USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 109 LYS NZ :NH3+ -166:sc= 0.696 (180deg=0) USER MOD Set 1.2: A 123 ASN : amide:sc= 0.611 K(o=1.3,f=-4.9) USER MOD Set 2.1: A 78 ASN : amide:sc= -0.298 X(o=0.63,f=1) USER MOD Set 2.2: A 82 THR OG1 : rot -73:sc= 0.925 USER MOD Set 3.1: A 45 SER OG : rot 109:sc= 1.74 USER MOD Set 3.2: A 124 GLN : amide:sc= 0.753 K(o=2.5,f=-0.61) USER MOD Single : A 22 SER OG : rot 25:sc= 0.0882 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0.757 (180deg=0.666) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.243 K(o=-0.24,f=1.2) USER MOD Single : A 30 TYR OH : rot 81:sc= 1.34 USER MOD Single : A 33 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00786 USER MOD Single : A 39 TYR OH : rot 31:sc= 0.804 USER MOD Single : A 43 TYR OH : rot -137:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 40:sc= 0.0257 USER MOD Single : A 50 SER OG : rot 41:sc= 0.122 USER MOD Single : A 54 THR OG1 : rot 54:sc= 0.304 USER MOD Single : A 57 SER OG : rot -65:sc= 1.17 USER MOD Single : A 64 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.14) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -116:sc= 0.58 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 81 TYR OH : rot -166:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot 103:sc= 1.55 USER MOD Single : A 90 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=-0.35) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.618) USER MOD Single : A 100 SER OG : rot 62:sc= 0.641 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 160:sc= -0.23 USER MOD Single : A 107 SER OG : rot -67:sc= 1.48 USER MOD Single : A 113 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 114 THR OG1 : rot -78:sc= 0.00703 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 128:sc= 1.02 (180deg=0.828) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.741 18.457 11.645 1.00 0.00 N ATOM 2 CA GLY A 19 1.849 17.919 12.421 1.00 0.00 C ATOM 3 C GLY A 19 2.563 16.879 11.629 1.00 0.00 C ATOM 4 O GLY A 19 2.844 17.075 10.441 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.538 18.719 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.478 17.489 13.352 1.00 0.00 H new ATOM 10 N ALA A 20 2.807 15.754 12.244 1.00 0.00 N ATOM 11 CA ALA A 20 3.440 14.640 11.587 1.00 0.00 C ATOM 12 C ALA A 20 2.365 13.661 11.134 1.00 0.00 C ATOM 13 O ALA A 20 2.595 12.445 11.042 1.00 0.00 O ATOM 14 CB ALA A 20 4.431 13.970 12.530 1.00 0.00 C ATOM 0 H ALA A 20 2.571 15.582 13.221 1.00 0.00 H new ATOM 0 HA ALA A 20 3.995 14.986 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.904 13.129 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.194 14.690 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.906 13.611 13.415 1.00 0.00 H new ATOM 20 N ASP A 21 1.206 14.219 10.777 1.00 0.00 N ATOM 21 CA ASP A 21 0.045 13.456 10.328 1.00 0.00 C ATOM 22 C ASP A 21 0.226 12.991 8.892 1.00 0.00 C ATOM 23 O ASP A 21 -0.599 12.263 8.341 1.00 0.00 O ATOM 24 CB ASP A 21 -1.277 14.237 10.542 1.00 0.00 C ATOM 25 CG ASP A 21 -1.322 15.593 9.868 1.00 0.00 C ATOM 26 OD1 ASP A 21 -0.472 16.472 10.186 1.00 0.00 O ATOM 27 OD2 ASP A 21 -2.222 15.837 9.054 1.00 0.00 O ATOM 0 H ASP A 21 1.048 15.227 10.793 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.031 12.562 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.105 13.633 10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.435 14.372 11.612 1.00 0.00 H new ATOM 32 N SER A 22 1.300 13.429 8.292 1.00 0.00 N ATOM 33 CA SER A 22 1.768 12.859 7.084 1.00 0.00 C ATOM 34 C SER A 22 3.004 12.052 7.473 1.00 0.00 C ATOM 35 O SER A 22 3.940 12.586 8.107 1.00 0.00 O ATOM 36 CB SER A 22 2.094 13.954 6.054 1.00 0.00 C ATOM 37 OG SER A 22 2.944 14.963 6.608 1.00 0.00 O ATOM 0 H SER A 22 1.871 14.199 8.641 1.00 0.00 H new ATOM 0 HA SER A 22 1.020 12.225 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.578 13.506 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.169 14.410 5.702 1.00 0.00 H new ATOM 0 HG SER A 22 3.454 14.587 7.356 1.00 0.00 H new ATOM 43 N CYS A 23 3.021 10.800 7.161 1.00 0.00 N ATOM 44 CA CYS A 23 4.100 9.982 7.605 1.00 0.00 C ATOM 45 C CYS A 23 4.761 9.253 6.459 1.00 0.00 C ATOM 46 O CYS A 23 4.146 9.015 5.409 1.00 0.00 O ATOM 47 CB CYS A 23 3.611 9.014 8.687 1.00 0.00 C ATOM 48 SG CYS A 23 2.263 7.934 8.162 1.00 0.00 S ATOM 0 H CYS A 23 2.309 10.324 6.607 1.00 0.00 H new ATOM 0 HA CYS A 23 4.863 10.628 8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.449 8.398 9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.284 9.590 9.553 1.00 0.00 H new ATOM 53 N LYS A 24 6.011 8.943 6.648 1.00 0.00 N ATOM 54 CA LYS A 24 6.798 8.229 5.683 1.00 0.00 C ATOM 55 C LYS A 24 6.645 6.749 5.952 1.00 0.00 C ATOM 56 O LYS A 24 6.533 6.359 7.110 1.00 0.00 O ATOM 57 CB LYS A 24 8.269 8.639 5.840 1.00 0.00 C ATOM 58 CG LYS A 24 8.548 10.104 5.514 1.00 0.00 C ATOM 59 CD LYS A 24 8.539 10.365 4.009 1.00 0.00 C ATOM 60 CE LYS A 24 9.770 9.784 3.327 1.00 0.00 C ATOM 61 NZ LYS A 24 11.024 10.351 3.863 1.00 0.00 N ATOM 0 H LYS A 24 6.523 9.185 7.496 1.00 0.00 H new ATOM 0 HA LYS A 24 6.469 8.457 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.583 8.440 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.881 8.011 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.799 10.732 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.516 10.390 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.641 9.930 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.495 11.439 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.778 8.702 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.715 9.977 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.824 10.045 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.966 11.389 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.167 10.018 4.838 1.00 0.00 H new ATOM 75 N TYR A 25 6.609 5.937 4.883 1.00 0.00 N ATOM 76 CA TYR A 25 6.509 4.463 5.006 1.00 0.00 C ATOM 77 C TYR A 25 5.148 4.038 5.531 1.00 0.00 C ATOM 78 O TYR A 25 5.017 3.041 6.252 1.00 0.00 O ATOM 79 CB TYR A 25 7.642 3.891 5.888 1.00 0.00 C ATOM 80 CG TYR A 25 9.004 3.920 5.244 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.580 5.111 4.821 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.707 2.753 5.056 1.00 0.00 C ATOM 83 CE1 TYR A 25 10.815 5.135 4.233 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.939 2.756 4.471 1.00 0.00 C ATOM 85 CZ TYR A 25 11.499 3.950 4.056 1.00 0.00 C ATOM 86 OH TYR A 25 12.743 3.956 3.471 1.00 0.00 O ATOM 0 H TYR A 25 6.647 6.271 3.920 1.00 0.00 H new ATOM 0 HA TYR A 25 6.623 4.049 4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.681 4.455 6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.398 2.861 6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.042 6.037 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.275 1.817 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.249 6.070 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.475 1.829 4.332 1.00 0.00 H new ATOM 0 HH TYR A 25 13.086 3.039 3.423 1.00 0.00 H new ATOM 96 N CYS A 26 4.136 4.743 5.107 1.00 0.00 N ATOM 97 CA CYS A 26 2.795 4.449 5.524 1.00 0.00 C ATOM 98 C CYS A 26 1.944 4.213 4.315 1.00 0.00 C ATOM 99 O CYS A 26 2.164 4.822 3.261 1.00 0.00 O ATOM 100 CB CYS A 26 2.208 5.624 6.277 1.00 0.00 C ATOM 101 SG CYS A 26 3.231 6.247 7.615 1.00 0.00 S ATOM 0 H CYS A 26 4.217 5.533 4.467 1.00 0.00 H new ATOM 0 HA CYS A 26 2.818 3.569 6.166 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.024 6.434 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.241 5.330 6.684 1.00 0.00 H new ATOM 106 N LEU A 27 1.012 3.336 4.453 1.00 0.00 N ATOM 107 CA LEU A 27 0.058 3.072 3.433 1.00 0.00 C ATOM 108 C LEU A 27 -1.193 3.809 3.807 1.00 0.00 C ATOM 109 O LEU A 27 -1.791 3.531 4.849 1.00 0.00 O ATOM 110 CB LEU A 27 -0.212 1.577 3.347 1.00 0.00 C ATOM 111 CG LEU A 27 -1.188 1.106 2.286 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.714 1.464 0.899 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.377 -0.361 2.396 1.00 0.00 C ATOM 0 H LEU A 27 0.889 2.771 5.294 1.00 0.00 H new ATOM 0 HA LEU A 27 0.422 3.398 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.739 1.072 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.582 1.245 4.317 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.139 1.612 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.438 1.111 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.612 2.546 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.251 0.994 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.079 -0.696 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.420 -0.863 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.771 -0.604 3.383 1.00 0.00 H new ATOM 125 N GLN A 28 -1.559 4.780 3.031 1.00 0.00 N ATOM 126 CA GLN A 28 -2.737 5.528 3.340 1.00 0.00 C ATOM 127 C GLN A 28 -3.800 5.175 2.363 1.00 0.00 C ATOM 128 O GLN A 28 -3.604 5.266 1.135 1.00 0.00 O ATOM 129 CB GLN A 28 -2.442 7.011 3.264 1.00 0.00 C ATOM 130 CG GLN A 28 -1.377 7.462 4.239 1.00 0.00 C ATOM 131 CD GLN A 28 -0.866 8.852 3.927 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.384 9.849 4.410 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.145 8.928 3.095 1.00 0.00 N ATOM 0 H GLN A 28 -1.065 5.072 2.187 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.069 5.289 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.126 7.260 2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.360 7.567 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.783 7.445 5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.545 6.758 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.554 8.076 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.522 9.839 2.833 1.00 0.00 H new ATOM 142 N LEU A 29 -4.901 4.757 2.879 1.00 0.00 N ATOM 143 CA LEU A 29 -6.015 4.431 2.072 1.00 0.00 C ATOM 144 C LEU A 29 -7.075 5.459 2.269 1.00 0.00 C ATOM 145 O LEU A 29 -7.452 5.754 3.406 1.00 0.00 O ATOM 146 CB LEU A 29 -6.524 3.025 2.357 1.00 0.00 C ATOM 147 CG LEU A 29 -5.468 1.912 2.223 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.910 1.485 3.565 1.00 0.00 C ATOM 149 CD2 LEU A 29 -6.003 0.738 1.477 1.00 0.00 C ATOM 0 H LEU A 29 -5.052 4.632 3.880 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.712 4.435 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.931 3.000 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.348 2.808 1.677 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.644 2.335 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.170 0.699 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.440 2.339 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.718 1.109 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.231 -0.028 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.865 0.333 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.304 1.049 0.477 1.00 0.00 H new ATOM 161 N TYR A 30 -7.540 6.010 1.199 1.00 0.00 N ATOM 162 CA TYR A 30 -8.512 7.062 1.244 1.00 0.00 C ATOM 163 C TYR A 30 -9.872 6.503 1.121 1.00 0.00 C ATOM 164 O TYR A 30 -10.069 5.473 0.469 1.00 0.00 O ATOM 165 CB TYR A 30 -8.266 8.066 0.150 1.00 0.00 C ATOM 166 CG TYR A 30 -6.945 8.761 0.286 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.812 8.263 -0.345 1.00 0.00 C ATOM 168 CD2 TYR A 30 -6.822 9.898 1.060 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.593 8.877 -0.207 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.600 10.530 1.205 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.488 10.011 0.565 1.00 0.00 C ATOM 172 OH TYR A 30 -3.264 10.629 0.701 1.00 0.00 O ATOM 0 H TYR A 30 -7.256 5.744 0.256 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.421 7.571 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.309 7.562 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.064 8.808 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.892 7.376 -0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.692 10.299 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.722 8.473 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.515 11.419 1.812 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.094 11.193 -0.082 1.00 0.00 H new ATOM 182 N ASP A 31 -10.807 7.176 1.715 1.00 0.00 N ATOM 183 CA ASP A 31 -12.164 6.709 1.768 1.00 0.00 C ATOM 184 C ASP A 31 -12.783 6.785 0.388 1.00 0.00 C ATOM 185 O ASP A 31 -13.406 5.842 -0.077 1.00 0.00 O ATOM 186 CB ASP A 31 -12.963 7.538 2.768 1.00 0.00 C ATOM 187 CG ASP A 31 -14.203 6.841 3.267 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.155 6.271 4.373 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.244 6.872 2.600 1.00 0.00 O ATOM 0 H ASP A 31 -10.653 8.070 2.181 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.178 5.670 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.326 7.782 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.248 8.481 2.302 1.00 0.00 H new ATOM 194 N GLU A 32 -12.529 7.881 -0.286 1.00 0.00 N ATOM 195 CA GLU A 32 -13.033 8.108 -1.618 1.00 0.00 C ATOM 196 C GLU A 32 -11.916 8.158 -2.614 1.00 0.00 C ATOM 197 O GLU A 32 -10.741 7.999 -2.255 1.00 0.00 O ATOM 198 CB GLU A 32 -13.904 9.348 -1.701 1.00 0.00 C ATOM 199 CG GLU A 32 -15.283 9.146 -1.130 1.00 0.00 C ATOM 200 CD GLU A 32 -16.056 8.051 -1.847 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.710 8.337 -2.878 1.00 0.00 O ATOM 202 OE2 GLU A 32 -16.051 6.894 -1.395 1.00 0.00 O ATOM 0 H GLU A 32 -11.962 8.646 0.078 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.671 7.260 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.414 10.164 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.991 9.653 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.202 8.896 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.840 10.081 -1.194 1.00 0.00 H new ATOM 209 N THR A 33 -12.264 8.337 -3.858 1.00 0.00 N ATOM 210 CA THR A 33 -11.317 8.340 -4.924 1.00 0.00 C ATOM 211 C THR A 33 -10.512 9.642 -4.943 1.00 0.00 C ATOM 212 O THR A 33 -10.835 10.581 -4.201 1.00 0.00 O ATOM 213 CB THR A 33 -12.066 8.139 -6.243 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.296 8.878 -6.197 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.384 6.687 -6.474 1.00 0.00 C ATOM 0 H THR A 33 -13.227 8.486 -4.158 1.00 0.00 H new ATOM 0 HA THR A 33 -10.605 7.527 -4.780 1.00 0.00 H new ATOM 0 HB THR A 33 -11.431 8.490 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.111 9.830 -6.