -1.207 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.773 -0.744 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.062 -2.296 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.707 -0.721 -7.651 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.809 2.139 -8.175 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.088 2.892 -9.193 1.00 0.00 C ATOM 1171 C LYS A 75 0.306 4.270 -8.674 1.00 0.00 C ATOM 1172 O LYS A 75 1.407 4.749 -8.940 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.935 3.032 -10.455 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.155 3.518 -11.666 1.00 0.00 C ATOM 1175 CD LYS A 75 -1.077 3.824 -12.835 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.293 4.252 -14.067 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.560 5.443 -13.799 1.00 0.00 N ATOM 0 H LYS A 75 -1.815 2.075 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 75 0.821 2.342 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.386 2.067 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.752 3.726 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.409 4.413 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.570 2.760 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.673 2.942 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.774 4.614 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.333 3.426 -14.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.986 4.477 -14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.528 6.084 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.208 5.940 -12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.541 5.138 -13.636 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.600 4.908 -7.935 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.337 6.233 -7.381 1.00 0.00 C ATOM 1193 C TYR A 76 0.917 6.223 -6.509 1.00 0.00 C ATOM 1194 O TYR A 76 1.752 7.121 -6.600 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.538 6.717 -6.566 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.367 8.109 -5.998 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.526 9.232 -6.800 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.046 8.299 -4.658 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.370 10.504 -6.285 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.890 9.570 -4.136 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.053 10.668 -4.953 1.00 0.00 C ATOM 1202 OH TYR A 76 -0.897 11.934 -4.437 1.00 0.00 O ATOM 0 H TYR A 76 -1.519 4.530 -7.707 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.172 6.919 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.426 6.699 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.715 6.019 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.776 9.108 -7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.917 7.441 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.496 11.366 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.642 9.702 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.256 12.591 -5.069 1.00 0.00 H new ATOM 1212 N ILE A 77 1.042 5.202 -5.668 1.00 0.00 N ATOM 1213 CA ILE A 77 2.194 5.081 -4.780 1.00 0.00 C ATOM 1214 C ILE A 77 3.469 4.781 -5.564 1.00 0.00 C ATOM 1215 O ILE A 77 4.506 5.405 -5.341 1.00 0.00 O ATOM 1216 CB ILE A 77 1.986 3.971 -3.727 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.689 4.211 -2.949 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.177 3.909 -2.779 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.347 3.095 -1.983 1.00 0.00 C ATOM 0 H ILE A 77 0.361 4.447 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 77 2.296 6.040 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 77 1.906 3.013 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.775 5.146 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.132 4.333 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.015 3.122 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.083 3.695 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.286 4.866 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.583 3.333 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.229 2.161 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.149 2.987 -1.253 1.00 0.00 H new ATOM 1231 N GLU A 78 3.382 3.826 -6.484 1.00 0.00 N ATOM 1232 CA GLU A 78 4.532 3.431 -7.293 1.00 0.00 C ATOM 1233 C GLU A 78 5.101 4.614 -8.074 1.00 0.00 C ATOM 1234 O GLU A 78 6.308 4.840 -8.081 1.00 0.00 O ATOM 1235 CB GLU A 78 4.137 2.309 -8.256 1.00 0.00 C ATOM 1236 CG GLU A 78 5.319 1.673 -8.973 1.00 0.00 C ATOM 1237 CD GLU A 78 4.913 0.481 -9.819 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.834 -0.638 -9.268 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.677 0.665 -11.032 1.00 0.00 O ATOM 0 H GLU A 78 2.526 3.310 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 78 5.308 3.072 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.602 1.538 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.444 2.706 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.799 2.418 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.059 1.357 -8.237 1.00 0.00 H new ATOM 1246 N GLU A 79 4.227 5.370 -8.726 1.00 0.00 N ATOM 1247 CA GLU A 79 4.649 6.521 -9.522 1.00 0.00 C ATOM 1248 C GLU A 79 5.325 7.592 -8.668 1.00 0.00 C ATOM 1249 O GLU A 79 6.444 8.015 -8.962 1.00 0.00 O ATOM 1250 CB GLU A 79 3.448 7.127 -10.248 1.00 0.00 C ATOM 1251 CG GLU A 79 2.854 6.216 -11.310 1.00 0.00 C ATOM 1252 CD GLU A 79 3.825 5.922 -12.436 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.583 4.936 -12.324 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.826 6.678 -13.430 1.00 0.00 O ATOM 0 H GLU A 79 3.220 5.209 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 79 5.379 6.163 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.677 7.369 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.751 8.065 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.545 5.278 -10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.957 6.680 -11.721 1.00 0.00 H new ATOM 1261 N GLN A 80 4.646 8.021 -7.609 1.00 0.00 N ATOM 1262 CA GLN A 80 5.168 9.064 -6.729 1.00 0.00 C ATOM 1263 C GLN A 80 6.517 8.682 -6.119 1.00 0.00 C ATOM 1264 O GLN A 80 7.333 9.553 -5.814 1.00 0.00 O ATOM 1265 CB GLN A 80 4.166 9.367 -5.613 1.00 0.00 C ATOM 1266 CG GLN A 80 2.858 9.961 -6.110 1.00 0.00 C ATOM 1267 CD GLN A 80 3.052 11.292 -6.811 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.015 12.349 -6.182 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.257 11.247 -8.122 1.00 0.00 N ATOM 0 H GLN A 80 3.731 7.662 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 80 5.319 9.954 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.953 8.447 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.623 10.058 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.382 9.260 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.180 10.094 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.280 10.348 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.391 12.111 -8.647 1.00 0.00 H new ATOM 1278 N LEU A 81 6.750 7.386 -5.943 1.00 0.00 N ATOM 1279 CA LEU A 81 8.000 6.914 -5.355 1.00 0.00 C ATOM 1280 C LEU A 81 9.131 6.923 -6.376 1.00 0.00 C ATOM 1281 O LEU A 81 10.274 7.252 -6.054 1.00 0.00 O ATOM 1282 CB LEU A 81 7.824 5.504 -4.787 1.00 0.00 C ATOM 1283 CG LEU A 81 6.983 5.417 -3.511 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.782 3.964 -3.106 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.640 6.199 -2.382 1.00 0.00 C ATOM 0 H LEU A 81 6.095 6.647 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 81 8.264 7.596 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.364 4.877 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.810 5.086 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 81 6.007 5.859 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.182 3.919 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.269 3.431 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.751 3.500 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.027 