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 128 TYR OH : rot 180:sc= 0.022 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 164:sc= 0.0202 (180deg=0) USER MOD Set 2.1: A 45 MET CE :methyl 156:sc= -0.249 (180deg=-0.972) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 114 THR OG1 : rot -86:sc= 0.451 USER MOD Set 2.4: A 124 MET CE :methyl 161:sc= -0.261 (180deg=-0.86) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0155 (180deg=-0.247) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0112 F(o=-1.2,f=-0.011) USER MOD Single : A 43 ASN : amide:sc= -2.49 X(o=-2.5,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc=-0.00786 (180deg=-0.13) USER MOD Single : A 48 TYR OH : rot -24:sc= 0.899 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.279 X(o=-0.28,f=-0.66) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= -0.0156 (180deg=-0.213) USER MOD Single : A 76 TYR OH : rot 4:sc= 0.24 USER MOD Single : A 80 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.22) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -15:sc= 0.482 USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.469 USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.251 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0308 F(o=-2.4!,f=-0.031) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 100 HIS :FLIP no HE2:sc= -0.0962 F(o=-0.81,f=-0.096) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 155:sc= -0.217 (180deg=-0.958) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 122 LYS NZ :NH3+ -166:sc= 0.278 (180deg=0.221) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.208 0.295 13.775 1.00 0.00 N ATOM 2 CA MET A 1 30.692 0.516 15.152 1.00 0.00 C ATOM 3 C MET A 1 29.290 -0.063 15.308 1.00 0.00 C ATOM 4 O MET A 1 29.071 -0.977 16.103 1.00 0.00 O ATOM 5 CB MET A 1 30.674 2.012 15.471 1.00 0.00 C ATOM 6 CG MET A 1 32.054 2.651 15.470 1.00 0.00 C ATOM 7 SD MET A 1 31.997 4.425 15.787 1.00 0.00 S ATOM 8 CE MET A 1 33.743 4.828 15.786 1.00 0.00 C ATOM 0 H1 MET A 1 32.235 0.460 13.758 1.00 0.00 H new ATOM 0 H2 MET A 1 31.010 -0.683 13.483 1.00 0.00 H new ATOM 0 H3 MET A 1 30.741 0.953 13.119 1.00 0.00 H new ATOM 0 HA MET A 1 31.355 0.006 15.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.046 2.523 14.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.214 2.161 16.448 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.674 2.170 16.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.532 2.473 14.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.870 5.895 15.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.247 4.262 16.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.175 4.573 14.818 1.00 0.00 H new ATOM 18 N ASP A 2 28.345 0.475 14.544 1.00 0.00 N ATOM 19 CA ASP A 2 26.962 0.013 14.595 1.00 0.00 C ATOM 20 C ASP A 2 26.713 -1.064 13.542 1.00 0.00 C ATOM 21 O ASP A 2 25.606 -1.594 13.432 1.00 0.00 O ATOM 22 CB ASP A 2 26.005 1.189 14.386 1.00 0.00 C ATOM 23 CG ASP A 2 24.549 0.781 14.501 1.00 0.00 C ATOM 24 OD1 ASP A 2 24.061 0.629 15.640 1.00 0.00 O ATOM 25 OD2 ASP A 2 23.896 0.610 13.449 1.00 0.00 O ATOM 0 H ASP A 2 28.512 1.232 13.881 1.00 0.00 H new ATOM 0 HA ASP A 2 26.780 -0.420 15.578 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.221 1.964 15.121 1.00 0.00 H new ATOM 0 HB3 ASP A 2 26.180 1.625 13.403 1.00 0.00 H new ATOM 30 N ALA A 3 27.750 -1.386 12.773 1.00 0.00 N ATOM 31 CA ALA A 3 27.645 -2.401 11.730 1.00 0.00 C ATOM 32 C ALA A 3 27.168 -3.732 12.304 1.00 0.00 C ATOM 33 O ALA A 3 27.397 -4.030 13.476 1.00 0.00 O ATOM 34 CB ALA A 3 28.983 -2.577 11.030 1.00 0.00 C ATOM 0 H ALA A 3 28.673 -0.958 12.853 1.00 0.00 H new ATOM 0 HA ALA A 3 26.907 -2.064 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 3 28.891 -3.337 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 3 29.284 -1.632 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 3 29.735 -2.888 11.755 1.00 0.00 H new ATOM 40 N LEU A 4 26.503 -4.526 11.470 1.00 0.00 N ATOM 41 CA LEU A 4 25.992 -5.825 11.894 1.00 0.00 C ATOM 42 C LEU A 4 26.940 -6.944 11.473 1.00 0.00 C ATOM 43 O LEU A 4 27.129 -7.918 12.203 1.00 0.00 O ATOM 44 CB LEU A 4 24.598 -6.063 11.304 1.00 0.00 C ATOM 45 CG LEU A 4 23.887 -7.330 11.789 1.00 0.00 C ATOM 46 CD1 LEU A 4 22.382 -7.115 11.820 1.00 0.00 C ATOM 47 CD2 LEU A 4 24.233 -8.515 10.896 1.00 0.00 C ATOM 0 H LEU A 4 26.306 -4.293 10.497 1.00 0.00 H new ATOM 0 HA LEU A 4 25.921 -5.827 12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 4 23.971 -5.203 11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 4 24.684 -6.108 10.218 1.00 0.00 H new ATOM 0 HG LEU A 4 24.229 -7.549 12.801 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.892 -8.025 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 4 22.146 -6.294 12.497 1.00 0.00 H new ATOM 0 HD13 LEU A 4 22.029 -6.872 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.718 -9.405 11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 4 23.919 -8.304 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 4 25.310 -8.685 10.917 1.00 0.00 H new ATOM 59 N GLU A 5 27.532 -6.799 10.292 1.00 0.00 N ATOM 60 CA GLU A 5 28.457 -7.799 9.772 1.00 0.00 C ATOM 61 C GLU A 5 29.375 -7.186 8.719 1.00 0.00 C ATOM 62 O GLU A 5 30.532 -7.582 8.582 1.00 0.00 O ATOM 63 CB GLU A 5 27.679 -8.974 9.174 1.00 0.00 C ATOM 64 CG GLU A 5 28.483 -10.262 9.073 1.00 0.00 C ATOM 65 CD GLU A 5 29.558 -10.206 8.006 1.00 0.00 C ATOM 66 OE1 GLU A 5 29.206 -10.163 6.809 1.00 0.00 O ATOM 67 OE2 GLU A 5 30.754 -10.206 8.369 1.00 0.00 O ATOM 0 H GLU A 5 27.387 -5.998 9.677 1.00 0.00 H new ATOM 0 HA GLU A 5 29.072 -8.163 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.794 -9.157 9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 5 27.330 -8.697 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.946 -10.471 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.807 -11.090 8.857 1.00 0.00 H new ATOM 74 N GLY A 6 28.848 -6.212 7.982 1.00 0.00 N ATOM 75 CA GLY A 6 29.624 -5.554 6.945 1.00 0.00 C ATOM 76 C GLY A 6 30.940 -5.004 7.460 1.00 0.00 C ATOM 77 O GLY A 6 30.960 -4.055 8.244 1.00 0.00 O ATOM 0 H GLY A 6 27.894 -5.866 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 6 29.821 -6.262 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 6 29.037 -4.741 6.518 1.00 0.00 H new ATOM 81 N GLU A 7 32.039 -5.604 7.015 1.00 0.00 N ATOM 82 CA GLU A 7 33.369 -5.173 7.428 1.00 0.00 C ATOM 83 C GLU A 7 34.422 -5.666 6.440 1.00 0.00 C ATOM 84 O GLU A 7 35.474 -5.048 6.275 1.00 0.00 O ATOM 85 CB GLU A 7 33.683 -5.693 8.833 1.00 0.00 C ATOM 86 CG GLU A 7 35.022 -5.218 9.375 1.00 0.00 C ATOM 87 CD GLU A 7 35.101 -3.707 9.490 1.00 0.00 C ATOM 88 OE1 GLU A 7 35.523 -3.059 8.509 1.00 0.00 O ATOM 89 OE2 GLU A 7 34.743 -3.173 10.560 1.00 0.00 O ATOM 0 H GLU A 7 32.034 -6.392 6.367 1.00 0.00 H new ATOM 0 HA GLU A 7 33.388 -4.083 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 7 32.893 -5.376 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.673 -6.783 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 7 35.192 -5.663 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 7 35.820 -5.571 8.722 1.00 0.00 H new ATOM 96 N SER A 8 34.125 -6.783 5.785 1.00 0.00 N ATOM 97 CA SER A 8 35.035 -7.366 4.806 1.00 0.00 C ATOM 98 C SER A 8 34.307 -7.650 3.497 1.00 0.00 C ATOM 99 O SER A 8 33.150 -7.266 3.325 1.00 0.00 O ATOM 100 CB SER A 8 35.650 -8.656 5.355 1.00 0.00 C ATOM 101 OG SER A 8 36.390 -8.405 6.537 1.00 0.00 O ATOM 0 H SER A 8 33.258 -7.304 5.915 1.00 0.00 H new ATOM 0 HA SER A 8 35.833 -6.649 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 34.861 -9.379 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 36.301 -9.101 4.602 1.00 0.00 H new ATOM 0 HG SER A 8 36.771 -9.245 6.869 1.00 0.00 H new ATOM 107 N PHE A 9 34.990 -8.321 2.576 1.00 0.00 N ATOM 108 CA PHE A 9 34.404 -8.652 1.281 1.00 0.00 C ATOM 109 C PHE A 9 33.173 -9.536 1.447 1.00 0.00 C ATOM 110 O PHE A 9 33.270 -10.675 1.905 1.00 0.00 O ATOM 111 CB PHE A 9 35.435 -9.349 0.393 1.00 0.00 C ATOM 112 CG PHE A 9 36.526 -8.436 -0.085 1.00 0.00 C ATOM 113 CD1 PHE A 9 36.382 -7.724 -1.265 1.00 0.00 C ATOM 114 CD2 PHE A 9 37.693 -8.287 0.645 1.00 0.00 C ATOM 115 CE1 PHE A 9 37.382 -6.880 -1.709 1.00 0.00 C ATOM 116 CE2 PHE A 9 38.698 -7.445 0.207 1.00 0.00 C ATOM 117 CZ PHE A 9 38.543 -6.741 -0.972 1.00 0.00 C ATOM 0 H PHE A 9 35.949 -8.646 2.701 1.00 0.00 H new ATOM 0 HA PHE A 9 34.095 -7.722 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 9 35.880 -10.176 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 9 34.928 -9.780 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 9 35.477 -7.830 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 9 37.820 -8.835 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 9 37.257 -6.330 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 9 39.604 -7.337 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 9 39.327 -6.084 -1.317 1.00 0.00 H new ATOM 127 N ALA A 10 32.015 -9.001 1.069 1.00 0.00 N ATOM 128 CA ALA A 10 30.761 -9.736 1.172 1.00 0.00 C ATOM 129 C ALA A 10 29.828 -9.394 0.015 1.00 0.00 C ATOM 130 O ALA A 10 29.603 -10.214 -0.876 1.00 0.00 O ATOM 131 CB ALA A 10 30.085 -9.441 2.501 1.00 0.00 C ATOM 0 H ALA A 10 31.921 -8.059 0.688 1.00 0.00 H new ATOM 0 HA ALA A 10 30.987 -10.801 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 10 29.149 -9.997 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 10 30.741 -9.741 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 10 29.879 -8.373 2.575 1.00 0.00 H new ATOM 137 N LEU A 11 29.288 -8.177 0.037 1.00 0.00 N ATOM 138 CA LEU A 11 28.378 -7.719 -1.009 1.00 0.00 C ATOM 139 C LEU A 11 27.186 -8.663 -1.147 1.00 0.00 C ATOM 140 O LEU A 11 26.630 -8.822 -2.234 1.00 0.00 O ATOM 141 CB LEU A 11 29.118 -7.607 -2.344 1.00 0.00 C ATOM 142 CG LEU A 11 30.332 -6.672 -2.337 1.00 0.00 C ATOM 143 CD1 LEU A 11 31.055 -6.728 -3.674 1.00 0.00 C ATOM 144 CD2 LEU A 11 29.906 -5.246 -2.021 1.00 0.00 C ATOM 0 H LEU A 11 29.466 -7.490 0.769 1.00 0.00 H new ATOM 0 HA LEU A 11 28.004 -6.735 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.447 -8.602 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 28.416 -7.261 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 11 31.019 -7.006 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 11 31.914 -6.058 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.394 -7.747 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.375 -6.419 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.781 -4.596 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.199 -4.902 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.432 -5.217 -1.040 1.00 0.00 H new ATOM 156 N SER A 12 26.795 -9.279 -0.036 1.00 0.00 N ATOM 157 CA SER A 12 25.669 -10.208 -0.029 1.00 0.00 C ATOM 158 C SER A 12 24.354 -9.480 -0.292 1.00 0.00 C ATOM 159 O SER A 12 23.759 -9.622 -1.360 1.00 0.00 O ATOM 160 CB SER A 12 25.597 -10.946 1.310 1.00 0.00 C ATOM 161 OG SER A 12 26.754 -11.735 1.521 1.00 0.00 O ATOM 0 H SER A 12 27.241 -9.152 0.872 1.00 0.00 H new ATOM 0 HA SER A 12 25.827 -10.932 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.492 -10.225 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.711 -11.581 1.331 1.00 0.00 H new ATOM 0 HG SER A 12 26.684 -12.194 2.384 1.00 0.00 H new ATOM 167 N PHE A 13 23.909 -8.703 0.690 1.00 0.00 N ATOM 168 CA PHE A 13 22.662 -7.954 0.569 1.00 0.00 C ATOM 169 C PHE A 13 22.765 -6.603 1.272 1.00 0.00 C ATOM 170 O PHE A 13 23.487 -6.460 2.259 1.00 0.00 O ATOM 171 CB PHE A 13 21.500 -8.759 1.156 1.00 0.00 C ATOM 172 CG PHE A 13 21.702 -9.146 2.595 1.00 0.00 C ATOM 173 CD1 PHE A 13 22.465 -10.253 2.929 1.00 0.00 C ATOM 174 CD2 PHE A 13 21.128 -8.401 3.613 1.00 0.00 C ATOM 175 CE1 PHE A 13 22.653 -10.610 4.251 1.00 0.00 C ATOM 176 CE2 PHE A 13 21.312 -8.752 4.937 1.00 0.00 C ATOM 177 CZ PHE A 13 22.075 -9.859 5.256 1.00 0.00 C ATOM 0 H PHE A 13 24.393 -8.575 1.579 1.00 0.00 H new ATOM 0 HA PHE A 13 22.476 -7.778 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 13 20.584 -8.174 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 13 21.358 -9.662 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 13 22.918 -10.844 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 13 20.530 -7.536 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 13 23.251 -11.475 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 13 20.860 -8.162 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 13 22.219 -10.137 6.290 1.00 0.00 H new ATOM 187 N SER A 14 22.038 -5.616 0.756 1.00 0.00 N ATOM 188 CA SER A 14 22.047 -4.278 1.336 1.00 0.00 C ATOM 189 C SER A 14 20.716 -3.569 1.099 1.00 0.00 C ATOM 190 O SER A 14 19.797 -4.145 0.517 1.00 0.00 O ATOM 191 CB SER A 14 23.192 -3.452 0.744 1.00 0.00 C ATOM 192 OG SER A 14 24.444 -4.072 0.980 1.00 0.00 O ATOM 0 H SER A 14 21.436 -5.718 -0.061 1.00 0.00 H new ATOM 0 HA SER A 14 22.196 -4.377 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.040 -3.330 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.189 -2.454 1.182 1.00 0.00 H new ATOM 0 HG SER A 14 25.158 -3.525 0.591 1.00 0.00 H new ATOM 198 N SER A 15 20.634 -2.319 1.563 1.00 0.00 N ATOM 199 CA SER A 15 19.431 -1.495 1.421 1.00 0.00 C ATOM 200 C SER A 15 18.331 -1.930 2.387 1.00 0.00 C ATOM 201 O SER A 15 17.682 -1.093 3.017 1.00 0.00 O ATOM 202 CB SER A 15 18.910 -1.522 -0.020 1.00 0.00 C ATOM 203 OG SER A 15 19.907 -1.092 -0.930 1.00 0.00 O ATOM 0 H SER A 15 21.399 -1.850 2.047 1.00 0.00 H new ATOM 0 HA SER A 15 19.714 -0.472 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.591 -2.532 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.034 -0.880 -0.105 1.00 0.00 H new ATOM 0 HG SER A 15 19.551 -1.120 -1.843 1.00 0.00 H new ATOM 209 N ALA A 16 18.123 -3.238 2.504 1.00 0.00 N ATOM 210 CA ALA A 16 17.101 -3.774 3.397 1.00 0.00 C ATOM 211 C ALA A 16 17.388 -3.403 4.847 1.00 0.00 C ATOM 212 O ALA A 16 16.563 -2.775 5.512 1.00 0.00 O ATOM 213 CB ALA A 16 17.009 -5.285 3.245 1.00 0.00 C ATOM 0 H ALA A 16 18.649 -3.946 1.992 1.00 0.00 H new ATOM 0 HA ALA A 16 16.144 -3.332 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.243 -5.672 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.748 -5.532 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.970 -5.735 3.493 1.00 0.00 H new ATOM 219 N SER A 17 18.561 -3.795 5.333 1.00 0.00 N ATOM 220 CA SER A 17 18.958 -3.503 6.705 1.00 0.00 C ATOM 221 C SER A 17 19.820 -2.248 6.765 1.00 0.00 C ATOM 222 O SER A 17 20.574 -2.045 7.718 1.00 0.00 O ATOM 223 CB SER A 17 19.720 -4.688 7.301 1.00 0.00 C ATOM 224 OG SER A 17 20.894 -4.969 6.557 1.00 0.00 O ATOM 0 H SER A 17 19.254 -4.316 4.796 1.00 0.00 H new ATOM 0 HA SER A 17 18.054 -3.330 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 17 19.985 -4.470 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 17 19.076 -5.567 7.316 1.00 0.00 H new ATOM 0 HG SER A 17 21.363 -5.729 6.960 1.00 0.00 H new ATOM 230 N ASP A 18 19.700 -1.405 5.744 1.00 0.00 N ATOM 231 CA ASP A 18 20.471 -0.170 5.678 1.00 0.00 C ATOM 232 C ASP A 18 19.563 1.052 5.769 1.00 0.00 C ATOM 233 O ASP A 18 18.355 0.929 5.977 1.00 0.00 O ATOM 234 CB ASP A 18 21.283 -0.121 4.383 1.00 0.00 C ATOM 235 CG ASP A 18 22.296 -1.244 4.294 1.00 0.00 C ATOM 236 OD1 ASP A 18 21.894 -2.384 3.980 1.00 0.00 O ATOM 237 OD2 ASP A 18 23.492 -0.985 4.541 1.00 0.00 O ATOM 0 H ASP A 18 19.076 -1.555 4.951 1.00 0.00 H new ATOM 0 HA ASP A 18 21.152 -0.154 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.606 -0.177 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 18 21.799 0.837 4.317 1.00 0.00 H new ATOM 242 N ALA A 19 20.159 2.230 5.612 1.00 0.00 N ATOM 243 CA ALA A 19 19.421 3.486 5.676 1.00 0.00 C ATOM 244 C ALA A 19 18.401 3.588 4.545 1.00 0.00 C ATOM 245 O ALA A 19 17.418 4.321 4.649 1.00 0.00 O ATOM 246 CB ALA A 19 20.384 4.662 5.625 1.00 0.00 C ATOM 0 H ALA A 19 21.158 2.340 5.438 1.00 0.00 H new ATOM 0 HA ALA A 19 18.877 3.511 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.822 5.595 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.070 4.607 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.951 4.628 4.695 1.00 0.00 H new ATOM 252 N GLU A 20 18.644 2.847 3.467 1.00 0.00 N ATOM 253 CA GLU A 20 17.753 2.856 2.311 1.00 0.00 C ATOM 254 C GLU A 20 16.326 2.495 2.711 1.00 0.00 C ATOM 255 O GLU A 20 15.372 3.151 2.291 1.00 0.00 O ATOM 256 CB GLU A 20 18.257 1.879 1.248 1.00 0.00 C ATOM 257 CG GLU A 20 17.441 1.897 -0.036 1.00 0.00 C ATOM 258 CD GLU A 20 17.486 3.241 -0.735 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.639 4.103 -0.420 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.371 3.432 -1.596 1.00 0.00 O ATOM 0 H GLU A 20 19.452 2.232 3.370 1.00 0.00 H new ATOM 0 HA GLU A 20 17.748 3.865 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.294 2.116 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.247 0.870 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.815 1.128 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.405 1.644 0.192 1.00 0.00 H new ATOM 267 N PHE A 21 16.185 1.451 3.523 1.00 0.00 N ATOM 268 CA PHE A 21 14.870 1.009 3.977 1.00 0.00 