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.916 6.577 -7.419 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.458 6.113 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.009 6.317 -5.661 1.00 0.00 H new ATOM 223 N TYR A 34 -9.447 9.676 -5.765 1.00 0.00 N ATOM 224 CA TYR A 34 -8.566 10.853 -5.967 1.00 0.00 C ATOM 225 C TYR A 34 -8.117 11.527 -4.665 1.00 0.00 C ATOM 226 O TYR A 34 -8.049 12.753 -4.581 1.00 0.00 O ATOM 227 CB TYR A 34 -9.109 11.865 -7.051 1.00 0.00 C ATOM 228 CG TYR A 34 -10.542 12.357 -6.870 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.602 11.539 -7.190 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.825 13.621 -6.380 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.895 11.936 -7.028 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.132 14.041 -6.217 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.164 13.192 -6.543 1.00 0.00 C ATOM 234 OH TYR A 34 -14.470 13.597 -6.365 1.00 0.00 O ATOM 0 H TYR A 34 -9.164 8.870 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.649 10.444 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.450 12.733 -7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.033 11.390 -8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.402 10.552 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.015 14.287 -6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.704 11.266 -7.280 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.341 15.030 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.484 14.512 -6.014 1.00 0.00 H new ATOM 244 N GLU A 35 -7.801 10.695 -3.660 1.00 0.00 N ATOM 245 CA GLU A 35 -7.331 11.136 -2.344 1.00 0.00 C ATOM 246 C GLU A 35 -8.375 11.980 -1.619 1.00 0.00 C ATOM 247 O GLU A 35 -8.044 12.984 -0.975 1.00 0.00 O ATOM 248 CB GLU A 35 -6.005 11.904 -2.423 1.00 0.00 C ATOM 249 CG GLU A 35 -4.829 11.116 -2.965 1.00 0.00 C ATOM 250 CD GLU A 35 -3.539 11.866 -2.773 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.868 11.665 -1.732 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.179 12.703 -3.623 1.00 0.00 O ATOM 0 H GLU A 35 -7.867 9.681 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.161 10.225 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.151 12.784 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.752 12.262 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.771 10.151 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.981 10.913 -4.025 1.00 0.00 H new ATOM 259 N ARG A 36 -9.621 11.590 -1.716 1.00 0.00 N ATOM 260 CA ARG A 36 -10.680 12.305 -1.038 1.00 0.00 C ATOM 261 C ARG A 36 -11.236 11.527 0.127 1.00 0.00 C ATOM 262 O ARG A 36 -11.046 10.297 0.234 1.00 0.00 O ATOM 263 CB ARG A 36 -11.782 12.725 -2.002 1.00 0.00 C ATOM 264 CG ARG A 36 -11.363 13.764 -3.026 1.00 0.00 C ATOM 265 CD ARG A 36 -11.042 15.127 -2.411 1.00 0.00 C ATOM 266 NE ARG A 36 -9.833 15.126 -1.574 1.00 0.00 N ATOM 267 CZ ARG A 36 -9.561 16.008 -0.614 1.00 0.00 C ATOM 268 NH1 ARG A 36 -10.419 16.984 -0.346 1.00 0.00 N ATOM 269 NH2 ARG A 36 -8.430 15.906 0.074 1.00 0.00 N ATOM 0 H ARG A 36 -9.930 10.782 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.235 13.213 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.143 11.841 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.620 13.118 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.487 13.401 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.161 13.883 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.919 15.857 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.890 15.453 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.147 14.390 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.288 17.059 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.210 17.659 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.773 15.154 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.218 16.580 0.810 1.00 0.00 H new ATOM 283 N GLY A 37 -11.921 12.236 0.992 1.00 0.00 N ATOM 284 CA GLY A 37 -12.458 11.655 2.179 1.00 0.00 C ATOM 285 C GLY A 37 -11.394 11.586 3.237 1.00 0.00 C ATOM 286 O GLY A 37 -10.370 12.267 3.139 1.00 0.00 O ATOM 0 H GLY A 37 -12.117 13.231 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.301 12.247 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.838 10.656 1.966 1.00 0.00 H new ATOM 290 N SER A 38 -11.615 10.796 4.232 1.00 0.00 N ATOM 291 CA SER A 38 -10.631 10.596 5.245 1.00 0.00 C ATOM 292 C SER A 38 -9.725 9.436 4.842 1.00 0.00 C ATOM 293 O SER A 38 -9.982 8.763 3.833 1.00 0.00 O ATOM 294 CB SER A 38 -11.304 10.371 6.602 1.00 0.00 C ATOM 295 OG SER A 38 -12.348 9.384 6.513 1.00 0.00 O ATOM 0 H SER A 38 -12.479 10.271 4.368 1.00 0.00 H new ATOM 0 HA SER A 38 -10.010 11.486 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.559 10.050 7.331 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.720 11.311 6.964 1.00 0.00 H new ATOM 0 HG SER A 38 -12.758 9.261 7.395 1.00 0.00 H new ATOM 301 N TYR A 39 -8.696 9.193 5.591 1.00 0.00 N ATOM 302 CA TYR A 39 -7.759 8.162 5.248 1.00 0.00 C ATOM 303 C TYR A 39 -7.326 7.441 6.498 1.00 0.00 C ATOM 304 O TYR A 39 -7.569 7.904 7.615 1.00 0.00 O ATOM 305 CB TYR A 39 -6.532 8.754 4.517 1.00 0.00 C ATOM 306 CG TYR A 39 -5.655 9.628 5.382 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.448 9.151 5.867 1.00 0.00 C ATOM 308 CD2 TYR A 39 -6.042 10.909 5.733 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.653 9.918 6.678 1.00 0.00 C ATOM 310 CE2 TYR A 39 -5.254 11.691 6.540 1.00 0.00 C ATOM 311 CZ TYR A 39 -4.055 11.191 7.018 1.00 0.00 C ATOM 312 OH TYR A 39 -3.260 11.971 7.845 1.00 0.00 O ATOM 0 H TYR A 39 -8.480 9.697 6.451 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.244 7.457 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.931 7.936 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.879 9.338 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.127 8.155 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.979 11.300 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.717 9.527 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.568 12.691 6.801 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.318 11.735 7.712 1.00 0.00 H new ATOM 322 N ILE A 40 -6.715 6.331 6.318 1.00 0.00 N ATOM 323 CA ILE A 40 -6.208 5.563 7.408 1.00 0.00 C ATOM 324 C ILE A 40 -4.691 5.496 7.261 1.00 0.00 C ATOM 325 O ILE A 40 -4.175 5.605 6.136 1.00 0.00 O ATOM 326 CB ILE A 40 -6.818 4.124 7.387 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.459 3.341 8.660 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.355 3.375 6.143 1.00 0.00 C ATOM 329 CD1 ILE A 40 -7.077 1.962 8.737 1.00 0.00 C ATOM 0 H ILE A 40 -6.547 5.918 5.400 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.478 6.026 8.357 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.904 4.218 7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.375 3.245 8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.776 3.918 9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.786 2.374 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.680 3.913 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.267 3.301 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.773 1.478 9.665 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.163 2.048 8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.740 1.365 7.890 1.00 0.00 H new ATOM 341 N GLU A 41 -3.988 5.358 8.348 1.00 0.00 N ATOM 342 CA GLU A 41 -2.569 5.187 8.290 1.00 0.00 C ATOM 343 C GLU A 41 -2.276 3.756 8.618 1.00 0.00 C ATOM 344 O GLU A 41 -2.723 3.238 9.647 1.00 0.00 O ATOM 345 CB GLU A 41 -1.864 6.087 9.308 1.00 0.00 C ATOM 346 CG GLU A 41 -1.930 7.574 9.014 1.00 0.00 C ATOM 347 CD GLU A 41 -1.440 8.408 10.173 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.282 8.931 10.938 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.226 8.526 10.371 1.00 0.00 O ATOM 0 H GLU A 41 -4.379 5.361 9.290 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.208 5.454 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.301 5.908 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.817 5.791 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.330 7.795 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.958 7.851 8.779 1.00 0.00 H new ATOM 356 N VAL A 42 -1.573 3.115 7.756 1.00 0.00 N ATOM 357 CA VAL A 42 -1.177 1.764 7.967 1.00 0.00 C ATOM 358 C VAL A 42 0.317 1.717 7.899 1.00 0.00 C ATOM 359 O VAL A 42 0.922 2.309 7.002 1.00 0.00 O ATOM 360 CB VAL A 42 -1.804 0.822 6.903 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.325 -0.608 7.066 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.317 0.878 6.972 1.00 0.00 C ATOM 0 H VAL A 42 -1.251 3.515 6.874 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.528 1.419 8.940 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.478 1.172 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.786 -1.235 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.241 -0.643 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.603 -0.975 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.740 0.212 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.648 0.564 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.652 1.898 6.784 1.00 0.00 H new ATOM 372 N TYR A 43 0.906 1.063 8.841 1.00 0.00 N ATOM 373 CA TYR A 43 2.334 0.985 8.923 1.00 0.00 C ATOM 374 C TYR A 43 2.776 -0.471 8.824 1.00 0.00 C ATOM 375 O TYR A 43 3.891 -0.765 8.397 1.00 0.00 O ATOM 376 CB TYR A 43 2.805 1.547 10.271 1.00 0.00 C ATOM 377 CG TYR A 43 2.221 2.898 10.672 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.129 2.971 11.529 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.770 4.085 10.222 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.608 4.186 11.927 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.242 5.308 10.612 1.00 0.00 C ATOM 382 CZ TYR A 43 1.168 5.349 11.464 1.00 0.00 C ATOM 383 OH TYR A 43 0.663 6.568 11.883 1.00 0.00 O ATOM 0 H TYR A 43 0.413 0.564 9.582 1.00 0.00 H new ATOM 0 HA TYR A 43 2.766 1.562 8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.562 0.823 11.049 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.891 1.636 10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.679 2.058 11.891 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.621 4.060 9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.236 4.220 12.600 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.676 6.226 10.245 1.00 0.00 H new ATOM 0 HH TYR A 43 0.602 7.177 11.118 1.00 0.00 H new ATOM 393 N LYS A 44 1.880 -1.363 9.185 1.00 0.00 N ATOM 394 CA LYS A 44 2.172 -2.782 9.297 1.00 0.00 C ATOM 395 C LYS A 44 1.375 -3.583 8.282 1.00 0.00 C ATOM 396 O LYS A 44 0.408 -3.096 7.718 1.00 0.00 O ATOM 397 CB LYS A 44 1.815 -3.260 10.706 1.00 0.00 C ATOM 398 CG LYS A 44 0.339 -3.147 11.015 1.00 0.00 C ATOM 399 CD LYS A 44 0.044 -3.428 12.461 1.00 0.00 C ATOM 400 CE LYS A 44 -1.435 -3.270 12.731 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.748 -3.344 14.165 1.00 