6.125 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.629 5.787 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.735 7.246 -2.671 1.00 0.00 H new ATOM 1297 N LEU A 82 8.800 6.563 -7.607 1.00 0.00 N ATOM 1298 CA LEU A 82 9.782 6.501 -8.682 1.00 0.00 C ATOM 1299 C LEU A 82 10.253 7.891 -9.086 1.00 0.00 C ATOM 1300 O LEU A 82 11.340 8.048 -9.644 1.00 0.00 O ATOM 1301 CB LEU A 82 9.191 5.771 -9.890 1.00 0.00 C ATOM 1302 CG LEU A 82 8.913 4.266 -9.708 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.865 3.447 -10.563 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.031 3.836 -8.251 1.00 0.00 C ATOM 0 H LEU A 82 7.853 6.308 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 82 10.648 5.949 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.256 6.261 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.873 5.894 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 82 7.887 4.086 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.657 2.386 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.729 3.709 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.893 3.657 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.827 2.768 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.039 4.042 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.311 4.390 -7.649 1.00 0.00 H new ATOM 1316 N GLN A 83 9.430 8.896 -8.810 1.00 0.00 N ATOM 1317 CA GLN A 83 9.773 10.272 -9.140 1.00 0.00 C ATOM 1318 C GLN A 83 11.094 10.675 -8.490 1.00 0.00 C ATOM 1319 O GLN A 83 11.726 11.648 -8.900 1.00 0.00 O ATOM 1320 CB GLN A 83 8.659 11.219 -8.692 1.00 0.00 C ATOM 1321 CG GLN A 83 7.367 11.043 -9.470 1.00 0.00 C ATOM 1322 CD GLN A 83 7.515 11.408 -10.934 1.00 0.00 C ATOM 1323 OE1 GLN A 83 7.306 12.556 -11.325 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.879 10.427 -11.753 1.00 0.00 N ATOM 0 H GLN A 83 8.522 8.783 -8.359 1.00 0.00 H new ATOM 0 HA GLN A 83 9.886 10.343 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.461 11.059 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.002 12.248 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.036 10.008 -9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.590 11.662 -9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.042 9.490 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.996 10.611 -12.749 1.00 0.00 H new ATOM 1333 N ARG A 84 11.506 9.917 -7.476 1.00 0.00 N ATOM 1334 CA ARG A 84 12.748 10.199 -6.768 1.00 0.00 C ATOM 1335 C ARG A 84 13.680 8.989 -6.785 1.00 0.00 C ATOM 1336 O ARG A 84 14.844 9.088 -6.396 1.00 0.00 O ATOM 1337 CB ARG A 84 12.449 10.612 -5.327 1.00 0.00 C ATOM 1338 CG ARG A 84 11.524 11.814 -5.226 1.00 0.00 C ATOM 1339 CD ARG A 84 11.177 12.136 -3.782 1.00 0.00 C ATOM 1340 NE ARG A 84 10.237 13.248 -3.683 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.443 13.454 -2.636 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.481 12.628 -1.598 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.610 14.485 -2.628 1.00 0.00 N ATOM 0 H ARG A 84 10.997 9.104 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 84 13.250 11.020 -7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.998 9.770 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.386 10.840 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.000 12.679 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.609 11.617 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.747 11.254 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.088 12.381 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 84 10.186 13.905 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.120 11.833 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.871 12.788 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.578 15.121 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.001 14.643 -1.825 1.00 0.00 H new ATOM 1357 N ILE A 85 13.164 7.850 -7.240 1.00 0.00 N ATOM 1358 CA ILE A 85 13.955 6.624 -7.308 1.00 0.00 C ATOM 1359 C ILE A 85 13.707 5.882 -8.624 1.00 0.00 C ATOM 1360 O ILE A 85 12.815 5.037 -8.705 1.00 0.00 O ATOM 1361 CB ILE A 85 13.634 5.678 -6.129 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.678 6.440 -4.800 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.611 4.512 -6.108 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.190 5.632 -3.616 1.00 0.00 C ATOM 0 H ILE A 85 12.203 7.750 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 85 15.002 6.920 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 85 12.626 5.285 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.702 6.763 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.071 7.341 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.374 3.853 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.534 3.956 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.627 4.890 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.251 6.238 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.156 5.331 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.812 4.744 -3.500 1.00 0.00 H new ATOM 1376 N PRO A 86 14.487 6.196 -9.678 1.00 0.00 N ATOM 1377 CA PRO A 86 14.340 5.555 -10.991 1.00 0.00 C ATOM 1378 C PRO A 86 14.774 4.094 -10.983 1.00 0.00 C ATOM 1379 O PRO A 86 14.568 3.369 -11.956 1.00 0.00 O ATOM 1380 CB PRO A 86 15.255 6.378 -11.913 1.00 0.00 C ATOM 1381 CG PRO A 86 15.624 7.596 -11.132 1.00 0.00 C ATOM 1382 CD PRO A 86 15.561 7.198 -9.686 1.00 0.00 C ATOM 0 HA PRO A 86 13.298 5.541 -11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.141 5.809 -12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.742 6.646 -12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.623 7.942 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.937 8.416 -11.341 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.507 6.782 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.330 8.046 -9.041 1.00 0.00 H new ATOM 1390 N GLU A 87 15.377 3.672 -9.880 1.00 0.00 N ATOM 1391 CA GLU A 87 15.844 2.296 -9.738 1.00 0.00 C ATOM 1392 C GLU A 87 15.029 1.558 -8.681 1.00 0.00 C ATOM 1393 O GLU A 87 15.437 0.508 -8.185 1.00 0.00 O ATOM 1394 CB GLU A 87 17.327 2.276 -9.362 1.00 0.00 C ATOM 1395 CG GLU A 87 18.226 2.937 -10.395 1.00 0.00 C ATOM 1396 CD GLU A 87 18.159 2.256 -11.748 1.00 0.00 C ATOM 1397 OE1 GLU A 87 17.300 2.648 -12.567 1.00 0.00 O ATOM 1398 OE2 GLU A 87 18.962 1.332 -11.989 1.00 0.00 O ATOM 0 H GLU A 87 15.555 4.263 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 87 15.713 1.790 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.457 2.779 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.644 1.242 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.939 3.983 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.255 2.924 -10.037 1.00 0.00 H new ATOM 1405 N PHE A 88 13.872 2.117 -8.348 1.00 0.00 N ATOM 1406 CA PHE A 88 12.991 1.530 -7.346 1.00 0.00 C ATOM 1407 C PHE A 88 12.426 0.191 -7.810 1.00 0.00 C ATOM 1408 O PHE A 88 12.211 -0.028 -9.003 1.00 0.00 O ATOM 1409 CB PHE A 88 11.841 2.487 -7.039 1.00 0.00 C ATOM 1410 CG PHE A 88 11.076 2.132 -5.795 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.566 2.469 -4.544 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.866 1.463 -5.879 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.863 2.145 -3.399 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.159 1.136 -4.737 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.658 1.477 -3.496 1.00 0.00 C ATOM 0 H PHE A 88 13.520 2.981 -8.760 1.00 0.00 H new ATOM 0 HA PHE A 88 13.582 1.357 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.238 3.497 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.155 2.500 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.508 2.991 -4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.471 1.194 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.255 2.414 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.217 0.614 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.107 1.222 -2.603 1.00 0.00 H new ATOM 1425 N