USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 766 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 44 GLN : amide:sc= 0.308 K(o=0.8,f=-2.3!) USER MOD Set 1.2: A 60 TYR OH : rot 110:sc= 0.495 USER MOD Set 2.1: A 4 THR OG1 : rot 123:sc= 0.664 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.603 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 72:sc= 0.851 USER MOD Single : A 12 THR OG1 : rot -9:sc= 0.587 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 2.65 (180deg=2.61) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 30 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.4!) USER MOD Single : A 31 THR OG1 : rot 73:sc= 0.553 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0857 X(o=-0.086,f=-0.086) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.145 K(o=-0.15,f=-3.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.21) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -177:sc= -0.106 (180deg=-0.145) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 74:sc= 0.862 USER MOD Single : A 61 TYR OH : rot 15:sc= -0.136 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 86:sc= 0.408 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.27) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 -0.416 0.429 0.277 1.00 0.00 N ATOM 2 CA THR A 4 0.999 0.519 -0.066 1.00 0.00 C ATOM 3 C THR A 4 1.484 1.962 -0.032 1.00 0.00 C ATOM 4 O THR A 4 0.700 2.895 -0.210 1.00 0.00 O ATOM 5 CB THR A 4 1.282 -0.074 -1.458 1.00 0.00 C ATOM 6 OG1 THR A 4 0.572 0.674 -2.453 1.00 0.00 O ATOM 7 CG2 THR A 4 0.846 -1.530 -1.517 1.00 0.00 C ATOM 0 HA THR A 4 1.540 -0.060 0.682 1.00 0.00 H new ATOM 0 HB THR A 4 2.354 -0.018 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.205 1.017 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.054 -1.932 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.394 -2.104 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.223 -1.598 -1.315 1.00 0.00 H new ATOM 15 N PRO A 5 2.779 2.141 0.199 1.00 0.00 N ATOM 16 CA PRO A 5 3.378 3.470 0.218 1.00 0.00 C ATOM 17 C PRO A 5 3.276 4.141 -1.145 1.00 0.00 C ATOM 18 O PRO A 5 3.278 5.368 -1.246 1.00 0.00 O ATOM 19 CB PRO A 5 4.832 3.220 0.630 1.00 0.00 C ATOM 20 CG PRO A 5 5.081 1.796 0.267 1.00 0.00 C ATOM 21 CD PRO A 5 3.773 1.089 0.505 1.00 0.00 C ATOM 0 HA PRO A 5 2.872 4.150 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.514 3.889 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.977 3.389 1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.394 1.704 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.876 1.368 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.657 0.221 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.685 0.734 1.532 1.00 0.00 H new ATOM 29 N SER A 6 3.185 3.330 -2.193 1.00 0.00 N ATOM 30 CA SER A 6 3.111 3.842 -3.556 1.00 0.00 C ATOM 31 C SER A 6 1.766 4.506 -3.822 1.00 0.00 C ATOM 32 O SER A 6 1.655 5.384 -4.677 1.00 0.00 O ATOM 33 CB SER A 6 3.355 2.723 -4.549 1.00 0.00 C ATOM 34 OG SER A 6 2.333 1.764 -4.522 1.00 0.00 O ATOM 0 H SER A 6 3.161 2.313 -2.124 1.00 0.00 H new ATOM 0 HA SER A 6 3.887 4.598 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.434 3.140 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.308 2.243 -4.327 1.00 0.00 H new ATOM 0 HG SER A 6 2.527 1.061 -5.177 1.00 0.00 H new ATOM 40 N ASP A 7 0.745 4.079 -3.087 1.00 0.00 N ATOM 41 CA ASP A 7 -0.567 4.709 -3.157 1.00 0.00 C ATOM 42 C ASP A 7 -0.561 6.071 -2.473 1.00 0.00 C ATOM 43 O ASP A 7 -1.249 6.996 -2.906 1.00 0.00 O ATOM 44 CB ASP A 7 -1.631 3.808 -2.526 1.00 0.00 C ATOM 45 CG ASP A 7 -2.001 2.591 -3.362 1.00 0.00 C ATOM 46 OD1 ASP A 7 -1.651 2.560 -4.518 1.00 0.00 O ATOM 47 OD2 ASP A 7 -2.490 1.638 -2.804 1.00 0.00 O ATOM 0 H ASP A 7 0.802 3.297 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.809 4.857 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.273 3.470 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.530 4.398 -2.348 1.00 0.00 H new ATOM 52 N HIS A 8 0.219 6.186 -1.404 1.00 0.00 N ATOM 53 CA HIS A 8 0.360 7.452 -0.692 1.00 0.00 C ATOM 54 C HIS A 8 1.212 8.437 -1.482 1.00 0.00 C ATOM 55 O HIS A 8 0.972 9.643 -1.452 1.00 0.00 O ATOM 56 CB HIS A 8 0.970 7.226 0.694 1.00 0.00 C ATOM 57 CG HIS A 8 0.084 6.458 1.625 1.00 0.00 C ATOM 58 ND1 HIS A 8 -1.073 6.988 2.157 1.00 0.00 N ATOM 59 CD2 HIS A 8 0.184 5.202 2.119 1.00 0.00 C ATOM 60 CE1 HIS A 8 -1.646 6.090 2.938 1.00 0.00 C ATOM 61 NE2 HIS A 8 -0.904 4.998 2.931 1.00 0.00 N ATOM 0 H HIS A 8 0.764 5.418 -1.011 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.636 7.878 -0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.914 6.693 0.583 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.201 8.193 1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.972 4.493 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.565 6.226 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.106 4.141 3.446 1.00 0.00 H new ATOM 69 N LEU A 9 2.208 7.914 -2.190 1.00 0.00 N ATOM 70 CA LEU A 9 3.020 8.729 -3.086 1.00 0.00 C ATOM 71 C LEU A 9 2.188 9.281 -4.235 1.00 0.00 C ATOM 72 O LEU A 9 2.290 10.459 -4.579 1.00 0.00 O ATOM 73 CB LEU A 9 4.198 7.907 -3.627 1.00 0.00 C ATOM 74 CG LEU A 9 5.255 7.519 -2.587 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.248 6.536 -3.193 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.968 8.770 -2.095 1.00 0.00 C ATOM 0 H LEU A 9 2.472 6.929 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 9 3.408 9.574 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.807 6.997 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.683 8.476 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 9 4.770 7.035 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.995 6.266 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.720 5.640 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.741 6.998 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.719 8.493 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.452 9.267 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.244 9.447 -1.641 1.00 0.00 H new ATOM 88 N LEU A 10 1.362 8.424 -4.827 1.00 0.00 N ATOM 89 CA LEU A 10 0.462 8.842 -5.896 1.00 0.00 C ATOM 90 C LEU A 10 -0.499 9.923 -5.418 1.00 0.00 C ATOM 91 O LEU A 10 -0.716 10.921 -6.104 1.00 0.00 O ATOM 92 CB LEU A 10 -0.318 7.634 -6.433 1.00 0.00 C ATOM 93 CG LEU A 10 -1.391 7.963 -7.478 1.00 0.00 C ATOM 94 CD1 LEU A 10 -0.759 8.663 -8.674 1.00 0.00 C ATOM 95 CD2 LEU A 10 -2.090 6.683 -7.910 1.00 0.00 C ATOM 0 H LEU A 10 1.297 7.435 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 10 1.065 9.262 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.390 6.930 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.794 7.127 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.129 8.635 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.529 8.892 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.284 9.588 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.010 8.011 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.852 6.918 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.361 5.998 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.559 6.214 -7.045 1.00 0.00 H new ATOM 107 N SER A 11 -1.073 9.716 -4.237 1.00 0.00 N ATOM 108 CA SER A 11 -2.036 10.658 -3.680 1.00 0.00 C ATOM 109 C SER A 11 -1.475 12.074 -3.660 1.00 0.00 C ATOM 110 O SER A 11 -2.149 13.025 -4.058 1.00 0.00 O ATOM 111 CB SER A 11 -2.435 10.229 -2.281 1.00 0.00 C ATOM 112 OG SER A 11 -3.168 9.034 -2.285 1.00 0.00 O ATOM 0 H SER A 11 -0.888 8.904 -3.648 1.00 0.00 H new ATOM 0 HA SER A 11 -2.919 10.657 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.540 10.103 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.028 11.016 -1.816 1.00 0.00 H new ATOM 0 HG SER A 11 -2.571 8.285 -2.494 1.00 0.00 H new ATOM 118 N THR A 12 -0.237 12.209 -3.196 1.00 0.00 N ATOM 119 CA THR A 12 0.380 13.519 -3.029 1.00 0.00 C ATOM 120 C THR A 12 0.771 14.119 -4.374 1.00 0.00 C ATOM 121 O THR A 12 0.842 15.338 -4.523 1.00 0.00 O ATOM 122 CB THR A 12 1.628 13.445 -2.131 1.00 0.00 C ATOM 123 OG1 THR A 12 2.571 12.523 -2.693 1.00 0.00 O ATOM 124 CG2 THR A 12 1.250 12.987 -0.730 1.00 0.00 C ATOM 0 H THR A 12 0.359 11.426 -2.929 1.00 0.00 H new ATOM 0 HA THR A 12 -0.363 14.157 -2.551 1.00 0.00 H new ATOM 0 HB THR A 12 2.073 14.438 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.155 12.043 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.144 12.940 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.542 13.693 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.792 11.999 -0.781 1.00 0.00 H new ATOM 132 N LEU A 13 1.022 13.254 -5.351 1.00 0.00 N ATOM 133 CA LEU A 13 1.374 13.698 -6.695 1.00 0.00 C ATOM 134 C LEU A 13 0.133 14.091 -7.487 1.00 0.00 C ATOM 135 O LEU A 13 0.208 14.891 -8.419 1.00 0.00 O ATOM 136 CB LEU A 13 2.151 12.598 -7.431 1.00 0.00 C ATOM 137 CG LEU A 13 3.536 12.280 -6.853 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.145 11.092 -7.584 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.431 13.504 -6.974 1.00 0.00 C ATOM 0 H LEU A 13 0.988 12.241 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 13 2.009 14.580 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.554 11.686 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.269 12.894 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 13 3.440 12.020 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.128 10.873 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.499 10.222 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.245 11.329 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.415 13.277 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.531 13.779 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.990 14.334 -6.422 1.00 0.00 H new ATOM 151 N GLU A 14 -1.007 13.522 -7.111 1.00 0.00 N ATOM 152 CA GLU A 14 -2.286 13.911 -7.694 1.00 0.00 C ATOM 153 C GLU A 14 -2.747 15.260 -7.159 1.00 0.00 C ATOM 154 O GLU A 14 -3.368 16.044 -7.877 1.00 0.00 O ATOM 155 CB GLU A 14 -3.348 12.844 -7.417 1.00 0.00 C ATOM 156 CG GLU A 14 -3.172 11.560 -8.215 1.00 0.00 C ATOM 157 CD GLU A 14 -4.221 10.546 -7.855 1.00 0.00 C ATOM 158 OE1 GLU A 14 -5.006 10.817 -6.977 1.00 0.00 O ATOM 159 OE2 GLU A 14 -4.311 9.549 -8.531 1.00 0.00 O ATOM 0 H GLU A 14 -1.072 12.789 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.148 14.001 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.334 12.602 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.331 13.262 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.227 11.781 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.182 11.145 -8.027 1.00 0.00 H new ATOM 166 N GLU A 15 -2.439 15.527 -5.894 1.00 0.00 N ATOM 167 CA GLU A 15 -2.774 16.804 -5.276 1.00 0.00 C ATOM 168 C GLU A 15 -1.997 17.947 -5.918 1.00 0.00 C ATOM 169 O GLU A 15 -2.472 19.081 -5.969 1.00 0.00 O ATOM 170 CB GLU A 15 -2.498 16.761 -3.772 1.00 0.00 C ATOM 171 CG GLU A 15 -3.478 15.909 -2.977 1.00 0.00 C ATOM 172 CD GLU A 15 -4.890 16.394 -3.154 1.00 0.00 C ATOM 173 OE1 GLU A 15 -5.127 17.562 -2.958 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.711 15.624 -3.594 1.00 0.00 O ATOM 0 H GLU A 15 -1.957 14.874 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.837 16.982 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.490 16.380 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.520 17.778 