0.00 N ATOM 0 H LYS A 44 0.915 -1.124 9.413 1.00 0.00 H new ATOM 0 HA LYS A 44 3.234 -2.933 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.125 -4.299 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.378 -2.677 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.009 -2.145 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.217 -3.845 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.362 -4.439 12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.612 -2.747 13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.775 -2.313 12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.985 -4.047 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.773 -3.231 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.448 -4.267 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.245 -2.587 14.670 1.00 0.00 H new ATOM 415 N SER A 45 1.792 -4.792 8.055 1.00 0.00 N ATOM 416 CA SER A 45 1.089 -5.682 7.163 1.00 0.00 C ATOM 417 C SER A 45 -0.067 -6.344 7.938 1.00 0.00 C ATOM 418 O SER A 45 0.077 -6.668 9.133 1.00 0.00 O ATOM 419 CB SER A 45 2.051 -6.764 6.670 1.00 0.00 C ATOM 420 OG SER A 45 3.262 -6.200 6.171 1.00 0.00 O ATOM 0 H SER A 45 2.628 -5.195 8.479 1.00 0.00 H new ATOM 0 HA SER A 45 0.698 -5.127 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.277 -7.450 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.571 -7.349 5.886 1.00 0.00 H new ATOM 0 HG SER A 45 3.994 -6.396 6.792 1.00 0.00 H new ATOM 426 N VAL A 46 -1.183 -6.536 7.293 1.00 0.00 N ATOM 427 CA VAL A 46 -2.317 -7.149 7.921 1.00 0.00 C ATOM 428 C VAL A 46 -2.703 -8.413 7.149 1.00 0.00 C ATOM 429 O VAL A 46 -2.845 -8.386 5.924 1.00 0.00 O ATOM 430 CB VAL A 46 -3.533 -6.174 8.034 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.100 -5.802 6.680 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.598 -6.745 8.951 1.00 0.00 C ATOM 0 H VAL A 46 -1.331 -6.272 6.319 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.036 -7.413 8.941 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.167 -5.248 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.943 -5.123 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.329 -5.312 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.437 -6.703 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.435 -6.049 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.948 -7.698 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.178 -6.899 9.945 1.00 0.00 H new ATOM 442 N GLY A 47 -2.860 -9.504 7.848 1.00 0.00 N ATOM 443 CA GLY A 47 -3.185 -10.731 7.184 1.00 0.00 C ATOM 444 C GLY A 47 -4.667 -10.990 7.075 1.00 0.00 C ATOM 445 O GLY A 47 -5.089 -11.880 6.321 1.00 0.00 O ATOM 0 H GLY A 47 -2.769 -9.567 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.753 -10.717 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.720 -11.558 7.720 1.00 0.00 H new ATOM 449 N SER A 48 -5.466 -10.224 7.793 1.00 0.00 N ATOM 450 CA SER A 48 -6.894 -10.424 7.776 1.00 0.00 C ATOM 451 C SER A 48 -7.660 -9.176 8.194 1.00 0.00 C ATOM 452 O SER A 48 -7.433 -8.614 9.273 1.00 0.00 O ATOM 453 CB SER A 48 -7.260 -11.623 8.660 1.00 0.00 C ATOM 454 OG SER A 48 -6.672 -11.502 9.957 1.00 0.00 O ATOM 0 H SER A 48 -5.148 -9.462 8.392 1.00 0.00 H new ATOM 0 HA SER A 48 -7.190 -10.634 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.344 -11.693 8.753 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.920 -12.545 8.187 1.00 0.00 H new ATOM 0 HG SER A 48 -6.727 -10.570 10.255 1.00 0.00 H new ATOM 460 N LEU A 49 -8.513 -8.727 7.320 1.00 0.00 N ATOM 461 CA LEU A 49 -9.391 -7.630 7.584 1.00 0.00 C ATOM 462 C LEU A 49 -10.804 -8.124 7.497 1.00 0.00 C ATOM 463 O LEU A 49 -11.237 -8.625 6.447 1.00 0.00 O ATOM 464 CB LEU A 49 -9.162 -6.552 6.537 1.00 0.00 C ATOM 465 CG LEU A 49 -7.778 -5.934 6.548 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.554 -5.112 5.306 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.612 -5.079 7.779 1.00 0.00 C ATOM 0 H LEU A 49 -8.618 -9.123 6.386 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.202 -7.218 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.345 -6.979 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.898 -5.761 6.684 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.037 -6.733 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.555 -4.677 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.649 -5.749 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.296 -4.315 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.616 -4.637 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.361 -4.287 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.739 -5.695 8.669 1.00 0.00 H new ATOM 479 N SER A 50 -11.490 -8.034 8.586 1.00 0.00 N ATOM 480 CA SER A 50 -12.863 -8.391 8.663 1.00 0.00 C ATOM 481 C SER A 50 -13.626 -7.278 9.381 1.00 0.00 C ATOM 482 O SER A 50 -13.412 -7.066 10.577 1.00 0.00 O ATOM 483 CB SER A 50 -12.994 -9.747 9.368 1.00 0.00 C ATOM 484 OG SER A 50 -12.210 -9.776 10.565 1.00 0.00 O ATOM 0 H SER A 50 -11.100 -7.702 9.468 1.00 0.00 H new ATOM 0 HA SER A 50 -13.297 -8.499 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.040 -9.937 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.671 -10.543 8.697 1.00 0.00 H new ATOM 0 HG SER A 50 -12.291 -8.917 11.030 1.00 0.00 H new ATOM 490 N PRO A 51 -14.464 -6.508 8.683 1.00 0.00 N ATOM 491 CA PRO A 51 -14.684 -6.645 7.241 1.00 0.00 C ATOM 492 C PRO A 51 -13.504 -6.073 6.436 1.00 0.00 C ATOM 493 O PRO A 51 -12.672 -5.337 6.986 1.00 0.00 O ATOM 494 CB PRO A 51 -15.936 -5.799 7.008 1.00 0.00 C ATOM 495 CG PRO A 51 -15.879 -4.752 8.059 1.00 0.00 C ATOM 496 CD PRO A 51 -15.269 -5.413 9.260 1.00 0.00 C ATOM 0 HA PRO A 51 -14.784 -7.684 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.938 -5.360 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.842 -6.399 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.279 -3.903 7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.875 -4.371 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.651 -4.718 9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.032 -5.792 9.940 1.00 0.00 H new ATOM 504 N PRO A 52 -13.377 -6.441 5.154 1.00 0.00 N ATOM 505 CA PRO A 52 -12.316 -5.919 4.303 1.00 0.00 C ATOM 506 C PRO A 52 -12.471 -4.413 4.089 1.00 0.00 C ATOM 507 O PRO A 52 -13.585 -3.862 4.185 1.00 0.00 O ATOM 508 CB PRO A 52 -12.498 -6.681 2.979 1.00 0.00 C ATOM 509 CG PRO A 52 -13.913 -7.141 2.996 1.00 0.00 C ATOM 510 CD PRO A 52 -14.248 -7.388 4.435 1.00 0.00 C ATOM 0 HA PRO A 52 -11.326 -6.056 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.302 -6.037 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.809 -7.523 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.573 -6.389 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.036 -8.049 2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.302 -7.201 4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.046 -8.419 4.724 1.00 0.00 H new ATOM 518 N TRP A 53 -11.395 -3.759 3.767 1.00 0.00 N ATOM 519 CA TRP A 53 -11.423 -2.331 3.592 1.00 0.00 C ATOM 520 C TRP A 53 -11.751 -2.020 2.181 1.00 0.00 C ATOM 521 O TRP A 53 -11.172 -2.603 1.274 1.00 0.00 O ATOM 522 CB TRP A 53 -10.074 -1.697 3.925 1.00 0.00 C ATOM 523 CG TRP A 53 -9.692 -1.749 5.373 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.527 -1.893 6.443 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.373 -1.626 5.911 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.804 -1.875 7.606 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.482 -1.711 7.308 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.109 -1.458 5.345 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.374 -1.631 8.150 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -6.012 -1.383 6.180 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.151 -1.470 7.567 1.00 0.00 C ATOM 0 H TRP A 53 -10.482 -4.190 3.619 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.175 -1.925 4.268 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.300 -2.197 3.342 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.090 -0.655 3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.599 -2.005 6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.191 -1.969 8.545 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.991 -1.388 4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.480 -1.694 9.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.028 -1.255 5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.272 -1.409 8.191 1.00 0.00 H new ATOM 542 N THR A 54 -12.682 -1.128 1.986 1.00 0.00 N ATOM 543 CA THR A 54 -13.053 -0.717 0.667 1.00 0.00 C ATOM 544 C THR A 54 -12.696 0.766 0.437 1.00 0.00 C ATOM 545 O THR A 54 -13.547 1.644 0.611 1.00 0.00 O ATOM 546 CB THR A 54 -14.558 -0.974 0.407 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.345 -0.365 1.448 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.850 -2.466 0.379 1.00 0.00 C ATOM 0 H THR A 54 -13.201 -0.669 2.735 1.00 0.00 H new ATOM 0 HA THR A 54 -12.486 -1.316 -0.046 1.00 0.00 H new ATOM 0 HB THR A 54 -14.816 -0.540 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.105 0.582 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.912 -2.625 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.270 -2.935 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.577 -2.908 1.337 1.00 0.00 H new ATOM 556 N PRO A 55 -11.406 1.072 0.168 1.00 0.00 N ATOM 557 CA PRO A 55 -10.962 2.432 -0.083 1.00 0.00 C ATOM 558 C PRO A 55 -11.294 2.906 -1.499 1.00 0.00 C ATOM 559 O PRO A 55 -11.486 2.101 -2.421 1.00 0.00 O ATOM 560 CB PRO A 55 -9.451 2.329 0.082 1.00 0.00 C ATOM 561 CG PRO A 55 -9.139 0.960 -0.370 1.00 0.00 C ATOM 562 CD PRO A 55 -10.271 0.121 0.122 1.00 0.00 C ATOM 0 HA PRO A 55 -11.446 3.148 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.931 3.076 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.150 2.486 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.056 0.913 -1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.188 0.617 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.473 -0.714 -0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.061 -0.302 1.104 1.00 0.00 H new ATOM 570 N GLY A 56 -11.354 4.198 -1.669 1.00 0.00 N ATOM 571 CA GLY A 56 -11.605 4.758 -2.962 1.00 0.00 C ATOM 572 C GLY A 56 -10.314 4.990 -3.708 1.00 0.00 C ATOM 573 O GLY A 56 -10.262 4.898 -4.931 1.00 0.00 O ATOM 0 H GLY A 56 -11.232 4.883 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.245 4.087 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.143 5.700 -2.857 1.00 0.00 H new ATOM 577 N SER A 57 -9.265 5.270 -2.976 1.00 0.00 N ATOM 578 CA SER A 57 -7.967 5.500 -3.546 1.00 0.00 C ATOM 579 C SER A 57 -6.902 5.146 -2.527 1.00 0.00 C ATOM 580 O SER A 57 -7.189 5.086 -1.334 1.00 0.00 O ATOM 581 CB SER A 57 -7.835 6.950 -4.057 1.00 0.00 C ATOM 582 OG SER A 57 -8.198 7.901 -3.078 1.00 0.00 O ATOM 0 H SER A 57 -9.291 5.345 -1.959 1.00 0.00 H new ATOM 0 HA SER A 57 -7.831 4.857 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.807 7.130 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.464 7.081 -4.938 1.00 0.00 H new ATOM 0 HG SER A 57 -9.151 7.808 -2.869 1.00 0.00 H new ATOM 588 N VAL A 58 -5.702 4.872 -2.979 1.00 0.00 N ATOM 589 CA VAL A 58 -4.616 4.473 -2.094 1.00 0.00 C ATOM 590 C VAL A 58 -3.373 5.210 -2.529 1.00 0.00 C ATOM 591 O VAL A 58 -3.181 5.406 -3.723 1.00 0.00 O ATOM 592 CB VAL A 58 -4.322 2.940 -2.219 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.255 2.500 -1.242 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.576 2.096 -2.048 1.00 0.00 C ATOM 0 H VAL A 58 -5.444 4.917 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.896 4.701 -1.066 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.952 2.779 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.076 1.431 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.333 3.046 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.586 2.706 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.320 1.041 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.005 2.278 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.302 2.364 -2.815 1.00 0.00 H new ATOM 604 N CYS A 59 -2.543 5.633 -1.608 1.00 0.00 N ATOM 605 CA CYS A 59 -1.309 6.272 -1.994 1.00 0.00 C ATOM 606 C CYS A 59 -0.186 5.957 -1.022 1.00 0.00 C ATOM 607 O CYS A 59 -0.419 5.751 0.185 1.00 0.00 O ATOM 608 CB CYS A 59 -1.464 7.790 -2.166 1.00 0.00 C ATOM 609 SG CYS A 59 0.046 8.588 -2.829 1.00 0.00 S ATOM 0 H CYS A 59 -2.694 5.549 -0.603 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.044 5.859 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.300 7.992 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.712 8.237 -1.203 1.00 0.00 H new ATOM 614 N VAL A 60 1.014 5.896 -1.556 1.00 0.00 N ATOM 615 CA VAL A 60 2.217 5.693 -0.790 1.00 0.00 C ATOM 616 C VAL A 60 3.089 6.924 -1.008 1.00 0.00 C ATOM 617 O VAL A 60 3.370 7.283 -2.156 1.00 0.00 O ATOM 618 CB VAL A 60 2.989 4.429 -1.267 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.237 4.182 -0.420 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.084 3.208 -1.250 1.00 0.00 C ATOM 0 H VAL A 60 1.181 5.989 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 60 1.967 5.547 0.261 1.00 0.00 H new ATOM 0 HB VAL A 60 3.312 4.608 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.751 3.292 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.903 5.041 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.947 4.037 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.644 2.336 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.722 3.037 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.236 3.374 -1.915 1.00 0.00 H new ATOM 630 N PRO A 61 3.499 7.607 0.069 1.00 0.00 N ATOM 631 CA PRO A 61 4.316 8.818 -0.034 1.00 0.00 C ATOM 632 C PRO A 61 5.679 8.539 -0.668 1.00 0.00 C ATOM 633 O PRO A 61 6.242 7.436 -0.518 1.00 0.00 O ATOM 634 CB PRO A 61 4.477 9.285 1.418 1.00 0.00 C ATOM 635 CG PRO A 61 4.172 8.088 2.250 1.00 0.00 C ATOM 636 CD PRO A 61 3.209 7.250 1.461 1.00 0.00 C ATOM 0 HA PRO A 61 3.850 9.567 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.488 9.647 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.797 10.106 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.081 7.529 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.737 8.381 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.362 6.186 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.175 7.473 1.725 1.00 0.00 H new ATOM 644 N PHE A 62 6.198 9.520 -1.369 1.00 0.00 N ATOM 645 CA PHE A 62 7.451 9.389 -2.049 1.00 0.00 C ATOM 646 C PHE A 62 8.583 9.349 -1.054 1.00 0.00 C ATOM 647 O PHE A 62 8.775 10.262 -0.252 1.00 0.00 O ATOM 648 CB PHE A 62 7.657 10.520 -3.072 1.00 0.00 C ATOM 649 CG PHE A 62 8.937 10.407 -3.870 1.00 0.00 C ATOM 650 CD1 PHE A 62 10.033 11.202 -3.572 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.044 9.495 -4.911 1.00 0.00 C ATOM 652 CE1 PHE A 62 11.202 11.093 -4.297 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.212 9.383 -5.638 1.00 0.00 C ATOM 654 CZ PHE A 62 11.292 10.183 -5.330 1.00 0.00 C ATOM 0 H PHE A 62 5.756 10.432 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 62 7.440 8.449 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.812 10.530 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.652 11.475 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.971 11.915 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.202 8.864 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.047 11.721 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.280 8.670 -6.446 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.207 10.097 -5.897 1.00 0.00 H new ATOM 664 N VAL A 63 9.290 8.280 -1.083 1.00 0.00 N ATOM 665 CA VAL A 63 10.416 8.093 -0.251 1.00 0.00 C ATOM 666 C VAL A 63 11.648 8.481 -1.039 1.00 0.00 C ATOM 667 O VAL A 63 11.857 8.000 -2.140 1.00 0.00 O ATOM 668 CB VAL A 63 10.488 6.627 0.274 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.739 6.381 1.077 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.253 6.324 1.113 1.00 0.00 C ATOM 0 H VAL A 63 9.096 7.493 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 63 10.344 8.725 0.634 1.00 0.00 H new ATOM 0 HB VAL A 63 10.519 5.960 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.751 5.348 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.614 6.564 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.759 7.053 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.305 5.299 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.211 7.010 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.359 6.446 0.502 1.00 0.00 H new ATOM 680 N ASN A 64 12.387 9.405 -0.495 1.00 0.00 N ATOM 681 CA ASN A 64 13.604 9.951 -1.111 1.00 0.00 C ATOM 682 C ASN A 64 14.785 9.606 -0.234 1.00 0.00 C ATOM 683 O ASN A 64 15.883 10.144 -0.373 1.00 0.00 O ATOM 684 CB ASN A 64 13.465 11.477 -1.222 1.00 0.00 C ATOM 685 CG ASN A 64 13.181 12.140 0.125 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.021 12.257 0.533 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.202 12.569 0.817 1.00 0.00 N ATOM 0 H ASN A 64 12.171 9.822 0.410 1.00 0.00 H new ATOM 0 HA ASN A 64 13.751 9.529 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.382 11.892 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.660 11.715 -1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.053 13.016 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.148 12.458 0.453 1.00 0.00 H new ATOM 694 N ASP A 65 14.527 8.688 0.643 1.00 0.00 N ATOM 695 CA ASP A 65 15.445 8.228 1.661 1.00 0.00 C ATOM 696 C ASP A 65 16.666 7.562 1.113 1.00 0.00 C ATOM 697 O ASP A 65 16.625 6.904 0.063 1.00 0.00 O ATOM 698 CB ASP A 65 14.745 7.337 2.667 1.00 0.00 C ATOM 699 CG ASP A 65 13.834 8.119 3.564 1.00 0.00 C ATOM 700 OD1 ASP A 65 14.148 8.271 4.762 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.806 8.624 3.082 1.00 0.00 O ATOM 0 H ASP A 65 13.627 8.209 0.678 1.00 0.00 H new ATOM 0 HA ASP A 65 15.796 9.125 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.170 6.575 2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.488 6.815 3.270 1.00 0.00 H new ATOM 706 N THR A 66 17.760 7.773 1.823 1.00 0.00 N ATOM 707 CA THR A 66 19.074 7.251 1.510 1.00 0.00 C ATOM 708 C THR A 66 19.089 5.695 1.587 1.00 0.00 C ATOM 709 O THR A 66 20.055 5.028 1.143 1.00 0.00 O ATOM 710 CB THR A 66 20.057 7.825 2.542 1.00 0.00 C ATOM 711 OG1 THR A 66 19.701 9.203 2.800 1.00 0.00 O ATOM 712 CG2 THR A 66 21.480 7.780 2.016 1.00 0.00 C ATOM 0 H THR A 66 17.754 8.339 2.672 1.00 0.00 H new ATOM 0 HA THR A 66 19.353 7.537 0.496 1.00 0.00 H new ATOM 0 HB THR A 66 20.001 7.229 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.319 9.583 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.158 8.192 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.757 6.747 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.549 8.369 1.101 1.00 0.00 H new ATOM 720 N LYS A 67 18.023 5.144 2.159 1.00 0.00 N ATOM 721 CA LYS A 67 17.818 3.709 2.280 1.00 0.00 C ATOM 722 C LYS A 67 17.800 3.104 0.877 1.00 0.00 C ATOM 723 O LYS A 67 17.258 3.712 -0.061 1.00 0.00 O ATOM 724 CB LYS A 67 16.464 3.430 2.961 1.00 0.00 C ATOM 725 CG LYS A 67 16.233 4.184 4.272 1.00 0.00 C ATOM 726 CD LYS A 67 17.250 3.830 5.336 1.00 0.00 C ATOM 727 CE LYS A 67 17.048 4.668 6.584 1.00 0.00 C ATOM 728 NZ LYS A 67 18.060 4.375 7.618 1.00 0.00 N ATOM 0 H LYS A 67 17.264 5.696 2.559 1.00 0.00 H new ATOM 0 HA LYS A 67 18.618 3.272 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.665 3.687 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.386 2.360 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.271 5.256 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.233 3.962 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.166 2.773 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.257 3.986 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.093 5.725 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.053 4.482 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.885 4.969 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.000 3.372 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.009 4.577 7.242 1.00 0.00 H new ATOM 742 N ARG A 68 18.384 1.938 0.722 1.00 0.00 N ATOM 743 CA ARG A 68 18.461 1.313 -0.591 1.00 0.00 C ATOM 744 C ARG A 68 17.129 0.683 -0.938 1.00 0.00 C ATOM 745 O ARG A 68 16.724 0.621 -2.109 1.00 0.00 O ATOM 746 CB ARG A 68 19.520 0.222 -0.591 1.00 0.00 C ATOM 747 CG ARG A 68 20.919 0.669 -0.231 1.00 0.00 C ATOM 748 CD ARG A 68 21.839 -0.535 -0.136 1.00 0.00 C ATOM 749 NE ARG A 68 23.204 -0.181 0.261 1.00 0.00 N ATOM 750 CZ ARG A 68 24.127 -1.059 0.680 1.00 0.00 C ATOM 751 NH1 ARG A 68 23.819 -2.350 0.779 1.00 0.00 N ATOM 752 NH2 ARG A 68 25.342 -0.647 1.000 1.00 0.00 N ATOM 0 H ARG A 68 18.811 1.402 1.478 1.00 0.00 H new ATOM 0 HA ARG A 68 18.718 2.079 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.215 -0.556 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.547 -0.233 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.292 1.364 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.906 1.203 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.429 -1.243 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.867 -1.042 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 68 23.471 0.802 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.882 -2.671 0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.520 -3.019 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 68 25.580 0.342 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 68 26.041 -1.318 1.318 1.00 0.00 H new ATOM 766 N GLU A 69 16.431 0.263 0.069 1.00 0.00 N ATOM 767 CA GLU A 69 15.170 -0.348 -0.106 1.00 0.00 C ATOM 768 C GLU A 69 14.067 0.575 0.333 1.00 0.00 C ATOM 769 O GLU A 69 14.118 1.178 1.401 1.00 0.00 O ATOM 770 CB GLU A 69 15.073 -1.736 0.560 1.00 0.00 C ATOM 771 CG GLU A 69 15.353 -1.792 2.060 1.00 0.00 C ATOM 772 CD GLU A 69 16.803 -1.582 2.409 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.558 -2.577 2.455 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.222 -0.426 2.611 1.00 0.00 O ATOM 0 H GLU A 69 16.731 0.339 1.041 1.00 0.00 H new ATOM 0 HA GLU A 69 15.048 -0.533 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.072 -2.129 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.771 -2.405 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.753 -1.033 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.031 -2.759 2.446 1.00 0.00 H new ATOM 781 N ARG A 70 13.118 0.721 -0.523 1.00 0.00 N ATOM 782 CA ARG A 70 11.989 1.572 -0.313 1.00 0.00 C ATOM 783 C ARG A 70 10.783 0.729 -0.013 1.00 0.00 C ATOM 784 O ARG A 70 10.730 -0.430 -0.411 1.00 0.00 O ATOM 785 CB ARG A 70 11.750 2.460 -1.541 1.00 0.00 C ATOM 786 CG ARG A 70 12.548 3.764 -1.559 1.00 0.00 C ATOM 787 CD ARG A 70 14.050 3.559 -1.437 1.00 0.00 C ATOM 788 NE ARG A 70 14.600 2.702 -2.509 1.00 0.00 N ATOM 789 CZ ARG A 70 14.817 3.070 -3.780 1.00 0.00 C ATOM 790 NH1 ARG A 70 14.600 4.327 -4.166 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.281 2.180 -4.652 1.00 0.00 N ATOM 0 H ARG A 70 13.101 0.237 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 70 12.181 2.228 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.995 1.889 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.688 2.700 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.336 4.297 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.209 4.399 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.548 4.528 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.274 3.111 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 70 14.836 1.742 -2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.267 5.017 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.767 4.599 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.470 1.223 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.448 2.454 -5.620 1.00 0.00 H new ATOM 805 N PRO A 71 9.812 1.269 0.696 1.00 0.00 N ATOM 806 CA PRO A 71 8.630 0.518 1.057 1.00 0.00 C ATOM 807 C PRO A 71 7.706 0.331 -0.151 1.00 0.00 C ATOM 808 O PRO A 71 7.448 1.274 -0.912 1.00 0.00 O ATOM 809 CB PRO A 71 7.990 1.398 2.134 1.00 0.00 C ATOM 810 CG PRO A 71 8.379 2.782 1.753 1.00 0.00 C ATOM 811 CD PRO A 71 9.764 2.662 1.176 1.00 0.00 C ATOM 0 HA PRO A 71 8.842 -0.493 1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.907 1.280 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.356 1.141 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.684 3.199 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.370 3.445 2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.925 3.373 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.531 2.856 1.926 1.00 0.00 H new ATOM 819 N TYR A 72 7.233 -0.864 -0.320 1.00 0.00 N ATOM 820 CA TYR A 72 6.378 -1.205 -1.412 1.00 0.00 C ATOM 821 C TYR A 72 5.177 -1.909 -0.809 1.00 0.00 C ATOM 822 O TYR A 72 5.333 -2.839 -0.020 1.00 0.00 O ATOM 823 CB TYR A 72 7.131 -2.133 -2.379 1.00 0.00 C ATOM 824 CG TYR A 72 6.540 -2.196 -3.765 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.986 -1.329 -4.749 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.544 -3.100 -4.094 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.459 -1.355 -6.021 1.00 0.00 C ATOM 828 CE2 TYR A 72 5.012 -3.138 -5.366 1.00 0.00 C ATOM 829 CZ TYR A 72 5.474 -2.260 -6.329 1.00 0.00 C ATOM 830 OH TYR A 72 4.930 -2.277 -7.610 1.00 0.00 O ATOM 0 H TYR A 72 7.434 -1.642 0.308 1.00 0.00 H new ATOM 0 HA TYR A 72 6.064 -0.327 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.166 -1.799 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.150 -3.138 -1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.764 -0.617 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.178 -3.785 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.819 -0.667 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.238 -3.851 -5.609 1.00 0.00 H new ATOM 0 HH TYR A 72 3.979 -2.045 -7.565 1.00 0.00 H new ATOM 840 N TRP A 73 4.013 -1.478 -1.141 1.00 0.00 N ATOM 841 CA TRP A 73 2.836 -1.992 -0.514 1.00 0.00 C ATOM 842 C TRP A 73 2.022 -2.829 -1.466 1.00 0.00 C ATOM 843 O TRP A 73 1.757 -2.429 -2.599 1.00 0.00 O ATOM 844 CB TRP A 73 2.005 -0.844 0.056 1.00 0.00 C ATOM 845 CG TRP A 73 2.683 -0.103 1.178 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.561 0.933 1.076 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.511 -0.343 2.568 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.934 1.359 2.324 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.301 0.590 3.259 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.754 -1.253 3.295 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.350 0.636 4.648 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.798 -1.210 4.667 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.589 -0.272 5.333 1.00 0.00 C ATOM 0 H TRP A 73 3.844 -0.764 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 73 3.142 -2.644 0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.775 -0.141 -0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.055 -1.239 0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.912 1.357 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.578 2.124 2.522 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.140 -1.983 2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.964 1.359 5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.211 -1.913 5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.601 -0.263 6.413 1.00 0.00 H new ATOM 864 N TYR A 74 1.664 -3.989 -1.016 1.00 0.00 N ATOM 865 CA TYR A 74 0.826 -4.880 -1.756 1.00 0.00 C ATOM 866 C TYR A 74 -0.511 -4.986 -1.077 1.00 0.00 C ATOM 867 O TYR A 74 -0.587 -5.037 0.151 1.00 0.00 O ATOM 868 CB TYR A 74 1.457 -6.262 -1.902 1.00 0.00 C ATOM 869 CG TYR A 74 2.438 -6.399 -3.050 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.801 -6.459 -2.831 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.985 -6.488 -4.364 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.688 -6.605 -3.883 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.861 -6.627 -5.418 1.00 0.00 C ATOM 874 CZ TYR A 74 4.210 -6.688 -5.175 1.00 0.00 C ATOM 875 OH TYR A 74 5.091 -6.834 -6.228 1.00 0.00 O ATOM 0 H TYR A 74 1.951 -4.351 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 74 0.699 -4.475 -2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.970 -6.511 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.662 -6.996 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.180 -6.391 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.924 -6.447 -4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.750 -6.654 -3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.488 -6.688 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 74 4.591 -6.878 -7.070 1.00 0.00 H new ATOM 885 N LEU A 75 -1.544 -5.064 -1.858 1.00 0.00 N ATOM 886 CA LEU A 75 -2.890 -5.101 -1.352 1.00 0.00 C ATOM 887 C LEU A 75 -3.520 -6.328 -1.934 1.00 0.00 C ATOM 888 O LEU A 75 -3.241 -6.676 -3.088 1.00 0.00 O ATOM 889 CB LEU A 75 -3.666 -3.874 -1.872 1.00 0.00 C ATOM 890 CG LEU A 75 -2.956 -2.514 -1.776 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.813 -1.421 -2.374 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.604 -2.177 -0.346 1.00 0.00 C ATOM 0 H LEU A 75 -1.481 -5.104 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.902 -5.103 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.921 -4.051 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.604 -3.807 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.029 -2.585 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.292 -0.467 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.007 -1.644 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.758 -1.364 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.103 -1.209 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.514 -2.135 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.940 -2.943 0.056 1.00 0.00 H new ATOM 904 N PHE A 76 -4.330 -6.996 -1.156 1.00 0.00 N ATOM 905 CA PHE A 76 -4.924 -8.238 -1.573 1.00 0.00 C ATOM 906 C PHE A 76 -6.397 -8.236 -1.314 1.00 0.00 C ATOM 907 O PHE A 76 -6.856 -7.789 -0.268 1.00 0.00 O ATOM 908 CB PHE A 76 -4.277 -9.411 -0.835 1.00 0.00 C ATOM 909 CG PHE A 76 -2.810 -9.516 -1.076 1.00 0.00 C ATOM 910 CD1 PHE A 76 -1.908 -8.840 -0.268 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.330 -10.260 -2.125 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.562 -8.907 -0.515 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.987 -10.337 -2.365 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.102 -9.658 -1.567 1.00 0.00 C ATOM 0 H PHE A 76 -4.596 -6.696 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.755 -8.349 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.457 -9.303 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.758 -10.338 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.270 -8.255 0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.020 -10.789 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.133 -8.372 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.621 -10.935 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.958 -9.715 -1.767 1.00 0.00 H new ATOM 924 N ASP A 77 -7.121 -8.765 -2.249 1.00 0.00 N ATOM 925 CA ASP A 77 -8.578 -8.847 -2.191 1.00 0.00 C ATOM 926 C ASP A 77 -9.060 -9.974 -1.275 1.00 0.00 C ATOM 927 O ASP A 77 -10.199 -9.958 -0.809 1.00 0.00 O ATOM 928 CB ASP A 77 -9.115 -8.955 -3.624 1.00 0.00 C ATOM 929 CG ASP A 77 -10.541 -9.432 -3.800 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.480 -8.694 -3.477 1.00 0.00 O ATOM 931 OD2 ASP A 77 -10.730 -10.525 -4.368 1.00 0.00 O ATOM 0 H ASP A 77 -6.724 -9.165 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.980 -7.941 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.028 -7.974 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.463 -9.631 -4.178 1.00 0.00 H new ATOM 936 N ASN A 78 -8.189 -10.925 -0.965 1.00 0.00 N ATOM 937 CA ASN A 78 -8.541 -11.983 -0.033 1.00 0.00 C ATOM 938 C ASN A 78 -7.500 -12.044 1.084 1.00 0.00 C ATOM 939 O ASN A 78 -6.417 -11.471 0.946 1.00 0.00 O ATOM 940 CB ASN A 78 -8.671 -13.331 -0.743 1.00 0.00 C ATOM 941 CG ASN A 78 -9.414 -14.339 0.108 1.00 0.00 C ATOM 942 OD1 ASN A 78 -8.830 -15.152 0.830 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.696 -14.237 0.079 1.00 0.00 N ATOM 0 H ASN A 78 -7.243 -10.984 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.515 -11.758 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.195 -13.196 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.679 -13.715 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.269 -14.842 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.139 -13.551 -0.532 1.00 0.00 H new ATOM 950 N VAL A 79 -7.843 -12.693 2.200 1.00 0.00 N ATOM 951 CA VAL A 79 -6.959 -12.808 3.361 1.00 0.00 C ATOM 952 C VAL A 79 -5.752 -13.674 3.055 1.00 0.00 C ATOM 953 O VAL A 79 -5.707 -14.357 2.021 1.00 0.00 O ATOM 954 CB VAL A 79 -7.674 -13.398 4.615 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.837 -12.539 5.049 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.121 -14.830 4.370 1.00 0.00 C ATOM 0 H VAL A 79 -8.744 -13.154 2.323 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.647 -11.788 3.584 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.948 -13.404 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.310 -12.982 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.479 -11.540 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.563 -12.474 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.616 -15.214 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.815 -14.856 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.253 -15.448 4.142 1.00 0.00 H new ATOM 966 N ASN A 80 -4.779 -13.634 3.961 1.00 0.00 N ATOM 967 CA ASN A 80 -3.535 -14.408 3.855 1.00 0.00 C ATOM 968 C ASN A 80 -2.813 -14.140 2.546 1.00 0.00 C ATOM 969 O ASN A 80 -2.062 -14.983 2.046 1.00 0.00 O ATOM 970 CB ASN A 80 -3.776 -15.921 4.049 1.00 0.00 C ATOM 971 CG ASN A 80 -4.060 -16.317 5.492 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.133 -16.534 6.285 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.315 -16.476 5.830 1.00 0.00 N ATOM 0 H ASN A 80 -4.828 -13.058 4.801 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.890 -14.070 4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.615 -16.229 3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.901 -16.467 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.554 -16.788 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.054 -16.288 5.152 1.00 0.00 H new ATOM 980 N TYR A 81 -2.998 -12.914 2.048 1.00 0.00 N ATOM 981 CA TYR A 81 -2.338 -12.392 0.865 1.00 0.00 C ATOM 982 C TYR A 81 -2.655 -13.224 -0.372 1.00 0.00 C ATOM 983 O TYR A 81 -1.768 -13.531 -1.176 1.00 0.00 O ATOM 984 CB TYR A 81 -0.818 -12.292 1.111 1.00 0.00 C ATOM 985 CG TYR A 81 -0.500 -11.664 2.448 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.033 -10.444 2.791 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.294 -12.318 3.381 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.808 -9.896 4.015 1.00 0.00 C ATOM 989 CE2 TYR A 81 0.542 -11.760 4.609 1.00 0.00 C ATOM 990 CZ TYR A 81 -0.023 -10.546 4.924 1.00 0.00 C ATOM 991 OH TYR A 81 0.144 -10.000 6.173 1.00 0.00 O ATOM 0 H TYR A 81 -3.634 -12.242 2.477 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.722 -11.391 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.377 -13.288 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.360 -11.703 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.641 -9.911 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.722 -13.279 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.251 -8.944 4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.174 -12.269 5.322 1.00 0.00 H new ATOM 0 HH TYR A 81 0.890 -10.444 6.627 1.00 0.00 H new ATOM 1001 N THR A 82 -3.919 -13.548 -0.549 1.00 0.00 N ATOM 1002 CA THR A 82 -4.338 -14.328 -1.687 1.00 0.00 C ATOM 1003 C THR A 82 -5.329 -13.535 -2.544 1.00 0.00 C ATOM 1004 O THR A 82 -5.721 -12.405 -2.185 1.00 0.00 O ATOM 1005 CB THR A 82 -4.985 -15.666 -1.243 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.121 -15.411 -0.408 1.00 0.00 O ATOM 1007 CG2 THR A 82 -3.997 -16.523 -0.480 1.00 0.00 C ATOM 0 H THR A 82 -4.673 -13.281 0.084 1.00 0.00 H new ATOM 0 HA THR A 82 -3.451 -14.553 -2.279 1.00 0.00 H new ATOM 0 HB THR A 82 -5.296 -16.199 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.818 -15.105 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.478 -17.454 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.140 -16.745 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.660 -15.988 0.408 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.731 -14.115 -3.660 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.689 -13.489 -4.517 1.00 0.00 C ATOM 1017 C GLY A 83 -6.049 -12.508 -5.451 1.00 0.00 C ATOM 1018 O GLY A 83 -5.024 -12.806 -6.069 1.00 0.00 O ATOM 0 H GLY A 83 -5.400 -15.023 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.212 -14.251 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.438 -12.978 -3.912 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.636 -11.352 -5.558 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.121 -10.295 -6.411 1.00 0.00 C ATOM 1024 C ARG A 84 -5.015 -9.559 -5.691 1.00 0.00 C ATOM 1025 O ARG A 84 -5.063 -9.428 -4.461 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.233 -9.334 -6.762 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.351 -9.956 -7.552 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.531 -9.017 -7.638 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.597 -9.520 -8.493 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.799 -9.955 -8.074 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.055 -10.132 -6.769 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.727 -10.255 -8.968 1.00 0.00 N ATOM 0 H ARG A 84 -7.490 -11.104 