ASN A 89 12.190 -0.702 -6.853 1.00 0.00 N ATOM 1426 CA ASN A 89 11.635 -2.019 -7.144 1.00 0.00 C ATOM 1427 C ASN A 89 10.542 -2.359 -6.133 1.00 0.00 C ATOM 1428 O ASN A 89 10.804 -2.980 -5.102 1.00 0.00 O ATOM 1429 CB ASN A 89 12.737 -3.080 -7.117 1.00 0.00 C ATOM 1430 CG ASN A 89 12.304 -4.385 -7.756 1.00 0.00 C ATOM 1431 OD1 ASN A 89 11.837 -5.297 -7.076 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.457 -4.478 -9.071 1.00 0.00 N ATOM 0 H ASN A 89 12.376 -0.535 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 89 11.198 -2.004 -8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.616 -2.699 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.033 -3.266 -6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.183 -5.332 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.849 -3.696 -9.595 1.00 0.00 H new ATOM 1439 N MET A 90 9.319 -1.934 -6.436 1.00 0.00 N ATOM 1440 CA MET A 90 8.177 -2.166 -5.555 1.00 0.00 C ATOM 1441 C MET A 90 7.921 -3.657 -5.346 1.00 0.00 C ATOM 1442 O MET A 90 7.368 -4.060 -4.325 1.00 0.00 O ATOM 1443 CB MET A 90 6.925 -1.499 -6.130 1.00 0.00 C ATOM 1444 CG MET A 90 5.763 -1.422 -5.150 1.00 0.00 C ATOM 1445 SD MET A 90 6.156 -0.454 -3.680 1.00 0.00 S ATOM 1446 CE MET A 90 4.536 -0.297 -2.931 1.00 0.00 C ATOM 0 H MET A 90 9.092 -1.424 -7.290 1.00 0.00 H new ATOM 0 HA MET A 90 8.412 -1.726 -4.586 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.180 -0.491 -6.457 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.606 -2.050 -7.015 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.900 -0.982 -5.650 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.478 -2.431 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.645 -0.015 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.965 0.470 -3.455 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.010 -1.250 -2.998 1.00 0.00 H new ATOM 1456 N ALA A 91 8.327 -4.471 -6.315 1.00 0.00 N ATOM 1457 CA ALA A 91 8.132 -5.915 -6.227 1.00 0.00 C ATOM 1458 C ALA A 91 8.886 -6.504 -5.039 1.00 0.00 C ATOM 1459 O ALA A 91 8.299 -7.169 -4.182 1.00 0.00 O ATOM 1460 CB ALA A 91 8.573 -6.586 -7.519 1.00 0.00 C ATOM 0 H ALA A 91 8.791 -4.158 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 91 7.069 -6.103 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.422 -7.663 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.984 -6.197 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.629 -6.379 -7.694 1.00 0.00 H new ATOM 1466 N ALA A 92 10.189 -6.253 -4.992 1.00 0.00 N ATOM 1467 CA ALA A 92 11.031 -6.760 -3.916 1.00 0.00 C ATOM 1468 C ALA A 92 10.780 -6.006 -2.615 1.00 0.00 C ATOM 1469 O ALA A 92 10.955 -6.553 -1.525 1.00 0.00 O ATOM 1470 CB ALA A 92 12.499 -6.661 -4.307 1.00 0.00 C ATOM 0 H ALA A 92 10.687 -5.699 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 92 10.775 -7.807 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.118 -7.043 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.676 -7.250 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.755 -5.619 -4.499 1.00 0.00 H new ATOM 1476 N PHE A 93 10.363 -4.750 -2.734 1.00 0.00 N ATOM 1477 CA PHE A 93 10.095 -3.920 -1.566 1.00 0.00 C ATOM 1478 C PHE A 93 8.854 -4.400 -0.817 1.00 0.00 C ATOM 1479 O PHE A 93 8.846 -4.454 0.413 1.00 0.00 O ATOM 1480 CB PHE A 93 9.920 -2.456 -1.982 1.00 0.00 C ATOM 1481 CG PHE A 93 9.509 -1.558 -0.850 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.407 -1.227 0.152 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.222 -1.049 -0.785 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.028 -0.407 1.197 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.838 -0.227 0.257 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.742 0.094 1.250 1.00 0.00 C ATOM 0 H PHE A 93 10.203 -4.285 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 93 10.951 -4.003 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.857 -2.091 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.171 -2.398 -2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.414 -1.614 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.510 -1.298 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.737 -0.158 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.832 0.164 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.444 0.735 2.066 1.00 0.00 H new ATOM 1496 N THR A 94 7.810 -4.749 -1.562 1.00 0.00 N ATOM 1497 CA THR A 94 6.565 -5.213 -0.960 1.00 0.00 C ATOM 1498 C THR A 94 6.726 -6.585 -0.317 1.00 0.00 C ATOM 1499 O THR A 94 6.356 -6.780 0.842 1.00 0.00 O ATOM 1500 CB THR A 94 5.426 -5.272 -1.994 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.842 -6.021 -3.141 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.006 -3.872 -2.415 1.00 0.00 C ATOM 0 H THR A 94 7.801 -4.719 -2.582 1.00 0.00 H new ATOM 0 HA THR A 94 6.309 -4.489 -0.187 1.00 0.00 H new ATOM 0 HB THR A 94 4.571 -5.766 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.377 -5.448 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.200 -3.938 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.660 -3.318 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.857 -3.355 -2.859 1.00 0.00 H new ATOM 1510 N THR A 95 7.277 -7.536 -1.067 1.00 0.00 N ATOM 1511 CA THR A 95 7.476 -8.887 -0.554 1.00 0.00 C ATOM 1512 C THR A 95 8.302 -8.870 0.729 1.00 0.00 C ATOM 1513 O THR A 95 8.056 -9.651 1.648 1.00 0.00 O ATOM 1514 CB THR A 95 8.162 -9.797 -1.588 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.311 -11.119 -1.058 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.522 -9.245 -1.973 1.00 0.00 C ATOM 0 H THR A 95 7.592 -7.397 -2.027 1.00 0.00 H new ATOM 0 HA THR A 95 6.486 -9.290 -0.341 1.00 0.00 H new ATOM 0 HB THR A 95 7.535 -9.833 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.747 -11.691 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.988 -9.904 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.402 -8.251 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.153 -9.182 -1.087 1.00 0.00 H new ATOM 1524 N THR A 96 9.283 -7.974 0.784 1.00 0.00 N ATOM 1525 CA THR A 96 10.143 -7.852 1.955 1.00 0.00 C ATOM 1526 C THR A 96 9.426 -7.122 3.088 1.00 0.00 C ATOM 1527 O THR A 96 9.647 -7.413 4.262 1.00 0.00 O ATOM 1528 CB THR A 96 11.448 -7.108 1.617 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.132 -7.781 0.553 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.360 -7.025 2.834 1.00 0.00 C ATOM 0 H THR A 96 9.502 -7.322 0.031 1.00 0.00 H new ATOM 0 HA THR A 96 10.387 -8.864 2.278 1.00 0.00 H new ATOM 0 HB THR A 96 11.190 -6.096 1.306 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.724 -7.538 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.274 -6.495 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.850 -6.490 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.609 -8.031 3.171 1.00 0.00 H new ATOM 1538 N LEU A 97 8.565 -6.176 2.724 1.00 0.00 N ATOM 1539 CA LEU A 97 7.815 -5.397 3.706 1.00 0.00 C ATOM 1540 C LEU A 97 6.862 -6.283 4.503 1.00 0.00 C ATOM 1541 O LEU A 97 6.654 -6.067 5.697 1.00 0.00 O ATOM 1542 CB LEU A 97 7.025 -4.282 3.011 1.00 0.00 C ATOM 1543 CG LEU A 97 6.991 -2.942 3.753 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.231 -1.907 2.940 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.361 -3.100 5.130 1.00 0.00 C ATOM 0 H LEU A 97 8.369 -5.929 1.754 1.00 0.00 H new ATOM 0 HA LEU A 97 8.532 -4.954 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.452 -4.120 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.000 -4.623 2.864 1.00 0.00 H new ATOM 0 HG LEU A 97 8.017 -2.600 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.215 -0.960 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.723 -1.768 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.209 -2.250 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.348 -2.135 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.340 -3.467 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.943 -3.811 5.717 1.00 0.00 H new ATOM 1557 N GLN A 98 6.285 -7.278 3.834 1.00 0.00 N