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.405 14.870 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.212 15.935 -1.920 1.00 0.00 H new ATOM 181 N LEU A 16 -0.800 17.640 -6.408 1.00 0.00 N ATOM 182 CA LEU A 16 0.019 18.626 -7.102 1.00 0.00 C ATOM 183 C LEU A 16 -0.531 18.918 -8.492 1.00 0.00 C ATOM 184 O LEU A 16 -0.956 18.010 -9.206 1.00 0.00 O ATOM 185 CB LEU A 16 1.471 18.139 -7.194 1.00 0.00 C ATOM 186 CG LEU A 16 2.201 18.007 -5.851 1.00 0.00 C ATOM 187 CD1 LEU A 16 3.583 17.405 -6.065 1.00 0.00 C ATOM 188 CD2 LEU A 16 2.303 19.374 -5.191 1.00 0.00 C ATOM 0 H LEU A 16 -0.376 16.715 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.008 19.553 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.482 17.170 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.030 18.829 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 16 1.639 17.343 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.093 17.315 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.484 16.418 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.163 18.050 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.822 19.280 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.858 20.051 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.302 19.772 -5.022 1.00 0.00 H new ATOM 200 N VAL A 17 -0.519 20.191 -8.872 1.00 0.00 N ATOM 201 CA VAL A 17 -0.850 20.587 -10.236 1.00 0.00 C ATOM 202 C VAL A 17 0.316 20.333 -11.182 1.00 0.00 C ATOM 203 O VAL A 17 1.452 20.144 -10.746 1.00 0.00 O ATOM 204 CB VAL A 17 -1.245 22.074 -10.312 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.445 22.353 -9.418 1.00 0.00 C ATOM 206 CG2 VAL A 17 -0.073 22.958 -9.919 1.00 0.00 C ATOM 0 H VAL A 17 -0.283 20.967 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.701 19.978 -10.542 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.520 22.304 -11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.710 23.408 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.290 21.745 -9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.195 22.105 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.371 24.005 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.232 22.725 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.761 22.779 -10.597 1.00 0.00 H new ATOM 216 N PRO A 18 0.030 20.330 -12.478 1.00 0.00 N ATOM 217 CA PRO A 18 1.030 19.990 -13.483 1.00 0.00 C ATOM 218 C PRO A 18 2.305 20.800 -13.288 1.00 0.00 C ATOM 219 O PRO A 18 3.410 20.286 -13.460 1.00 0.00 O ATOM 220 CB PRO A 18 0.344 20.306 -14.817 1.00 0.00 C ATOM 221 CG PRO A 18 -1.102 20.052 -14.560 1.00 0.00 C ATOM 222 CD PRO A 18 -1.338 20.488 -13.138 1.00 0.00 C ATOM 0 HA PRO A 18 1.348 18.949 -13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.518 21.339 -15.119 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.723 19.672 -15.618 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.729 20.614 -15.252 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.346 18.998 -14.693 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.690 21.519 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.092 19.870 -12.650 1.00 0.00 H new ATOM 230 N TYR A 19 2.144 22.068 -12.928 1.00 0.00 N ATOM 231 CA TYR A 19 3.283 22.949 -12.694 1.00 0.00 C ATOM 232 C TYR A 19 4.105 22.479 -11.501 1.00 0.00 C ATOM 233 O TYR A 19 5.325 22.340 -11.592 1.00 0.00 O ATOM 234 CB TYR A 19 2.812 24.387 -12.474 1.00 0.00 C ATOM 235 CG TYR A 19 3.931 25.362 -12.185 1.00 0.00 C ATOM 236 CD1 TYR A 19 4.725 25.859 -13.208 1.00 0.00 C ATOM 237 CD2 TYR A 19 4.190 25.784 -10.890 1.00 0.00 C ATOM 238 CE1 TYR A 19 5.750 26.749 -12.950 1.00 0.00 C ATOM 239 CE2 TYR A 19 5.211 26.674 -10.619 1.00 0.00 C ATOM 240 CZ TYR A 19 5.989 27.155 -11.652 1.00 0.00 C ATOM 241 OH TYR A 19 7.007 28.043 -11.389 1.00 0.00 O ATOM 0 H TYR A 19 1.235 22.510 -12.792 1.00 0.00 H new ATOM 0 HA TYR A 19 3.917 22.917 -13.580 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.272 24.721 -13.360 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.105 24.404 -11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.539 25.545 -14.224 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.583 25.410 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.360 27.125 -13.758 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.399 26.992 -9.604 1.00 0.00 H new ATOM 0 HH TYR A 19 7.041 28.226 -10.427 1.00 0.00 H new ATOM 251 N ASP A 20 3.431 22.237 -10.383 1.00 0.00 N ATOM 252 CA ASP A 20 4.103 21.830 -9.155 1.00 0.00 C ATOM 253 C ASP A 20 4.620 20.401 -9.257 1.00 0.00 C ATOM 254 O ASP A 20 5.534 20.007 -8.533 1.00 0.00 O ATOM 255 CB ASP A 20 3.160 21.964 -7.957 1.00 0.00 C ATOM 256 CG ASP A 20 2.898 23.398 -7.519 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.619 24.269 -7.944 1.00 0.00 O ATOM 258 OD2 ASP A 20 1.891 23.633 -6.894 1.00 0.00 O ATOM 0 H ASP A 20 2.417 22.316 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 20 4.957 22.492 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.209 21.493 -8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.580 21.411 -7.116 1.00 0.00 H new ATOM 263 N PHE A 21 4.030 19.628 -10.163 1.00 0.00 N ATOM 264 CA PHE A 21 4.474 18.261 -10.409 1.00 0.00 C ATOM 265 C PHE A 21 5.834 18.241 -11.097 1.00 0.00 C ATOM 266 O PHE A 21 6.703 17.443 -10.749 1.00 0.00 O ATOM 267 CB PHE A 21 3.445 17.508 -11.255 1.00 0.00 C ATOM 268 CG PHE A 21 3.827 16.087 -11.551 1.00 0.00 C ATOM 269 CD1 PHE A 21 3.796 15.123 -10.553 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.219 15.708 -12.826 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.148 13.814 -10.824 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.569 14.401 -13.100 1.00 0.00 C ATOM 273 CZ PHE A 21 4.534 13.453 -12.097 1.00 0.00 C ATOM 0 H PHE A 21 3.243 19.925 -10.739 1.00 0.00 H new ATOM 0 HA PHE A 21 4.572 17.762 -9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.486 17.516 -10.736 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.303 18.040 -12.196 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.493 15.399 -9.554 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.251 16.445 -13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.121 13.074 -10.038 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.870 14.120 -14.098 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.809 12.430 -12.309 1.00 0.00 H new ATOM 283 N GLU A 22 6.009 19.123 -12.075 1.00 0.00 N ATOM 284 CA GLU A 22 7.299 19.286 -12.736 1.00 0.00 C ATOM 285 C GLU A 22 8.299 19.987 -11.825 1.00 0.00 C ATOM 286 O GLU A 22 9.499 19.718 -11.882 1.00 0.00 O ATOM 287 CB GLU A 22 7.137 20.071 -14.039 1.00 0.00 C ATOM 288 CG GLU A 22 6.396 19.320 -15.137 1.00 0.00 C ATOM 289 CD GLU A 22 7.116 18.057 -15.517 1.00 0.00 C ATOM 290 OE1 GLU A 22 8.290 18.124 -15.794 1.00 0.00 O ATOM 291 OE2 GLU A 22 6.525 17.007 -15.421 1.00 0.00 O ATOM 0 H GLU A 22 5.274 19.736 -12.428 1.00 0.00 H new ATOM 0 HA GLU A 22 7.684 18.293 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.605 20.998 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.125 20.348 -14.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.388 19.079 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.294 19.960 -16.013 1.00 0.00 H new ATOM 298 N LYS A 23 7.798 20.886 -10.985 1.00 0.00 N ATOM 299 CA LYS A 23 8.622 21.523 -9.964 1.00 0.00 C ATOM 300 C LYS A 23 9.139 20.504 -8.958 1.00 0.00 C ATOM 301 O LYS A 23 10.289 20.577 -8.521 1.00 0.00 O ATOM 302 CB LYS A 23 7.831 22.618 -9.245 1.00 0.00 C ATOM 303 CG LYS A 23 8.639 23.407 -8.223 1.00 0.00 C ATOM 304 CD LYS A 23 7.816 24.538 -7.621 1.00 0.00 C ATOM 305 CE LYS A 23 8.613 25.312 -6.582 1.00 0.00 C ATOM 306 NZ LYS A 23 7.838 26.454 -6.024 1.00 0.00 N ATOM 0 H LYS A 23 6.824 21.190 -10.991 1.00 0.00 H new ATOM 0 HA LYS A 23 9.480 21.974 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.433 23.309 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.977 22.163 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.978 22.740 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.530 23.816 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.492 25.215 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.916 24.130 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.903 24.641 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.533 25.684 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.417 26.955 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.583 27.108 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.973 26.098 -5.570 1.00 0.00 H new ATOM 320 N PHE A 24 8.286 19.555 -8.593 1.00 0.00 N ATOM 321 CA PHE A 24 8.695 18.441 -7.746 1.00 0.00 C ATOM 322 C PHE A 24 9.891 17.708 -8.339 1.00 0.00 C ATOM 323 O PHE A 24 10.849 17.388 -7.635 1.00 0.00 O ATOM 324 CB PHE A 24 7.531 17.468 -7.542 1.00 0.00 C ATOM 325 CG PHE A 24 7.877 16.278 -6.693 1.00 0.00 C ATOM 326 CD1 PHE A 24 8.387 15.124 -7.267 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.694 16.312 -5.319 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.705 14.027 -6.488 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.012 15.217 -4.537 1.00 0.00 C ATOM 330 CZ PHE A 24 8.517 14.075 -5.122 1.00 0.00 C ATOM 0 H PHE A 24 7.305 19.534 -8.871 1.00 0.00 H new ATOM 0 HA PHE A 24 8.990 18.849 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.700 18.002 -7.081 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.186 17.120 -8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.538 15.081 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.299 17.203 -4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.100 13.133 -6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.865 15.256 -3.468 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.765 13.219 -4.512 1.00 0.00 H new ATOM 340 N LYS A 25 9.831 17.444 -9.640 1.00 0.00 N ATOM 341 CA LYS A 25 10.922 16.774 -10.338 1.00 0.00 C ATOM 342 C LYS A 25 12.214 17.576 -10.239 1.00 0.00 C ATOM 343 O LYS A 25 13.292 17.013 -10.046 1.00 0.00 O ATOM 344 CB LYS A 25 10.558 16.542 -11.805 1.00 0.00 C ATOM 345 CG LYS A 25 9.464 15.505 -12.025 1.00 0.00 C ATOM 346 CD LYS A 25 9.072 15.418 -13.492 1.00 0.00 C ATOM 347 CE LYS A 25 8.033 14.331 -13.725 1.00 0.00 C ATOM 348 NZ LYS A 25 7.553 14.312 -15.134 1.00 0.00 N ATOM 0 H LYS A 25 9.037 17.684 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 25 11.082 15.809 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.238 17.488 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.452 16.229 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.809 14.530 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.590 15.763 -11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.676 16.379 -13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.957 15.213 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.461 13.360 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.187 14.488 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.898 13.515 -15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.061 15.204 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.364 14.204 -15.776 1.00 0.00 H new ATOM 362 N PHE A 26 12.097 18.893 -10.374 1.00 0.00 N ATOM 363 CA PHE A 26 13.254 19.776 -10.290 1.00 0.00 C ATOM 364 C PHE A 26 13.975 19.614 -8.957 1.00 0.00 C ATOM 365 O PHE A 26 15.200 19.492 -8.914 1.00 0.00 O ATOM 366 CB PHE A 26 12.830 21.232 -10.484 1.00 0.00 C ATOM 367 CG PHE