C ATOM 269 C PHE A 21 14.137 2.136 4.698 1.00 0.00 C ATOM 270 O PHE A 21 12.979 2.425 4.398 1.00 0.00 O ATOM 271 CB PHE A 21 15.005 -0.203 4.902 1.00 0.00 C ATOM 272 CG PHE A 21 13.687 -0.744 5.382 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.940 -1.595 4.583 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.195 -0.401 6.631 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.727 -2.093 5.021 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.984 -0.896 7.075 1.00 0.00 C ATOM 277 CZ PHE A 21 11.248 -1.744 6.268 1.00 0.00 C ATOM 0 H PHE A 21 16.963 0.896 3.879 1.00 0.00 H new ATOM 0 HA PHE A 21 14.288 0.723 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.543 -0.992 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.610 0.075 5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.310 -1.872 3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.765 0.261 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.154 -2.755 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.613 -0.621 8.051 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.301 -2.132 6.612 1.00 0.00 H new ATOM 287 N ASP A 22 14.819 2.769 5.648 1.00 0.00 N ATOM 288 CA ASP A 22 14.233 3.863 6.413 1.00 0.00 C ATOM 289 C ASP A 22 13.790 4.998 5.494 1.00 0.00 C ATOM 290 O ASP A 22 12.761 5.634 5.729 1.00 0.00 O ATOM 291 CB ASP A 22 15.235 4.387 7.445 1.00 0.00 C ATOM 292 CG ASP A 22 15.657 3.318 8.435 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.992 3.185 9.483 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.652 2.615 8.161 1.00 0.00 O ATOM 0 H ASP A 22 15.779 2.542 5.906 1.00 0.00 H new ATOM 0 HA ASP A 22 13.355 3.478 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.116 4.770 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.792 5.224 7.985 1.00 0.00 H new ATOM 299 N ALA A 23 14.572 5.247 4.448 1.00 0.00 N ATOM 300 CA ALA A 23 14.262 6.305 3.494 1.00 0.00 C ATOM 301 C ALA A 23 12.910 6.069 2.829 1.00 0.00 C ATOM 302 O ALA A 23 12.088 6.981 2.736 1.00 0.00 O ATOM 303 CB ALA A 23 15.357 6.407 2.442 1.00 0.00 C ATOM 0 H ALA A 23 15.426 4.729 4.240 1.00 0.00 H new ATOM 0 HA ALA A 23 14.209 7.246 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.111 7.201 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.307 6.633 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.438 5.460 1.908 1.00 0.00 H new ATOM 309 N VAL A 24 12.688 4.843 2.365 1.00 0.00 N ATOM 310 CA VAL A 24 11.436 4.490 1.708 1.00 0.00 C ATOM 311 C VAL A 24 10.246 4.734 2.628 1.00 0.00 C ATOM 312 O VAL A 24 9.231 5.293 2.210 1.00 0.00 O ATOM 313 CB VAL A 24 11.431 3.016 1.257 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.156 2.694 0.492 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.658 2.712 0.411 1.00 0.00 C ATOM 0 H VAL A 24 13.359 4.078 2.432 1.00 0.00 H new ATOM 0 HA VAL A 24 11.350 5.129 0.829 1.00 0.00 H new ATOM 0 HB VAL A 24 11.464 2.385 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.172 1.649 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.293 2.869 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.089 3.333 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.637 1.667 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.659 3.351 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.559 2.899 0.996 1.00 0.00 H new ATOM 325 N VAL A 25 10.376 4.312 3.884 1.00 0.00 N ATOM 326 CA VAL A 25 9.312 4.487 4.866 1.00 0.00 C ATOM 327 C VAL A 25 8.902 5.951 4.971 1.00 0.00 C ATOM 328 O VAL A 25 7.718 6.269 5.085 1.00 0.00 O ATOM 329 CB VAL A 25 9.744 3.982 6.257 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.611 4.130 7.262 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.205 2.534 6.178 1.00 0.00 C ATOM 0 H VAL A 25 11.209 3.846 4.244 1.00 0.00 H new ATOM 0 HA VAL A 25 8.461 3.898 4.524 1.00 0.00 H new ATOM 0 HB VAL A 25 10.580 4.592 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.939 3.767 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.330 5.180 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.751 3.549 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.506 2.194 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.388 1.911 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.051 2.458 5.495 1.00 0.00 H new ATOM 341 N GLY A 26 9.890 6.842 4.931 1.00 0.00 N ATOM 342 CA GLY A 26 9.610 8.263 5.018 1.00 0.00 C ATOM 343 C GLY A 26 8.786 8.762 3.847 1.00 0.00 C ATOM 344 O GLY A 26 7.823 9.509 4.029 1.00 0.00 O ATOM 0 H GLY A 26 10.878 6.604 4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.079 8.470 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.550 8.814 5.059 1.00 0.00 H new ATOM 348 N TYR A 27 9.163 8.344 2.642 1.00 0.00 N ATOM 349 CA TYR A 27 8.454 8.751 1.435 1.00 0.00 C ATOM 350 C TYR A 27 7.018 8.238 1.448 1.00 0.00 C ATOM 351 O TYR A 27 6.128 8.843 0.851 1.00 0.00 O ATOM 352 CB TYR A 27 9.182 8.240 0.188 1.00 0.00 C ATOM 353 CG TYR A 27 10.497 8.940 -0.079 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.535 10.295 -0.387 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.700 8.246 -0.027 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.732 10.938 -0.634 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.902 8.883 -0.274 1.00 0.00 C ATOM 358 CZ TYR A 27 12.913 10.228 -0.576 1.00 0.00 C ATOM 359 OH TYR A 27 14.107 10.866 -0.823 1.00 0.00 O ATOM 0 H TYR A 27 9.956 7.724 2.476 1.00 0.00 H new ATOM 0 HA TYR A 27 8.431 9.840 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.365 7.171 0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.532 8.365 -0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.612 10.855 -0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.696 7.192 0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.743 11.992 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.828 8.329 -0.231 1.00 0.00 H new ATOM 0 HH TYR A 27 14.844 10.225 -0.741 1.00 0.00 H new ATOM 369 N LEU A 28 6.798 7.119 2.133 1.00 0.00 N ATOM 370 CA LEU A 28 5.468 6.528 2.224 1.00 0.00 C ATOM 371 C LEU A 28 4.552 7.378 3.100 1.00 0.00 C ATOM 372 O LEU A 28 3.417 7.667 2.727 1.00 0.00 O ATOM 373 CB LEU A 28 5.553 5.105 2.782 1.00 0.00 C ATOM 374 CG LEU A 28 6.279 4.096 1.887 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.451 2.768 2.607 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.520 3.899 0.582 1.00 0.00 C ATOM 0 H LEU A 28 7.523 6.604 2.632 1.00 0.00 H new ATOM 0 HA LEU A 28 5.047 6.490 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.058 5.140 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.541 4.742 2.965 1.00 0.00 H new ATOM 0 HG LEU A 28 7.268 4.492 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.969 2.065 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.036 2.919 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.472 2.367 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.050 3.179 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.519 3.526 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.448 4.851 0.056 1.00 0.00 H new ATOM 388 N GLU A 29 5.056 7.778 4.265 1.00 0.00 N ATOM 389 CA GLU A 29 4.282 8.595 5.193 1.00 0.00 C ATOM 390 C GLU A 29 3.884 9.920 4.551 1.00 0.00 C ATOM 391 O GLU A 29 2.811 10.458 4.826 1.00 0.00 O ATOM 392 CB GLU A 29 5.084 8.853 6.469 1.00 0.00 C ATOM 393 CG GLU A 29 5.473 7.585 7.211 1.00 0.00 C ATOM 394 CD GLU A 29 6.256 7.868 8.478 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.499 7.962 8.400 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.625 7.994 9.548 1.00 0.00 O ATOM 0 H GLU A 29 5.996 7.549 4.588 1.00 0.00 H new ATOM 0 HA GLU A 29 3.374 8.049 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.988 9.406 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.498 9.488 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.572 7.025 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.069 6.952 6.554 1.00 0.00 H new ATOM 403 N ASP A 30 4.758 10.441 3.695 1.00 0.00 N ATOM 404 CA ASP A 30 4.500 11.703 3.012 1.00 0.00 C ATOM 405 C ASP A 30 3.295 11.588 2.080 1.00 0.00 C ATOM 406 O ASP A 30 2.555 12.553 1.888 1.00 0.00 O ATOM 407 CB ASP A 30 5.732 12.136 2.217 1.00 0.00 C ATOM 408 CG ASP A 30 5.515 13.441 1.476 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.714 14.510 2.087 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.144 13.392 0.284 1.00 0.00 O ATOM 0 H ASP A 30 5.651 10.008 3.458 1.00 0.00 H new ATOM 0 HA ASP A 30 4.278 12.455 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.579 12.243 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.992 11.355 1.503 1.00 0.00 H new ATOM 415 N ILE A 31 3.104 10.403 1.507 1.00 0.00 N ATOM 416 CA ILE A 31 1.991 10.168 0.593 1.00 0.00 C ATOM 417 C ILE A 31 0.706 9.850 1.353 1.00 0.00 C ATOM 418 O ILE A 31 -0.367 10.338 1.002 1.00 0.00 O ATOM 419 CB ILE A 31 2.297 9.016 -0.384 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.597 9.295 -1.142 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.142 8.823 -1.358 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.039 8.152 -2.034 1.00 0.00 C ATOM 0 H ILE A 31 3.704 9.592 1.659 1.00 0.00 H new ATOM 0 HA ILE A 31 1.853 11.088 0.025 1.00 0.00 H new ATOM 0 HB ILE A 31 2.420 8.097 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.468 10.190 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.388 9.510 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.375 8.006 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.234 8.585 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.990 9.740 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.967 8.422 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.201 7.260 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.267 7.951 -2.777 1.00 0.00 H new ATOM 434 N ILE A 32 0.821 9.032 2.394 1.00 0.00 N ATOM 435 CA ILE A 32 -0.335 8.649 3.197 1.00 0.00 C ATOM 436 C ILE A 32 -1.011 9.871 3.811 1.00 0.00 C ATOM 437 O ILE A 32 -2.233 9.905 3.965 1.00 0.00 O ATOM 438 CB ILE A 32 0.062 7.668 4.321 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.673 6.397 3.725 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.146 7.330 5.184 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.194 5.425 4.763 1.00 0.00 C ATOM 0 H ILE A 32 1.703 8.622 2.701 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.037 8.154 2.526 1.00 0.00 H new ATOM 0 HB ILE A 32 0.810 8.146 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.078 5.895 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.490 6.675 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.848 6.637 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.539 8.242 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.916 6.868 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.611 4.550 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.969 5.908 5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.377 5.116 5.415 1.00 0.00 H new ATOM 453 N MET A 33 -0.213 10.877 4.153 1.00 0.00 N ATOM 454 CA MET A 33 -0.739 12.098 4.753 1.00 0.00 C ATOM 455 C MET A 33 -0.907 13.197 3.708 1.00 0.00 C ATOM 456 O MET A 33 -1.239 14.335 4.043 1.00 0.00 O ATOM 457 CB MET A 33 0.186 12.577 5.872 1.00 0.00 C ATOM 458 CG MET A 33 0.362 11.562 6.990 1.00 0.00 C ATOM 459 SD MET A 33 1.465 12.143 8.293 1.00 0.00 S ATOM 460 CE MET A 33 1.458 10.732 9.397 1.00 0.00 C ATOM 0 H MET A 33 0.799 10.871 4.025 1.00 0.00 H new ATOM 0 HA MET A 33 -1.720 11.873 5.171 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.163 12.813 5.449 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.212 13.501 6.291 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.612 11.330 7.421 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.755 10.634 6.574 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.097 10.938 10.255 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.441 10.543 9.739 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.832 9.855 8.869 1.00 0.00 H new ATOM 470 N ASP A 34 -0.679 12.852 2.445 1.00 0.00 N ATOM 471 CA ASP A 34 -0.811 13.815 1.359 1.00 0.00 C ATOM 472 C ASP A 34 -2.281 14.141 1.108 1.00 0.00 C ATOM 473 O ASP A 34 -3.117 13.245 1.009 1.00 0.00 O ATOM 474 CB ASP A 34 -0.165 13.273 0.083 1.00 0.00 C ATOM 475 CG ASP A 34 0.223 14.378 -0.880 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.585 15.311 -1.070 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.339 14.315 -1.438 1.00 0.00 O ATOM 0 H ASP A 34 -0.403 11.916 2.149 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.297 14.731 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.721 12.694 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.857 12.591 -0.410 1.00 0.00 H new ATOM 482 N ASP A 35 -2.584 15.432 1.006 1.00 0.00 N ATOM 483 CA ASP A 35 -3.953 15.890 0.779 1.00 0.00 C ATOM 484 C ASP A 35 -4.580 15.221 -0.443 1.00 0.00 C ATOM 485 O ASP A 35 -5.666 14.648 -0.356 1.00 0.00 O ATOM 486 CB ASP A 35 -3.976 17.410 0.605 1.00 0.00 C ATOM 487 CG ASP A 35 -3.405 18.139 1.806 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.180 18.452 2.734 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.183 18.398 1.817 1.00 0.00 O ATOM 0 H ASP A 35 -1.897 16.183 1.077 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.542 15.611 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.407 17.680 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.002 17.738 0.438 1.00 0.00 H new ATOM 494 N GLU A 36 -3.894 15.299 -1.580 1.00 0.00 N ATOM 495 CA GLU A 36 -4.396 14.711 -2.820 1.00 0.00 C ATOM 496 C GLU A 36 -4.588 13.201 -2.690 1.00 0.00 C ATOM 497 O GLU A 36 -5.429 12.616 -3.373 1.00 0.00 O ATOM 498 CB GLU A 36 -3.445 15.019 -3.979 1.00 0.00 C ATOM 499 CG GLU A 36 -2.052 14.438 -3.801 1.00 0.00 C ATOM 500 CD GLU A 36 -1.093 14.881 -4.888 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.143 14.308 -5.996 1.00 0.00 O ATOM 502 OE2 GLU A 36 -0.292 15.805 -4.632 1.00 0.00 O ATOM 0 H GLU A 36 -2.990 15.763 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.369 15.157 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.875 14.631 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.366 16.100 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.658 14.738 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.114 13.350 -3.797 1.00 0.00 H new ATOM 509 N PHE A 37 -3.809 12.575 -1.813 1.00 0.00 N ATOM 510 CA PHE A 37 -3.905 11.133 -1.608 1.00 0.00 C ATOM 511 C PHE A 37 -5.135 10.777 -0.780 1.00 0.00 C ATOM 512 O PHE A 37 -5.797 9.772 -1.038 1.00 0.00 O ATOM 513 CB PHE A 37 -2.640 10.604 -0.925 1.00 0.00 C ATOM 514 CG PHE A 37 -2.697 9.136 -0.602 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.434 8.189 -1.578 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.012 8.706 0.677 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.486 6.838 -1.284 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.066 7.358 0.977 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.801 6.423 -0.005 1.00 0.00 C ATOM 0 H PHE A 37 -3.108 13.040 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.003 10.661 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.783 10.792 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.474 11.163 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.186 8.509 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.218 9.433 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.281 6.109 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.315 7.036 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.840 5.369 0.227 1.00 0.00 H new ATOM 529 N GLN A 38 -5.435 11.604 0.217 1.00 0.00 N ATOM 530 CA GLN A 38 -6.588 11.371 1.077 1.00 0.00 C ATOM 531 C GLN A 38 -7.890 11.542 0.299 1.00 0.00 C ATOM 532 O GLN A 38 -8.795 10.715 0.399 1.00 0.00 O ATOM 533 CB GLN A 38 -6.561 12.325 2.273 1.00 0.00 C ATOM 534 CG GLN A 38 -5.421 12.053 3.242 1.00 0.00 C ATOM 535 CD GLN A 38 -5.371 13.054 4.379 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.012 12.869 5.414 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.602 14.121 4.195 1.00 0.00 N ATOM 0 H GLN A 38 -4.897 12.439 0.448 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.537 10.345 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.481 13.349 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.508 12.250 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.529 11.049 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.475 12.076 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.088 14.235 3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.525 14.827 4.927 1.00 0.00 H new ATOM 546 N LEU A 39 -7.972 12.619 -0.476 1.00 0.00 N ATOM 547 CA LEU A 39 -9.161 12.898 -1.276 1.00 0.00 C ATOM 548 C LEU A 39 -9.395 11.799 -2.307 1.00 0.00 C ATOM 549 O LEU A 39 -10.493 11.250 -2.405 1.00 0.00 O ATOM 550 CB LEU A 39 -9.023 14.252 -1.980 1.00 0.00 C ATOM 551 CG LEU A 39 -10.069 14.537 -3.062 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.472 14.517 -2.475 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.791 15.875 -3.732 1.00 0.00 C ATOM 0 H LEU A 39 -7.230 13.313 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.019 12.930 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.077 