ATOM 1558 CA GLN A 98 5.336 -8.189 4.473 1.00 0.00 C ATOM 1559 C GLN A 98 5.889 -8.760 5.775 1.00 0.00 C ATOM 1560 O GLN A 98 5.148 -8.939 6.742 1.00 0.00 O ATOM 1561 CB GLN A 98 4.969 -9.328 3.520 1.00 0.00 C ATOM 1562 CG GLN A 98 4.240 -8.867 2.268 1.00 0.00 C ATOM 1563 CD GLN A 98 3.866 -10.018 1.356 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.636 -10.407 0.478 1.00 0.00 O ATOM 1565 NE2 GLN A 98 2.677 -10.570 1.559 1.00 0.00 N ATOM 0 H GLN A 98 6.458 -7.475 2.848 1.00 0.00 H new ATOM 0 HA GLN A 98 4.441 -7.614 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.879 -9.852 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.343 -10.046 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.338 -8.327 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.871 -8.165 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.070 -10.216 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.370 -11.348 0.976 1.00 0.00 H new ATOM 1574 N HIS A 99 7.184 -9.050 5.800 1.00 0.00 N ATOM 1575 CA HIS A 99 7.812 -9.596 6.998 1.00 0.00 C ATOM 1576 C HIS A 99 8.585 -8.514 7.746 1.00 0.00 C ATOM 1577 O HIS A 99 8.732 -8.573 8.969 1.00 0.00 O ATOM 1578 CB HIS A 99 8.744 -10.755 6.636 1.00 0.00 C ATOM 1579 CG HIS A 99 9.883 -10.365 5.747 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.042 -9.789 6.219 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.041 -10.481 4.407 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.864 -9.567 5.210 1.00 0.00 C ATOM 1583 NE2 HIS A 99 11.281 -9.979 4.099 1.00 0.00 N ATOM 0 H HIS A 99 7.817 -8.918 5.011 1.00 0.00 H new ATOM 0 HA HIS A 99 7.024 -9.971 7.651 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.144 -11.186 7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.163 -11.535 6.144 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.235 -9.568 7.196 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.325 -10.892 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.846 -9.124 5.281 1.00 0.00 H new ATOM 1592 N HIS A 100 9.062 -7.518 7.008 1.00 0.00 N ATOM 1593 CA HIS A 100 9.822 -6.425 7.602 1.00 0.00 C ATOM 1594 C HIS A 100 8.913 -5.536 8.441 1.00 0.00 C ATOM 1595 O HIS A 100 9.378 -4.630 9.133 1.00 0.00 O ATOM 1596 CB HIS A 100 10.509 -5.594 6.517 1.00 0.00 C ATOM 1597 CG HIS A 100 11.607 -4.719 7.038 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.385 -3.464 7.565 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.943 -4.926 7.111 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.537 -2.936 7.939 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.496 -3.803 7.676 1.00 0.00 N ATOM 0 H HIS A 100 8.936 -7.445 5.998 1.00 0.00 H new ATOM 0 HA HIS A 100 10.586 -6.856 8.249 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.918 -6.265 5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.764 -4.972 6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.474 -5.808 6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.671 -1.961 8.384 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.489 -3.662 7.862 1.00 0.00 H new ATOM 1610 N LYS A 101 7.612 -5.803 8.372 1.00 0.00 N ATOM 1611 CA LYS A 101 6.632 -5.033 9.127 1.00 0.00 C ATOM 1612 C LYS A 101 6.876 -5.171 10.625 1.00 0.00 C ATOM 1613 O LYS A 101 6.401 -4.359 11.418 1.00 0.00 O ATOM 1614 CB LYS A 101 5.213 -5.489 8.783 1.00 0.00 C ATOM 1615 CG LYS A 101 4.935 -6.941 9.144 1.00 0.00 C ATOM 1616 CD LYS A 101 3.509 -7.343 8.799 1.00 0.00 C ATOM 1617 CE LYS A 101 2.496 -6.623 9.675 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.099 -7.033 9.362 1.00 0.00 N ATOM 0 H LYS A 101 7.213 -6.548 7.800 1.00 0.00 H new ATOM 0 HA LYS A 101 6.741 -3.984 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.499 -4.851 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.045 -5.350 7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.634 -7.588 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.108 -7.091 10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.310 -7.117 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.395 -8.420 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.709 -6.832 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.598 -5.546 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.440 -6.519 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.886 -6.810 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.994 -8.056 9.518 1.00 0.00 H new ATOM 1632 N ASP A 102 7.621 -6.207 11.006 1.00 0.00 N ATOM 1633 CA ASP A 102 7.931 -6.446 12.413 1.00 0.00 C ATOM 1634 C ASP A 102 8.777 -5.312 12.981 1.00 0.00 C ATOM 1635 O ASP A 102 8.951 -5.200 14.196 1.00 0.00 O ATOM 1636 CB ASP A 102 8.664 -7.780 12.576 1.00 0.00 C ATOM 1637 CG ASP A 102 8.939 -8.115 14.029 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.081 -8.766 14.661 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.012 -7.726 14.536 1.00 0.00 O ATOM 0 H ASP A 102 8.019 -6.891 10.363 1.00 0.00 H new ATOM 0 HA ASP A 102 6.993 -6.487 12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.068 -8.576 12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.607 -7.743 12.030 1.00 0.00 H new ATOM 1644 N GLU A 103 9.303 -4.472 12.094 1.00 0.00 N ATOM 1645 CA GLU A 103 10.130 -3.344 12.502 1.00 0.00 C ATOM 1646 C GLU A 103 9.332 -2.044 12.448 1.00 0.00 C ATOM 1647 O GLU A 103 9.102 -1.402 13.473 1.00 0.00 O ATOM 1648 CB GLU A 103 11.365 -3.241 11.601 1.00 0.00 C ATOM 1649 CG GLU A 103 12.451 -2.320 12.142 1.00 0.00 C ATOM 1650 CD GLU A 103 12.066 -0.853 12.082 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.175 -0.256 10.990 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.657 -0.303 13.126 1.00 0.00 O ATOM 0 H GLU A 103 9.170 -4.553 11.086 1.00 0.00 H new ATOM 0 HA GLU A 103 10.454 -3.509 13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.784 -4.237 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.057 -2.884 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.669 -2.591 13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.367 -2.473 11.572 1.00 0.00 H new ATOM 1659 N VAL A 104 8.912 -1.662 11.245 1.00 0.00 N ATOM 1660 CA VAL A 104 8.142 -0.439 11.055 1.00 0.00 C ATOM 1661 C VAL A 104 6.778 -0.537 11.732 1.00 0.00 C ATOM 1662 O VAL A 104 6.418 -1.579 12.278 1.00 0.00 O ATOM 1663 CB VAL A 104 7.942 -0.126 9.558 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.283 -0.024 8.848 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.061 -1.179 8.900 1.00 0.00 C ATOM 0 H VAL A 104 9.093 -2.183 10.387 1.00 0.00 H new ATOM 0 HA VAL A 104 8.713 0.369 11.512 1.00 0.00 H new ATOM 0 HB VAL A 104 7.438 0.837 9.475 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.120 0.197 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.874 0.773 9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.817 -0.969 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.933 -0.939 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.531 -2.158 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.087 -1.196 9.389 1.00 0.00 H new ATOM 1675 N ALA A 105 6.023 0.557 11.689 1.00 0.00 N ATOM 1676 CA ALA A 105 4.698 0.594 12.298 1.00 0.00 C ATOM 1677 C ALA A 105 3.719 -0.294 11.538 1.00 0.00 C ATOM 1678 O ALA A 105 3.302 0.033 10.426 1.00 0.00 O ATOM 1679 CB ALA A 105 4.181 2.024 12.349 1.00 0.00 C ATOM 0 H ALA A 105 6.306 1.428 11.240 1.00 0.00 H new ATOM 0 HA ALA A 105 4.783 0.211 13.315 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.191 2.037 12.806 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.862 2.636 12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.119 2.425 11.337 1.00 0.00 H new ATOM 1685 N GLY A 106 3.359 -1.420 12.146 1.00 0.00 N ATOM 1686 CA GLY A 106 2.433 -2.342 11.515 1.00 0.00 C ATOM 1687 C GLY A 106 1.069 -1.725 11.276 1.00 0.00 C ATOM 1688 O GLY A 106 0.379 -2.082 10.322 1.00 0.00 O ATOM 0 H GLY A 106 3.692 -1.710 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.849 -2.675 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.323 -3.227 12.142 1.00 0.00 H new ATOM 1692 N ASP A 107 0.681 -0.799 12.148 