A 26 13.974 22.206 -10.460 1.00 0.00 C ATOM 368 CD1 PHE A 26 14.809 22.345 -11.558 1.00 0.00 C ATOM 369 CD2 PHE A 26 14.218 22.983 -9.337 1.00 0.00 C ATOM 370 CE1 PHE A 26 15.863 23.240 -11.535 1.00 0.00 C ATOM 371 CE2 PHE A 26 15.269 23.880 -9.313 1.00 0.00 C ATOM 372 CZ PHE A 26 16.093 24.007 -10.413 1.00 0.00 C ATOM 0 H PHE A 26 11.212 19.372 -10.542 1.00 0.00 H new ATOM 0 HA PHE A 26 13.944 19.498 -11.087 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.307 21.324 -11.436 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.120 21.501 -9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.634 21.748 -12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.579 22.886 -8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.506 23.338 -12.397 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.446 24.482 -8.434 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.916 24.706 -10.395 1.00 0.00 H new ATOM 382 N LYS A 27 13.209 19.613 -7.872 1.00 0.00 N ATOM 383 CA LYS A 27 13.777 19.515 -6.533 1.00 0.00 C ATOM 384 C LYS A 27 14.078 18.067 -6.168 1.00 0.00 C ATOM 385 O LYS A 27 14.881 17.796 -5.276 1.00 0.00 O ATOM 386 CB LYS A 27 12.829 20.131 -5.503 1.00 0.00 C ATOM 387 CG LYS A 27 12.627 21.633 -5.652 1.00 0.00 C ATOM 388 CD LYS A 27 13.929 22.390 -5.440 1.00 0.00 C ATOM 389 CE LYS A 27 13.706 23.896 -5.468 1.00 0.00 C ATOM 390 NZ LYS A 27 14.970 24.650 -5.252 1.00 0.00 N ATOM 0 H LYS A 27 12.191 19.679 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 27 14.715 20.070 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.860 19.637 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.215 19.926 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.234 21.852 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.884 21.975 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.367 22.103 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.644 22.112 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.273 24.181 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.984 24.170 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.774 25.671 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.370 24.398 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.650 24.409 -6.001 1.00 0.00 H new ATOM 404 N LEU A 28 13.429 17.139 -6.863 1.00 0.00 N ATOM 405 CA LEU A 28 13.676 15.716 -6.660 1.00 0.00 C ATOM 406 C LEU A 28 15.108 15.349 -7.024 1.00 0.00 C ATOM 407 O LEU A 28 15.761 14.579 -6.320 1.00 0.00 O ATOM 408 CB LEU A 28 12.685 14.884 -7.483 1.00 0.00 C ATOM 409 CG LEU A 28 12.849 13.363 -7.359 1.00 0.00 C ATOM 410 CD1 LEU A 28 12.629 12.931 -5.916 1.00 0.00 C ATOM 411 CD2 LEU A 28 11.864 12.668 -8.286 1.00 0.00 C ATOM 0 H LEU A 28 12.727 17.347 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 28 13.532 15.494 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.672 15.150 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.787 15.160 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 28 13.861 13.081 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.747 11.850 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.359 13.423 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.623 13.209 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.981 11.588 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.847 12.947 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.057 12.971 -9.315 1.00 0.00 H new ATOM 423 N GLN A 29 15.592 15.903 -8.131 1.00 0.00 N ATOM 424 CA GLN A 29 16.971 15.687 -8.556 1.00 0.00 C ATOM 425 C GLN A 29 17.948 16.420 -7.646 1.00 0.00 C ATOM 426 O GLN A 29 19.052 15.938 -7.391 1.00 0.00 O ATOM 427 CB GLN A 29 17.164 16.150 -10.002 1.00 0.00 C ATOM 428 CG GLN A 29 16.462 15.283 -11.033 1.00 0.00 C ATOM 429 CD GLN A 29 16.599 15.831 -12.441 1.00 0.00 C ATOM 430 OE1 GLN A 29 17.154 16.913 -12.649 1.00 0.00 O ATOM 431 NE2 GLN A 29 16.089 15.087 -13.416 1.00 0.00 N ATOM 0 H GLN A 29 15.050 16.505 -8.750 1.00 0.00 H new ATOM 0 HA GLN A 29 17.175 14.618 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.800 17.173 -10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.231 16.170 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.875 14.275 -10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.405 15.204 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.639 14.198 -13.197 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.148 15.404 -14.384 1.00 0.00 H new ATOM 440 N ASN A 30 17.537 17.586 -7.161 1.00 0.00 N ATOM 441 CA ASN A 30 18.396 18.412 -6.321 1.00 0.00 C ATOM 442 C ASN A 30 18.607 17.775 -4.954 1.00 0.00 C ATOM 443 O ASN A 30 19.711 17.804 -4.408 1.00 0.00 O ATOM 444 CB ASN A 30 17.838 19.815 -6.166 1.00 0.00 C ATOM 445 CG ASN A 30 17.986 20.665 -7.396 1.00 0.00 C ATOM 446 OD1 ASN A 30 18.810 20.384 -8.274 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.251 21.747 -7.427 1.00 0.00 N ATOM 0 H ASN A 30 16.613 17.981 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 30 19.362 18.483 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.782 19.749 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.341 20.306 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.344 22.405 -8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.585 21.933 -6.677 1.00 0.00 H new ATOM 454 N THR A 31 17.543 17.199 -4.404 1.00 0.00 N ATOM 455 CA THR A 31 17.610 16.553 -3.099 1.00 0.00 C ATOM 456 C THR A 31 18.530 15.339 -3.131 1.00 0.00 C ATOM 457 O THR A 31 18.371 14.450 -3.968 1.00 0.00 O ATOM 458 CB THR A 31 16.216 16.115 -2.613 1.00 0.00 C ATOM 459 OG1 THR A 31 15.358 17.259 -2.523 1.00 0.00 O ATOM 460 CG2 THR A 31 16.312 15.448 -1.250 1.00 0.00 C ATOM 0 H THR A 31 16.623 17.167 -4.843 1.00 0.00 H new ATOM 0 HA THR A 31 18.012 17.291 -2.404 1.00 0.00 H new ATOM 0 HB THR A 31 15.806 15.401 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.113 17.556 -3.424 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.318 15.145 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.954 14.570 -1.319 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.733 16.150 -0.530 1.00 0.00 H new ATOM 468 N SER A 32 19.493 15.307 -2.215 1.00 0.00 N ATOM 469 CA SER A 32 20.516 14.270 -2.215 1.00 0.00 C ATOM 470 C SER A 32 19.964 12.951 -1.689 1.00 0.00 C ATOM 471 O SER A 32 18.943 12.924 -1.002 1.00 0.00 O ATOM 472 CB SER A 32 21.707 14.712 -1.387 1.00 0.00 C ATOM 473 OG SER A 32 21.394 14.806 -0.024 1.00 0.00 O ATOM 0 H SER A 32 19.585 15.989 -1.462 1.00 0.00 H new ATOM 0 HA SER A 32 20.838 14.111 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.525 14.005 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.059 15.679 -1.746 1.00 0.00 H new ATOM 0 HG SER A 32 22.188 15.092 0.475 1.00 0.00 H new ATOM 479 N VAL A 33 20.645 11.858 -2.017 1.00 0.00 N ATOM 480 CA VAL A 33 20.219 10.532 -1.585 1.00 0.00 C ATOM 481 C VAL A 33 21.397 9.717 -1.064 1.00 0.00 C ATOM 482 O VAL A 33 22.546 10.149 -1.145 1.00 0.00 O ATOM 483 CB VAL A 33 19.537 9.756 -2.726 1.00 0.00 C ATOM 484 CG1 VAL A 33 18.283 10.485 -3.189 1.00 0.00 C ATOM 485 CG2 VAL A 33 20.498 9.563 -3.889 1.00 0.00 C ATOM 0 H VAL A 33 21.495 11.865 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 33 19.499 10.682 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 33 19.249 8.774 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.813 9.923 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.586 10.575 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.551 11.479 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.999 9.012 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.816 10.536 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.370 9.002 -3.552 1.00 0.00 H new ATOM 495 N GLN A 34 21.103 8.538 -0.529 1.00 0.00 N ATOM 496 CA GLN A 34 22.127 7.694 0.075 1.00 0.00 C ATOM 497 C GLN A 34 23.007 7.048 -0.989 1.00 0.00 C ATOM 498 O GLN A 34 22.579 6.852 -2.126 1.00 0.00 O ATOM 499 CB GLN A 34 21.486 6.609 0.943 1.00 0.00 C ATOM 500 CG GLN A 34 20.683 7.146 2.117 1.00 0.00 C ATOM 501 CD GLN A 34 21.539 7.934 3.091 1.00 0.00 C ATOM 502 OE1 GLN A 34 22.559 7.443 3.580 1.00 0.00 O ATOM 503 NE2 GLN A 34 21.124 9.162 3.380 1.00 0.00 N ATOM 0 H GLN A 34 20.162 8.144 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 34 22.752 8.331 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 34 20.833 5.999 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 34 22.269 5.953 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 34 19.881 7.783 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 34 20.212 6.315 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 34 20.274 9.527 2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 34 21.656 9.740 4.031 1.00 0.00 H new ATOM 512 N LYS A 35 24.236 6.717 -0.611 1.00 0.00 N ATOM 513 CA LYS A 35 25.177 6.089 -1.531 1.00 0.00 C ATOM 514 C LYS A 35 24.762 4.658 -1.850 1.00 0.00 C ATOM 515 O LYS A 35 25.132 4.112 -2.890 1.00 0.00 O ATOM 516 CB LYS A 35 26.591 6.109 -0.948 1.00 0.00 C ATOM 517 CG LYS A 35 27.220 7.494 -0.869 1.00 0.00 C ATOM 518 CD LYS A 35 28.617 7.434 -0.270 1.00 0.00 C ATOM 519 CE LYS A 35 29.257 8.813 -0.216 1.00 0.00 C ATOM 520 NZ LYS A 35 30.619 8.772 0.383 1.00 0.00 N ATOM 0 H LYS A 35 24.605 6.873 0.327 1.00 0.00 H new ATOM 0 HA LYS A 35 25.169 6.661 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.564 5.678 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 35 27.230 5.467 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 35 27.268 7.931 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.591 8.147 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 35 28.566 7.015 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 35 29.240 6.765 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 29.316 9.225 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 35 28.625 9.484 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 31.019 9.732 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 30.560 8.403 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 31.230 8.153 -0.187 1.00 0.00 H new ATOM 534 N GLU A 36 23.992 4.056 -0.950 1.00 0.00 N ATOM 535 CA GLU A 36 23.519 2.691 -1.139 1.00 0.00 C ATOM 536 C GLU A 36 22.416 2.630 -2.188 1.00 0.00 C ATOM 537 O GLU A 36 22.108 1.562 -2.718 1.00 0.00 O ATOM 538 CB GLU A 36 23.018 2.110 0.186 1.00 0.00 C ATOM 539 CG GLU A 36 24.108 1.876 1.222 1.00 0.00 C ATOM 540 CD GLU A 36 23.532 1.365 2.514 1.00 0.00 C ATOM 541 OE1 GLU A 36 22.337 1.214 2.591 1.00 0.00 O ATOM 542 OE2 GLU A 36 24.296 1.018 3.384 1.00 0.00 O ATOM 0 H GLU A 36 23.682 4.493 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 36 24.359 2.093 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.273 2.786 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.514 1.164 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.832 1.159 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.646 2.806 1.404 1.00 0.00 H new ATOM 549 N HIS A 37 21.823 3.782 -2.483 1.00 0.00 N ATOM 550 CA HIS A 37 20.732 3.857 -3.446 1.00 0.00 C ATOM 551 C HIS A 37 21.252 3.761 -4.875 1.00 0.00 C ATOM 552 O HIS A 37 22.404 4.095 -5.151 1.00 0.00 O ATOM 553 CB HIS A 37 19.939 5.156 -3.265 1.00 0.00 C ATOM 554 CG HIS A 37 19.211 5.239 -1.959 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.636 6.405 -1.501 1.00 0.00 N ATOM 556 CD2 HIS A 37 18.966 4.302 -1.013 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.067 6.181 -0.329 1.00 0.00 C ATOM 