15.040 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.033 14.309 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.003 13.752 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.198 14.722 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.672 13.536 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.553 15.278 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.544 16.062 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.827 16.670 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.803 15.853 -4.192 1.00 0.00 H new ATOM 565 N LEU A 40 -8.357 11.486 -3.074 1.00 0.00 N ATOM 566 CA LEU A 40 -8.445 10.456 -4.104 1.00 0.00 C ATOM 567 C LEU A 40 -8.871 9.116 -3.509 1.00 0.00 C ATOM 568 O LEU A 40 -9.786 8.466 -4.014 1.00 0.00 O ATOM 569 CB LEU A 40 -7.095 10.317 -4.817 1.00 0.00 C ATOM 570 CG LEU A 40 -7.003 9.179 -5.838 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.115 9.583 -7.005 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.469 7.914 -5.180 1.00 0.00 C ATOM 0 H LEU A 40 -7.442 11.932 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.204 10.757 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.873 11.256 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.320 10.171 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.004 8.975 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.060 8.763 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.533 10.464 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.114 9.812 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.410 7.116 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.476 8.106 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.138 7.613 -4.374 1.00 0.00 H new ATOM 584 N GLN A 41 -8.204 8.711 -2.433 1.00 0.00 N ATOM 585 CA GLN A 41 -8.505 7.444 -1.772 1.00 0.00 C ATOM 586 C GLN A 41 -9.969 7.366 -1.348 1.00 0.00 C ATOM 587 O GLN A 41 -10.648 6.375 -1.615 1.00 0.00 O ATOM 588 CB GLN A 41 -7.601 7.258 -0.551 1.00 0.00 C ATOM 589 CG GLN A 41 -7.780 5.917 0.143 1.00 0.00 C ATOM 590 CD GLN A 41 -6.912 5.775 1.380 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.656 6.889 2.058 1.00 0.00 O flip ATOM 592 NE2 GLN A 41 -6.478 4.676 1.723 1.00 0.00 N flip ATOM 0 H GLN A 41 -7.450 9.243 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.318 6.644 -2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.561 7.361 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.801 8.057 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.826 5.795 0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.541 5.116 -0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.699 3.846 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.897 4.595 2.557 1.00 0.00 H new ATOM 601 N ARG A 42 -10.449 8.414 -0.688 1.00 0.00 N ATOM 602 CA ARG A 42 -11.830 8.457 -0.216 1.00 0.00 C ATOM 603 C ARG A 42 -12.822 8.517 -1.377 1.00 0.00 C ATOM 604 O ARG A 42 -13.930 7.990 -1.281 1.00 0.00 O ATOM 605 CB ARG A 42 -12.036 9.658 0.707 1.00 0.00 C ATOM 606 CG ARG A 42 -11.185 9.605 1.967 1.00 0.00 C ATOM 607 CD ARG A 42 -11.350 10.862 2.804 1.00 0.00 C ATOM 608 NE ARG A 42 -11.026 12.069 2.049 1.00 0.00 N ATOM 609 CZ ARG A 42 -10.852 13.263 2.606 1.00 0.00 C ATOM 610 NH1 ARG A 42 -10.959 13.408 3.919 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.567 14.314 1.849 1.00 0.00 N ATOM 0 H ARG A 42 -9.902 9.246 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.017 7.537 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.804 10.572 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.087 9.713 0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.464 8.733 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.137 9.483 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.377 10.925 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.707 10.800 3.682 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.928 11.991 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.175 12.602 4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.825 14.326 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.481 14.206 0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.434 15.230 2.277 1.00 0.00 H new ATOM 625 N ASN A 43 -12.420 9.160 -2.468 1.00 0.00 N ATOM 626 CA ASN A 43 -13.284 9.290 -3.638 1.00 0.00 C ATOM 627 C ASN A 43 -13.650 7.926 -4.217 1.00 0.00 C ATOM 628 O ASN A 43 -14.817 7.660 -4.507 1.00 0.00 O ATOM 629 CB ASN A 43 -12.606 10.146 -4.710 1.00 0.00 C ATOM 630 CG ASN A 43 -12.608 11.622 -4.365 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.502 12.109 -3.674 1.00 0.00 O ATOM 632 ND2 ASN A 43 -11.603 12.343 -4.850 1.00 0.00 N ATOM 0 H ASN A 43 -11.504 9.598 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.203 9.779 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.578 9.809 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.115 9.999 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.551 13.343 -4.654 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.883 11.897 -5.419 1.00 0.00 H new ATOM 639 N PHE A 44 -12.650 7.065 -4.383 1.00 0.00 N ATOM 640 CA PHE A 44 -12.875 5.731 -4.934 1.00 0.00 C ATOM 641 C PHE A 44 -13.497 4.798 -3.903 1.00 0.00 C ATOM 642 O PHE A 44 -14.414 4.040 -4.217 1.00 0.00 O ATOM 643 CB PHE A 44 -11.562 5.142 -5.453 1.00 0.00 C ATOM 644 CG PHE A 44 -11.124 5.726 -6.764 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.349 6.874 -6.804 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.492 5.130 -7.959 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.950 7.416 -8.011 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.097 5.667 -9.169 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.324 6.811 -9.195 1.00 0.00 C ATOM 0 H PHE A 44 -11.679 7.266 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.576 5.829 -5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.780 5.306 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.675 4.064 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.053 7.351 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.095 4.234 -7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.347 8.311 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.392 5.193 -10.093 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.012 7.232 -10.140 1.00 0.00 H new ATOM 659 N MET A 45 -12.999 4.854 -2.672 1.00 0.00 N ATOM 660 CA MET A 45 -13.516 4.007 -1.601 1.00 0.00 C ATOM 661 C MET A 45 -15.008 4.243 -1.390 1.00 0.00 C ATOM 662 O MET A 45 -15.717 3.373 -0.884 1.00 0.00 O ATOM 663 CB MET A 45 -12.756 4.259 -0.298 1.00 0.00 C ATOM 664 CG MET A 45 -11.346 3.691 -0.298 1.00 0.00 C ATOM 665 SD MET A 45 -10.528 3.855 1.301 1.00 0.00 S ATOM 666 CE MET A 45 -11.617 2.885 2.341 1.00 0.00 C ATOM 0 H MET A 45 -12.240 5.475 -2.391 1.00 0.00 H new ATOM 0 HA MET A 45 -13.369 2.968 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.706 5.333 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.315 3.822 0.530 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.383 2.638 -0.576 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.754 4.200 -1.058 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.067 2.532 3.213 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.455 3.502 2.665 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.992 2.030 1.778 1.00 0.00 H new ATOM 676 N ASP A 46 -15.476 5.425 -1.777 1.00 0.00 N ATOM 677 CA ASP A 46 -16.884 5.775 -1.634 1.00 0.00 C ATOM 678 C ASP A 46 -17.760 4.876 -2.504 1.00 0.00 C ATOM 679 O ASP A 46 -18.906 4.590 -2.161 1.00 0.00 O ATOM 680 CB ASP A 46 -17.106 7.243 -2.006 1.00 0.00 C ATOM 681 CG ASP A 46 -18.553 7.668 -1.849 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.329 7.499 -2.812 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.910 8.171 -0.763 1.00 0.00 O ATOM 0 H ASP A 46 -14.900 6.157 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.167 5.626 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.475 7.873 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.793 7.405 -3.037 1.00 0.00 H new ATOM 688 N LYS A 47 -17.212 4.439 -3.633 1.00 0.00 N ATOM 689 CA LYS A 47 -17.939 3.573 -4.556 1.00 0.00 C ATOM 690 C LYS A 47 -17.648 2.103 -4.258 1.00 0.00 C ATOM 691 O LYS A 47 -18.543 1.256 -4.302 1.00 0.00 O ATOM 692 CB LYS A 47 -17.548 3.906 -6.001 1.00 0.00 C ATOM 693 CG LYS A 47 -18.630 3.596 -7.027 1.00 0.00 C ATOM 694 CD LYS A 47 -18.754 2.104 -7.287 1.00 0.00 C ATOM 695 CE LYS A 47 -19.744 1.815 -8.404 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.104 2.335 -8.089 1.00 0.00 N ATOM 0 H LYS A 47 -16.265 4.671 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.007 3.745 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.297 4.965 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.647 3.349 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.586 3.984 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.402 4.110 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.778 1.697 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.075 1.600 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.388 2.266 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.797 0.740 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.784 1.975 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.385 2.019 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.094 3.374 -8.120 1.00 0.00 H new ATOM 710 N TYR A 48 -16.389 1.810 -3.947 1.00 0.00 N ATOM 711 CA TYR A 48 -15.966 0.446 -3.646 1.00 0.00 C ATOM 712 C TYR A 48 -16.727 -0.131 -2.452 1.00 0.00 C ATOM 713 O TYR A 48 -17.296 -1.218 -2.540 1.00 0.00 O ATOM 714 CB TYR A 48 -14.461 0.405 -3.365 1.00 0.00 C ATOM 715 CG TYR A 48 -13.594 0.409 -4.609 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.749 1.381 -5.591 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.614 -0.557 -4.793 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.953 1.387 -6.722 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.814 -0.559 -5.921 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.987 0.416 -6.882 1.00 0.00 C ATOM 721 OH TYR A 48 -11.192 0.420 -8.004 1.00 0.00 O ATOM 0 H TYR A 48 -15.641 2.502 -3.897 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.191 -0.165 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.195 1.263 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.236 -0.488 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.503 2.144 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.474 -1.320 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.087 2.148 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.058 -1.320 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.654 0.888 -8.731 1.00 0.00 H new ATOM 731 N TYR A 49 -16.737 0.600 -1.339 1.00 0.00 N ATOM 732 CA TYR A 49 -17.417 0.140 -0.128 1.00 0.00 C ATOM 733 C TYR A 49 -18.908 -0.094 -0.377 1.00 0.00 C ATOM 734 O TYR A 49 -19.574 -0.771 0.405 1.00 0.00 O ATOM 735 CB TYR A 49 -17.211 1.138 1.020 1.00 0.00 C ATOM 736 CG TYR A 49 -18.400 2.034 1.297 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.640 3.162 0.525 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.279 1.750 2.335 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.725 3.982 0.778 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.365 2.564 2.594 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.583 3.678 1.813 1.00 0.00 C ATOM 742 OH TYR A 49 -21.663 4.493 2.068 1.00 0.00 O ATOM 0 H TYR A 49 -16.284 1.510 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.975 -0.815 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.971 0.584 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.348 1.763 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.969 3.403 -0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.110 0.878 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.899 4.856 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.039 2.328 3.404 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.168 4.138 2.829 1.00 0.00 H new ATOM 752 N LEU A 50 -19.425 0.469 -1.465 1.00 0.00 N ATOM 753 CA LEU A 50 -20.835 0.309 -1.805 1.00 0.00 C ATOM 754 C LEU A 50 -21.085 -1.045 -2.459 1.00 0.00 C ATOM 755 O LEU A 50 -22.022 -1.756 -2.096 1.00 0.00 O ATOM 756 CB LEU A 50 -21.296 1.431 -2.740 1.00 0.00 C ATOM 757 CG LEU A 50 -21.467 2.801 -2.081 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.797 3.856 -3.126 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.551 2.750 -1.014 1.00 0.00 C ATOM 0 H LEU A 50 -18.892 1.037 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.410 0.362 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.575 1.524 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.246 1.141 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.526 3.072 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.915 4.825 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.988 3.912 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.724 3.589 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.658 3.734 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.497 2.457 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.276 2.023 -0.250 1.00 0.00 H new ATOM 771 N GLU A 51 -20.242 -1.395 -3.424 1.00 0.00 N ATOM 772 CA GLU A 51 -20.375 -2.667 -4.129 1.00 0.00 C ATOM 773 C GLU A 51 -20.061 -3.846 -3.209 1.00 0.00 C ATOM 774 O GLU A 51 -20.682 -4.904 -3.308 1.00 0.00 O ATOM 775 CB GLU A 51 -19.451 -2.698 -5.347 1.00 0.00 C ATOM 776 CG GLU A 51 -19.781 -1.644 -6.391 1.00 0.00 C ATOM 777 CD GLU A 51 -18.905 -1.749 -7.623 1.00 0.00 C ATOM 778 OE1 GLU A 51 -19.288 -2.479 -8.562 1.00 0.00 O ATOM 779 OE2 GLU A 51 -17.837 -1.104 -7.650 1.00 0.00 O ATOM 0 H GLU A 51 -19.461 -0.818 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.410 -2.758 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.422 -2.558 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.506 -3.684 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.826 -1.743 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.665 -0.653 -5.951 1.00 0.00 H new ATOM 786 N PHE A 52 -19.097 -3.655 -2.313 1.00 0.00 N ATOM 787 CA PHE A 52 -18.701 -4.709 -1.385 1.00 0.00 C ATOM 788 C PHE A 52 -19.768 -4.940 -0.319 1.00 0.00 C ATOM 789 O PHE A 52 -19.760 -4.301 0.734 1.00 0.00 O ATOM 790 CB PHE A 52 -17.365 -4.361 -0.725 1.00 0.00 C ATOM 791 CG PHE A 52 -16.170 -4.718 -1.564 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.887 -4.020 -2.727 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.328 -5.752 -1.186 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.787 -4.348 -3.498 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.227 -6.084 -1.953 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.957 -5.380 -3.110 1.00 0.00 C ATOM 0 H PHE A 52 -18.577 -2.783 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.588 -5.631 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.342 -3.293 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.295 -4.879 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.533 -3.211 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.535 -6.305 -0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.578 -3.797 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.579 -6.892 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.097 -5.637 -3.711 1.00 0.00 H new ATOM 806 N GLU A 53 -20.690 -5.855 -0.605 1.00 0.00 N ATOM 807 CA GLU A 53 -21.765 -6.182 0.327 1.00 0.00 C ATOM 808 C GLU A 53 -21.304 -7.222 1.345 1.00 0.00 C ATOM 809 O GLU A 53 -20.595 -8.167 1.003 1.00 0.00 O ATOM 810 CB GLU A 53 -22.986 -6.705 -0.433 1.00 0.00 C ATOM 811 CG GLU A 53 -23.598 -5.685 -1.379 1.00 0.00 C ATOM 812 CD GLU A 53 -24.149 -4.474 -0.652 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.292 -4.550 -0.154 1.00 0.00 O ATOM 814 OE2 GLU A 53 -23.438 -3.450 -0.580 1.00 0.00 O ATOM 0 H GLU A 53 -20.714 -6.384 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.039 -5.272 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.698 -7.589 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.742 -7.021 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.844 -5.362 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.398 -6.157 -1.949 1.00 0.00 H new ATOM 821 N ASP A 54 -21.714 -7.040 2.597 1.00 0.00 N ATOM 822 CA ASP A 54 -21.349 -7.955 3.665 1.00 0.00 C ATOM 823 C ASP A 54 -22.166 -9.243 3.594 1.00 0.00 C ATOM 824 O ASP A 54 -23.127 -9.424 4.343 1.00 0.00 O ATOM 825 CB ASP A 54 -21.554 -7.273 5.015 1.00 0.00 C ATOM 826 CG ASP A 54 -22.899 -6.581 5.118 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.004 -5.418 4.673 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.848 -7.200 5.644 1.00 0.00 O ATOM 0 H ASP A 54 -22.302 -6.262 2.894 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.298 -8.221 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.469 -8.014 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.760 -6.543 5.174 1.00 0.00 H new ATOM 833 N THR A 55 -21.782 -10.133 2.683 1.00 0.00 N ATOM 834 CA THR A 55 -22.477 -11.405 2.514 1.00 0.00 C ATOM 835 C THR A 55 -21.503 -12.521 2.149 1.00 0.00 C ATOM 836 O