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.725 -10.731 -7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.641 -8.915 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.816 -8.504 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.001 -10.201 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.658 -10.891 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.926 -8.846 -6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.194 -8.052 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.417 -9.545 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.332 -9.936 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.972 -10.463 -6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.527 -10.156 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.642 -10.586 -8.662 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.048 -9.068 -6.440 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.887 -8.424 -5.855 1.00 0.00 C ATOM 1048 C ILE A 85 -2.649 -7.052 -6.507 1.00 0.00 C ATOM 1049 O ILE A 85 -2.812 -6.888 -7.730 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.616 -9.345 -5.999 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.416 -8.774 -5.251 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.243 -9.532 -7.454 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.822 -9.668 -5.301 1.00 0.00 C ATOM 0 H ILE A 85 -4.043 -9.103 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.073 -8.267 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.878 -10.308 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.167 -7.800 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.693 -8.610 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.363 -10.171 -7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.073 -9.997 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.024 -8.562 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.634 -9.196 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.591 -10.635 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.125 -9.812 -6.338 1.00 0.00 H new ATOM 1065 N THR A 86 -2.342 -6.078 -5.702 1.00 0.00 N ATOM 1066 CA THR A 86 -2.040 -4.747 -6.187 1.00 0.00 C ATOM 1067 C THR A 86 -0.744 -4.247 -5.553 1.00 0.00 C ATOM 1068 O THR A 86 -0.632 -4.222 -4.336 1.00 0.00 O ATOM 1069 CB THR A 86 -3.212 -3.769 -5.902 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.387 -4.232 -6.560 1.00 0.00 O ATOM 1071 CG2 THR A 86 -2.898 -2.369 -6.387 1.00 0.00 C ATOM 0 H THR A 86 -2.292 -6.175 -4.688 1.00 0.00 H new ATOM 0 HA THR A 86 -1.907 -4.791 -7.268 1.00 0.00 H new ATOM 0 HB THR A 86 -3.365 -3.735 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.982 -4.656 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.740 -1.712 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.009 -1.998 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.719 -2.388 -7.462 1.00 0.00 H new ATOM 1079 N GLY A 87 0.233 -3.893 -6.369 1.00 0.00 N ATOM 1080 CA GLY A 87 1.501 -3.431 -5.847 1.00 0.00 C ATOM 1081 C GLY A 87 1.785 -1.959 -6.086 1.00 0.00 C ATOM 1082 O GLY A 87 2.090 -1.552 -7.215 1.00 0.00 O ATOM 0 H GLY A 87 0.172 -3.917 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.529 -3.623 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.300 -4.019 -6.297 1.00 0.00 H new ATOM 1086 N LEU A 88 1.754 -1.185 -5.031 1.00 0.00 N ATOM 1087 CA LEU A 88 2.011 0.248 -5.095 1.00 0.00 C ATOM 1088 C LEU A 88 3.397 0.570 -4.596 1.00 0.00 C ATOM 1089 O LEU A 88 3.899 -0.072 -3.662 1.00 0.00 O ATOM 1090 CB LEU A 88 0.949 1.033 -4.298 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.212 1.625 -5.108 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.242 2.869 -5.856 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.750 0.598 -6.092 1.00 0.00 C ATOM 0 H LEU A 88 1.549 -1.526 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 88 1.947 0.554 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.533 0.371 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.449 1.847 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.007 1.901 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.593 3.276 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.593 3.615 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.052 2.609 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.573 1.033 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.044 0.299 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.107 -0.276 -5.547 1.00 0.00 H new ATOM 1105 N GLY A 89 3.999 1.559 -5.205 1.00 0.00 N ATOM 1106 CA GLY A 89 5.322 1.952 -4.850 1.00 0.00 C ATOM 1107 C GLY A 89 5.377 3.344 -4.295 1.00 0.00 C ATOM 1108 O GLY A 89 4.358 4.059 -4.271 1.00 0.00 O ATOM 0 H GLY A 89 3.581 2.107 -5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.720 1.254 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.965 1.889 -5.728 1.00 0.00 H new ATOM 1112 N HIS A 90 6.554 3.743 -3.868 1.00 0.00 N ATOM 1113 CA HIS A 90 6.755 5.033 -3.233 1.00 0.00 C ATOM 1114 C HIS A 90 6.515 6.197 -4.199 1.00 0.00 C ATOM 1115 O HIS A 90 7.144 6.298 -5.259 1.00 0.00 O ATOM 1116 CB HIS A 90 8.150 5.139 -2.554 1.00 0.00 C ATOM 1117 CG HIS A 90 9.354 5.062 -3.479 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.167 6.140 -3.817 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.885 4.001 -4.112 1.00 0.00 C ATOM 1120 CE1 HIS A 90 11.129 5.691 -4.625 1.00 0.00 C ATOM 1121 NE2 HIS A 90 11.006 4.400 -4.835 1.00 0.00 N ATOM 0 H HIS A 90 7.403 3.183 -3.950 1.00 0.00 H new ATOM 0 HA HIS A 90 6.005 5.108 -2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.196 6.083 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.233 4.341 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.500 2.993 -4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.907 6.308 -5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.608 3.811 -5.410 1.00 0.00 H new ATOM 1129 N GLY A 91 5.599 7.052 -3.834 1.00 0.00 N ATOM 1130 CA GLY A 91 5.308 8.218 -4.619 1.00 0.00 C ATOM 1131 C GLY A 91 4.215 7.984 -5.614 1.00 0.00 C ATOM 1132 O GLY A 91 3.860 8.878 -6.369 1.00 0.00 O ATOM 0 H GLY A 91 5.036 6.960 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.022 9.035 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.210 8.533 -5.143 1.00 0.00 H new ATOM 1136 N THR A 92 3.679 6.805 -5.623 1.00 0.00 N ATOM 1137 CA THR A 92 2.643 6.481 -6.540 1.00 0.00 C ATOM 1138 C THR A 92 1.313 6.409 -5.784 1.00 0.00 C ATOM 1139 O THR A 92 1.270 6.013 -4.600 1.00 0.00 O ATOM 1140 CB THR A 92 2.959 5.127 -7.201 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.332 5.145 -7.642 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.059 4.881 -8.407 1.00 0.00 C ATOM 0 H THR A 92 3.948 6.046 -4.997 1.00 0.00 H new ATOM 0 HA THR A 92 2.571 7.244 -7.315 1.00 0.00 H new ATOM 0 HB THR A 92 2.789 4.332 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.551 4.288 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.305 3.918 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.017 4.878 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.212 5.671 -9.142 1.00 0.00 H new ATOM 1150 N CYS A 93 0.252 6.793 -6.436 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.050 6.732 -5.837 1.00 0.00 C ATOM 1152 C CYS A 93 -2.013 6.172 -6.852 1.00 0.00 C ATOM 1153 O CYS A 93 -1.817 6.330 -8.057 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.589 8.106 -5.456 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.445 9.318 -4.664 1.00 0.00 S ATOM 0 H CYS A 93 0.265 7.154 -7.390 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.959 6.121 -4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.986 8.568 -6.360 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.430 7.955 -4.780 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.026 5.527 -6.383 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.081 5.045 -7.219 1.00 0.00 C ATOM 1162 C ILE A 94 -5.151 6.095 -7.231 1.00 0.00 C ATOM 1163 O ILE A 94 -5.582 6.540 -6.165 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.692 3.764 -6.657 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.611 2.743 -6.402 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.725 3.205 -7.629 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.122 1.444 -5.813 1.00 0.00 C ATOM 0 H ILE A 94 -3.150 5.314 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.685 4.836 -8.213 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.187 3.994 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.098 2.529 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.872 3.172 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.154 2.291 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.515 3.940 -7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.245 2.983 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.287 0.761 -5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.609 1.644 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.839 0.991 -6.498 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.557 6.503 -8.394 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.608 7.518 -8.528 1.00 0.00 C ATOM 1181 C ASP A 95 -7.953 6.947 -8.118 1.00 0.00 C ATOM 1182 O ASP A 95 -8.684 7.536 -7.318 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.696 8.052 -9.963 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.509 8.885 -10.383 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.439 8.318 -10.686 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.629 10.127 -10.466 1.00 0.00 O ATOM 0 H ASP A 95 -5.187 6.159 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.347 8.345 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.796 7.210 -10.648 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.601 8.652 -10.062 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.249 5.774 -8.624 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.495 5.109 -8.343 1.00 0.00 C ATOM 1193 C ASP A 96 -9.248 3.658 -8.038 1.00 0.00 C ATOM 1194 O ASP A 96 -9.163 2.832 -8.957 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.451 5.134 -9.525 1.00 0.00 C ATOM 1196 CG ASP A 96 -10.998 6.466 -9.967 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.224 6.681 -9.814 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.250 7.293 -10.533 1.00 0.00 O ATOM 0 H ASP A 96 -7.629 5.253 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.934 5.643 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.940 4.684 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.297 4.490 -9.284 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.106 3.332 -6.784 1.00 0.00 N ATOM 1204 CA PHE A 97 -8.905 1.955 -6.379 1.00 0.00 C ATOM 1205 C PHE A 97 -10.137 1.123 -6.700 1.00 0.00 C ATOM 1206 O PHE A 97 -10.038 -0.015 -7.106 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.546 1.843 -4.898 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.251 0.433 -4.498 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.129 -0.285 -3.715 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.105 -0.182 -4.944 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.860 -1.591 -3.388 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -6.825 -1.484 -4.619 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.704 -2.190 -3.841 1.00 0.00 C ATOM 0 H PHE A 97 -9.125 4.001 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.060 1.565 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.679 2.469 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.370 2.226 -4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.034 0.183 -3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.413 0.371 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.554 -2.149 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.918 -1.950 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.491 -3.217 -3.582 1.00 0.00 H new ATOM 1223 N THR A 98 -11.284 1.746 -6.599 1.00 0.00 N ATOM 1224 CA THR A 98 -12.547 1.068 -6.807 1.00 0.00 C ATOM 1225 C THR A 98 -12.690 0.586 -8.283 1.00 0.00 C ATOM 1226 O THR A 98 -13.391 -0.388 -8.574 1.00 0.00 O ATOM 1227 CB THR A 98 -13.737 1.984 -6.365 1.00 0.00 C ATOM 1228 OG1 THR A 98 -14.994 1.319 -6.499 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.762 3.286 -7.153 1.00 0.00 C ATOM 0 H THR A 98 -11.373 2.736 -6.371 1.00 0.00 H new ATOM 0 HA THR A 98 -12.571 0.175 -6.182 1.00 0.00 H new ATOM 0 HB THR A 98 -13.576 2.214 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.714 1.919 -6.213 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.601 3.897 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.831 3.828 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.872 3.067 -8.215 