558 NE2 HIS A 37 18.255 4.913 -0.011 1.00 0.00 N ATOM 0 H HIS A 37 22.081 4.677 -2.068 1.00 0.00 H new ATOM 0 HA HIS A 37 20.071 3.010 -3.262 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.621 6.002 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.220 5.249 -4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 37 19.273 3.267 -1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.539 6.910 0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.925 4.461 0.842 1.00 0.00 H new ATOM 566 N SER A 38 20.395 3.302 -5.781 1.00 0.00 N ATOM 567 CA SER A 38 20.756 3.187 -7.189 1.00 0.00 C ATOM 568 C SER A 38 20.644 4.532 -7.896 1.00 0.00 C ATOM 569 O SER A 38 19.840 5.381 -7.512 1.00 0.00 O ATOM 570 CB SER A 38 19.880 2.157 -7.871 1.00 0.00 C ATOM 571 OG SER A 38 20.079 0.870 -7.353 1.00 0.00 O ATOM 0 H SER A 38 19.444 3.003 -5.565 1.00 0.00 H new ATOM 0 HA SER A 38 21.795 2.862 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.833 2.437 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.091 2.154 -8.940 1.00 0.00 H new ATOM 0 HG SER A 38 19.494 0.236 -7.818 1.00 0.00 H new ATOM 577 N ARG A 39 21.454 4.719 -8.933 1.00 0.00 N ATOM 578 CA ARG A 39 21.482 5.979 -9.667 1.00 0.00 C ATOM 579 C ARG A 39 20.395 6.020 -10.734 1.00 0.00 C ATOM 580 O ARG A 39 20.526 5.402 -11.791 1.00 0.00 O ATOM 581 CB ARG A 39 22.853 6.268 -10.257 1.00 0.00 C ATOM 582 CG ARG A 39 23.971 6.413 -9.237 1.00 0.00 C ATOM 583 CD ARG A 39 25.325 6.569 -9.830 1.00 0.00 C ATOM 584 NE ARG A 39 25.827 5.384 -10.506 1.00 0.00 N ATOM 585 CZ ARG A 39 26.965 5.339 -11.226 1.00 0.00 C ATOM 586 NH1 ARG A 39 27.702 6.414 -11.398 1.00 0.00 N ATOM 587 NH2 ARG A 39 27.310 4.188 -11.776 1.00 0.00 N ATOM 0 H ARG A 39 22.101 4.013 -9.284 1.00 0.00 H new ATOM 0 HA ARG A 39 21.274 6.773 -8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.112 5.465 -10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.794 7.185 -10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 39 23.762 7.277 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 39 23.970 5.537 -8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 39 25.304 7.395 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 39 26.024 6.845 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 39 25.280 4.527 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 39 27.415 7.301 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 39 28.561 6.361 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.720 3.365 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 39 28.166 4.122 -12.327 1.00 0.00 H new ATOM 601 N ILE A 40 19.322 6.750 -10.451 1.00 0.00 N ATOM 602 CA ILE A 40 18.204 6.860 -11.379 1.00 0.00 C ATOM 603 C ILE A 40 18.548 7.770 -12.551 1.00 0.00 C ATOM 604 O ILE A 40 18.943 8.922 -12.360 1.00 0.00 O ATOM 605 CB ILE A 40 16.939 7.394 -10.680 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.732 7.297 -11.615 1.00 0.00 C ATOM 607 CG2 ILE A 40 17.150 8.830 -10.225 1.00 0.00 C ATOM 608 CD1 ILE A 40 14.408 7.554 -10.931 1.00 0.00 C ATOM 0 H ILE A 40 19.203 7.275 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 40 18.005 5.855 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 40 16.743 6.781 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.855 8.013 -12.428 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.711 6.304 -12.065 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.247 9.192 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.985 8.871 -9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.369 9.457 -11.089 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.600 7.468 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.261 6.823 -10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.407 8.557 -10.505 1.00 0.00 H new ATOM 620 N PRO A 41 18.397 7.249 -13.763 1.00 0.00 N ATOM 621 CA PRO A 41 18.608 8.040 -14.969 1.00 0.00 C ATOM 622 C PRO A 41 17.774 9.315 -14.946 1.00 0.00 C ATOM 623 O PRO A 41 16.656 9.326 -14.431 1.00 0.00 O ATOM 624 CB PRO A 41 18.196 7.102 -16.109 1.00 0.00 C ATOM 625 CG PRO A 41 18.389 5.734 -15.552 1.00 0.00 C ATOM 626 CD PRO A 41 18.025 5.841 -14.095 1.00 0.00 C ATOM 0 HA PRO A 41 19.638 8.381 -15.075 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.160 7.268 -16.405 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.810 7.260 -16.995 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.756 5.009 -16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.419 5.401 -15.676 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.964 5.653 -13.928 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.575 5.123 -13.487 1.00 0.00 H new ATOM 634 N ARG A 42 18.324 10.386 -15.505 1.00 0.00 N ATOM 635 CA ARG A 42 17.656 11.682 -15.498 1.00 0.00 C ATOM 636 C ARG A 42 16.358 11.637 -16.293 1.00 0.00 C ATOM 637 O ARG A 42 15.412 12.367 -15.997 1.00 0.00 O ATOM 638 CB ARG A 42 18.568 12.800 -15.983 1.00 0.00 C ATOM 639 CG ARG A 42 19.693 13.167 -15.030 1.00 0.00 C ATOM 640 CD ARG A 42 20.630 14.194 -15.554 1.00 0.00 C ATOM 641 NE ARG A 42 21.719 14.533 -14.653 1.00 0.00 N ATOM 642 CZ ARG A 42 22.743 15.351 -14.965 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.844 15.886 -16.161 1.00 0.00 N ATOM 644 NH2 ARG A 42 23.659 15.584 -14.040 1.00 0.00 N ATOM 0 H ARG A 42 19.232 10.383 -15.970 1.00 0.00 H new ATOM 0 HA ARG A 42 17.405 11.907 -14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.002 12.506 -16.939 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.963 13.688 -16.167 1.00 0.00 H new ATOM 0 HG2 ARG A 42 19.260 13.530 -14.098 1.00 0.00 H new ATOM 0 HG3 ARG A 42 20.258 12.266 -14.790 1.00 0.00 H new ATOM 0 HD2 ARG A 42 21.051 13.837 -16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 42 20.067 15.100 -15.780 1.00 0.00 H new ATOM 0 HE ARG A 42 21.707 14.123 -13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.140 15.684 -16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.626 16.503 -16.379 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.578 15.149 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.447 16.199 -14.246 1.00 0.00 H new ATOM 658 N SER A 43 16.317 10.775 -17.303 1.00 0.00 N ATOM 659 CA SER A 43 15.141 10.647 -18.154 1.00 0.00 C ATOM 660 C SER A 43 13.991 9.982 -17.409 1.00 0.00 C ATOM 661 O SER A 43 12.822 10.217 -17.716 1.00 0.00 O ATOM 662 CB SER A 43 15.485 9.861 -19.405 1.00 0.00 C ATOM 663 OG SER A 43 15.812 8.529 -19.115 1.00 0.00 O ATOM 0 H SER A 43 17.087 10.154 -17.552 1.00 0.00 H new ATOM 0 HA SER A 43 14.819 11.648 -18.441 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.639 9.885 -20.092 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.323 10.338 -19.914 1.00 0.00 H new ATOM 0 HG SER A 43 16.026 8.056 -19.946 1.00 0.00 H new ATOM 669 N GLN A 44 14.329 9.154 -16.428 1.00 0.00 N ATOM 670 CA GLN A 44 13.324 8.447 -15.641 1.00 0.00 C ATOM 671 C GLN A 44 12.478 9.417 -14.829 1.00 0.00 C ATOM 672 O GLN A 44 11.252 9.310 -14.795 1.00 0.00 O ATOM 673 CB GLN A 44 13.991 7.434 -14.706 1.00 0.00 C ATOM 674 CG GLN A 44 14.604 6.240 -15.418 1.00 0.00 C ATOM 675 CD GLN A 44 13.569 5.199 -15.798 1.00 0.00 C ATOM 676 OE1 GLN A 44 12.553 5.512 -16.425 1.00 0.00 O ATOM 677 NE2 GLN A 44 13.818 3.951 -15.416 1.00 0.00 N ATOM 0 H GLN A 44 15.292 8.955 -16.158 1.00 0.00 H new ATOM 0 HA GLN A 44 12.671 7.918 -16.336 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.769 7.941 -14.135 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.252 7.076 -13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.119 6.581 -16.316 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.355 5.783 -14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.671 3.736 -14.899 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.156 3.208 -15.640 1.00 0.00 H new ATOM 686 N ILE A 45 13.139 10.365 -14.174 1.00 0.00 N ATOM 687 CA ILE A 45 12.445 11.404 -13.422 1.00 0.00 C ATOM 688 C ILE A 45 11.747 12.387 -14.354 1.00 0.00 C ATOM 689 O ILE A 45 10.589 12.747 -14.139 1.00 0.00 O ATOM 690 CB ILE A 45 13.408 12.178 -12.504 1.00 0.00 C ATOM 691 CG1 ILE A 45 13.904 11.278 -11.370 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.729 13.419 -11.946 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.028 11.880 -10.557 1.00 0.00 C ATOM 0 H ILE A 45 14.156 10.435 -14.149 1.00 0.00 H new ATOM 0 HA ILE A 45 11.700 10.900 -12.807 1.00 0.00 H new ATOM 0 HB ILE A 45 14.269 12.494 -13.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.069 11.053 -10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.241 10.331 -11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.424 13.954 -11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.425 14.068 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.851 13.126 -11.371 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.324 11.183 -9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.880 12.080 -11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.691 12.812 -10.104 1.00 0.00 H new ATOM 705 N GLN A 46 12.458 12.817 -15.390 1.00 0.00 N ATOM 706 CA GLN A 46 11.925 13.795 -16.332 1.00 0.00 C ATOM 707 C GLN A 46 10.609 13.319 -16.934 1.00 0.00 C ATOM 708 O GLN A 46 9.672 14.101 -17.099 1.00 0.00 O ATOM 709 CB GLN A 46 12.935 14.069 -17.449 1.00 0.00 C ATOM 710 CG GLN A 46 12.488 15.121 -18.449 1.00 0.00 C ATOM 711 CD GLN A 46 12.358 16.497 -17.823 1.00 0.00 C ATOM 712 OE1 GLN A 46 13.240 16.943 -17.084 1.00 0.00 O ATOM 713 NE2 GLN A 46 11.254 17.175 -18.111 1.00 0.00 N ATOM 0 H GLN A 46 13.406 12.504 -15.599 1.00 0.00 H new ATOM 0 HA GLN A 46 11.740 14.718 -15.782 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.877 14.386 -17.002 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.132 13.139 -17.981 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.203 15.165 -19.270 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.529 14.828 -18.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.551 16.767 -18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.109 18.104 -17.716 1.00 0.00 H new ATOM 722 N ARG A 47 10.545 12.033 -17.262 1.00 0.00 N ATOM 723 CA ARG A 47 9.385 11.474 -17.946 1.00 0.00 C ATOM 724 C ARG A 47 8.498 10.697 -16.982 1.00 0.00 C ATOM 725 O ARG A 47 7.631 9.931 -17.402 1.00 0.00 O ATOM 726 CB ARG A 47 9.781 10.625 -19.146 1.00 0.00 C ATOM 727 CG ARG A 47 10.414 11.394 -20.294 1.00 0.00 C ATOM 728 CD ARG A 47 10.783 10.557 -21.463 1.00 0.00 C ATOM 729 NE ARG A 47 11.580 11.241 -22.468 1.00 0.00 N ATOM 730 CZ ARG A 47 11.078 12.045 -23.426 1.00 0.00 C ATOM 731 NH1 ARG A 47 9.782 12.237 -23.538 1.00 0.00 N ATOM 732 NH2 ARG A 47 11.922 12.616 -24.267 1.00 0.00 N ATOM 0 H ARG A 47 11.284 11.358 -17.065 1.00 0.00 H new ATOM 0 HA ARG A 47 8.805 12.313 -18.331 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.479 9.857 -18.814 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.894 10.111 -19.517 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.721 12.169 -20.