THR A 55 -20.301 -12.291 2.015 1.00 0.00 O ATOM 837 CB THR A 55 -23.562 -11.317 1.424 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.996 -10.818 0.207 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.704 -10.414 1.863 1.00 0.00 C ATOM 0 H THR A 55 -20.993 -9.997 2.051 1.00 0.00 H new ATOM 0 HA THR A 55 -22.949 -11.632 3.470 1.00 0.00 H new ATOM 0 HB THR A 55 -23.957 -12.319 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.692 -10.767 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.456 -10.369 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.154 -10.813 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.322 -9.412 2.057 1.00 0.00 H new ATOM 847 N GLU A 56 -22.033 -13.731 1.989 1.00 0.00 N ATOM 848 CA GLU A 56 -21.214 -14.886 1.639 1.00 0.00 C ATOM 849 C GLU A 56 -21.139 -15.059 0.124 1.00 0.00 C ATOM 850 O GLU A 56 -20.168 -15.603 -0.399 1.00 0.00 O ATOM 851 CB GLU A 56 -21.783 -16.155 2.280 1.00 0.00 C ATOM 852 CG GLU A 56 -21.796 -16.117 3.799 1.00 0.00 C ATOM 853 CD GLU A 56 -20.403 -16.024 4.392 1.00 0.00 C ATOM 854 OE1 GLU A 56 -19.888 -14.894 4.525 1.00 0.00 O ATOM 855 OE2 GLU A 56 -19.828 -17.082 4.724 1.00 0.00 O ATOM 0 H GLU A 56 -23.026 -13.936 2.096 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.207 -14.715 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.800 -16.309 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.196 -17.012 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.387 -15.264 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.289 -17.013 4.177 1.00 0.00 H new ATOM 862 N GLU A 57 -22.170 -14.593 -0.572 1.00 0.00 N ATOM 863 CA GLU A 57 -22.221 -14.695 -2.025 1.00 0.00 C ATOM 864 C GLU A 57 -21.164 -13.806 -2.669 1.00 0.00 C ATOM 865 O GLU A 57 -20.754 -12.796 -2.096 1.00 0.00 O ATOM 866 CB GLU A 57 -23.609 -14.307 -2.537 1.00 0.00 C ATOM 867 CG GLU A 57 -24.715 -15.237 -2.065 1.00 0.00 C ATOM 868 CD GLU A 57 -26.084 -14.816 -2.566 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.431 -15.168 -3.713 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.809 -14.137 -1.809 1.00 0.00 O ATOM 0 H GLU A 57 -22.982 -14.141 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.017 -15.730 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.836 -13.292 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.595 -14.297 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.503 -16.250 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.723 -15.263 -0.975 1.00 0.00 H new ATOM 877 N ASN A 58 -20.726 -14.186 -3.866 1.00 0.00 N ATOM 878 CA ASN A 58 -19.718 -13.422 -4.590 1.00 0.00 C ATOM 879 C ASN A 58 -20.066 -13.322 -6.071 1.00 0.00 C ATOM 880 O ASN A 58 -20.915 -14.060 -6.570 1.00 0.00 O ATOM 881 CB ASN A 58 -18.338 -14.062 -4.415 1.00 0.00 C ATOM 882 CG ASN A 58 -18.331 -15.539 -4.760 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.095 -15.994 -5.611 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.467 -16.297 -4.095 1.00 0.00 N ATOM 0 H ASN A 58 -21.054 -15.019 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.697 -12.414 -4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.618 -13.542 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.010 -13.932 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.418 -17.299 -4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.852 -15.878 -3.398 1.00 0.00 H new ATOM 891 N LYS A 59 -19.406 -12.401 -6.766 1.00 0.00 N ATOM 892 CA LYS A 59 -19.645 -12.200 -8.190 1.00 0.00 C ATOM 893 C LYS A 59 -18.327 -12.073 -8.947 1.00 0.00 C ATOM 894 O LYS A 59 -17.259 -11.974 -8.343 1.00 0.00 O ATOM 895 CB LYS A 59 -20.499 -10.950 -8.413 1.00 0.00 C ATOM 896 CG LYS A 59 -21.832 -10.983 -7.677 1.00 0.00 C ATOM 897 CD LYS A 59 -22.637 -9.711 -7.907 1.00 0.00 C ATOM 898 CE LYS A 59 -23.076 -9.578 -9.358 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.901 -8.356 -9.578 1.00 0.00 N ATOM 0 H LYS A 59 -18.701 -11.782 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.181 -13.069 -8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.937 -10.074 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.686 -10.833 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.410 -11.844 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.655 -11.113 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.514 -9.713 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.037 -8.845 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.197 -9.544 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.648 -10.460 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.180 -8.301 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.753 -8.400 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.346 -7.513 -9.327 1.00 0.00 H new ATOM 913 N LEU A 60 -18.409 -12.082 -10.274 1.00 0.00 N ATOM 914 CA LEU A 60 -17.222 -11.969 -11.115 1.00 0.00 C ATOM 915 C LEU A 60 -16.771 -10.516 -11.231 1.00 0.00 C ATOM 916 O LEU A 60 -15.655 -10.235 -11.668 1.00 0.00 O ATOM 917 CB LEU A 60 -17.503 -12.544 -12.506 1.00 0.00 C ATOM 918 CG LEU A 60 -16.297 -12.589 -13.450 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.220 -13.512 -12.902 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.727 -13.035 -14.840 1.00 0.00 C ATOM 0 H LEU A 60 -19.285 -12.166 -10.790 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.420 -12.540 -10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.892 -13.556 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.289 -11.951 -12.974 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.880 -11.585 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.373 -13.530 -13.587 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.891 -13.150 -11.928 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.623 -14.519 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.859 -13.062 -15.498 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.169 -14.030 -14.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.461 -12.334 -15.236 1.00 0.00 H new ATOM 932 N ILE A 61 -17.645 -9.594 -10.836 1.00 0.00 N ATOM 933 CA ILE A 61 -17.337 -8.169 -10.900 1.00 0.00 C ATOM 934 C ILE A 61 -16.205 -7.809 -9.939 1.00 0.00 C ATOM 935 O ILE A 61 -15.621 -6.728 -10.024 1.00 0.00 O ATOM 936 CB ILE A 61 -18.582 -7.314 -10.573 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.316 -5.836 -10.871 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.993 -7.502 -9.120 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.085 -5.543 -12.338 1.00 0.00 C ATOM 0 H ILE A 61 -18.572 -9.809 -10.468 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.019 -7.953 -11.920 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.403 -7.648 -11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.163 -5.246 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.444 -5.511 -10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.871 -6.892 -8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.228 -8.551 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.174 -7.198 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.903 -4.477 -12.472 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.220 -6.105 -12.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.965 -5.836 -12.910 1.00 0.00 H new ATOM 951 N TYR A 62 -15.890 -8.729 -9.034 1.00 0.00 N ATOM 952 CA TYR A 62 -14.827 -8.508 -8.060 1.00 0.00 C ATOM 953 C TYR A 62 -13.452 -8.575 -8.718 1.00 0.00 C ATOM 954 O TYR A 62 -12.467 -8.085 -8.165 1.00 0.00 O ATOM 955 CB TYR A 62 -14.919 -9.535 -6.931 1.00 0.00 C ATOM 956 CG TYR A 62 -16.044 -9.264 -5.958 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.354 -9.609 -6.264 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.794 -8.661 -4.731 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.385 -9.359 -5.378 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.819 -8.409 -3.838 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.112 -8.760 -4.166 1.00 0.00 C ATOM 962 OH TYR A 62 -19.135 -8.509 -3.281 1.00 0.00 O ATOM 0 H TYR A 62 -16.355 -9.634 -8.954 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.956 -7.509 -7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.054 -10.527 -7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.975 -9.550 -6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.571 -10.081 -7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.783 -8.385 -4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.398 -9.631 -5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.608 -7.940 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.774 -8.084 -2.475 1.00 0.00 H new ATOM 972 N THR A 63 -13.389 -9.181 -9.900 1.00 0.00 N ATOM 973 CA THR A 63 -12.127 -9.306 -10.624 1.00 0.00 C ATOM 974 C THR A 63 -11.695 -7.967 -11.233 1.00 0.00 C ATOM 975 O THR A 63 -10.569 -7.524 -11.010 1.00 0.00 O ATOM 976 CB THR A 63 -12.207 -10.381 -11.729 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.498 -11.658 -11.151 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.900 -10.460 -12.508 1.00 0.00 C ATOM 0 H THR A 63 -14.193 -9.592 -10.375 1.00 0.00 H new ATOM 0 HA THR A 63 -11.378 -9.616 -9.895 1.00 0.00 H new ATOM 0 HB THR A 63 -13.005 -10.101 -12.416 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.549 -12.334 -11.859 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.982 -11.225 -13.280 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.694 -9.496 -12.973 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.087 -10.716 -11.829 1.00 0.00 H new ATOM 986 N PRO A 64 -12.576 -7.295 -12.011 1.00 0.00 N ATOM 987 CA PRO A 64 -12.246 -6.002 -12.619 1.00 0.00 C ATOM 988 C PRO A 64 -12.062 -4.907 -11.574 1.00 0.00 C ATOM 989 O PRO A 64 -11.152 -4.085 -11.681 1.00 0.00 O ATOM 990 CB PRO A 64 -13.454 -5.697 -13.510 1.00 0.00 C ATOM 991 CG PRO A 64 -14.568 -6.490 -12.923 1.00 0.00 C ATOM 992 CD PRO A 64 -13.937 -7.737 -12.373 1.00 0.00 C ATOM 0 HA PRO A 64 -11.304 -6.039 -13.166 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.685 -4.632 -13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.266 -5.985 -14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.076 -5.930 -12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.317 -6.731 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.481 -8.115 -11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.917 -8.538 -13.112 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.929 -4.900 -10.562 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.846 -3.903 -9.498 1.00 0.00 C ATOM 1002 C ILE A 65 -11.509 -4.000 -8.769 1.00 0.00 C ATOM 1003 O ILE A 65 -10.874 -2.985 -8.481 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.993 -4.060 -8.479 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.346 -3.844 -9.163 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.814 -3.081 -7.324 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.533 -4.101 -8.258 1.00 0.00 C ATOM 0 H ILE A 65 -13.692 -5.569 -10.458 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.933 -2.925 -9.971 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.967 -5.073 -8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.397 -2.820 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.413 -4.500 -10.031 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.631 -3.204 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.866 -3.278 -6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.817 -2.061 -7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.456 -3.928 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.507 -5.133 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.491 -3.427 -7.402 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.089 -5.227 -8.471 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.826 -5.454 -7.777 1.00 0.00 C ATOM 1021 C PHE A 66 -8.654 -4.946 -8.613 1.00 0.00 C ATOM 1022 O PHE A 66 -7.733 -4.320 -8.089 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.647 -6.943 -7.470 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.425 -7.246 -6.649 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.456 -7.125 -5.269 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.247 -7.651 -7.256 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.336 -7.402 -4.510 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.122 -7.928 -6.502 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.166 -7.804 -5.127 1.00 0.00 C ATOM 0 H PHE A 66 -11.604 -6.077 -8.699 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.848 -4.901 -6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.529 -7.305 -6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.590 -7.494 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.367 -6.810 -4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.207 -7.751 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.374 -7.305 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.210 -8.241 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.289 -8.021 -4.535 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.696 -5.221 -9.914 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.640 -4.786 -10.821 1.00 0.00 C ATOM 1041 C ASN A 67 -7.617 -3.266 -10.926 1.00 0.00 C ATOM 1042 O ASN A 67 -6.577 -2.668 -11.205 1.00 0.00 O ATOM 1043 CB ASN A 67 -7.841 -5.399 -12.208 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.887 -6.914 -12.170 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.251 -7.545 -11.326 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.643 -7.504 -13.088 1.00 0.00 N ATOM 0 H ASN A 67 -9.449 -5.742 -10.362 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.685 -5.125 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.768 -5.021 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.032 -5.079 -12.864 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.714 -8.521 -13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.153 -6.940 -13.768 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.772 -2.648 -10.699 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.888 -1.197 -10.765 1.00 0.00 C ATOM 1055 C GLU A 68 -8.230 -0.548 -9.552 1.00 0.00 C ATOM 1056 O GLU A 68 -7.668 0.541 -9.648 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.361 -0.787 -10.845 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.567 0.706 -11.036 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.031 1.080 -11.159 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.565 1.029 -12.286 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.644 1.425 -10.125 1.00 0.00 O ATOM 0 H GLU A 68 -9.640 -3.130 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.375 -0.853 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.833 -1.319 -11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.867 -1.101 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.129 1.241 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.036 1.031 -11.931 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.308 -1.225 -8.412 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.714 -0.722 -7.179 1.00 0.00 C ATOM 1070 C TYR A 69 -6.192 -0.778 -7.259 1.00 0.00 C ATOM 1071 O TYR A 69 -5.500 0.138 -6.818 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.203 -1.542 -5.984 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.855 -0.935 -4.643 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.606 0.107 -4.116 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.780 -1.409 -3.901 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.296 0.661 -2.888 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.462 -0.860 -2.673 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.224 0.175 -2.170 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.911 0.724 -0.948 1.00 0.00 O ATOM 0 H TYR A 69 -8.778 -2.125 -8.316 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.020 0.316 -7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.285 -1.655 -6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.774 -2.542 -6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.447 0.491 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.183 -2.220 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.891 1.471 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.622 -1.239 -2.110 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.129 0.266 -0.574 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.684 -1.864 -7.829 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.248 -2.056 -7.975 1.00 0.00 C ATOM 1091 C ILE A 70 -3.685 -1.150 -9.068 1.00 0.00 C ATOM 1092 O ILE A 70 -2.524 -0.744 -9.020 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.914 -3.524 -8.308 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.582 -4.465 -7.298 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.407 -3.740 -8.328 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.137 -4.244 -5.866 1.00 0.00 C ATOM 0 H ILE A 70 -6.249 -2.628 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.788 -1.796 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.303 -3.751 -9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.663 -4.337 -7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.368 -5.496 -7.580 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.192 -4.782 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.957 -3.096 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.992 -3.497 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.653 -4.947 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.061 -4.402 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.376 -3.224 -5.564 1.00 0.00 H new ATOM 1108 N SER A 71 -4.515 -0.840 -10.055 1.00 0.00 N ATOM 1109 CA SER A 71 -4.099 0.015 -11.159 1.00 0.00 C ATOM 1110 C SER A 71 -4.233 1.491 -10.797 1.00 0.00 C ATOM 1111 O SER A 71 -3.501 2.331 -11.315 1.00 0.00 O ATOM 1112 CB SER A 71 -4.930 -0.290 -12.406 1.00 0.00 C ATOM 1113 OG SER A 71 -4.527 0.519 -13.497 1.00 0.00 O ATOM 0 H SER A 71 -5.479 -1.167 -10.114 1.00 0.00 H new ATOM 0 HA SER A 71 -3.049 -0.193 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.823 -1.342 -12.