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.969 1.243 -9.189 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.990 0.903 -10.604 1.00 0.00 C ATOM 1239 C LYS A 99 -10.862 -0.084 -10.921 1.00 0.00 C ATOM 1240 O LYS A 99 -10.778 -0.601 -12.028 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.781 2.163 -11.449 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.657 3.342 -11.057 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.111 3.153 -11.337 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.913 4.336 -10.788 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.399 5.658 -11.248 1.00 0.00 N ATOM 0 H LYS A 99 -11.355 2.025 -8.960 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.956 0.454 -10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.736 2.464 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.970 1.919 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.527 3.537 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.310 4.229 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.273 3.061 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.459 2.226 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.955 4.233 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.894 4.305 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.179 6.346 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.662 5.990 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.997 5.561 -12.202 1.00 0.00 H new ATOM 1259 N SER A 100 -10.008 -0.349 -9.936 1.00 0.00 N ATOM 1260 CA SER A 100 -8.825 -1.202 -10.106 1.00 0.00 C ATOM 1261 C SER A 100 -9.172 -2.689 -9.932 1.00 0.00 C ATOM 1262 O SER A 100 -8.391 -3.473 -9.368 1.00 0.00 O ATOM 1263 CB SER A 100 -7.767 -0.789 -9.085 1.00 0.00 C ATOM 1264 OG SER A 100 -7.465 0.599 -9.209 1.00 0.00 O ATOM 0 H SER A 100 -10.114 0.021 -8.992 1.00 0.00 H new ATOM 0 HA SER A 100 -8.443 -1.071 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.124 -1.000 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.862 -1.378 -9.232 1.00 0.00 H new ATOM 0 HG SER A 100 -8.268 1.127 -9.019 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.314 -3.081 -10.427 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.727 -4.441 -10.317 1.00 0.00 C ATOM 1272 C GLY A 101 -11.467 -4.679 -9.032 1.00 0.00 C ATOM 1273 O GLY A 101 -12.702 -4.785 -9.028 1.00 0.00 O ATOM 0 H GLY A 101 -10.973 -2.471 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.366 -4.700 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.856 -5.094 -10.365 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.741 -4.713 -7.944 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.326 -4.953 -6.650 1.00 0.00 C ATOM 1279 C PHE A 102 -11.283 -3.702 -5.827 1.00 0.00 C ATOM 1280 O PHE A 102 -10.393 -2.885 -6.001 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.642 -6.118 -5.920 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.199 -5.926 -5.508 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.870 -5.739 -4.174 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.176 -5.982 -6.433 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.559 -5.614 -3.777 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -6.864 -5.850 -6.037 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.556 -5.669 -4.708 1.00 0.00 C ATOM 0 H PHE A 102 -9.730 -4.575 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.367 -5.240 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.222 -6.342 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.695 -6.997 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.656 -5.691 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.407 -6.131 -7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.321 -5.473 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.074 -5.889 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.526 -5.571 -4.400 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.258 -3.528 -4.971 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.281 -2.353 -4.125 1.00 0.00 C ATOM 1299 C LYS A 103 -12.088 -2.766 -2.667 1.00 0.00 C ATOM 1300 O LYS A 103 -11.927 -1.929 -1.800 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.608 -1.543 -4.294 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.812 -2.017 -3.451 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.248 -3.449 -3.742 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.233 -3.932 -2.688 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.514 -3.200 -2.716 1.00 0.00 N ATOM 0 H LYS A 103 -13.038 -4.172 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.463 -1.700 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.406 -0.501 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.894 -1.571 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.558 -1.933 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.654 -1.348 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.708 -3.502 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.377 -4.104 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.425 -4.994 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.782 -3.826 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.143 -3.573 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.340 -2.189 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.963 -3.322 -3.646 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.105 -4.063 -2.418 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.044 -4.545 -1.071 1.00 0.00 C ATOM 1321 C GLY A 104 -10.776 -5.280 -0.788 1.00 0.00 C ATOM 1322 O GLY A 104 -10.539 -6.355 -1.329 1.00 0.00 O ATOM 0 H GLY A 104 -12.160 -4.789 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.135 -3.705 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.892 -5.204 -0.885 1.00 0.00 H new ATOM 1326 N ILE A 105 -9.966 -4.712 0.049 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.717 -5.315 0.416 1.00 0.00 C ATOM 1328 C ILE A 105 -8.949 -6.108 1.693 1.00 0.00 C ATOM 1329 O ILE A 105 -9.336 -5.547 2.723 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.685 -4.185 0.686 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.539 -3.330 -0.561 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.347 -4.746 1.104 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.790 -2.049 -0.337 1.00 0.00 C ATOM 0 H ILE A 105 -10.149 -3.816 0.500 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.343 -5.967 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.050 -3.571 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.026 -3.909 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.531 -3.096 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.650 -3.928 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.466 -5.329 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.958 -5.386 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.728 -1.495 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.313 -1.447 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.784 -2.273 0.019 1.00 0.00 H new ATOM 1345 N SER A 106 -8.796 -7.397 1.596 1.00 0.00 N ATOM 1346 CA SER A 106 -8.940 -8.275 2.716 1.00 0.00 C ATOM 1347 C SER A 106 -7.625 -8.409 3.518 1.00 0.00 C ATOM 1348 O SER A 106 -7.641 -8.742 4.699 1.00 0.00 O ATOM 1349 CB SER A 106 -9.508 -9.611 2.278 1.00 0.00 C ATOM 1350 OG SER A 106 -10.115 -10.299 3.349 1.00 0.00 O ATOM 0 H SER A 106 -8.565 -7.872 0.724 1.00 0.00 H new ATOM 0 HA SER A 106 -9.659 -7.834 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.240 -9.453 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.711 -10.224 1.857 1.00 0.00 H new ATOM 0 HG SER A 106 -10.733 -10.973 2.997 1.00 0.00 H new ATOM 1356 N SER A 107 -6.486 -8.204 2.855 1.00 0.00 N ATOM 1357 CA SER A 107 -5.188 -8.262 3.534 1.00 0.00 C ATOM 1358 C SER A 107 -4.157 -7.367 2.826 1.00 0.00 C ATOM 1359 O SER A 107 -4.314 -7.055 1.648 1.00 0.00 O ATOM 1360 CB SER A 107 -4.691 -9.724 3.684 1.00 0.00 C ATOM 1361 OG SER A 107 -4.521 -10.387 2.443 1.00 0.00 O ATOM 0 H SER A 107 -6.434 -7.998 1.857 1.00 0.00 H new ATOM 0 HA SER A 107 -5.317 -7.870 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.743 -9.725 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.403 -10.282 4.292 1.00 0.00 H new ATOM 0 HG SER A 107 -5.395 -10.519 2.020 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.120 -6.951 3.545 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.110 -6.024 3.022 1.00 0.00 C ATOM 1369 C ILE A 108 -0.735 -6.519 3.415 1.00 0.00 C ATOM 1370 O ILE A 108 -0.524 -6.847 4.573 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.267 -4.599 3.633 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.680 -4.067 3.446 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.244 -3.639 3.045 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.861 -2.684 3.993 1.00 0.00 C ATOM 0 H ILE A 108 -2.952 -7.244 4.507 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.238 -5.976 1.941 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.082 -4.678 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.925 -4.067 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.384 -4.740 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.375 -2.652 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.239 -4.002 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.384 -3.574 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.889 -2.360 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.646 -2.684 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.180 -2.000 3.486 1.00 0.00 H new ATOM 1386 N LYS A 109 0.195 -6.550 2.492 1.00 0.00 N ATOM 1387 CA LYS A 109 1.533 -7.004 2.808 1.00 0.00 C ATOM 1388 C LYS A 109 2.515 -5.894 2.476 1.00 0.00 C ATOM 1389 O LYS A 109 2.472 -5.333 1.371 1.00 0.00 O ATOM 1390 CB LYS A 109 1.896 -8.264 2.013 1.00 0.00 C ATOM 1391 CG LYS A 109 3.098 -9.027 2.575 1.00 0.00 C ATOM 1392 CD LYS A 109 3.608 -10.102 1.618 1.00 0.00 C ATOM 1393 CE LYS A 109 2.554 -11.087 1.207 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.089 -12.097 0.276 1.00 0.00 N ATOM 0 H LYS A 109 0.055 -6.269 1.522 1.00 0.00 H new ATOM 0 HA LYS A 109 1.578 -7.251 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.033 -8.930 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.107 -7.983 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.903 -8.324 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.820 -9.490 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.012 -9.622 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.430 -10.638 2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.153 -11.582 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.726 -10.559 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.302 -12.610 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.655 -11.627 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.688 -12.768 0.798 1.00 0.00 H new ATOM 1408 N ARG A 110 3.356 -5.548 3.411 1.00 0.00 N ATOM 1409 CA ARG A 110 4.343 -4.528 3.181 1.00 0.00 C ATOM 1410 C ARG A 110 5.660 -5.176 2.789 1.00 0.00 C ATOM 1411 O ARG A 110 6.245 -5.952 3.556 1.00 0.00 O ATOM 1412 CB ARG A 110 4.557 -3.679 4.428 1.00 0.00 C ATOM 1413 CG ARG A 110 5.430 -2.456 4.197 1.00 0.00 C ATOM 1414 CD ARG A 110 5.844 -1.823 5.511 1.00 0.00 C ATOM 1415 NE ARG A 110 6.820 -2.653 6.216 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.098 -2.595 7.514 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.347 -1.881 8.336 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.105 -3.301 7.999 1.00 0.00 N ATOM 0 H ARG A 110 3.378 -5.959 4.344 1.00 0.00 H new ATOM 0 HA ARG A 110 3.985 -3.883 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.587 -3.355 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.011 -4.297 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.317 -2.741 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.888 -1.727 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.269 -0.837 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.966 -1.677 6.140 1.00 0.00 H new ATOM 0 HE ARG A 110 7.333 -3.338 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.543 -1.366 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.571 -1.845 9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.664 -3.886 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.323 -3.261 8.995 1.00 0.00 H new ATOM 1432 N CYS A 111 6.132 -4.829 1.649 1.00 0.00 N ATOM 1433 CA CYS A 111 7.342 -5.358 1.104 1.00 0.00 C ATOM 1434 C CYS A 111 8.304 -4.220 0.905 1.00 0.00 C ATOM 1435 O CYS A 111 7.951 -3.056 1.112 1.00 0.00 O ATOM 1436 CB CYS A 111 7.029 -6.018 -0.233 1.00 0.00 C ATOM 1437 SG CYS A 111 5.746 -7.307 -0.151 1.00 0.00 S ATOM 0 H CYS A 111 5.677 -4.146 1.043 1.00 