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.613 -0.132 12.034 1.00 0.00 C ATOM 1694 C ASP A 107 -0.719 0.652 10.729 1.00 0.00 C ATOM 1695 O ASP A 107 -1.775 0.677 10.095 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.830 0.808 13.221 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.169 1.516 13.160 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.167 0.941 13.642 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.220 2.646 12.629 1.00 0.00 O ATOM 0 H ASP A 107 1.244 -0.493 12.942 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.386 -0.901 12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.765 0.239 14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.031 1.549 13.245 1.00 0.00 H new ATOM 1704 N ILE A 108 0.377 1.291 10.332 1.00 0.00 N ATOM 1705 CA ILE A 108 0.397 2.078 9.105 1.00 0.00 C ATOM 1706 C ILE A 108 0.408 1.184 7.870 1.00 0.00 C ATOM 1707 O ILE A 108 -0.384 1.379 6.947 1.00 0.00 O ATOM 1708 CB ILE A 108 1.616 3.019 9.060 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.595 3.961 10.266 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.627 3.809 7.757 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.837 4.819 10.392 1.00 0.00 C ATOM 0 H ILE A 108 1.261 1.279 10.841 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.514 2.676 9.102 1.00 0.00 H new ATOM 0 HB ILE A 108 2.527 2.422 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.722 4.610 10.194 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.479 3.370 11.175 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.494 4.470 7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.679 3.120 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.716 4.403 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.749 5.460 11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.713 4.178 10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.944 5.437 9.501 1.00 0.00 H new ATOM 1723 N PHE A 109 1.305 0.203 7.855 1.00 0.00 N ATOM 1724 CA PHE A 109 1.404 -0.712 6.725 1.00 0.00 C ATOM 1725 C PHE A 109 0.134 -1.539 6.582 1.00 0.00 C ATOM 1726 O PHE A 109 -0.223 -1.947 5.479 1.00 0.00 O ATOM 1727 CB PHE A 109 2.616 -1.637 6.862 1.00 0.00 C ATOM 1728 CG PHE A 109 2.733 -2.624 5.730 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.695 -2.192 4.412 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.868 -3.980 5.983 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.788 -3.094 3.368 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.965 -4.887 4.942 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.926 -4.442 3.633 1.00 0.00 C ATOM 0 H PHE A 109 1.969 0.022 8.608 1.00 0.00 H new ATOM 0 HA PHE A 109 1.533 -0.107 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.523 -1.034 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.547 -2.180 7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.592 -1.138 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.898 -4.333 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.753 -2.745 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.071 -5.941 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.003 -5.148 2.819 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.547 -1.776 7.700 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.774 -2.570 7.697 1.00 0.00 C ATOM 1745 C ASP A 110 -2.723 -2.105 6.598 1.00 0.00 C ATOM 1746 O ASP A 110 -3.511 -2.893 6.073 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.468 -2.481 9.056 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.746 -3.296 9.107 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.667 -4.504 9.410 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.824 -2.725 8.845 1.00 0.00 O ATOM 0 H ASP A 110 -0.271 -1.430 8.619 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.503 -3.608 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.787 -2.830 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.696 -1.438 9.277 1.00 0.00 H new ATOM 1755 N MET A 111 -2.645 -0.824 6.253 1.00 0.00 N ATOM 1756 CA MET A 111 -3.483 -0.268 5.200 1.00 0.00 C ATOM 1757 C MET A 111 -3.012 -0.779 3.843 1.00 0.00 C ATOM 1758 O MET A 111 -3.796 -1.307 3.054 1.00 0.00 O ATOM 1759 CB MET A 111 -3.435 1.261 5.229 1.00 0.00 C ATOM 1760 CG MET A 111 -4.264 1.918 4.137 1.00 0.00 C ATOM 1761 SD MET A 111 -3.970 3.692 4.012 1.00 0.00 S ATOM 1762 CE MET A 111 -2.240 3.718 3.547 1.00 0.00 C ATOM 0 H MET A 111 -2.011 -0.153 6.687 1.00 0.00 H new ATOM 0 HA MET A 111 -4.512 -0.585 5.366 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.788 1.609 6.200 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.399 1.585 5.132 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.035 1.448 3.181 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.322 1.742 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.086 4.457 2.761 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.634 3.979 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.946 2.734 3.183 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.717 -0.622 3.588 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.116 -1.064 2.337 1.00 0.00 C ATOM 1774 C LEU A 112 -1.157 -2.585 2.227 1.00 0.00 C ATOM 1775 O LEU A 112 -1.113 -3.138 1.130 1.00 0.00 O ATOM 1776 CB LEU A 112 0.331 -0.577 2.242 1.00 0.00 C ATOM 1777 CG LEU A 112 0.524 0.938 2.365 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.004 1.285 2.355 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.198 1.664 1.239 1.00 0.00 C ATOM 0 H LEU A 112 -1.060 -0.189 4.237 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.691 -0.638 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.913 -1.065 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.744 -0.902 1.287 1.00 0.00 H new ATOM 0 HG LEU A 112 0.096 1.263 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.125 2.365 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.498 0.795 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.451 0.945 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.049 2.739 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.200 1.335 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.264 1.439 1.286 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.246 -3.250 3.373 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.284 -4.708 3.424 1.00 0.00 C ATOM 1793 C LEU A 113 -2.343 -5.257 2.476 1.00 0.00 C ATOM 1794 O LEU A 113 -2.229 -6.382 1.987 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.560 -5.179 4.854 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.518 -6.695 5.062 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.124 -7.239 4.783 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.955 -7.048 6.475 1.00 0.00 C ATOM 0 H LEU A 113 -1.294 -2.799 4.287 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.312 -5.087 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.830 -4.717 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.542 -4.814 5.156 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.211 -7.157 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.117 -8.318 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.153 -7.018 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.591 -6.771 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.920 -8.129 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.286 -6.573 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.973 -6.695 6.640 1.00 0.00 H new ATOM 1810 N THR A 114 -3.376 -4.458 2.223 1.00 0.00 N ATOM 1811 CA THR A 114 -4.459 -4.860 1.333 1.00 0.00 C ATOM 1812 C THR A 114 -3.963 -5.104 -0.094 1.00 0.00 C ATOM 1813 O THR A 114 -4.758 -5.395 -0.989 1.00 0.00 O ATOM 1814 CB THR A 114 -5.572 -3.798 1.296 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.042 -2.549 0.839 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.195 -3.617 2.673 1.00 0.00 C ATOM 0 H THR A 114 -3.485 -3.526 2.623 1.00 0.00 H new ATOM 0 HA THR A 114 -4.856 -5.793 1.733 1.00 0.00 H new ATOM 0 HB THR A 114 -6.345 -4.138 