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.986 -0.121 -12.194 1.00 0.00 H new ATOM 0 HG SER A 71 -5.072 0.304 -14.283 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.188 1.809 -9.928 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.404 3.192 -9.517 1.00 0.00 C ATOM 1121 C LEU A 72 -4.594 3.552 -8.268 1.00 0.00 C ATOM 1122 O LEU A 72 -3.707 4.403 -8.319 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.900 3.439 -9.270 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.332 4.906 -9.126 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.986 5.444 -7.746 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.698 5.770 -10.208 1.00 0.00 C ATOM 0 H LEU A 72 -5.820 1.134 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.058 3.835 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.461 2.996 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.190 2.906 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.415 4.946 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.303 6.484 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.498 4.853 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.909 5.380 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.020 6.804 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.612 5.716 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.007 5.409 -11.189 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.898 2.889 -7.154 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.224 3.164 -5.884 1.00 0.00 C ATOM 1140 C VAL A 73 -2.798 2.617 -5.836 1.00 0.00 C ATOM 1141 O VAL A 73 -1.841 3.381 -5.699 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.018 2.590 -4.696 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.378 2.989 -3.374 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.466 3.053 -4.753 1.00 0.00 C ATOM 0 H VAL A 73 -5.607 2.157 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.173 4.250 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.000 1.502 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.956 2.572 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.359 2.605 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.360 4.076 -3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.014 2.639 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.502 4.142 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.921 2.711 -5.682 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.659 1.297 -5.945 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.344 0.659 -5.891 1.00 0.00 C ATOM 1156 C GLU A 74 -0.381 1.282 -6.896 1.00 0.00 C ATOM 1157 O GLU A 74 0.782 1.537 -6.578 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.468 -0.846 -6.139 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.133 -1.558 -6.307 1.00 0.00 C ATOM 1160 CD GLU A 74 0.717 -1.519 -5.051 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.317 -0.460 -4.772 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.784 -2.550 -4.350 1.00 0.00 O ATOM 0 H GLU A 74 -3.437 0.650 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.938 0.820 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.007 -1.298 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.070 -1.008 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.313 -2.596 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.418 -1.098 -7.127 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.866 1.529 -8.107 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.036 2.122 -9.148 1.00 0.00 C ATOM 1171 C LYS A 75 0.327 3.560 -8.791 1.00 0.00 C ATOM 1172 O LYS A 75 1.427 4.022 -9.090 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.758 2.084 -10.495 1.00 0.00 C ATOM 1174 CG LYS A 75 0.148 2.370 -11.681 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.639 2.416 -12.982 1.00 0.00 C ATOM 1176 CE LYS A 75 0.276 2.606 -14.182 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.054 3.871 -14.093 1.00 0.00 N ATOM 0 H LYS A 75 -1.825 1.329 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 75 0.882 1.539 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.214 1.103 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.568 2.813 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.659 3.321 -11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.918 1.601 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.206 1.492 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.362 3.231 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.962 1.762 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.319 2.610 -15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.018 4.366 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.646 4.478 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.043 3.654 -13.855 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.606 4.262 -8.150 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.377 5.647 -7.748 1.00 0.00 C ATOM 1193 C TYR A 76 0.846 5.755 -6.840 1.00 0.00 C ATOM 1194 O TYR A 76 1.725 6.587 -7.066 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.610 6.204 -7.033 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.477 7.656 -6.629 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.463 8.667 -7.583 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.368 8.016 -5.291 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.344 9.993 -7.215 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.247 9.341 -4.917 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.236 10.325 -5.882 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.118 11.644 -5.512 1.00 0.00 O ATOM 0 H TYR A 76 -1.524 3.895 -7.899 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.192 6.234 -8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.477 6.096 -7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.804 5.605 -6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.547 8.411 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.378 7.248 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.336 10.766 -7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.161 9.604 -3.873 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.188 12.214 -6.306 1.00 0.00 H new ATOM 1212 N ILE A 77 0.897 4.909 -5.814 1.00 0.00 N ATOM 1213 CA ILE A 77 2.014 4.912 -4.874 1.00 0.00 C ATOM 1214 C ILE A 77 3.326 4.579 -5.579 1.00 0.00 C ATOM 1215 O ILE A 77 4.361 5.186 -5.307 1.00 0.00 O ATOM 1216 CB ILE A 77 1.794 3.903 -3.728 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.502 4.220 -2.971 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.984 3.908 -2.778 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.147 3.191 -1.919 1.00 0.00 C ATOM 0 H ILE A 77 0.179 4.214 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 77 2.069 5.917 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 77 1.702 2.907 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.600 5.195 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.318 4.295 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.812 3.191 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.886 3.633 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.107 4.904 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.780 3.482 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.016 2.218 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.949 3.132 -1.183 1.00 0.00 H new ATOM 1231 N GLU A 78 3.273 3.611 -6.490 1.00 0.00 N ATOM 1232 CA GLU A 78 4.456 3.187 -7.231 1.00 0.00 C ATOM 1233 C GLU A 78 5.034 4.327 -8.066 1.00 0.00 C ATOM 1234 O GLU A 78 6.233 4.600 -8.012 1.00 0.00 O ATOM 1235 CB GLU A 78 4.113 2.002 -8.134 1.00 0.00 C ATOM 1236 CG GLU A 78 5.310 1.437 -8.880 1.00 0.00 C ATOM 1237 CD GLU A 78 4.935 0.295 -9.803 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.864 -0.857 -9.325 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.710 0.551 -11.005 1.00 0.00 O ATOM 0 H GLU A 78 2.421 3.105 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 78 5.212 2.885 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.667 1.212 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.359 2.314 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.779 2.231 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.051 1.089 -8.160 1.00 0.00 H new ATOM 1246 N GLU A 79 4.175 4.990 -8.833 1.00 0.00 N ATOM 1247 CA GLU A 79 4.603 6.094 -9.689 1.00 0.00 C ATOM 1248 C GLU A 79 5.235 7.220 -8.876 1.00 0.00 C ATOM 1249 O GLU A 79 6.306 7.718 -9.221 1.00 0.00 O ATOM 1250 CB GLU A 79 3.414 6.634 -10.488 1.00 0.00 C ATOM 1251 CG GLU A 79 2.813 5.618 -11.446 1.00 0.00 C ATOM 1252 CD GLU A 79 3.789 5.176 -12.519 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.567 4.234 -12.261 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.775 5.771 -13.617 1.00 0.00 O ATOM 0 H GLU A 79 3.177 4.783 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 79 5.357 5.709 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.642 6.968 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.734 7.509 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.480 4.746 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.930 6.049 -11.919 1.00 0.00 H new ATOM 1261 N GLN A 80 4.571 7.613 -7.794 1.00 0.00 N ATOM 1262 CA GLN A 80 5.065 8.689 -6.939 1.00 0.00 C ATOM 1263 C GLN A 80 6.452 8.371 -6.386 1.00 0.00 C ATOM 1264 O GLN A 80 7.274 9.268 -6.200 1.00 0.00 O ATOM 1265 CB GLN A 80 4.092 8.936 -5.785 1.00 0.00 C ATOM 1266 CG GLN A 80 2.728 9.434 -6.234 1.00 0.00 C ATOM 1267 CD GLN A 80 2.799 10.786 -6.917 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.962 10.870 -8.135 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.678 11.852 -6.136 1.00 0.00 N ATOM 0 H GLN A 80 3.689 7.203 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 80 5.141 9.589 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.965 8.010 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.529 9.665 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.287 8.708 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.067 9.501 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.544 11.736 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.719 12.788 -6.540 1.00 0.00 H new ATOM 1278 N LEU A 81 6.709 7.094 -6.126 1.00 0.00 N ATOM 1279 CA LEU A 81 7.997 6.669 -5.587 1.00 0.00 C ATOM 1280 C LEU A 81 9.070 6.636 -6.670 1.00 0.00 C ATOM 1281 O LEU A 81 10.235 6.932 -6.407 1.00 0.00 O ATOM 1282 CB LEU A 81 7.872 5.291 -4.934 1.00 0.00 C ATOM 1283 CG LEU A 81 7.006 5.245 -3.673 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.807 3.808 -3.216 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.636 6.074 -2.562 1.00 0.00 C ATOM 0 H LEU A 81 6.044 6.336 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 81 8.298 7.397 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.459 4.596 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.871 4.933 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 81 6.031 5.670 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.189 3.794 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.314 3.240 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.775 3.358 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.006 6.030 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.624 5.677 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.729 7.110 -2.889 1.00 0.00 H new ATOM 1297 N LEU A 82 8.675 6.279 -7.888 1.00 0.00 N ATOM 1298 CA LEU A 82 9.613 6.205 -9.002 1.00 0.00 C ATOM 1299 C LEU A 82 10.080 7.596 -9.423 1.00 0.00 C ATOM 1300 O LEU A 82 11.150 7.748 -10.013 1.00 0.00 O ATOM 1301 CB LEU A 82 8.978 5.483 -10.193 1.00 0.00 C ATOM 1302 CG LEU A 82 8.682 3.997 -9.975 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.931 3.423 -11.166 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.972 3.224 -9.734 1.00 0.00 C ATOM 0 H LEU A 82 7.714 6.037 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 82 10.482 5.639 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.047 5.988 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.641 5.582 -11.053 1.00 0.00 H new ATOM 0 HG LEU A 82 8.052 3.898 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.729 2.366 -10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.989 3.956 -11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.536 3.535 -12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.741 2.170 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.627 3.330 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.472 3.618 -8.849 1.00 0.00 H new ATOM 1316 N GLN A 83 9.272 8.609 -9.119 1.00 0.00 N ATOM 1317 CA GLN A 83 9.611 9.986 -9.465 1.00 0.00 C ATOM 1318 C GLN A 83 10.863 10.444 -8.723 1.00 0.00 C ATOM 1319 O GLN A 83 11.511 11.413 -9.118 1.00 0.00 O ATOM 1320 CB GLN A 83 8.444 10.924 -9.150 1.00 0.00 C ATOM 1321 CG GLN A 83 7.236 10.710 -10.044 1.00 0.00 C ATOM 1322 CD GLN A 83 6.125 11.705 -9.775 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.960 12.181 -8.652 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.356 12.025 -10.809 1.00 0.00 N ATOM 0 H GLN A 83 8.380 8.502 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 83 9.812 10.021 -10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.146 10.784 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.781 11.956 -9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.543 10.788 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.856 9.699 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.529 11.606 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.592 12.690 -10.690 1.00 0.00 H new ATOM 1333 N ARG A 84 11.197 9.740 -7.645 1.00 0.00 N ATOM 1334 CA ARG A 84 12.374 10.072 -6.850 1.00 0.00 C ATOM 1335 C ARG A 84 13.399 8.944 -6.903 1.00 0.00 C ATOM 1336 O ARG A 84 14.605 9.182 -6.819 1.00 0.00 O ATOM 1337 CB ARG A 84 11.976 10.346 -5.398 1.00 0.00 C ATOM 1338 CG ARG A 84 13.154 10.667 -4.490 1.00 0.00 C ATOM 1339 CD ARG A 84 13.816 11.980 -4.876 1.00 0.00 C ATOM 1340 NE ARG A 84 15.022 12.234 -4.092 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.578 13.435 -3.959 1.00 0.00 C ATOM 1342 NH1 ARG A 84 15.031 14.493 -4.544 1.00 0.00 N ATOM 1343 NH2 ARG A 84 16.681 13.580 -3.237 1.00 0.00 N ATOM 0 H ARG A 84 10.669 8.937 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 84 12.824 10.971 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.273 11.179 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.452 9.475 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.813 10.721 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.885 9.861 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.070 11.961 -5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.110 12.798 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 84 15.463 11.445 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.181 14.387 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.460 15.412 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.104 12.770 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.107 14.501 -3.136 1.00 0.00 H new ATOM 1357 N ILE A 85 12.909 7.717 -7.043 1.00 0.00 N ATOM 1358 CA ILE A 85 13.777 6.547 -7.105 1.00 0.00 C ATOM 1359 C ILE A 85 13.447 5.687 -8.326 1.00 0.00 C ATOM 1360 O ILE A 85 12.589 4.807 -8.257 1.00 0.00 O ATOM 1361 CB ILE A 85 13.646 5.686 -5.832 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.824 6.550 -4.581 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.665 4.555 -5.850 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.432 5.849 -3.297 1.00 0.00 C ATOM 0 H ILE A 85 11.914 7.507 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 85 14.801 6.911 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 85 12.647 5.250 -5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.866 6.862 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.227 7.455 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.560 3.956 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.495 3.926 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.671 4.972 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.585 6.522 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.382 