0.00 H new ATOM 0 HA CYS A 111 7.781 -6.097 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.711 -5.250 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.944 -6.457 -0.631 1.00 0.00 H new ATOM 1442 N ILE A 112 9.506 -4.529 0.567 1.00 0.00 N ATOM 1443 CA ILE A 112 10.485 -3.523 0.305 1.00 0.00 C ATOM 1444 C ILE A 112 11.099 -3.738 -1.053 1.00 0.00 C ATOM 1445 O ILE A 112 11.362 -4.866 -1.459 1.00 0.00 O ATOM 1446 CB ILE A 112 11.591 -3.473 1.373 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.083 -4.878 1.679 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.100 -2.773 2.637 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.446 -4.925 2.295 1.00 0.00 C ATOM 0 H ILE A 112 9.843 -5.486 0.463 1.00 0.00 H new ATOM 0 HA ILE A 112 9.966 -2.565 0.333 1.00 0.00 H new ATOM 0 HB ILE A 112 12.427 -2.892 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.375 -5.361 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.092 -5.458 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.901 -2.751 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.802 -1.753 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.246 -3.314 3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.725 -5.962 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.168 -4.473 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.439 -4.375 3.236 1.00 0.00 H new ATOM 1461 N GLN A 113 11.307 -2.685 -1.741 1.00 0.00 N ATOM 1462 CA GLN A 113 11.864 -2.720 -3.049 1.00 0.00 C ATOM 1463 C GLN A 113 13.237 -2.099 -3.014 1.00 0.00 C ATOM 1464 O GLN A 113 13.406 -0.936 -2.653 1.00 0.00 O ATOM 1465 CB GLN A 113 10.935 -2.047 -4.057 1.00 0.00 C ATOM 1466 CG GLN A 113 11.496 -1.959 -5.461 1.00 0.00 C ATOM 1467 CD GLN A 113 10.471 -1.489 -6.466 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.279 -0.297 -6.661 1.00 0.00 O ATOM 1469 NE2 GLN A 113 9.881 -2.412 -7.174 1.00 0.00 N ATOM 0 H GLN A 113 11.092 -1.745 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 113 11.969 -3.753 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.994 -2.596 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.706 -1.041 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.345 -1.276 -5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.872 -2.937 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.065 -3.397 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.235 -2.149 -7.919 1.00 0.00 H new ATOM 1478 N THR A 114 14.192 -2.889 -3.360 1.00 0.00 N ATOM 1479 CA THR A 114 15.590 -2.544 -3.284 1.00 0.00 C ATOM 1480 C THR A 114 15.994 -1.523 -4.366 1.00 0.00 C ATOM 1481 O THR A 114 15.161 -1.068 -5.176 1.00 0.00 O ATOM 1482 CB THR A 114 16.397 -3.822 -3.491 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.040 -4.361 -4.766 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.070 -4.851 -2.410 1.00 0.00 C ATOM 0 H THR A 114 14.027 -3.830 -3.718 1.00 0.00 H new ATOM 0 HA THR A 114 15.785 -2.091 -2.312 1.00 0.00 H new ATOM 0 HB THR A 114 17.462 -3.594 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.176 -4.819 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.657 -5.754 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.311 -4.438 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.009 -5.096 -2.450 1.00 0.00 H new ATOM 1492 N LYS A 115 17.275 -1.174 -4.384 1.00 0.00 N ATOM 1493 CA LYS A 115 17.837 -0.306 -5.397 1.00 0.00 C ATOM 1494 C LYS A 115 17.775 -1.002 -6.737 1.00 0.00 C ATOM 1495 O LYS A 115 17.609 -0.377 -7.786 1.00 0.00 O ATOM 1496 CB LYS A 115 19.283 -0.010 -5.079 1.00 0.00 C ATOM 1497 CG LYS A 115 19.934 0.873 -6.121 1.00 0.00 C ATOM 1498 CD LYS A 115 21.401 1.036 -5.893 1.00 0.00 C ATOM 1499 CE LYS A 115 22.121 -0.292 -5.912 1.00 0.00 C ATOM 1500 NZ LYS A 115 23.582 -0.134 -5.817 1.00 0.00 N ATOM 0 H LYS A 115 17.952 -1.490 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 115 17.268 0.624 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.346 0.475 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.835 -0.947 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.768 0.446 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.457 1.853 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.818 1.687 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 115 21.568 1.527 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 115 21.769 -0.906 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.874 -0.824 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 24.034 -1.070 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 23.923 0.430 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 23.822 0.350 -4.928 1.00 0.00 H new ATOM 1514 N ASP A 116 17.874 -2.313 -6.685 1.00 0.00 N ATOM 1515 CA ASP A 116 17.863 -3.137 -7.876 1.00 0.00 C ATOM 1516 C ASP A 116 16.425 -3.333 -8.387 1.00 0.00 C ATOM 1517 O ASP A 116 16.185 -3.797 -9.508 1.00 0.00 O ATOM 1518 CB ASP A 116 18.511 -4.489 -7.536 1.00 0.00 C ATOM 1519 CG ASP A 116 18.252 -5.579 -8.547 1.00 0.00 C ATOM 1520 OD1 ASP A 116 17.460 -6.489 -8.235 1.00 0.00 O ATOM 1521 OD2 ASP A 116 18.820 -5.550 -9.652 1.00 0.00 O ATOM 0 H ASP A 116 17.964 -2.839 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 116 18.427 -2.648 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.588 -4.348 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.145 -4.819 -6.563 1.00 0.00 H new ATOM 1526 N GLY A 117 15.482 -2.905 -7.597 1.00 0.00 N ATOM 1527 CA GLY A 117 14.110 -2.982 -7.982 1.00 0.00 C ATOM 1528 C GLY A 117 13.456 -4.266 -7.553 1.00 0.00 C ATOM 1529 O GLY A 117 12.232 -4.391 -7.668 1.00 0.00 O ATOM 0 H GLY A 117 15.645 -2.497 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.568 -2.141 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.035 -2.886 -9.065 1.00 0.00 H new ATOM 1533 N LYS A 118 14.250 -5.230 -7.058 1.00 0.00 N ATOM 1534 CA LYS A 118 13.682 -6.477 -6.600 1.00 0.00 C ATOM 1535 C LYS A 118 12.898 -6.225 -5.325 1.00 0.00 C ATOM 1536 O LYS A 118 13.334 -5.423 -4.464 1.00 0.00 O ATOM 1537 CB LYS A 118 14.737 -7.595 -6.390 1.00 0.00 C ATOM 1538 CG LYS A 118 15.762 -7.329 -5.303 1.00 0.00 C ATOM 1539 CD LYS A 118 16.574 -8.574 -4.944 1.00 0.00 C ATOM 1540 CE LYS A 118 17.440 -9.111 -6.091 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.507 -8.168 -6.492 1.00 0.00 N ATOM 0 H LYS A 118 15.264 -5.159 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 118 13.019 -6.844 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.216 -8.523 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.264 -7.755 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.439 -6.541 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.254 -6.961 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.218 -8.342 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.891 -9.359 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.891 -10.056 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.805 -9.322 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.423 -8.661 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.308 -7.804 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.541 -7.376 -5.819 1.00 0.00 H new ATOM 1555 N VAL A 119 11.766 -6.852 -5.210 1.00 0.00 N ATOM 1556 CA VAL A 119 10.905 -6.639 -4.085 1.00 0.00 C ATOM 1557 C VAL A 119 11.030 -7.806 -3.112 1.00 0.00 C ATOM 1558 O VAL A 119 10.645 -8.938 -3.419 1.00 0.00 O ATOM 1559 CB VAL A 119 9.421 -6.458 -4.511 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.586 -5.975 -3.342 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.292 -5.500 -5.688 1.00 0.00 C ATOM 0 H VAL A 119 11.413 -7.524 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 119 11.219 -5.716 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 119 9.048 -7.431 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.550 -5.854 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.635 -6.705 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.971 -5.018 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.241 -5.397 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.692 -4.525 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.850 -5.892 -6.539 1.00 0.00 H new ATOM 1571 N GLU A 120 11.568 -7.522 -1.969 1.00 0.00 N ATOM 1572 CA GLU A 120 11.784 -8.489 -0.929 1.00 0.00 C ATOM 1573 C GLU A 120 10.629 -8.370 0.032 1.00 0.00 C ATOM 1574 O GLU A 120 10.243 -7.245 0.393 1.00 0.00 O ATOM 1575 CB GLU A 120 13.081 -8.147 -0.191 1.00 0.00 C ATOM 1576 CG GLU A 120 14.324 -8.147 -1.058 1.00 0.00 C ATOM 1577 CD GLU A 120 14.708 -9.524 -1.497 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.419 -10.211 -0.744 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.321 -9.950 -2.586 1.00 0.00 O ATOM 0 H GLU A 120 11.880 -6.583 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 120 11.856 -9.497 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.974 -7.163 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.221 -8.862 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.153 -7.523 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.150 -7.700 -0.505 1.00 0.00 H new ATOM 1586 N CYS A 121 10.063 -9.460 0.457 1.00 0.00 N ATOM 1587 CA CYS A 121 8.965 -9.349 1.366 1.00 0.00 C ATOM 1588 C CYS A 121 9.060 -10.358 2.448 1.00 0.00 C ATOM 1589 O CYS A 121 9.729 -11.391 2.313 1.00 0.00 O ATOM 1590 CB CYS A 121 7.631 -9.500 0.668 1.00 0.00 C ATOM 1591 SG CYS A 121 6.348 -8.462 1.392 1.00 0.00 S ATOM 0 H CYS A 121 10.333 -10.409 0.198 1.00 0.00 H new ATOM 0 HA CYS A 121 9.023 -8.348 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.746 -9.247 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.318 -10.543 0.713 1.00 0.00 H new ATOM 1596 N ILE A 122 8.422 -10.059 3.519 1.00 0.00 N ATOM 1597 CA ILE A 122 8.344 -10.937 4.611 1.00 0.00 C ATOM 1598 C ILE A 122 6.875 -11.146 4.944 1.00 0.00 C ATOM 1599 O ILE A 122 6.134 -10.179 5.135 1.00 0.00 O ATOM 1600 CB ILE A 122 9.175 -10.426 5.843 1.00 0.00 C ATOM 1601 CG1 ILE A 122 9.006 -11.337 7.070 1.00 0.00 C ATOM 1602 CG2 ILE A 122 8.862 -8.971 6.191 1.00 0.00 C ATOM 1603 CD1 ILE A 122 9.534 -12.739 6.874 1.00 0.00 C ATOM 0 H ILE A 122 7.931 -9.176 3.657 1.00 0.00 H new ATOM 0 HA ILE A 122 8.793 -11.894 4.346 1.00 0.00 H new ATOM 0 HB ILE A 122 10.222 -10.469 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.517 -10.883 7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.948 -11.391 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.461 -8.665 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.097 -8.334 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.804 -8.875 6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 122 9.377 -13.317 7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 122 9.007 -13.214 6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.600 -12.698 6.649 1.00 0.00 H new ATOM 1615 N ASN A 123 6.440 -12.379 4.936 1.00 0.00 N ATOM 1616 CA ASN A 123 5.070 -12.679 5.260 1.00 0.00 C ATOM 1617 C ASN A 123 4.864 -12.526 6.734 1.00 0.00 C ATOM 1618 O ASN A 123 5.371 -13.314 7.547 1.00 0.00 O ATOM 1619 CB ASN A 123 4.630 -14.072 4.785 1.00 0.00 C ATOM 1620 CG ASN A 123 4.612 -14.213 3.270 1.00 0.00 C ATOM 1621 OD1 ASN A 123 4.397 -13.243 2.542 1.00 0.00 O ATOM 1622 ND2 ASN A 123 4.831 -15.405 2.788 1.00 0.00 N ATOM 0 H ASN A 123 7.014 -13.191 4.709 1.00 0.00 H new ATOM 0 HA ASN A 123 4.441 -11.969 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.302 -14.821 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.634 -14.283 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 123 4.828 -15.556 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.006 -16.186 3.420 1.00 0.00 H new ATOM 1629 N GLN A 124 4.207 -11.477 7.077 1.00 0.00 N ATOM 1630 CA GLN A 124 3.897 -11.160 8.428 1.00 0.00 C ATOM 1631 C GLN A 124 2.434 -11.459 8.642 1.00 0.00 C ATOM 1632 O GLN A 124 2.098 -12.567 9.131 1.00 0.00 O ATOM 1633 CB GLN A 124 4.200 -9.678 8.679 1.00 0.00 C ATOM 1634 CG GLN A 124 5.671 -9.305 8.481 1.00 0.00 C ATOM 1635 CD GLN A 124 5.926 -7.810 8.574 1.00 0.00 C ATOM 1636 OE1 GLN A 124 5.068 -6.992 8.224 1.00 0.00 O ATOM 1637 NE2 GLN A 124 7.084 -7.432 9.065 1.00 0.00 N ATOM 1638 OXT GLN A 124 1.611 -10.645 8.244 1.00 0.00 O ATOM 0 H GLN A 124 3.858 -10.793 6.406 1.00 0.00 H new ATOM 0 HA GLN A 124 4.495 -11.749 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 124 3.588 -9.073 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 124 3.904 -9.424 9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.273 -9.817 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.002 -9.664 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.772 -8.131 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.295 -6.439 9.166 1.00 0.00 H new TER 1647 GLN A 124