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.602 -2.088 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.979 -2.861 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.624 -4.562 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.429 -3.297 3.380 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.652 -4.985 -0.308 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.074 -5.205 -1.631 1.00 0.00 C ATOM 1826 C PHE A 115 -2.255 -6.656 -2.062 1.00 0.00 C ATOM 1827 O PHE A 115 -2.120 -6.985 -3.241 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.581 -4.851 -1.637 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.291 -3.381 -1.811 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.018 -2.615 -2.711 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.717 -2.770 -1.079 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.747 -1.272 -2.876 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.989 -1.424 -1.241 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.256 -0.674 -2.140 1.00 0.00 C ATOM 0 H PHE A 115 -1.975 -4.739 0.414 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.595 -4.556 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.136 -5.189 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.092 -5.403 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.805 -3.075 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.295 -3.351 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.320 -0.688 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.775 -0.959 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.467 0.378 -2.267 1.00 0.00 H new ATOM 1844 N THR A 116 -2.562 -7.519 -1.100 1.00 0.00 N ATOM 1845 CA THR A 116 -2.762 -8.936 -1.379 1.00 0.00 C ATOM 1846 C THR A 116 -3.661 -9.587 -0.333 1.00 0.00 C ATOM 1847 O THR A 116 -4.320 -10.590 -0.607 1.00 0.00 O ATOM 1848 CB THR A 116 -1.422 -9.692 -1.429 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.654 -11.089 -1.645 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.643 -9.496 -0.137 1.00 0.00 C ATOM 0 H THR A 116 -2.678 -7.262 -0.120 1.00 0.00 H new ATOM 0 HA THR A 116 -3.245 -8.998 -2.354 1.00 0.00 H new ATOM 0 HB THR A 116 -0.834 -9.291 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.796 -11.562 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.300 -10.039 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.442 -8.435 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.228 -9.874 0.702 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.684 -9.013 0.867 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.507 -9.543 1.949 1.00 0.00 C ATOM 1860 C ASP A 117 -5.976 -9.202 1.724 1.00 0.00 C ATOM 1861 O ASP A 117 -6.484 -8.214 2.255 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.041 -8.988 3.299 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.579 -9.788 4.469 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -3.928 -10.780 4.858 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.650 -9.424 4.995 1.00 0.00 O ATOM 0 H ASP A 117 -3.144 -8.184 1.114 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.398 -10.628 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.952 -8.988 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.363 -7.951 3.393 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.650 -10.028 0.928 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.059 -9.817 0.619 1.00 0.00 C ATOM 1872 C PHE A 118 -8.903 -9.750 1.888 1.00 0.00 C ATOM 1873 O PHE A 118 -9.912 -9.046 1.935 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.574 -10.934 -0.291 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.990 -10.729 -0.751 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.270 -9.900 -1.826 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.041 -11.360 -0.106 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.573 -9.706 -2.249 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.345 -11.169 -0.522 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.611 -10.342 -1.596 1.00 0.00 C ATOM 0 H PHE A 118 -6.241 -10.851 0.485 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.147 -8.861 0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.925 -11.009 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.507 -11.884 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.462 -9.400 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.839 -12.010 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.778 -9.058 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.155 -11.666 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.629 -10.193 -1.925 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.486 -10.485 2.914 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.208 -10.502 4.181 1.00 0.00 C ATOM 1892 C LEU A 119 -9.294 -9.099 4.773 1.00 0.00 C ATOM 1893 O LEU A 119 -10.345 -8.683 5.258 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.522 -11.446 5.173 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.446 -12.911 4.733 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -7.631 -13.723 5.727 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.841 -13.499 4.582 1.00 0.00 C ATOM 0 H LEU A 119 -7.654 -11.075 2.893 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.219 -10.861 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.510 -11.084 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.052 -11.396 6.124 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.950 -12.952 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.587 -14.762 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.621 -13.318 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.100 -13.672 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.765 -14.540 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.364 -13.444 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.395 -12.934 3.832 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.181 -8.376 4.724 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.123 -7.017 5.251 1.00 0.00 C ATOM 1911 C ALA A 120 -8.800 -6.034 4.302 1.00 0.00 C ATOM 1912 O ALA A 120 -9.284 -4.983 4.721 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.678 -6.608 5.500 1.00 0.00 C ATOM 0 H ALA A 120 -7.304 -8.709 4.324 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.661 -6.996 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.650 -5.592 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.226 -7.289 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.121 -6.650 4.564 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.825 -6.386 3.021 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.435 -5.542 1.998 1.00 0.00 C ATOM 1921 C PHE A 121 -10.941 -5.413 2.222 1.00 0.00 C ATOM 1922 O PHE A 121 -11.473 -4.306 2.348 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.156 -6.143 0.616 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.360 -5.194 -0.532 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.706 -3.972 -0.566 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.196 -5.531 -1.585 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -8.884 -3.105 -1.626 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.376 -4.668 -2.649 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.719 -3.453 -2.670 1.00 0.00 C ATOM 0 H PHE A 121 -8.428 -7.255 2.664 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.001 -4.544 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.128 -6.505 0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.802 -7.009 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.050 -3.695 0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.713 -6.479 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.370 -2.155 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.030 -4.943 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.858 -2.777 -3.501 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.618 -6.554 2.297 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.062 -6.581 2.501 1.00 0.00 C ATOM 1941 C LYS A 122 -13.421 -6.110 3.906 1.00 0.00 C ATOM 1942 O LYS A 122 -14.395 -5.382 4.096 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.599 -7.995 2.269 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.116 -8.073 2.211 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.591 -9.505 2.019 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.100 -9.574 1.849 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.578 -10.976 1.687 1.00 0.00 N ATOM 0 H LYS A 122 -11.188 -7.476 2.219 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.522 -5.901 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.189 -8.381 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.241 -8.645 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.538 -7.668 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.483 -7.454 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.105 -9.936 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.293 -10.106 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.584 -9.123 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.394 -8.987 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.612 -10.979 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.136 -11.398 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.320 -11.530 2.528 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.627 -6.526 4.888 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.865 -6.146 6.276 1.00 0.00 C ATOM 1963 C GLU A 123 -12.730 -4.638 6.459 1.00 0.00 C ATOM 1964 O GLU A 123 -13.372 -4.051 7.331 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.888 -6.875 7.202 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.129 -6.608 8.679 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.160 -7.357 9.571 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.425 -8.539 9.876 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.135 -6.763 9.966 1.00 0.00 O ATOM 0 H GLU A 123 -11.814 -7.126 4.748 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.884 -6.435 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.960 -7.947 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.871 -6.576 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.041 -5.539 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.149 -6.895 8.935 1.00 0.00 H new ATOM 1976 N MET A 124 -11.895 -4.015 5.633 1.00 0.00 N ATOM 1977 CA MET A 124 -11.681 -2.574 5.711 1.00 0.00 C ATOM 1978 C MET A 124 -12.903 -1.811 5.211 1.00 0.00 C ATOM 1979 O MET A 124 -13.367 -0.875 5.861 1.00 0.00 O ATOM 1980 CB MET A 124 -10.447 -2.169 4.902 1.00 0.00 C ATOM 1981 CG MET A 124 -10.147 -0.680 4.956 1.00 0.00 C ATOM 1982 SD MET A 124 -8.701 -0.223 3.978 1.00 0.00 S ATOM 1983 CE MET A 124 -9.240 -0.694 2.335 1.00 0.00 C ATOM 0 H MET A 124 -11.357 -4.484 4.904 1.00 0.00 H new ATOM 0 HA MET A 124 -11.518 -2.318 6.758 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.582 -2.719 5.273 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.591 -2.465 3.863 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.014 -0.126 4.596 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.988 -0.383 5.993 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.628 -0.184 1.591 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.136 -1.772 2.213 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.284 -0.413 2.200 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.421 -2.213 4.052 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.593 -1.557 3.478 1.00 0.00 C ATOM 1995 C PHE A 125 -15.814 -1.717 4.377 1.00 0.00 C ATOM 1996 O PHE A 125 -16.531 -0.752 4.642 1.00 0.00 O ATOM 1997 CB PHE A 125 -14.897 -2.115 2.089 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.870 -1.746 1.060 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.641 -0.417 0.736 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.131 -2.724 0.422 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.692 -0.075 -0.208 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.183 -2.389 -0.521 1.00 0.00 C ATOM 2003 CZ PHE A 125 -11.961 -1.064 -0.839 1.00 0.00 C ATOM 0 H PHE A 125 -13.051 -2.984 3.496 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.365 -0.495 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -14.966 -3.201 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.872 -1.751 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.210 0.358 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.298 -3.763 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.522 0.963 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.613 -3.164 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.219 -0.801 -1.578 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.050 -2.943 4.840 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.187 -3.227 5.710 1.00 0.00 C ATOM 2015 C LEU A 126 -17.111 -2.412 6.998 1.00 0.00 C ATOM 2016 O LEU A 126 -18.131 -1.947 7.509 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.251 -4.722 6.035 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.068 -5.570 5.055 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.475 -5.504 3.654 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.141 -7.011 5.534 1.00 0.00 C ATOM 0 H LEU A 126 -15.469 -3.754 4.627 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.095 -2.941 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.234 -5.114 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.672 -4.842 7.033 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.079 -5.164 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.073 -6.114 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.475 -4.471 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.452 -5.880 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.725 -7.600 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.134 -7.422 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.617 -7.045 6.514 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.899 -2.242 7.520 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.699 -1.475 8.744 1.00 0.00 C ATOM 2034 C ASP A 127 -15.953 0.006 8.488 1.00 0.00 C ATOM 2035 O ASP A 127 -16.453 0.724 9.356 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.279 -1.680 9.278 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.065 -1.016 10.625 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.749 0.191 10.649 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.213 -1.706 11.656 1.00 0.00 O ATOM 0 H ASP A 127 -15.044 -2.624 7.115 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.408 -1.829 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.078 -2.748 9.366 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.563 -1.279 8.561 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.607 0.453 7.284 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.798 1.845 6.895 1.00 0.00 C ATOM 2046 C TYR A 128 -17.283 2.162 6.749 1.00 0.00 C ATOM 2047 O TYR A 128 -17.722 3.276 7.031 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.068 2.125 5.580 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.145 3.567 5.130 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.247 4.512 5.610 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.114 3.981 4.226 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.314 5.830 5.200 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.187 5.297 3.811 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.285 6.218 4.302 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.355 7.530 3.891 1.00 0.00 O ATOM 0 H TYR A 128 -15.191 -0.132 6.559 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.384 2.484 7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.020 1.845 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.487 1.489 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.485 4.212 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.822 3.263 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.608 6.553 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.946 5.603 3.106 