5.561 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.047 4.958 -3.166 1.00 0.00 H new ATOM 1376 N PRO A 86 14.119 5.937 -9.467 1.00 0.00 N ATOM 1377 CA PRO A 86 13.884 5.177 -10.700 1.00 0.00 C ATOM 1378 C PRO A 86 14.391 3.744 -10.604 1.00 0.00 C ATOM 1379 O PRO A 86 14.203 2.943 -11.519 1.00 0.00 O ATOM 1380 CB PRO A 86 14.674 5.954 -11.754 1.00 0.00 C ATOM 1381 CG PRO A 86 15.750 6.642 -10.987 1.00 0.00 C ATOM 1382 CD PRO A 86 15.152 6.976 -9.648 1.00 0.00 C ATOM 0 HA PRO A 86 12.821 5.087 -10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.090 5.287 -12.509 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.040 6.670 -12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.623 5.999 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.082 7.543 -11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.899 6.943 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.721 7.977 -9.639 1.00 0.00 H new ATOM 1390 N GLU A 87 15.035 3.428 -9.488 1.00 0.00 N ATOM 1391 CA GLU A 87 15.572 2.091 -9.264 1.00 0.00 C ATOM 1392 C GLU A 87 14.801 1.377 -8.158 1.00 0.00 C ATOM 1393 O GLU A 87 15.243 0.350 -7.642 1.00 0.00 O ATOM 1394 CB GLU A 87 17.055 2.166 -8.898 1.00 0.00 C ATOM 1395 CG GLU A 87 17.915 2.808 -9.975 1.00 0.00 C ATOM 1396 CD GLU A 87 19.380 2.870 -9.590 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.766 3.821 -8.878 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.141 1.969 -10.001 1.00 0.00 O ATOM 0 H GLU A 87 15.199 4.081 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 87 15.463 1.523 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.164 2.731 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.424 1.159 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.810 2.245 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.552 3.817 -10.172 1.00 0.00 H new ATOM 1405 N PHE A 88 13.643 1.926 -7.804 1.00 0.00 N ATOM 1406 CA PHE A 88 12.812 1.346 -6.757 1.00 0.00 C ATOM 1407 C PHE A 88 12.017 0.156 -7.284 1.00 0.00 C ATOM 1408 O PHE A 88 11.619 0.127 -8.448 1.00 0.00 O ATOM 1409 CB PHE A 88 11.856 2.397 -6.190 1.00 0.00 C ATOM 1410 CG PHE A 88 11.060 1.908 -5.012 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.649 1.795 -3.762 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.725 1.561 -5.154 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.921 1.344 -2.677 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.994 1.110 -4.072 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.592 1.002 -2.833 1.00 0.00 C ATOM 0 H PHE A 88 13.260 2.771 -8.227 1.00 0.00 H new ATOM 0 HA PHE A 88 13.472 0.997 -5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.429 3.275 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.170 2.715 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.688 2.062 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.252 1.644 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.391 1.259 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.955 0.842 -4.196 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.021 0.650 -1.986 1.00 0.00 H new ATOM 1425 N ASN A 89 11.795 -0.823 -6.412 1.00 0.00 N ATOM 1426 CA ASN A 89 11.040 -2.016 -6.771 1.00 0.00 C ATOM 1427 C ASN A 89 9.909 -2.246 -5.774 1.00 0.00 C ATOM 1428 O ASN A 89 10.124 -2.807 -4.701 1.00 0.00 O ATOM 1429 CB ASN A 89 11.960 -3.237 -6.810 1.00 0.00 C ATOM 1430 CG ASN A 89 13.089 -3.079 -7.809 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.162 -2.575 -7.477 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.853 -3.511 -9.043 1.00 0.00 N ATOM 0 H ASN A 89 12.129 -0.812 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 89 10.611 -1.868 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.378 -3.405 -5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.375 -4.121 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.576 -3.431 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.949 -3.922 -9.275 1.00 0.00 H new ATOM 1439 N MET A 90 8.709 -1.801 -6.134 1.00 0.00 N ATOM 1440 CA MET A 90 7.546 -1.950 -5.266 1.00 0.00 C ATOM 1441 C MET A 90 7.278 -3.419 -4.949 1.00 0.00 C ATOM 1442 O MET A 90 6.791 -3.750 -3.869 1.00 0.00 O ATOM 1443 CB MET A 90 6.312 -1.326 -5.923 1.00 0.00 C ATOM 1444 CG MET A 90 5.481 -0.479 -4.973 1.00 0.00 C ATOM 1445 SD MET A 90 4.922 -1.395 -3.525 1.00 0.00 S ATOM 1446 CE MET A 90 4.115 -0.094 -2.594 1.00 0.00 C ATOM 0 H MET A 90 8.517 -1.334 -7.020 1.00 0.00 H new ATOM 0 HA MET A 90 7.757 -1.432 -4.331 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.631 -0.709 -6.763 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.687 -2.120 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.070 0.379 -4.649 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.615 -0.088 -5.506 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.715 -0.504 -1.667 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.837 0.689 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.301 0.326 -3.185 1.00 0.00 H new ATOM 1456 N ALA A 91 7.603 -4.295 -5.895 1.00 0.00 N ATOM 1457 CA ALA A 91 7.391 -5.728 -5.712 1.00 0.00 C ATOM 1458 C ALA A 91 8.398 -6.316 -4.729 1.00 0.00 C ATOM 1459 O ALA A 91 8.023 -7.023 -3.792 1.00 0.00 O ATOM 1460 CB ALA A 91 7.477 -6.446 -7.051 1.00 0.00 C ATOM 0 H ALA A 91 8.013 -4.039 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 91 6.394 -5.871 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.317 -7.514 -6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.713 -6.055 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.462 -6.284 -7.488 1.00 0.00 H new ATOM 1466 N ALA A 92 9.675 -6.023 -4.947 1.00 0.00 N ATOM 1467 CA ALA A 92 10.733 -6.527 -4.079 1.00 0.00 C ATOM 1468 C ALA A 92 10.653 -5.894 -2.695 1.00 0.00 C ATOM 1469 O ALA A 92 11.091 -6.482 -1.704 1.00 0.00 O ATOM 1470 CB ALA A 92 12.096 -6.262 -4.701 1.00 0.00 C ATOM 0 H ALA A 92 10.003 -5.439 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 92 10.597 -7.603 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.877 -6.643 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.159 -6.763 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.230 -5.189 -4.840 1.00 0.00 H new ATOM 1476 N PHE A 93 10.089 -4.692 -2.634 1.00 0.00 N ATOM 1477 CA PHE A 93 9.953 -3.972 -1.373 1.00 0.00 C ATOM 1478 C PHE A 93 8.908 -4.628 -0.479 1.00 0.00 C ATOM 1479 O PHE A 93 9.141 -4.834 0.711 1.00 0.00 O ATOM 1480 CB PHE A 93 9.580 -2.511 -1.635 1.00 0.00 C ATOM 1481 CG PHE A 93 9.359 -1.712 -0.381 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.416 -1.414 0.464 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.091 -1.263 -0.048 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.213 -0.681 1.617 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.882 -0.530 1.104 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.944 -0.239 1.939 1.00 0.00 C ATOM 0 H PHE A 93 9.718 -4.196 -3.444 1.00 0.00 H new ATOM 0 HA PHE A 93 10.913 -4.007 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.371 -2.042 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.674 -2.479 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.410 -1.759 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.257 -1.489 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.045 -0.454 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.889 -0.185 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.783 0.333 2.841 1.00 0.00 H new ATOM 1496 N THR A 94 7.754 -4.953 -1.057 1.00 0.00 N ATOM 1497 CA THR A 94 6.674 -5.584 -0.305 1.00 0.00 C ATOM 1498 C THR A 94 7.095 -6.952 0.219 1.00 0.00 C ATOM 1499 O THR A 94 6.791 -7.312 1.357 1.00 0.00 O ATOM 1500 CB THR A 94 5.405 -5.744 -1.162 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.714 -6.444 -2.373 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.800 -4.388 -1.493 1.00 0.00 C ATOM 0 H THR A 94 7.544 -4.790 -2.042 1.00 0.00 H new ATOM 0 HA THR A 94 6.452 -4.927 0.536 1.00 0.00 H new ATOM 0 HB THR A 94 4.677 -6.318 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.685 -6.459 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.905 -4.527 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.537 -3.872 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.525 -3.792 -2.048 1.00 0.00 H new ATOM 1510 N THR A 95 7.796 -7.711 -0.619 1.00 0.00 N ATOM 1511 CA THR A 95 8.261 -9.040 -0.240 1.00 0.00 C ATOM 1512 C THR A 95 9.150 -8.974 0.997 1.00 0.00 C ATOM 1513 O THR A 95 8.964 -9.731 1.950 1.00 0.00 O ATOM 1514 CB THR A 95 9.040 -9.710 -1.388 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.227 -9.758 -2.566 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.471 -11.118 -1.007 1.00 0.00 C ATOM 0 H THR A 95 8.054 -7.428 -1.564 1.00 0.00 H new ATOM 0 HA THR A 95 7.377 -9.637 -0.017 1.00 0.00 H new ATOM 0 HB THR A 95 9.933 -9.117 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.165 -8.862 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.019 -11.568 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.113 -11.076 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.590 -11.721 -0.785 1.00 0.00 H new ATOM 1524 N THR A 96 10.118 -8.063 0.975 1.00 0.00 N ATOM 1525 CA THR A 96 11.034 -7.891 2.095 1.00 0.00 C ATOM 1526 C THR A 96 10.316 -7.278 3.294 1.00 0.00 C ATOM 1527 O THR A 96 10.673 -7.533 4.445 1.00 0.00 O ATOM 1528 CB THR A 96 12.229 -6.996 1.707 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.896 -7.541 0.562 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.216 -6.873 2.859 1.00 0.00 C ATOM 0 H THR A 96 10.288 -7.432 0.192 1.00 0.00 H new ATOM 0 HA THR A 96 11.405 -8.880 2.363 1.00 0.00 H new ATOM 0 HB THR A 96 11.846 -6.003 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.417 -7.278 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.049 -6.237 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.716 -6.433 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.592 -7.861 3.123 1.00 0.00 H new ATOM 1538 N LEU A 97 9.296 -6.474 3.010 1.00 0.00 N ATOM 1539 CA LEU A 97 8.517 -5.815 4.054 1.00 0.00 C ATOM 1540 C LEU A 97 7.851 -6.840 4.968 1.00 0.00 C ATOM 1541 O LEU A 97 7.739 -6.629 6.175 1.00 0.00 O ATOM 1542 CB LEU A 97 7.454 -4.908 3.426 1.00 0.00 C ATOM 1543 CG LEU A 97 7.171 -3.605 4.180 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.219 -2.726 3.383 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.599 -3.893 5.559 1.00 0.00 C ATOM 0 H LEU A 97 8.988 -6.262 2.061 1.00 0.00 H new ATOM 0 HA LEU A 97 9.197 -5.210 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.766 -4.660 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.524 -5.470 3.345 1.00 0.00 H new ATOM 0 HG LEU A 97 8.113 -3.072 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.028 -1.804 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.666 -2.487 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.279 -3.256 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.406 -2.953 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.667 -4.450 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.313 -4.483 6.133 1.00 0.00 H new ATOM 1557 N GLN A 98 7.408 -7.949 4.381 1.00 0.00 N ATOM 1558 CA GLN A 98 6.743 -9.005 5.137 1.00 0.00 C ATOM 1559 C GLN A 98 7.564 -9.417 6.354 1.00 0.00 C ATOM 1560 O GLN A 98 7.010 -9.744 7.404 1.00 0.00 O ATOM 1561 CB GLN A 98 6.488 -10.219 4.243 1.00 0.00 C ATOM 1562 CG GLN A 98 5.497 -9.949 3.122 1.00 0.00 C ATOM 1563 CD GLN A 98 5.222 -11.177 2.277 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.993 -11.344 1.209 1.00 0.00 O flip ATOM 1565 NE2 GLN A 98 4.323 -11.963 2.577 1.00 0.00 N flip ATOM 0 H GLN A 98 7.498 -8.139 3.383 1.00 0.00 H new ATOM 0 HA GLN A 98 5.789 -8.612 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.433 -10.547 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.116 -11.040 4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.561 -9.589 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.883 -9.153 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.755 -11.795 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.146 -12.782 1.995 1.00 0.00 H new ATOM 1574 N HIS A 99 8.883 -9.400 6.208 1.00 0.00 N ATOM 1575 CA HIS A 99 9.774 -9.761 7.305 1.00 0.00 C ATOM 1576 C HIS A 99 9.975 -8.571 8.235 1.00 0.00 C ATOM 1577 O HIS A 99 9.956 -8.710 9.460 1.00 0.00 O ATOM 1578 CB HIS A 99 11.123 -10.235 6.759 1.00 0.00 C ATOM 1579 CG HIS A 99 11.032 -11.492 5.951 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.406 -12.728 6.435 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.607 -11.700 4.681 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.217 -13.642 5.500 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.732 -13.044 4.427 1.00 0.00 N ATOM 0 H HIS A 99 9.359 -9.141 5.344 1.00 0.00 H new ATOM 0 HA HIS A 99 9.318 -10.575 7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.554 -9.446 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.807 -10.397 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.239 -10.950 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.424 -14.698 5.597 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.489 -13.506 3.551 1.00 0.00 H new ATOM 1592 N HIS A 100 10.144 -7.395 7.640 1.00 0.00 N ATOM 1593 CA HIS A 100 10.352 -6.175 8.408 1.00 0.00 C ATOM 1594 C HIS A 100 9.064 -5.743 9.096 1.00 0.00 C ATOM 1595 O HIS A 100 9.035 -4.740 9.809 1.00 0.00 O ATOM 1596 CB HIS A 100 10.869 -5.057 7.501 1.00 0.00 C ATOM 1597 CG HIS A 100 12.291 -5.247 7.076 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.868 -6.209 6.318 1.00 0.00 N flip ATOM 1599 CD2 HIS A 100 13.307 -4.386 7.435 1.00 0.00 C flip ATOM 1600 CE1 HIS A 100 14.207 -5.914 6.234 1.00 0.00 C flip ATOM 1601 NE2 HIS A 100 14.446 -4.809 6.916 1.00 0.00 N flip ATOM 0 H HIS A 100 10.141 -7.262 6.629 1.00 0.00 H new ATOM 0 HA HIS A 100 11.099 -6.378 9.175 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.237 -4.997 6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.778 -4.104 8.023 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.396 -7.005 5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.190 -3.503 8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.945 -6.492 5.697 1.00 0.00 H new ATOM 1610 N LYS A 101 8.000 -6.508 8.878 1.00 0.00 N ATOM 1611 CA LYS A 101 6.711 -6.216 9.487 1.00 0.00 C ATOM 1612 C LYS A 101 6.794 -6.388 10.999 1.00 0.00 C ATOM 1613 O LYS A 101 5.958 -5.872 11.741 1.00 0.00 O ATOM 1614 CB LYS A 101 5.630 -7.132 8.909 1.00 0.00 C ATOM 1615 CG LYS A 101 4.236 -6.851 9.451 1.00 0.00 C ATOM 1616 CD LYS A 101 3.197 -7.787 8.850 1.00 0.00 C ATOM 1617 CE LYS A 101 3.431 -9.231 9.267 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.418 -10.151 8.681 1.00 0.00 N ATOM 0 H LYS A 101 8.007 -7.336 8.283 1.00 0.00 H new ATOM 0 HA LYS A 101 6.446 -5.182 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.617 -7.024 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.892 -8.168 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.239 -6.959 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.963 -5.818 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.201 -7.475 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.226 -7.713 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.428 -9.542 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.401 -9.304 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.613 -11.125 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.469 -9.871 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.463 -10.101 7.643 1.00 0.00 H new ATOM 1632 N ASP A 102 7.816 -7.115 11.447 1.00 0.00 N ATOM 1633 CA ASP A 102 8.014 -7.357 12.871 1.00 0.00 C ATOM 1634 C ASP A 102 8.689 -6.164 13.541 1.00 0.00 C ATOM 1635 O ASP A 102 8.835 -6.129 14.763 1.00 0.00 O ATOM 1636 CB ASP A 102 8.856 -8.616 13.080 1.00 0.00 C ATOM 1637 CG ASP A 102 8.201 -9.852 12.496 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.307 -10.056 11.268 1.00 0.00 O ATOM 1639 OD2 ASP A 102 7.583 -10.617 13.265 1.00 0.00 O ATOM 0 H ASP A 102 8.517 -7.545 10.844 1.00 0.00 H new ATOM 0 HA ASP A 102 7.035 -7.499 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.835 -8.476 12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.022 -8.766 14.147 1.00 0.00 H new ATOM 1644 N GLU A 103 9.095 -5.186 12.735 1.00 0.00 N ATOM 1645 CA GLU A 103 9.755 -3.994 13.253 1.00 0.00 C ATOM 1646 C GLU A 103 8.960 -2.736 12.920 1.00 0.00 C ATOM 1647 O GLU A 103 8.530 -2.008 13.815 1.00 0.00 O ATOM 1648 CB GLU A 103 11.173 -3.881 12.687 1.00 0.00 C ATOM 1649 CG GLU A 103 11.939 -2.672 13.200 1.00 0.00 C ATOM 1650 CD GLU A 103 13.346 -2.593 12.642 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.519 -2.014 11.548 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.274 -3.110 13.298 1.00 0.00 O ATOM 0 H GLU A 103 8.978 -5.197 11.722 1.00 0.00 H new ATOM 0 HA GLU A 103 9.810 -4.087 14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.728 -4.785 12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.118 -3.831 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.396 -1.764 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.985 -2.711 