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.308 11.899 -19.928 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.336 9.686 -21.110 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.871 10.187 -21.931 1.00 0.00 H new ATOM 0 HE ARG A 47 12.590 11.103 -22.447 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.140 11.774 -22.894 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.418 12.849 -24.269 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.924 12.443 -24.181 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.572 13.230 -25.003 1.00 0.00 H new ATOM 746 N ALA A 48 8.720 10.901 -15.687 1.00 0.00 N ATOM 747 CA ALA A 48 7.960 10.197 -14.661 1.00 0.00 C ATOM 748 C ALA A 48 6.505 10.646 -14.647 1.00 0.00 C ATOM 749 O ALA A 48 6.214 11.842 -14.690 1.00 0.00 O ATOM 750 CB ALA A 48 8.597 10.408 -13.295 1.00 0.00 C ATOM 0 H ALA A 48 9.420 11.548 -15.324 1.00 0.00 H new ATOM 0 HA ALA A 48 7.978 9.133 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.019 9.877 -12.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.618 10.026 -13.307 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.611 11.472 -13.060 1.00 0.00 H new ATOM 756 N ARG A 49 5.594 9.682 -14.587 1.00 0.00 N ATOM 757 CA ARG A 49 4.182 9.974 -14.369 1.00 0.00 C ATOM 758 C ARG A 49 3.839 9.958 -12.885 1.00 0.00 C ATOM 759 O ARG A 49 4.571 9.389 -12.075 1.00 0.00 O ATOM 760 CB ARG A 49 3.275 9.044 -15.161 1.00 0.00 C ATOM 761 CG ARG A 49 3.365 9.196 -16.671 1.00 0.00 C ATOM 762 CD ARG A 49 2.356 8.411 -17.427 1.00 0.00 C ATOM 763 NE ARG A 49 0.989 8.888 -17.283 1.00 0.00 N ATOM 764 CZ ARG A 49 -0.088 8.302 -17.839 1.00 0.00 C ATOM 765 NH1 ARG A 49 0.037 7.242 -18.605 1.00 0.00 N ATOM 766 NH2 ARG A 49 -1.276 8.837 -17.613 1.00 0.00 N ATOM 0 H ARG A 49 5.808 8.690 -14.686 1.00 0.00 H new ATOM 0 HA ARG A 49 4.002 10.982 -14.742 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.517 8.014 -14.899 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.244 9.217 -14.854 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.253 10.250 -16.925 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.361 8.894 -16.996 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.622 8.423 -18.484 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.402 7.373 -17.099 1.00 0.00 H new ATOM 0 HE ARG A 49 0.836 9.725 -16.721 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.961 6.850 -18.787 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.790 6.811 -19.018 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.357 9.671 -17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.111 8.416 -18.021 1.00 0.00 H new ATOM 780 N PRO A 50 2.720 10.584 -12.534 1.00 0.00 N ATOM 781 CA PRO A 50 2.257 10.609 -11.153 1.00 0.00 C ATOM 782 C PRO A 50 2.209 9.205 -10.563 1.00 0.00 C ATOM 783 O PRO A 50 2.470 9.011 -9.375 1.00 0.00 O ATOM 784 CB PRO A 50 0.866 11.247 -11.236 1.00 0.00 C ATOM 785 CG PRO A 50 0.931 12.123 -12.440 1.00 0.00 C ATOM 786 CD PRO A 50 1.795 11.383 -13.426 1.00 0.00 C ATOM 0 HA PRO A 50 2.922 11.168 -10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.087 10.491 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.638 11.822 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.063 12.305 -12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.358 13.096 -12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.204 10.738 -14.076 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.347 12.066 -14.071 1.00 0.00 H new ATOM 794 N VAL A 51 1.874 8.228 -11.399 1.00 0.00 N ATOM 795 CA VAL A 51 1.826 6.835 -10.970 1.00 0.00 C ATOM 796 C VAL A 51 3.197 6.180 -11.074 1.00 0.00 C ATOM 797 O VAL A 51 3.643 5.503 -10.148 1.00 0.00 O ATOM 798 CB VAL A 51 0.815 6.023 -11.801 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.855 4.555 -11.401 1.00 0.00 C ATOM 800 CG2 VAL A 51 -0.589 6.582 -11.627 1.00 0.00 C ATOM 0 H VAL A 51 1.631 8.375 -12.379 1.00 0.00 H new ATOM 0 HA VAL A 51 1.506 6.837 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 51 1.091 6.103 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.135 3.996 -11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.855 4.158 -11.574 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.604 4.459 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.290 5.996 -12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.873 6.531 -10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.611 7.620 -11.959 1.00 0.00 H new ATOM 810 N LYS A 52 3.861 6.385 -12.205 1.00 0.00 N ATOM 811 CA LYS A 52 5.116 5.701 -12.492 1.00 0.00 C ATOM 812 C LYS A 52 6.230 6.184 -11.572 1.00 0.00 C ATOM 813 O LYS A 52 7.166 5.444 -11.273 1.00 0.00 O ATOM 814 CB LYS A 52 5.516 5.904 -13.954 1.00 0.00 C ATOM 815 CG LYS A 52 4.622 5.189 -14.957 1.00 0.00 C ATOM 816 CD LYS A 52 5.092 5.425 -16.385 1.00 0.00 C ATOM 817 CE LYS A 52 4.214 4.689 -17.386 1.00 0.00 C ATOM 818 NZ LYS A 52 4.671 4.898 -18.787 1.00 0.00 N ATOM 0 H LYS A 52 3.551 7.021 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 52 4.963 4.637 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.508 6.971 -14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.541 5.558 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.618 4.120 -14.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.596 5.540 -14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.078 6.493 -16.603 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.124 5.092 -16.490 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.219 3.623 -17.158 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.184 5.031 -17.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.046 4.380 -19.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.642 5.913 -19.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.645 4.548 -18.890 1.00 0.00 H new ATOM 832 N MET A 53 6.122 7.431 -11.126 1.00 0.00 N ATOM 833 CA MET A 53 7.135 8.025 -10.261 1.00 0.00 C ATOM 834 C MET A 53 7.268 7.252 -8.956 1.00 0.00 C ATOM 835 O MET A 53 8.375 6.977 -8.496 1.00 0.00 O ATOM 836 CB MET A 53 6.793 9.487 -9.977 1.00 0.00 C ATOM 837 CG MET A 53 7.827 10.224 -9.139 1.00 0.00 C ATOM 838 SD MET A 53 7.363 11.934 -8.806 1.00 0.00 S ATOM 839 CE MET A 53 7.625 12.675 -10.415 1.00 0.00 C ATOM 0 H MET A 53 5.343 8.050 -11.349 1.00 0.00 H new ATOM 0 HA MET A 53 8.093 7.977 -10.779 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.673 10.010 -10.926 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.831 9.530 -9.465 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.964 9.699 -8.194 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.787 10.206 -9.656 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.431 13.746 -10.358 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.656 12.509 -10.729 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.948 12.222 -11.139 1.00 0.00 H new ATOM 849 N ALA A 54 6.130 6.903 -8.362 1.00 0.00 N ATOM 850 CA ALA A 54 6.118 6.119 -7.133 1.00 0.00 C ATOM 851 C ALA A 54 6.868 4.805 -7.310 1.00 0.00 C ATOM 852 O ALA A 54 7.655 4.408 -6.450 1.00 0.00 O ATOM 853 CB ALA A 54 4.687 5.859 -6.686 1.00 0.00 C ATOM 0 H ALA A 54 5.205 7.151 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 54 6.629 6.694 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.694 5.273 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.184 6.809 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.157 5.309 -7.464 1.00 0.00 H new ATOM 859 N THR A 55 6.622 4.135 -8.430 1.00 0.00 N ATOM 860 CA THR A 55 7.297 2.879 -8.736 1.00 0.00 C ATOM 861 C THR A 55 8.794 3.091 -8.922 1.00 0.00 C ATOM 862 O THR A 55 9.607 2.300 -8.442 1.00 0.00 O ATOM 863 CB THR A 55 6.721 2.222 -10.003 1.00 0.00 C ATOM 864 OG1 THR A 55 5.340 1.903 -9.794 1.00 0.00 O ATOM 865 CG2 THR A 55 7.485 0.950 -10.340 1.00 0.00 C ATOM 0 H THR A 55 5.959 4.441 -9.142 1.00 0.00 H new ATOM 0 HA THR A 55 7.129 2.217 -7.887 1.00 0.00 H new ATOM 0 HB THR A 55 6.818 2.923 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.975 1.486 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.063 0.500 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.534 1.191 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.406 0.247 -9.511 1.00 0.00 H new ATOM 873 N LEU A 56 9.153 4.162 -9.620 1.00 0.00 N ATOM 874 CA LEU A 56 10.555 4.494 -9.849 1.00 0.00 C ATOM 875 C LEU A 56 11.286 4.728 -8.533 1.00 0.00 C ATOM 876 O LEU A 56 12.410 4.260 -8.345 1.00 0.00 O ATOM 877 CB LEU A 56 10.667 5.730 -10.749 1.00 0.00 C ATOM 878 CG LEU A 56 10.275 5.508 -12.215 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.203 6.843 -12.944 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.287 4.585 -12.878 1.00 0.00 C ATOM 0 H LEU A 56 8.492 4.817 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 56 11.026 3.648 -10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.037 6.518 -10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.694 6.092 -10.715 1.00 0.00 H new ATOM 0 HG LEU A 56 9.291 5.041 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.924 6.675 -13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.457 7.479 -12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.176 7.332 -12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.008 4.428 -13.920 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.277 5.038 -12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.302 3.627 -12.358 1.00 0.00 H new ATOM 892 N LEU A 57 10.644 5.453 -7.625 1.00 0.00 N ATOM 893 CA LEU A 57 11.244 5.775 -6.336 1.00 0.00 C ATOM 894 C LEU A 57 11.477 4.518 -5.507 1.00 0.00 C ATOM 895 O LEU A 57 12.507 4.380 -4.848 1.00 0.00 O ATOM 896 CB LEU A 57 10.356 6.763 -5.569 1.00 0.00 C ATOM 897 CG LEU A 57 10.219 8.151 -6.208 1.00 0.00 C ATOM 898 CD1 LEU A 57 9.126 8.944 -5.505 1.00 0.00 C ATOM 899 CD2 LEU A 57 11.552 8.881 -6.128 1.00 0.00 C ATOM 0 H LEU A 57 9.706 5.830 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 57 12.213 6.240 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.362 6.328 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.758 6.882 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 57 9.941 8.043 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.037 9.928 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.178 8.414 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.380 9.059 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.455 9.867 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.845 8.990 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.312 8.310 -6.661 1.00 0.00 H new ATOM 911 N VAL A 58 10.513 3.603 -5.546 1.00 0.00 N ATOM 912 CA VAL A 58 10.643 2.324 -4.858 1.00 0.00 C ATOM 913 C VAL A 58 11.764 1.487 -5.460 1.00 0.00 C ATOM 914 O VAL A 58 12.514 0.828 -4.740 1.00 0.00 O ATOM 915 CB VAL A 58 9.331 1.520 -4.908 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.552 0.108 -4.386 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.245 2.220 -4.105 1.00 0.00 C ATOM 0 H VAL A 58 9.633 3.724 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 58 10.880 2.549 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 58 9.005 1.458 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.615 -0.446 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.299 -0.394 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.901 0.152 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.325 1.637 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.563 2.313 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.068 3.212 -4.520 1.00 0.00 H new ATOM 927 N THR A 59 11.874 1.518 -6.783 1.00 0.00 N ATOM 928 CA THR A 59 12.841 0.687 -7.491 1.00 0.00 C ATOM 929 C THR A 59 14.269 1.100 -7.162 1.00 0.00 C ATOM 930 O THR A 59 15.104 0.264 -6.818 1.00 0.00 O ATOM 931 CB THR A 59 12.636 0.756 -9.016 1.00 0.00 C ATOM 932 OG1 THR A 59 11.347 0.227 -9.353 1.00 0.00 O ATOM 933 CG2 THR A 59 13.711 -0.042 -9.736 1.00 0.00 C