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.095 7.635 3.257 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.049 1.169 6.307 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.487 1.329 6.120 1.00 0.00 C ATOM 2067 C ARG A 129 -20.199 1.458 7.463 1.00 0.00 C ATOM 2068 O ARG A 129 -21.081 2.300 7.630 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.048 0.136 5.340 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.550 0.195 5.120 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.049 -1.030 4.369 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.499 -1.020 4.202 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.202 -2.074 3.793 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.589 -3.216 3.507 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.520 -1.986 3.670 1.00 0.00 N ATOM 0 H ARG A 129 -17.696 0.242 6.071 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.661 2.243 5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.551 0.082 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.805 -0.782 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.058 0.266 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.802 1.095 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.572 -1.073 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.753 -1.930 4.908 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.002 -0.157 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.576 -3.288 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.131 -4.021 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.995 -1.110 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.058 -2.794 3.357 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.804 0.621 8.417 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.404 0.636 9.746 1.00 0.00 C ATOM 2091 C ALA A 130 -20.084 1.934 10.481 1.00 0.00 C ATOM 2092 O ALA A 130 -20.879 2.412 11.291 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.924 -0.561 10.554 1.00 0.00 C ATOM 0 H ALA A 130 -19.070 -0.077 8.294 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.486 0.574 9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.379 -0.538 11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.209 -1.482 10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.839 -0.522 10.653 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.916 2.502 10.192 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.491 3.742 10.825 1.00 0.00 C ATOM 2101 C GLU A 131 -19.448 4.884 10.491 1.00 0.00 C ATOM 2102 O GLU A 131 -19.561 5.850 11.246 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.075 4.093 10.374 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.530 5.364 11.000 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.375 5.255 12.504 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -17.361 5.516 13.224 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.266 4.907 12.962 1.00 0.00 O ATOM 0 H GLU A 131 -18.248 2.121 9.522 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.501 3.599 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.410 3.265 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.065 4.200 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.563 5.598 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.197 6.194 10.767 1.00 0.00 H new ATOM 2114 N LYS A 132 -20.136 4.765 9.360 1.00 0.00 N ATOM 2115 CA LYS A 132 -21.082 5.788 8.929 1.00 0.00 C ATOM 2116 C LYS A 132 -22.232 5.920 9.922 1.00 0.00 C ATOM 2117 O LYS A 132 -22.691 7.025 10.211 1.00 0.00 O ATOM 2118 CB LYS A 132 -21.627 5.460 7.537 1.00 0.00 C ATOM 2119 CG LYS A 132 -20.573 5.506 6.441 1.00 0.00 C ATOM 2120 CD LYS A 132 -19.996 6.904 6.278 1.00 0.00 C ATOM 2121 CE LYS A 132 -18.940 6.949 5.186 1.00 0.00 C ATOM 2122 NZ LYS A 132 -19.499 6.577 3.857 1.00 0.00 N ATOM 0 H LYS A 132 -20.056 3.970 8.725 1.00 0.00 H new ATOM 0 HA LYS A 132 -20.552 6.740 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -22.075 4.466 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -22.423 6.164 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -19.771 4.806 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.013 5.181 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -20.797 7.603 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.559 7.230 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.515 7.951 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -18.126 6.270 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.798 6.781 3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.727 5.562 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.363 7.127 3.677 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.693 4.786 10.442 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.788 4.777 11.405 1.00 0.00 C ATOM 2138 C GLU A 133 -23.280 5.088 12.808 1.00 0.00 C ATOM 2139 O GLU A 133 -24.066 5.251 13.743 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.499 3.423 11.394 1.00 0.00 C ATOM 2141 CG GLU A 133 -25.144 3.085 10.059 1.00 0.00 C ATOM 2142 CD GLU A 133 -25.814 1.725 10.063 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.998 1.647 10.454 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -25.155 0.737 9.676 1.00 0.00 O ATOM 0 H GLU A 133 -22.325 3.863 10.213 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.498 5.551 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.781 2.643 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.265 3.418 12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -25.882 3.849 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -24.386 3.110 9.277 1.00 0.00 H new ATOM 2151 N GLY A 134 -21.959 5.169 12.949 1.00 0.00 N ATOM 2152 CA GLY A 134 -21.367 5.462 14.242 1.00 0.00 C ATOM 2153 C GLY A 134 -21.304 6.950 14.523 1.00 0.00 C ATOM 2154 O GLY A 134 -21.570 7.389 15.643 1.00 0.00 O ATOM 0 H GLY A 134 -21.289 5.037 12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -21.947 4.971 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -20.361 5.044 14.281 1.00 0.00 H new ATOM 2158 N ARG A 135 -20.952 7.728 13.504 1.00 0.00 N ATOM 2159 CA ARG A 135 -20.856 9.177 13.642 1.00 0.00 C ATOM 2160 C ARG A 135 -21.694 9.881 12.581 1.00 0.00 C ATOM 2161 O ARG A 135 -22.607 10.641 12.901 1.00 0.00 O ATOM 2162 CB ARG A 135 -19.397 9.625 13.538 1.00 0.00 C ATOM 2163 CG ARG A 135 -18.510 9.075 14.644 1.00 0.00 C ATOM 2164 CD ARG A 135 -17.095 9.621 14.549 1.00 0.00 C ATOM 2165 NE ARG A 135 -16.461 9.294 13.276 1.00 0.00 N ATOM 2166 CZ ARG A 135 -15.443 9.978 12.761 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -14.951 11.027 13.409 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -14.917 9.616 11.600 1.00 0.00 N ATOM 0 H ARG A 135 -20.728 7.378 12.572 1.00 0.00 H new ATOM 0 HA ARG A 135 -21.243 9.450 14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -18.997 9.311 12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -19.358 10.714 13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -18.935 9.332 15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -18.486 7.987 14.585 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -17.116 10.704 14.675 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -16.496 9.217 15.365 1.00 0.00 H new ATOM 0 HE ARG A 135 -16.819 8.496 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.354 11.309 14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.170 11.551 13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.293 8.811 11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -14.136 10.142 11.207 1.00 0.00 H new ATOM 2182 N GLY A 136 -21.376 9.622 11.316 1.00 0.00 N ATOM 2183 CA GLY A 136 -22.107 10.238 10.224 1.00 0.00 C ATOM 2184 C GLY A 136 -21.423 10.042 8.886 1.00 0.00 C ATOM 2185 O GLY A 136 -20.180 9.931 8.866 1.00 0.00 O ATOM 2186 OXT GLY A 136 -22.131 10.002 7.857 1.00 0.00 O ATOM 0 H GLY A 136 -20.624 8.996 11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -23.112 9.817 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -22.216 11.305 10.420 1.00 0.00 H new TER 2190 GLY A 136