14.288 1.00 0.00 H new ATOM 1659 N VAL A 104 8.772 -2.484 11.627 1.00 0.00 N ATOM 1660 CA VAL A 104 8.030 -1.311 11.175 1.00 0.00 C ATOM 1661 C VAL A 104 6.632 -1.282 11.786 1.00 0.00 C ATOM 1662 O VAL A 104 6.122 -2.308 12.239 1.00 0.00 O ATOM 1663 CB VAL A 104 7.914 -1.272 9.636 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.859 -2.252 9.142 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.606 0.139 9.158 1.00 0.00 C ATOM 0 H VAL A 104 9.123 -3.076 10.874 1.00 0.00 H new ATOM 0 HA VAL A 104 8.587 -0.435 11.506 1.00 0.00 H new ATOM 0 HB VAL A 104 8.874 -1.574 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.798 -2.204 8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.131 -3.263 9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.891 -1.992 9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.528 0.146 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.663 0.472 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.406 0.811 9.469 1.00 0.00 H new ATOM 1675 N ALA A 105 6.019 -0.103 11.799 1.00 0.00 N ATOM 1676 CA ALA A 105 4.682 0.051 12.354 1.00 0.00 C ATOM 1677 C ALA A 105 3.679 -0.819 11.607 1.00 0.00 C ATOM 1678 O ALA A 105 3.310 -0.524 10.469 1.00 0.00 O ATOM 1679 CB ALA A 105 4.257 1.511 12.306 1.00 0.00 C ATOM 0 H ALA A 105 6.427 0.757 11.432 1.00 0.00 H new ATOM 0 HA ALA A 105 4.704 -0.275 13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.255 1.612 12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.955 2.113 12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.255 1.856 11.272 1.00 0.00 H new ATOM 1685 N GLY A 106 3.242 -1.894 12.254 1.00 0.00 N ATOM 1686 CA GLY A 106 2.283 -2.793 11.640 1.00 0.00 C ATOM 1687 C GLY A 106 0.941 -2.131 11.410 1.00 0.00 C ATOM 1688 O GLY A 106 0.224 -2.473 10.470 1.00 0.00 O ATOM 0 H GLY A 106 3.535 -2.159 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.679 -3.148 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.150 -3.668 12.276 1.00 0.00 H new ATOM 1692 N ASP A 107 0.601 -1.181 12.275 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.665 -0.465 12.173 1.00 0.00 C ATOM 1694 C ASP A 107 -0.744 0.335 10.875 1.00 0.00 C ATOM 1695 O ASP A 107 -1.809 0.438 10.266 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.841 0.468 13.372 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.169 1.199 13.348 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.161 0.647 13.870 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.218 2.324 12.808 1.00 0.00 O ATOM 0 H ASP A 107 1.187 -0.889 13.057 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.469 -1.201 12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.765 -0.110 14.293 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.029 1.196 13.384 1.00 0.00 H new ATOM 1704 N ILE A 108 0.386 0.899 10.455 1.00 0.00 N ATOM 1705 CA ILE A 108 0.433 1.694 9.231 1.00 0.00 C ATOM 1706 C ILE A 108 0.368 0.806 7.991 1.00 0.00 C ATOM 1707 O ILE A 108 -0.441 1.039 7.093 1.00 0.00 O ATOM 1708 CB ILE A 108 1.713 2.553 9.163 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.769 3.518 10.350 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.773 3.318 7.847 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.056 4.312 10.427 1.00 0.00 C ATOM 0 H ILE A 108 1.279 0.821 10.943 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.437 2.350 9.252 1.00 0.00 H new ATOM 0 HB ILE A 108 2.578 1.892 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.929 4.209 10.285 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.645 2.952 11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.682 3.918 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.776 2.613 7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.904 3.971 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.024 4.974 11.292 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.900 3.629 10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.172 4.906 9.520 1.00 0.00 H new ATOM 1723 N PHE A 109 1.215 -0.218 7.950 1.00 0.00 N ATOM 1724 CA PHE A 109 1.243 -1.131 6.814 1.00 0.00 C ATOM 1725 C PHE A 109 -0.072 -1.897 6.704 1.00 0.00 C ATOM 1726 O PHE A 109 -0.475 -2.294 5.612 1.00 0.00 O ATOM 1727 CB PHE A 109 2.422 -2.104 6.914 1.00 0.00 C ATOM 1728 CG PHE A 109 2.599 -2.964 5.687 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.440 -2.428 4.416 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.919 -4.307 5.805 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.595 -3.213 3.288 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.077 -5.098 4.682 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.914 -4.551 3.422 1.00 0.00 C ATOM 0 H PHE A 109 1.887 -0.435 8.686 1.00 0.00 H new ATOM 0 HA PHE A 109 1.373 -0.534 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.337 -1.537 7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.279 -2.748 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.192 -1.383 4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.047 -4.741 6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.467 -2.782 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.328 -6.143 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.036 -5.169 2.544 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.733 -2.101 7.843 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.000 -2.827 7.878 1.00 0.00 C ATOM 1745 C ASP A 110 -2.964 -2.302 6.819 1.00 0.00 C ATOM 1746 O ASP A 110 -3.770 -3.057 6.273 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.642 -2.713 9.264 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.948 -3.476 9.359 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.910 -4.677 9.700 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.008 -2.872 9.094 1.00 0.00 O ATOM 0 H ASP A 110 -0.411 -1.773 8.754 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.790 -3.875 7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.948 -3.090 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.820 -1.663 9.494 1.00 0.00 H new ATOM 1755 N MET A 111 -2.879 -1.008 6.532 1.00 0.00 N ATOM 1756 CA MET A 111 -3.735 -0.394 5.525 1.00 0.00 C ATOM 1757 C MET A 111 -3.298 -0.831 4.132 1.00 0.00 C ATOM 1758 O MET A 111 -4.115 -1.242 3.305 1.00 0.00 O ATOM 1759 CB MET A 111 -3.672 1.131 5.636 1.00 0.00 C ATOM 1760 CG MET A 111 -4.473 1.858 4.566 1.00 0.00 C ATOM 1761 SD MET A 111 -4.142 3.630 4.540 1.00 0.00 S ATOM 1762 CE MET A 111 -2.415 3.644 4.065 1.00 0.00 C ATOM 0 H MET A 111 -2.227 -0.365 6.982 1.00 0.00 H new ATOM 0 HA MET A 111 -4.762 -0.718 5.694 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.039 1.430 6.618 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.631 1.448 5.575 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.238 1.434 3.590 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.537 1.693 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.178 4.593 3.584 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.793 3.521 4.951 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.222 2.827 3.370 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.996 -0.748 3.890 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.419 -1.126 2.609 1.00 0.00 C ATOM 1774 C LEU A 112 -1.573 -2.622 2.355 1.00 0.00 C ATOM 1775 O LEU A 112 -1.542 -3.069 1.211 1.00 0.00 O ATOM 1776 CB LEU A 112 0.055 -0.725 2.562 1.00 0.00 C ATOM 1777 CG LEU A 112 0.317 0.782 2.645 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.793 1.055 2.878 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.161 1.478 1.379 1.00 0.00 C ATOM 0 H LEU A 112 -1.314 -0.418 4.573 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.957 -0.598 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.576 -1.215 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.490 -1.104 1.637 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.244 1.182 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.960 2.131 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.106 0.590 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.374 0.640 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.033 2.548 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.372 1.074 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.231 1.312 1.254 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.740 -3.393 3.428 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.894 -4.842 3.316 1.00 0.00 C ATOM 1793 C LEU A 113 -2.966 -5.202 2.292 1.00 0.00 C ATOM 1794 O LEU A 113 -2.933 -6.283 1.704 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.243 -5.458 4.676 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.057 -5.676 5.623 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.525 -6.297 6.929 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.001 -6.557 4.969 1.00 0.00 C ATOM 0 H LEU A 113 -1.772 -3.039 4.384 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.941 -5.250 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.969 -4.814 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.732 -6.417 4.507 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.611 -4.705 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.670 -6.445 7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.244 -5.634 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.997 -7.258 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.832 -6.699 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.437 -7.525 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.359 -6.078 4.058 1.00 0.00 H new ATOM 1810 N THR A 114 -3.920 -4.295 2.093 1.00 0.00 N ATOM 1811 CA THR A 114 -5.003 -4.513 1.136 1.00 0.00 C ATOM 1812 C THR A 114 -4.478 -4.835 -0.266 1.00 0.00 C ATOM 1813 O THR A 114 -5.256 -5.155 -1.164 1.00 0.00 O ATOM 1814 CB THR A 114 -5.922 -3.280 1.050 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.166 -2.131 0.651 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.596 -3.012 2.387 1.00 0.00 C ATOM 0 H THR A 114 -3.965 -3.401 2.582 1.00 0.00 H new ATOM 0 HA THR A 114 -5.568 -5.370 1.503 1.00 0.00 H new ATOM 0 HB THR A 114 -6.694 -3.482 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.765 -1.712 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.240 -2.137 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.195 -3.877 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.836 -2.830 3.147 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.163 -4.746 -0.451 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.553 -5.031 -1.746 1.00 0.00 C ATOM 1826 C PHE A 115 -2.733 -6.496 -2.133 1.00 0.00 C ATOM 1827 O PHE A 115 -2.860 -6.822 -3.315 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.058 -4.683 -1.730 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.767 -3.205 -1.716 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.547 -2.320 -2.446 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.296 -2.702 -0.977 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.275 -0.967 -2.439 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.570 -1.348 -0.967 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.215 -0.480 -1.699 1.00 0.00 C ATOM 0 H PHE A 115 -2.501 -4.479 0.278 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.057 -4.411 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.600 -5.140 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.584 -5.127 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.377 -2.694 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.915 -3.377 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.891 -0.289 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.398 -0.969 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.001 0.579 -1.693 1.00 0.00 H new ATOM 1844 N THR A 116 -2.745 -7.379 -1.136 1.00 0.00 N ATOM 1845 CA THR A 116 -2.904 -8.808 -1.387 1.00 0.00 C ATOM 1846 C THR A 116 -3.908 -9.440 -0.428 1.00 0.00 C ATOM 1847 O THR A 116 -4.742 -10.249 -0.837 1.00 0.00 O ATOM 1848 CB THR A 116 -1.561 -9.553 -1.262 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.044 -9.411 0.067 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.548 -9.016 -2.263 1.00 0.00 C ATOM 0 H THR A 116 -2.647 -7.131 -0.152 1.00 0.00 H new ATOM 0 HA THR A 116 -3.277 -8.902 -2.407 1.00 0.00 H new ATOM 0 HB THR A 116 -1.735 -10.608 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.191 -9.889 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.392 -9.557 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.930 -9.150 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.379 -7.955 -2.076 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.822 -9.072 0.847 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.722 -9.613 1.862 1.00 0.00 C ATOM 1860 C ASP A 117 -6.170 -9.217 1.578 1.00 0.00 C ATOM 1861 O ASP A 117 -6.633 -8.157 2.004 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.304 -9.130 3.252 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.964 -9.923 4.363 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.465 -11.022 4.685 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.976 -9.445 4.914 1.00 0.00 O ATOM 0 H ASP A 117 -3.139 -8.402 1.202 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.655 -10.700 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.221 -9.206 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.561 -8.076 3.360 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.878 -10.082 0.857 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.273 -9.832 0.506 1.00 0.00 C ATOM 1872 C PHE A 118 -9.138 -9.705 1.757 1.00 0.00 C ATOM 1873 O PHE A 118 -10.191 -9.070 1.734 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.800 -10.959 -0.387 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.194 -10.725 -0.898 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.410 -9.962 -2.034 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.286 -11.270 -0.242 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.691 -9.746 -2.506 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.570 -11.057 -0.711 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.772 -10.295 -1.844 1.00 0.00 C ATOM 0 H PHE A 118 -6.508 -10.964 0.504 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.324 -8.890 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.128 -11.082 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.780 -11.894 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.568 -9.531 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.133 -11.867 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.847 -9.148 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.414 -11.487 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.773 -10.128 -2.212 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.683 -10.314 2.848 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.415 -10.274 4.109 1.00 0.00 C ATOM 1892 C LEU A 119 -9.433 -8.866 4.693 1.00 0.00 C ATOM 1893 O LEU A 119 -10.439 -8.429 5.253 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.796 -11.250 5.116 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.119 -12.731 4.886 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.616 -12.979 4.997 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.600 -13.197 3.532 1.00 0.00 C ATOM 0 H LEU A 119 -7.811 -10.841 2.884 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.444 -10.573 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.713 -11.125 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.131 -10.974 6.116 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.616 -13.309 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.823 -14.036 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.959 -12.694 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.140 -12.384 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.842 -14.251 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.068 -12.610 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.519 -13.064 3.491 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.315 -8.158 4.561 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.203 -6.800 5.077 1.00 0.00 C ATOM 1911 C ALA A 120 -8.931 -5.813 4.173 1.00 0.00 C ATOM 1912 O ALA A 120 -9.447 -4.795 4.633 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.740 -6.407 5.221 1.00 0.00 C ATOM 0 H ALA A 120 -7.473 -8.504 4.100 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.672 -6.770 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.673 -5.390 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.246 -7.091 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.252 -6.458 4.248 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.967 -6.129 2.883 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.625 -5.279 1.898 1.00 0.00 C ATOM 1921 C PHE A 121 -11.128 -5.189 2.173 1.00 0.00 C ATOM 1922 O PHE A 121 -11.683 -4.096 2.325 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.375 -5.845 0.495 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.631 -4.877 -0.627 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.137 -3.582 -0.577 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.356 -5.269 -1.741 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.361 -2.700 -1.617 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.585 -4.391 -2.782 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.086 -3.105 -2.721 1.00 0.00 C ATOM 0 H PHE A 121 -8.546 -6.972 2.494 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.211 -4.273 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.341 -6.186 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.008 -6.721 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.571 -3.259 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.747 -6.274 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.970 -1.695 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.154 -4.710 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.262 -2.417 -3.535 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.774 -6.347 2.256 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.209 -6.411 2.508 1.00 0.00 C ATOM 1941 C LYS A 122 -13.549 -5.863 3.891 1.00 0.00 C ATOM 1942 O LYS A 122 -14.429 -5.013 4.030 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.706 -7.852 2.376 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.202 -8.003 2.595 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.657 -9.437 2.377 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.151 -9.587 2.616 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.618 -10.979 2.362 1.00 0.00 N ATOM 0 H LYS A 122 -11.325 -7.257 2.152 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.710 -5.792 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.453 -8.225 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.177 -8.477 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.456 -7.690 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.739 -7.343 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.417 -9.746 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.111 -10.100 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.384 -9.308 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.693 -8.898 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.656 -10.991 2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.216 -11.322 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.309 -11.596 3.140 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.848 -6.354 4.909 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.080 -5.914 6.282 1.00 0.00 C ATOM 1963 C GLU A 123 -12.942 -4.400 6.404 1.00 0.00 C ATOM 1964 O GLU A 123 -13.617 -3.771 7.219 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.102 -6.605 7.235 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.319 -6.241 8.696 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.288 -6.866 9.614 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.519 -7.999 10.084 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.247 -6.221 9.861 1.00 0.00 O ATOM 0 H GLU A 123 -12.115 -7.056 4.810 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.099 -6.189 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.197 -7.685 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.083 -6.342 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.287 -5.157 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.314 -6.562 9.002 1.00 0.00 H new ATOM 1976 N MET A 124 -12.063 -3.821 5.592 1.00 0.00 N ATOM 1977 CA MET A 124 -11.840 -2.380 5.614 1.00 0.00 C ATOM 1978 C MET A 124 -13.088 -1.628 5.162 1.00 0.00 C ATOM 1979 O MET A 124 -13.512 -0.671 5.808 1.00 0.00 O ATOM 1980 CB MET A 124 -10.656 -2.009 4.719 1.00 0.00 C ATOM 1981 CG MET A 124 -10.318 -0.526 4.740 1.00 0.00 C ATOM 1982 SD MET A 124 -8.916 -0.115 3.682 1.00 0.00 S ATOM 1983 CE MET A 124 -9.539 -0.619 2.081 1.00 0.00 C ATOM 0 H MET A 124 -11.495 -4.326 4.912 1.00 0.00 H new ATOM 0 HA MET A 124 -11.614 -2.091 6.640 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.781 -2.577 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.878 -2.308 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.189 0.045 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.097 -0.223 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.957 -0.137 1.296 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.455 -1.701 1.982 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.585 -0.326 1.989 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.672 -2.065 4.048 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.874 -1.424 3.520 1.00 0.00 C ATOM 1995 C PHE A 125 -16.040 -1.542 4.496 1.00 0.00 C ATOM 1996 O PHE A 125 -16.714 -0.554 4.791 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.263 -2.035 2.172 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.275 -1.756 1.078 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.961 -0.453 0.725 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.662 -2.796 0.400 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.053 -0.193 -0.283 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.754 -2.542 -0.608 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.448 -1.240 -0.950 1.00 0.00 C ATOM 0 H PHE A 125 -13.335 -2.855 3.497 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.648 -0.367 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.368 -3.114 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.239 -1.650 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.432 0.369 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.897 -3.817 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.817 0.827 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.283 -3.362 -1.129 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.737 -1.041 -1.738 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.277 -2.753 4.992 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.367 -2.995 5.933 1.00 0.00 C ATOM 2015 C LEU A 126 -17.233 -2.113 7.170 1.00 0.00 C ATOM 2016 O LEU A 126 -18.227 -1.597 7.684 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.404 -4.472 6.338 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.177 -5.391 5.384 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.590 -5.335 3.980 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.173 -6.819 5.906 1.00 0.00 C ATOM 0 H LEU A 126 -15.730 -3.581 4.759 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.303 -2.741 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.380 -4.836 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.848 -4.549 7.331 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.208 -5.041 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.156 -5.995 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.645 -4.314 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.549 -5.656 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.725 -7.459 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.146 -7.174 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.645 -6.849 6.888 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.004 -1.942 7.646 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.749 -1.112 8.820 1.00 0.00 C ATOM 2034 C ASP A 127 -16.044 0.353 8.512 1.00 0.00 C ATOM 2035 O ASP A 127 -16.467 1.112 9.386 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.298 -1.273 9.282 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.969 -0.391 10.471 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.224 -0.819 11.616 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.454 0.727 10.257 1.00 0.00 O ATOM 0 H ASP A 127 -15.170 -2.366 7.239 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.410 -1.439 9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.117 -2.315 9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.628 -1.031 8.457 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.818 0.741 7.260 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.059 2.112 6.825 1.00 0.00 C ATOM 2046 C TYR A 128 -17.542 2.460 6.918 1.00 0.00 C ATOM 2047 O TYR A 128 -17.908 3.540 7.381 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.565 2.306 5.389 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.721 3.720 4.876 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.853 4.726 5.281 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.734 4.046 3.984 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.992 6.018 4.813 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.879 5.336 3.510 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.007 6.318 3.928 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.149 7.603 3.459 1.00 0.00 O ATOM 0 H TYR A 128 -15.468 0.123 6.528 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.507 2.780 7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.514 2.024 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.111 1.629 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.057 4.494 5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.420 3.279 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.310 6.789 5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.671 5.573 2.816 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.911 7.644 2.844 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.391 1.537 6.475 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.834 1.745 6.515 1.00 0.00 C ATOM 2067 C ARG A 129 -20.343 1.719 7.952 1.00 0.00 C ATOM 2068 O ARG A 129 -21.284 2.431 8.302 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.552 0.675 5.690 1.00 0.00 C ATOM 2070 CG ARG A 129 -22.065 0.833 5.669 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.739 -0.349 4.993 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.328 -0.491 3.600 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.829 -1.403 2.771 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.756 -2.252 3.196 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -22.404 -1.467 1.517 1.00 0.00 N ATOM 0 H ARG A 129 -18.105 0.639 6.085 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.046 2.724 6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -20.178 0.706 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.304 -0.308 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.436 0.930 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.329 1.752 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.499 -1.263 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -23.821 -0.225 5.041 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.616 0.145 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -24.086 -2.206 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.139 -2.950 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.692 -0.816 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.789 -2.167 0.883 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.714 0.890 8.779 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.098 0.766 10.180 1.00 0.00 C ATOM 2091 C ALA A 130 -19.918 2.091 10.914 1.00 0.00 C ATOM 2092 O ALA A 130 -20.704 2.433 11.799 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.288 -0.332 10.854 1.00 0.00 C ATOM 0 H ALA A 130 -18.935 0.293 8.502 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.154 0.498 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.585 -0.414 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.471 -1.281 10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.227 -0.089 10.796 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.878 2.832 10.542 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.597 4.122 11.164 1.00 0.00 C ATOM 2101 C GLU A 131 -19.644 5.159 10.767 1.00 0.00 C ATOM 2102 O GLU A 131 -19.844 6.151 11.468 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.202 4.611 10.770 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.078 3.752 11.323 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.049 3.734 12.840 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.419 4.636 13.432 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.657 2.820 13.434 1.00 0.00 O ATOM 0 H GLU A 131 -18.217 2.562 9.814 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.635 3.990 12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.128 4.635 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.072 5.635 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.189 2.733 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.124 4.124 10.950 1.00 0.00 H new ATOM 2114 N LYS A 132 -20.306 4.924 9.637 1.00 0.00 N ATOM 2115 CA LYS A 132 -21.334 5.839 9.151 1.00 0.00 C ATOM 2116 C LYS A 132 -22.555 5.818 10.066 1.00 0.00 C ATOM 2117 O LYS A 132 -23.387 6.724 10.028 1.00 0.00 O ATOM 2118 CB LYS A 132 -21.748 5.474 7.723 1.00 0.00 C ATOM 2119 CG LYS A 132 -20.626 5.602 6.704 1.00 0.00 C ATOM 2120 CD LYS A 132 -20.195 7.050 6.519 1.00 0.00 C ATOM 2121 CE LYS A 132 -19.154 7.183 5.419 1.00 0.00 C ATOM 2122 NZ LYS A 132 -18.726 8.595 5.224 1.00 0.00 N ATOM 0 H LYS A 132 -20.149 4.110 9.042 1.00 0.00 H new ATOM 0 HA LYS A 132 -20.915 6.845 9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -22.119 4.449 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -22.576 6.115 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -19.772 5.007 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -20.955 5.195 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -21.064 7.661 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.788 7.433 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.286 6.572 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -19.562 6.796 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -17.843 8.617 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -19.466 9.114 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -18.569 9.041 6.150 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.654 4.776 10.885 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.768 4.636 11.813 1.00 0.00 C ATOM 2138 C GLU A 133 -23.346 5.022 13.227 1.00 0.00 C ATOM 2139 O GLU A 133 -24.171 5.070 14.140 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.297 3.201 11.801 1.00 0.00 C ATOM 2141 CG GLU A 133 -24.872 2.775 10.460 1.00 0.00 C ATOM 2142 CD GLU A 133 -25.496 1.394 10.504 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.686 1.292 10.871 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -24.796 0.416 10.171 1.00 0.00 O ATOM 0 H GLU A 133 -21.975 4.016 10.924 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.563 5.309 11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.488 2.522 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.067 3.100 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -25.623 3.499 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -24.082 2.789 9.709 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.057 5.296 13.398 1.00 0.00 N ATOM 2152 CA GLY A 134 -21.545 5.675 14.701 1.00 0.00 C ATOM 2153 C GLY A 134 -21.291 7.166 14.814 1.00 0.00 C ATOM 2154 O GLY A 134 -20.357 7.594 15.490 1.00 0.00 O ATOM 0 H GLY A 134 -21.357 5.262 12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -22.256 5.372 15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -20.617 5.136 14.894 1.00 0.00 H new ATOM 2158 N ARG A 135 -22.125 7.959 14.146 1.00 0.00 N ATOM 2159 CA ARG A 135 -21.988 9.410 14.176 1.00 0.00 C ATOM 2160 C ARG A 135 -22.527 9.974 15.486 1.00 0.00 C ATOM 2161 O ARG A 135 -22.043 10.991 15.984 1.00 0.00 O ATOM 2162 CB ARG A 135 -22.730 10.038 12.993 1.00 0.00 C ATOM 2163 CG ARG A 135 -22.290 9.496 11.643 1.00 0.00 C ATOM 2164 CD ARG A 135 -23.039 10.166 10.503 1.00 0.00 C ATOM 2165 NE ARG A 135 -24.486 10.006 10.630 1.00 0.00 N ATOM 2166 CZ ARG A 135 -25.358 10.416 9.714 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -24.931 10.998 8.600 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -26.658 10.240 9.907 1.00 0.00 N ATOM 0 H ARG A 135 -22.902 7.620 13.578 1.00 0.00 H new ATOM 0 HA ARG A 135 -20.928 9.655 14.101 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -23.800 9.866 13.113 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -22.576 11.117 13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -21.219 9.654 11.518 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -22.460 8.420 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -22.792 11.227 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -22.709 9.743 9.554 1.00 0.00 H new ATOM 0 HE ARG A 135 -24.848 9.554 11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -23.932 11.132 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -25.602 11.312 7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -26.991 9.789 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -27.325 10.555 9.203 1.00 0.00 H new ATOM 2182 N GLY A 136 -23.532 9.302 16.039 1.00 0.00 N ATOM 2183 CA GLY A 136 -24.126 9.742 17.289 1.00 0.00 C ATOM 2184 C GLY A 136 -25.501 10.351 17.096 1.00 0.00 C ATOM 2185 O GLY A 136 -26.495 9.595 17.129 1.00 0.00 O ATOM 2186 OXT GLY A 136 -25.583 11.584 16.916 1.00 0.00 O ATOM 0 H GLY A 136 -23.947 8.459 15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -24.200 8.895 17.970 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -23.471 10.474 17.761 1.00 0.00 H new TER 2190 GLY A 136