ATOM 0 H THR A 59 11.305 2.110 -7.388 1.00 0.00 H new ATOM 0 HA THR A 59 12.677 -0.338 -7.157 1.00 0.00 H new ATOM 0 HB THR A 59 12.701 1.798 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.653 0.869 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.550 0.019 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.692 0.367 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.664 -1.084 -9.420 1.00 0.00 H new ATOM 941 N TYR A 60 14.544 2.395 -7.269 1.00 0.00 N ATOM 942 CA TYR A 60 15.915 2.893 -7.232 1.00 0.00 C ATOM 943 C TYR A 60 16.352 3.198 -5.806 1.00 0.00 C ATOM 944 O TYR A 60 17.515 3.011 -5.450 1.00 0.00 O ATOM 945 CB TYR A 60 16.053 4.145 -8.102 1.00 0.00 C ATOM 946 CG TYR A 60 16.065 3.861 -9.588 1.00 0.00 C ATOM 947 CD1 TYR A 60 17.235 3.485 -10.230 1.00 0.00 C ATOM 948 CD2 TYR A 60 14.906 3.970 -10.344 1.00 0.00 C ATOM 949 CE1 TYR A 60 17.252 3.225 -11.587 1.00 0.00 C ATOM 950 CE2 TYR A 60 14.912 3.711 -11.701 1.00 0.00 C ATOM 951 CZ TYR A 60 16.089 3.339 -12.320 1.00 0.00 C ATOM 952 OH TYR A 60 16.101 3.081 -13.671 1.00 0.00 O ATOM 0 H TYR A 60 13.835 3.120 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 60 16.564 2.112 -7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.230 4.823 -7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.974 4.662 -7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 18.148 3.394 -9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.984 4.262 -9.863 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.172 2.934 -12.072 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.001 3.799 -12.275 1.00 0.00 H new ATOM 0 HH TYR A 60 15.615 2.249 -13.850 1.00 0.00 H new ATOM 962 N TYR A 61 15.414 3.668 -4.992 1.00 0.00 N ATOM 963 CA TYR A 61 15.732 4.159 -3.657 1.00 0.00 C ATOM 964 C TYR A 61 15.221 3.207 -2.583 1.00 0.00 C ATOM 965 O TYR A 61 15.951 2.846 -1.660 1.00 0.00 O ATOM 966 CB TYR A 61 15.144 5.556 -3.444 1.00 0.00 C ATOM 967 CG TYR A 61 15.590 6.572 -4.472 1.00 0.00 C ATOM 968 CD1 TYR A 61 16.919 6.958 -4.557 1.00 0.00 C ATOM 969 CD2 TYR A 61 14.682 7.143 -5.350 1.00 0.00 C ATOM 970 CE1 TYR A 61 17.334 7.887 -5.493 1.00 0.00 C ATOM 971 CE2 TYR A 61 15.085 8.072 -6.291 1.00 0.00 C ATOM 972 CZ TYR A 61 16.413 8.441 -6.358 1.00 0.00 C ATOM 973 OH TYR A 61 16.820 9.368 -7.291 1.00 0.00 O ATOM 0 H TYR A 61 14.425 3.719 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 61 16.817 4.216 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.056 5.488 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.424 5.910 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.642 6.526 -3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.642 6.857 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 61 18.373 8.177 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.365 8.506 -6.969 1.00 0.00 H new ATOM 0 HH TYR A 61 17.796 9.345 -7.371 1.00 0.00 H new ATOM 983 N GLY A 62 13.961 2.803 -2.709 1.00 0.00 N ATOM 984 CA GLY A 62 13.372 1.836 -1.791 1.00 0.00 C ATOM 985 C GLY A 62 11.962 2.251 -1.385 1.00 0.00 C ATOM 986 O GLY A 62 11.547 3.385 -1.621 1.00 0.00 O ATOM 0 H GLY A 62 13.328 3.131 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.344 0.854 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.997 1.746 -0.903 1.00 0.00 H new ATOM 990 N GLU A 63 11.232 1.324 -0.774 1.00 0.00 N ATOM 991 CA GLU A 63 9.847 1.570 -0.392 1.00 0.00 C ATOM 992 C GLU A 63 9.751 2.677 0.651 1.00 0.00 C ATOM 993 O GLU A 63 8.985 3.627 0.493 1.00 0.00 O ATOM 994 CB GLU A 63 9.201 0.289 0.140 1.00 0.00 C ATOM 995 CG GLU A 63 8.940 -0.771 -0.920 1.00 0.00 C ATOM 996 CD GLU A 63 8.447 -2.050 -0.305 1.00 0.00 C ATOM 997 OE1 GLU A 63 8.386 -2.123 0.899 1.00 0.00 O ATOM 998 OE2 GLU A 63 8.026 -2.915 -1.037 1.00 0.00 O ATOM 0 H GLU A 63 11.577 0.395 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 63 9.309 1.894 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.845 -0.136 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.257 0.545 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.204 -0.401 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.856 -0.963 -1.478 1.00 0.00 H new ATOM 1005 N GLU A 64 10.532 2.547 1.718 1.00 0.00 N ATOM 1006 CA GLU A 64 10.528 3.529 2.796 1.00 0.00 C ATOM 1007 C GLU A 64 11.279 4.791 2.394 1.00 0.00 C ATOM 1008 O GLU A 64 10.932 5.893 2.817 1.00 0.00 O ATOM 1009 CB GLU A 64 11.140 2.933 4.065 1.00 0.00 C ATOM 1010 CG GLU A 64 10.313 1.826 4.702 1.00 0.00 C ATOM 1011 CD GLU A 64 11.021 1.231 5.889 1.00 0.00 C ATOM 1012 OE1 GLU A 64 12.121 1.642 6.169 1.00 0.00 O ATOM 1013 OE2 GLU A 64 10.417 0.447 6.583 1.00 0.00 O ATOM 0 H GLU A 64 11.177 1.770 1.859 1.00 0.00 H new ATOM 0 HA GLU A 64 9.491 3.800 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.129 2.540 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.281 3.730 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.347 2.224 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.115 1.047 3.966 1.00 0.00 H new ATOM 1020 N TYR A 65 12.310 4.624 1.572 1.00 0.00 N ATOM 1021 CA TYR A 65 13.132 5.747 1.136 1.00 0.00 C ATOM 1022 C TYR A 65 12.409 6.585 0.090 1.00 0.00 C ATOM 1023 O TYR A 65 12.693 7.771 -0.074 1.00 0.00 O ATOM 1024 CB TYR A 65 14.467 5.247 0.578 1.00 0.00 C ATOM 1025 CG TYR A 65 15.368 4.617 1.616 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.027 5.398 2.554 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.559 3.243 1.655 1.00 0.00 C ATOM 1028 CE1 TYR A 65 16.852 4.828 3.505 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.380 2.662 2.602 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.026 3.459 3.525 1.00 0.00 C ATOM 1031 OH TYR A 65 17.847 2.886 4.470 1.00 0.00 O ATOM 0 H TYR A 65 12.596 3.721 1.194 1.00 0.00 H new ATOM 0 HA TYR A 65 13.324 6.377 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.271 4.518 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.992 6.083 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.893 6.470 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 65 15.057 2.617 0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 65 17.358 5.450 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.515 1.591 2.620 1.00 0.00 H new ATOM 0 HH TYR A 65 17.859 1.914 4.347 1.00 0.00 H new ATOM 1041 N ALA A 66 11.472 5.960 -0.617 1.00 0.00 N ATOM 1042 CA ALA A 66 10.603 6.679 -1.541 1.00 0.00 C ATOM 1043 C ALA A 66 9.711 7.668 -0.802 1.00 0.00 C ATOM 1044 O ALA A 66 9.515 8.797 -1.251 1.00 0.00 O ATOM 1045 CB ALA A 66 9.762 5.700 -2.346 1.00 0.00 C ATOM 0 H ALA A 66 11.296 4.957 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 66 11.234 7.245 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.118 6.251 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.417 5.040 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.147 5.106 -1.669 1.00 0.00 H new ATOM 1051 N VAL A 67 9.174 7.237 0.334 1.00 0.00 N ATOM 1052 CA VAL A 67 8.323 8.094 1.152 1.00 0.00 C ATOM 1053 C VAL A 67 9.128 9.211 1.802 1.00 0.00 C ATOM 1054 O VAL A 67 8.699 10.365 1.827 1.00 0.00 O ATOM 1055 CB VAL A 67 7.599 7.290 2.249 1.00 0.00 C ATOM 1056 CG1 VAL A 67 6.873 8.226 3.203 1.00 0.00 C ATOM 1057 CG2 VAL A 67 6.625 6.300 1.629 1.00 0.00 C ATOM 0 H VAL A 67 9.313 6.299 0.710 1.00 0.00 H new ATOM 0 HA VAL A 67 7.580 8.529 0.483 1.00 0.00 H new ATOM 0 HB VAL A 67 8.344 6.731 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.367 7.642 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.592 8.897 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.138 8.811 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.123 5.741 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.884 6.839 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.169 5.609 0.985 1.00 0.00 H new ATOM 1067 N GLN A 68 10.297 8.862 2.329 1.00 0.00 N ATOM 1068 CA GLN A 68 11.158 9.834 2.992 1.00 0.00 C ATOM 1069 C GLN A 68 11.675 10.875 2.009 1.00 0.00 C ATOM 1070 O GLN A 68 11.694 12.069 2.307 1.00 0.00 O ATOM 1071 CB GLN A 68 12.338 9.129 3.667 1.00 0.00 C ATOM 1072 CG GLN A 68 11.962 8.327 4.900 1.00 0.00 C ATOM 1073 CD GLN A 68 13.138 7.555 5.470 1.00 0.00 C ATOM 1074 OE1 GLN A 68 14.233 7.558 4.901 1.00 0.00 O ATOM 1075 NE2 GLN A 68 12.916 6.886 6.595 1.00 0.00 N ATOM 0 H GLN A 68 10.670 7.913 2.310 1.00 0.00 H new ATOM 0 HA GLN A 68 10.562 10.343 3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.810 8.463 2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.081 9.876 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.569 9.000 5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.162 7.631 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.994 6.912 7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.667 6.346 7.024 1.00 0.00 H new ATOM 1084 N LEU A 69 12.094 10.416 0.834 1.00 0.00 N ATOM 1085 CA LEU A 69 12.606 11.308 -0.199 1.00 0.00 C ATOM 1086 C LEU A 69 11.523 12.256 -0.696 1.00 0.00 C ATOM 1087 O LEU A 69 11.714 13.471 -0.728 1.00 0.00 O ATOM 1088 CB LEU A 69 13.178 10.493 -1.366 1.00 0.00 C ATOM 1089 CG LEU A 69 13.737 11.324 -2.529 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.861 12.225 -2.035 1.00 0.00 C ATOM 1091 CD2 LEU A 69 14.235 10.393 -3.626 1.00 0.00 C ATOM 0 H LEU A 69 12.089 9.430 0.574 1.00 0.00 H new ATOM 0 HA LEU A 69 13.403 11.910 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.971 9.850 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.395 9.839 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 69 12.948 11.956 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.251 12.810 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.478 12.897 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.660 11.613 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.632 10.983 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.021 9.750 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.409 9.778 -3.984 1.00 0.00 H new ATOM 1103 N THR A 70 10.382 11.693 -1.083 1.00 0.00 N ATOM 1104 CA THR A 70 9.251 12.490 -1.539 1.00 0.00 C ATOM 1105 C THR A 70 8.828 13.502 -0.481 1.00 0.00 C ATOM 1106 O THR A 70 8.530 14.654 -0.796 1.00 0.00 O ATOM 1107 CB THR A 70 8.044 11.604 -1.898 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.391 10.737 -2.985 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.852 12.461 -2.299 1.00 0.00 C ATOM 0 H THR A 70 10.218 10.686 -1.089 1.00 0.00 H new ATOM 0 HA THR A 70 9.580 13.019 -2.433 1.00 0.00 H new ATOM 0 HB THR A 70 7.775 11.012 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.814 9.926 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.009 11.817 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.577 13.113 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.115 13.067 -3.166 1.00 0.00 H new ATOM 1117 N LEU A 71 8.804 13.064 0.773 1.00 0.00 N ATOM 1118 CA LEU A 71 8.474 13.947 1.886 1.00 0.00 C ATOM 1119 C LEU A 71 9.368 15.179 1.895 1.00 0.00 C ATOM 1120 O LEU A 71 8.884 16.310 1.953 1.00 0.00 O ATOM 1121 CB LEU A 71 8.594 13.191 3.215 1.00 0.00 C ATOM 1122 CG LEU A 71 8.040 13.931 4.439 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.746 12.942 5.558 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.043 14.979 4.896 1.00 0.00 C ATOM 0 H LEU A 71 9.009 12.102 1.044 1.00 0.00 H new ATOM 0 HA LEU A 71 7.444 14.281 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.074 12.238 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.645 12.965 3.392 1.00 0.00 H new ATOM 0 HG LEU A 71 7.109 14.430 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.353 13.477 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.010 12.214 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.664 12.425 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.649 15.505 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.982 14.493 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.218 15.691 4.090 1.00 0.00 H new ATOM 1136 N GLN A 72 10.677 14.956 1.838 1.00 0.00 N ATOM 1137 CA GLN A 72 11.643 16.046 1.893 1.00 0.00 C ATOM 1138 C GLN A 72 11.521 16.955 0.677 1.00 0.00 C ATOM 1139 O GLN A 72 11.635 18.175 0.788 1.00 0.00 O ATOM 1140 CB GLN A 72 13.069 15.494 1.983 1.00 0.00 C ATOM 1141 CG GLN A 72 13.411 14.868 3.325 1.00 0.00 C ATOM 1142 CD GLN A 72 14.791 14.239 3.335 1.00 0.00 C ATOM 1143 OE1 GLN A 72 15.478 14.199 2.310 1.00 0.00 O ATOM 1144 NE2 GLN A 72 15.204 13.741 4.495 1.00 0.00 N ATOM 0 H GLN A 72 11.093 14.029 1.754 1.00 0.00 H new ATOM 0 HA GLN A 72 11.427 16.633 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.208 14.748 1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.773 16.302 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.356 15.630 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.667 14.109 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.602 13.796 5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.123 13.303 4.564 1.00 0.00 H new ATOM 1153 N VAL A 73 11.286 16.353 -0.484 1.00 0.00 N ATOM 1154 CA VAL A 73 11.169 17.105 -1.727 1.00 0.00 C ATOM 1155 C VAL A 73 9.890 17.932 -1.752 1.00 0.00 C ATOM 1156 O VAL A 73 9.862 19.033 -2.302 1.00 0.00 O ATOM 1157 CB VAL A 73 11.191 16.175 -2.954 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.898 16.961 -4.224 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.534 15.470 -3.066 1.00 0.00 C ATOM 0 H VAL A 73 11.173 15.345 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 73 12.030 17.772 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 73 10.415 15.421 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.918 16.288 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.913 17.422 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.653 17.736 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.531 14.817 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.326 16.211 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.709 14.876 -2.169 1.00 0.00 H new ATOM 1169 N LEU A 74 8.833 17.395 -1.154 1.00 0.00 N ATOM 1170 CA LEU A 74 7.590 18.138 -0.983 1.00 0.00 C ATOM 1171 C LEU A 74 7.808 19.390 -0.144 1.00 0.00 C ATOM 1172 O LEU A 74 7.312 20.467 -0.476 1.00 0.00 O ATOM 1173 CB LEU A 74 6.522 17.245 -0.339 1.00 0.00 C ATOM 1174 CG LEU A 74 5.903 16.193 -1.269 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.037 15.231 -0.468 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.082 16.887 -2.347 1.00 0.00 C ATOM 0 H LEU A 74 8.812 16.447 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 74 7.244 18.449 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.965 16.735 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.725 17.880 0.047 1.00 0.00 H new ATOM 0 HG LEU A 74 6.697 15.619 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.603 14.489 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.648 14.729 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.239 15.785 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.643 16.139 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.288 17.471 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.727 17.548 -2.926 1.00 0.00 H new ATOM 1188 N ARG A 75 8.554 19.244 0.947 1.00 0.00 N ATOM 1189 CA ARG A 75 8.927 20.382 1.778 1.00 0.00 C ATOM 1190 C ARG A 75 9.794 21.368 1.005 1.00 0.00 C ATOM 1191 O ARG A 75 9.734 22.576 1.236 1.00 0.00 O ATOM 1192 CB ARG A 75 9.595 19.950 3.075 1.00 0.00 C ATOM 1193 CG ARG A 75 8.662 19.318 4.096 1.00 0.00 C ATOM 1194 CD ARG A 75 9.325 18.903 5.358 1.00 0.00 C ATOM 1195 NE ARG A 75 8.420 18.398 6.377 1.00 0.00 N ATOM 1196 CZ ARG A 75 8.810 17.871 7.554 1.00 0.00 C ATOM 1197 NH1 ARG A 75 10.084 17.743 7.849 1.00 0.00 N ATOM 1198 NH2 ARG A 75 7.875 17.462 8.395 1.00 0.00 N ATOM 0 H ARG A 75 8.912 18.347 1.276 1.00 0.00 H new ATOM 0 HA ARG A 75 8.005 20.894 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.387 19.239 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.071 20.819 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.868 20.027 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.187 18.446 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.062 18.132 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.870 19.755 5.764 1.00 0.00 H new ATOM 0 HE ARG A 75 7.419 18.446 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.795 18.045 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.362 17.342 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.890 17.550 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.139 17.059 9.294 1.00 0.00 H new ATOM 1212 N ALA A 76 10.601 20.846 0.088 1.00 0.00 N ATOM 1213 CA ALA A 76 11.482 21.679 -0.722 1.00 0.00 C ATOM 1214 C ALA A 76 10.685 22.570 -1.664 1.00 0.00 C ATOM 1215 O ALA A 76 11.151 23.634 -2.071 1.00 0.00 O ATOM 1216 CB ALA A 76 12.458 20.813 -1.505 1.00 0.00 C ATOM 0 H ALA A 76 10.663 19.848 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 76 12.048 22.324 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.109 21.449 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.062 20.227 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.904 20.141 -2.160 1.00 0.00 H new ATOM 1222 N ILE A 77 9.478 22.131 -2.006 1.00 0.00 N ATOM 1223 CA ILE A 77 8.604 22.899 -2.885 1.00 0.00 C ATOM 1224 C ILE A 77 7.459 23.534 -2.105 1.00 0.00 C ATOM 1225 O ILE A 77 6.420 23.870 -2.674 1.00 0.00 O ATOM 1226 CB ILE A 77 8.023 22.023 -4.010 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.184 20.886 -3.423 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.139 21.470 -4.882 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.355 20.146 -4.448 1.00 0.00 C ATOM 0 H ILE A 77 9.083 21.246 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 77 9.216 23.684 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 77 7.376 22.641 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.847 20.178 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.521 21.293 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.711 20.853 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.696 22.295 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.811 20.865 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.789 19.355 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.666 20.840 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.012 19.708 -5.199 1.00 0.00 H new ATOM 1241 N ASN A 78 7.656 23.697 -0.802 1.00 0.00 N ATOM 1242 CA ASN A 78 6.717 24.441 0.028 1.00 0.00 C ATOM 1243 C ASN A 78 5.374 23.727 0.116 1.00 0.00 C ATOM 1244 O ASN A 78 4.330 24.364 0.261 1.00 0.00 O ATOM 1245 CB ASN A 78 6.526 25.857 -0.484 1.00 0.00 C ATOM 1246 CG ASN A 78 7.737 26.731 -0.312 1.00 0.00 C ATOM 1247 OD1 ASN A 78 8.566 26.511 0.579 1.00 0.00 O ATOM 1248 ND2 ASN A 78 7.801 27.770 -1.106 1.00 0.00 N ATOM 0 H ASN A 78 8.459 23.323 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 78 7.145 24.495 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.264 25.819 -1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.684 26.312 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.560 28.443 -1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.091 27.906 -1.826 1.00 0.00 H new ATOM 1255 N GLN A 79 5.407 22.402 0.028 1.00 0.00 N ATOM 1256 CA GLN A 79 4.218 21.589 0.254 1.00 0.00 C ATOM 1257 C GLN A 79 4.337 20.784 1.541 1.00 0.00 C ATOM 1258 O GLN A 79 4.508 19.565 1.508 1.00 0.00 O ATOM 1259 CB GLN A 79 3.983 20.644 -0.928 1.00 0.00 C ATOM 1260 CG GLN A 79 3.685 21.349 -2.240 1.00 0.00 C ATOM 1261 CD GLN A 79 2.372 22.110 -2.202 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.357 21.602 -1.720 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.386 23.336 -2.714 1.00 0.00 N ATOM 0 H GLN A 79 6.246 21.867 -0.199 1.00 0.00 H new ATOM 0 HA GLN A 79 3.368 22.265 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.865 20.017 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.152 19.980 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.496 22.040 -2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.653 20.615 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.249 23.717 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.534 23.897 -2.719 1.00 0.00 H new ATOM 1272 N ARG A 80 4.246 21.471 2.674 1.00 0.00 N ATOM 1273 CA ARG A 80 4.374 20.825 3.975 1.00 0.00 C ATOM 1274 C ARG A 80 3.163 19.952 4.278 1.00 0.00 C ATOM 1275 O ARG A 80 3.274 18.939 4.969 1.00 0.00 O ATOM 1276 CB ARG A 80 4.630 21.828 5.090 1.00 0.00 C ATOM 1277 CG ARG A 80 6.027 22.429 5.102 1.00 0.00 C ATOM 1278 CD ARG A 80 6.267 23.400 6.199 1.00 0.00 C ATOM 1279 NE ARG A 80 7.621 23.928 6.252 1.00 0.00 N ATOM 1280 CZ ARG A 80 8.044 24.862 7.125 1.00 0.00 C ATOM 1281 NH1 ARG A 80 7.218 25.401 7.995 1.00 0.00 N ATOM 1282 NH2 ARG A 80 9.309 25.241 7.070 1.00 0.00 N ATOM 0 H ARG A 80 4.084 22.477 2.718 1.00 0.00 H new ATOM 0 HA ARG A 80 5.249 20.177 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.903 22.636 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.453 21.338 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.756 21.622 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.204 22.926 4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.570 24.231 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.041 22.918 7.150 1.00 0.00 H new ATOM 0 HE ARG A 80 8.298 23.565 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.240 25.113 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.556 26.107 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.936 24.828 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.659 25.947 7.718 1.00 0.00 H new ATOM 1296 N LEU A 81 2.008 20.349 3.756 1.00 0.00 N ATOM 1297 CA LEU A 81 0.767 19.623 4.000 1.00 0.00 C ATOM 1298 C LEU A 81 0.849 18.197 3.470 1.00 0.00 C ATOM 1299 O LEU A 81 0.400 17.256 4.123 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.414 20.363 3.361 1.00 0.00 C ATOM 1301 CG LEU A 81 -0.785 21.697 4.023 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -1.843 22.415 3.197 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -1.286 21.441 5.437 1.00 0.00 C ATOM 0 H LEU A 81 1.905 21.171 3.160 1.00 0.00 H new ATOM 0 HA LEU A 81 0.611 19.572 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.181 20.548 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.286 19.710 3.383 1.00 0.00 H new ATOM 0 HG LEU A 81 0.097 22.335 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.099 23.360 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.455 22.608 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.734 21.791 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.549 22.389 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.165 20.797 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.503 20.953 6.018 1.00 0.00 H new ATOM 1315 N LEU A 82 1.424 18.046 2.282 1.00 0.00 N ATOM 1316 CA LEU A 82 1.572 16.734 1.664 1.00 0.00 C ATOM 1317 C LEU A 82 2.694 15.939 2.320 1.00 0.00 C ATOM 1318 O LEU A 82 2.644 14.711 2.380 1.00 0.00 O ATOM 1319 CB LEU A 82 1.832 16.882 0.160 1.00 0.00 C ATOM 1320 CG LEU A 82 0.682 17.504 -0.643 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.099 17.684 -2.096 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.549 16.617 -0.540 1.00 0.00 C ATOM 0 H LEU A 82 1.796 18.817 1.727 1.00 0.00 H new ATOM 0 HA LEU A 82 0.642 16.185 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.724 17.493 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.052 15.898 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 82 0.441 18.485 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.277 18.126 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.968 18.341 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.352 16.714 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.365 17.060 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.320 15.629 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.845 16.525 0.505 1.00 0.00 H new ATOM 1334 N ALA A 83 3.706 16.647 2.810 1.00 0.00 N ATOM 1335 CA ALA A 83 4.797 16.018 3.544 1.00 0.00 C ATOM 1336 C ALA A 83 4.303 15.401 4.846 1.00 0.00 C ATOM 1337 O ALA A 83 4.763 14.335 5.254 1.00 0.00 O ATOM 1338 CB ALA A 83 5.903 17.027 3.817 1.00 0.00 C ATOM 0 H ALA A 83 3.793 17.659 2.712 1.00 0.00 H new ATOM 0 HA ALA A 83 5.200 15.215 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.710 16.542 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.286 17.411 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.506 17.851 4.409 1.00 0.00 H new ATOM 1344 N GLU A 84 3.363 16.080 5.496 1.00 0.00 N ATOM 1345 CA GLU A 84 2.783 15.585 6.739 1.00 0.00 C ATOM 1346 C GLU A 84 1.904 14.367 6.490 1.00 0.00 C ATOM 1347 O GLU A 84 1.770 13.499 7.354 1.00 0.00 O ATOM 1348 CB GLU A 84 1.974 16.686 7.428 1.00 0.00 C ATOM 1349 CG GLU A 84 2.812 17.835 7.971 1.00 0.00 C ATOM 1350 CD GLU A 84 3.898 17.337 8.883 1.00 0.00 C ATOM 1351 OE1 GLU A 84 3.595 16.593 9.784 1.00 0.00 O ATOM 1352 OE2 GLU A 84 5.044 17.609 8.613 1.00 0.00 O ATOM 0 H GLU A 84 2.987 16.975 5.182 1.00 0.00 H new ATOM 0 HA GLU A 84 3.602 15.286 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.248 17.085 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.408 16.245 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.255 18.388 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.171 18.531 8.512 1.00 0.00 H new ATOM 1359 N GLU A 85 1.305 14.307 5.305 1.00 0.00 N ATOM 1360 CA GLU A 85 0.517 13.149 4.903 1.00 0.00 C ATOM 1361 C GLU A 85 1.390 11.910 4.759 1.00 0.00 C ATOM 1362 O GLU A 85 0.979 10.804 5.113 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.217 13.431 3.589 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.378 14.406 3.714 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.413 13.903 4.682 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -2.845 12.785 4.532 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -2.688 14.590 5.638 1.00 0.00 O ATOM 0 H GLU A 85 1.351 15.048 4.606 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.217 12.958 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.497 13.826 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.591 12.490 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.007 15.376 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.835 14.558 2.736 1.00 0.00 H new ATOM 1374 N LEU A 86 2.597 12.100 4.238 1.00 0.00 N ATOM 1375 CA LEU A 86 3.554 11.009 4.102 1.00 0.00 C ATOM 1376 C LEU A 86 4.154 10.630 5.450 1.00 0.00 C ATOM 1377 O LEU A 86 4.467 9.465 5.696 1.00 0.00 O ATOM 1378 CB LEU A 86 4.663 11.395 3.115 1.00 0.00 C ATOM 1379 CG LEU A 86 4.226 11.492 1.648 1.00 0.00 C ATOM 1380 CD1 LEU A 86 5.404 11.908 0.777 1.00 0.00 C ATOM 1381 CD2 LEU A 86 3.666 10.152 1.194 1.00 0.00 C ATOM 0 H LEU A 86 2.936 13.001 3.902 1.00 0.00 H new ATOM 0 HA LEU A 86 3.022 10.140 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.079 12.356 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.466 10.662 3.191 1.00 0.00 H new ATOM 0 HG LEU A 86 3.447 12.249 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.083 11.974 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.774 12.880 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.200 11.169 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.356 10.222 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.433 9.384 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.807 9.889 1.811 1.00 0.00 H new ATOM 1393 N HIS A 87 4.311 11.622 6.321 1.00 0.00 N ATOM 1394 CA HIS A 87 4.726 11.373 7.696 1.00 0.00 C ATOM 1395 C HIS A 87 3.736 10.467 8.416 1.00 0.00 C ATOM 1396 O HIS A 87 4.128 9.504 9.074 1.00 0.00 O ATOM 1397 CB HIS A 87 4.881 12.693 8.461 1.00 0.00 C ATOM 1398 CG HIS A 87 5.213 12.512 9.910 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.459 12.106 10.342 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.465 12.683 11.024 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.460 12.034 11.662 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.262 12.380 12.099 1.00 0.00 N ATOM 0 H HIS A 87 4.157 12.605 6.098 1.00 0.00 H new ATOM 0 HA HIS A 87 5.691 10.867 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.664 13.287 7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.955 13.262 8.378 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.433 12.999 11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.297 11.742 12.278 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.976 12.416 13.077 1.00 0.00 H new ATOM 1410 N ARG A 88 2.453 10.783 8.289 1.00 0.00 N ATOM 1411 CA ARG A 88 1.400 9.973 8.890 1.00 0.00 C ATOM 1412 C ARG A 88 1.294 8.615 8.208 1.00 0.00 C ATOM 1413 O ARG A 88 0.987 7.610 8.850 1.00 0.00 O ATOM 1414 CB ARG A 88 0.060 10.693 8.909 1.00 0.00 C ATOM 1415 CG ARG A 88 -0.022 11.863 9.876 1.00 0.00 C ATOM 1416 CD ARG A 88 -1.297 12.624 9.809 1.00 0.00 C ATOM 1417 NE ARG A 88 -1.377 13.748 10.729 1.00 0.00 N ATOM 1418 CZ ARG A 88 -2.382 14.644 10.755 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -3.373 14.577 9.895 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -2.333 15.611 11.656 1.00 0.00 N ATOM 0 H ARG A 88 2.116 11.596 7.774 1.00 0.00 H new ATOM 0 HA ARG A 88 1.680 9.804 9.930 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.156 11.055 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.719 9.974 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.112 11.490 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.805 12.544 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.433 12.993 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.123 11.943 10.014 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.619 13.866 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.390 13.838 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.126 15.264 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.549 15.663 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.079 16.305 11.701 1.00 0.00 H new ATOM 1434 N ALA A 89 1.548 8.591 6.904 1.00 0.00 N ATOM 1435 CA ALA A 89 1.570 7.344 6.151 1.00 0.00 C ATOM 1436 C ALA A 89 2.677 6.421 6.644 1.00 0.00 C ATOM 1437 O ALA A 89 2.485 5.210 6.760 1.00 0.00 O ATOM 1438 CB ALA A 89 1.733 7.625 4.664 1.00 0.00 C ATOM 0 H ALA A 89 1.742 9.423 6.347 1.00 0.00 H new ATOM 0 HA ALA A 89 0.618 6.838 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.748 6.683 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.900 8.235 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.669 8.158 4.495 1.00 0.00 H new ATOM 1444 N ALA A 90 3.837 7.001 6.934 1.00 0.00 N ATOM 1445 CA ALA A 90 4.966 6.239 7.454 1.00 0.00 C ATOM 1446 C ALA A 90 4.654 5.661 8.829 1.00 0.00 C ATOM 1447 O ALA A 90 5.092 4.561 9.166 1.00 0.00 O ATOM 1448 CB ALA A 90 6.213 7.109 7.512 1.00 0.00 C ATOM 0 H ALA A 90 4.020 7.998 6.817 1.00 0.00 H new ATOM 0 HA ALA A 90 5.152 5.407 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.046 6.525 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.456 7.464 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.031 7.963 8.165 1.00 0.00 H new ATOM 1454 N ILE A 91 3.895 6.412 9.622 1.00 0.00 N ATOM 1455 CA ILE A 91 3.453 5.941 10.928 1.00 0.00 C ATOM 1456 C ILE A 91 2.513 4.749 10.796 1.00 0.00 C ATOM 1457 O ILE A 91 2.646 3.760 11.516 1.00 0.00 O ATOM 1458 CB ILE A 91 2.744 7.056 11.721 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.740 8.154 12.105 1.00 0.00 C ATOM 1460 CG2 ILE A 91 2.074 6.484 12.960 1.00 0.00 C ATOM 1461 CD1 ILE A 91 3.089 9.410 12.634 1.00 0.00 C ATOM 0 H ILE A 91 3.574 7.350 9.381 1.00 0.00 H new ATOM 0 HA ILE A 91 4.348 5.635 11.470 1.00 0.00 H new ATOM 0 HB ILE A 91 1.974 7.496 11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.423 7.764 12.860 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.341 8.408 11.232 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.578 7.285 13.508 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.337 5.737 12.663 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.825 6.019 13.598 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.858 10.141 12.884 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.428 9.825 11.873 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.511 9.172 13.527 1.00 0.00 H new ATOM 1473 N GLN A 92 1.564 4.851 9.872 1.00 0.00 N ATOM 1474 CA GLN A 92 0.579 3.796 9.668 1.00 0.00 C ATOM 1475 C GLN A 92 1.215 2.561 9.043 1.00 0.00 C ATOM 1476 O GLN A 92 0.833 1.431 9.349 1.00 0.00 O ATOM 1477 CB GLN A 92 -0.564 4.295 8.779 1.00 0.00 C ATOM 1478 CG GLN A 92 -1.472 5.312 9.446 1.00 0.00 C ATOM 1479 CD GLN A 92 -2.517 5.868 8.495 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -2.533 5.534 7.307 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -3.391 6.723 9.012 1.00 0.00 N ATOM 0 H GLN A 92 1.456 5.654 9.252 1.00 0.00 H new ATOM 0 HA GLN A 92 0.181 3.522 10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.141 4.738 7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.163 3.441 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.970 4.847 10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.869 6.131 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.339 6.970 10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.114 7.133 8.421 1.00 0.00 H new ATOM 1490 N LEU A 93 2.187 2.783 8.165 1.00 0.00 N ATOM 1491 CA LEU A 93 2.875 1.688 7.490 1.00 0.00 C ATOM 1492 C LEU A 93 3.953 1.084 8.380 1.00 0.00 C ATOM 1493 O LEU A 93 3.654 0.301 9.239 1.00 0.00 O ATOM 1494 CB LEU A 93 3.483 2.177 6.170 1.00 0.00 C ATOM 1495 CG LEU A 93 2.469 2.600 5.100 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.189 3.245 3.924 1.00 0.00 C ATOM 1497 CD2 LEU A 93 1.673 1.385 4.646 1.00 0.00 C ATOM 0 H LEU A 93 2.517 3.712 7.904 1.00 0.00 H new ATOM 0 HA LEU A 93 2.143 0.910 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.138 3.022 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.109 1.384 5.761 1.00 0.00 H new ATOM 0 HG LEU A 93 1.780 3.333 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.460 3.542 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.733 4.124 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.890 2.531 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.952 1.686 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.351 0.641 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.144 0.957 5.498 1.00 0.00 H new