USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 81 ASN : amide:sc= -0.584 X(o=-3.1,f=-2.6) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.32 X(o=-3.1,f=-2.6) USER MOD Set 1.3: A 92 SER OG : rot -90:sc= -1.17 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.49 K(o=-1.5,f=0) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 52 SER OG : rot -53:sc= 1.45 USER MOD Set 3.2: A 78 TYR OH : rot -2:sc= 2.13 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0843 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0.00935 USER MOD Single : A 10 GLN : amide:sc= -3.03 K(o=-3,f=-7.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 31:sc= -0.833 USER MOD Single : A 27 ASN : amide:sc= -2.95! K(o=-2.9!,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.29! K(o=-2.3!,f=-2.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 54 SER OG : rot 180:sc= -0.406 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.0231 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 150:sc= -0.0574 USER MOD Single : A 70 TYR OH : rot -22:sc= -0.0175 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 174:sc= 1.02 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -24:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.150 24.544 11.102 1.00 0.00 N ATOM 2 CA GLY A 1 8.461 23.969 11.341 1.00 0.00 C ATOM 3 C GLY A 1 9.480 24.398 10.304 1.00 0.00 C ATOM 4 O GLY A 1 9.242 25.334 9.540 1.00 0.00 O ATOM 0 H1 GLY A 1 6.818 25.022 11.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.210 25.233 10.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.482 23.790 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.809 24.264 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.383 22.882 11.341 1.00 0.00 H new ATOM 8 N SER A 2 10.620 23.715 10.279 1.00 0.00 N ATOM 9 CA SER A 2 11.682 24.035 9.332 1.00 0.00 C ATOM 10 C SER A 2 11.104 24.365 7.959 1.00 0.00 C ATOM 11 O SER A 2 10.496 23.515 7.308 1.00 0.00 O ATOM 12 CB SER A 2 12.661 22.865 9.217 1.00 0.00 C ATOM 13 OG SER A 2 13.852 23.260 8.559 1.00 0.00 O ATOM 0 H SER A 2 10.832 22.937 10.903 1.00 0.00 H new ATOM 0 HA SER A 2 12.215 24.911 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.899 22.487 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.193 22.047 8.669 1.00 0.00 H new ATOM 0 HG SER A 2 14.462 22.495 8.500 1.00 0.00 H new ATOM 19 N SER A 3 11.298 25.607 7.525 1.00 0.00 N ATOM 20 CA SER A 3 10.794 26.052 6.231 1.00 0.00 C ATOM 21 C SER A 3 11.932 26.556 5.349 1.00 0.00 C ATOM 22 O SER A 3 12.469 27.640 5.568 1.00 0.00 O ATOM 23 CB SER A 3 9.752 27.157 6.420 1.00 0.00 C ATOM 24 OG SER A 3 9.380 27.723 5.175 1.00 0.00 O ATOM 0 H SER A 3 11.800 26.322 8.051 1.00 0.00 H new ATOM 0 HA SER A 3 10.326 25.200 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.871 26.750 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.154 27.933 7.071 1.00 0.00 H new ATOM 0 HG SER A 3 8.712 28.425 5.321 1.00 0.00 H new ATOM 30 N GLY A 4 12.294 25.758 4.348 1.00 0.00 N ATOM 31 CA GLY A 4 13.366 26.139 3.447 1.00 0.00 C ATOM 32 C GLY A 4 12.903 26.244 2.007 1.00 0.00 C ATOM 33 O GLY A 4 12.914 27.327 1.422 1.00 0.00 O ATOM 0 H GLY A 4 11.864 24.855 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.779 27.097 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.171 25.407 3.514 1.00 0.00 H new ATOM 37 N SER A 5 12.496 25.116 1.434 1.00 0.00 N ATOM 38 CA SER A 5 12.032 25.085 0.052 1.00 0.00 C ATOM 39 C SER A 5 10.515 24.935 -0.009 1.00 0.00 C ATOM 40 O SER A 5 9.881 25.316 -0.993 1.00 0.00 O ATOM 41 CB SER A 5 12.700 23.937 -0.707 1.00 0.00 C ATOM 42 OG SER A 5 12.275 22.680 -0.207 1.00 0.00 O ATOM 0 H SER A 5 12.478 24.212 1.905 1.00 0.00 H new ATOM 0 HA SER A 5 12.305 26.030 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.460 24.010 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.783 24.020 -0.619 1.00 0.00 H new ATOM 0 HG SER A 5 12.715 21.963 -0.709 1.00 0.00 H new ATOM 48 N SER A 6 9.939 24.378 1.051 1.00 0.00 N ATOM 49 CA SER A 6 8.496 24.174 1.118 1.00 0.00 C ATOM 50 C SER A 6 7.991 24.334 2.549 1.00 0.00 C ATOM 51 O SER A 6 8.558 23.774 3.486 1.00 0.00 O ATOM 52 CB SER A 6 8.131 22.786 0.589 1.00 0.00 C ATOM 53 OG SER A 6 8.638 21.768 1.435 1.00 0.00 O ATOM 0 H SER A 6 10.449 24.060 1.875 1.00 0.00 H new ATOM 0 HA SER A 6 8.018 24.930 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.047 22.695 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.531 22.660 -0.417 1.00 0.00 H new ATOM 0 HG SER A 6 8.390 20.891 1.076 1.00 0.00 H new ATOM 59 N GLY A 7 6.918 25.103 2.709 1.00 0.00 N ATOM 60 CA GLY A 7 6.353 25.324 4.027 1.00 0.00 C ATOM 61 C GLY A 7 5.898 24.037 4.686 1.00 0.00 C ATOM 62 O GLY A 7 6.347 23.700 5.781 1.00 0.00 O ATOM 0 H GLY A 7 6.430 25.577 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.095 25.810 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.507 26.006 3.946 1.00 0.00 H new ATOM 66 N GLY A 8 5.003 23.316 4.018 1.00 0.00 N ATOM 67 CA GLY A 8 4.501 22.068 4.562 1.00 0.00 C ATOM 68 C GLY A 8 4.239 21.031 3.488 1.00 0.00 C ATOM 69 O GLY A 8 4.320 21.328 2.295 1.00 0.00 O ATOM 0 H GLY A 8 4.617 23.574 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.221 21.671 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.579 22.259 5.111 1.00 0.00 H new ATOM 73 N CYS A 9 3.926 19.810 3.909 1.00 0.00 N ATOM 74 CA CYS A 9 3.654 18.725 2.974 1.00 0.00 C ATOM 75 C CYS A 9 2.159 18.604 2.701 1.00 0.00 C ATOM 76 O CYS A 9 1.337 19.126 3.455 1.00 0.00 O ATOM 77 CB CYS A 9 4.192 17.403 3.524 1.00 0.00 C ATOM 78 SG CYS A 9 3.393 16.860 5.053 1.00 0.00 S ATOM 0 H CYS A 9 3.854 19.547 4.892 1.00 0.00 H new ATOM 0 HA CYS A 9 4.159 18.953 2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.067 16.629 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.262 17.505 3.702 1.00 0.00 H new ATOM 0 HG CYS A 9 3.914 15.733 5.438 1.00 0.00 H new ATOM 84 N GLN A 10 1.814 17.916 1.618 1.00 0.00 N ATOM 85 CA GLN A 10 0.417 17.730 1.244 1.00 0.00 C ATOM 86 C GLN A 10 0.107 16.255 1.012 1.00 0.00 C ATOM 87 O GLN A 10 0.197 15.745 -0.105 1.00 0.00 O ATOM 88 CB GLN A 10 0.092 18.536 -0.015 1.00 0.00 C ATOM 89 CG GLN A 10 0.297 20.033 0.151 1.00 0.00 C ATOM 90 CD GLN A 10 1.728 20.458 -0.109 1.00 0.00 C ATOM 91 OE1 GLN A 10 2.538 20.552 0.814 1.00 0.00 O ATOM 92 NE2 GLN A 10 2.049 20.718 -1.371 1.00 0.00 N ATOM 0 H GLN A 10 2.482 17.478 0.984 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.203 18.088 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.716 18.181 -0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.944 18.349 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.366 20.565 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.013 20.325 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.347 20.627 -2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.998 21.008 -1.606 1.00 0.00 H new ATOM 101 N PRO A 11 -0.267 15.551 2.092 1.00 0.00 N ATOM 102 CA PRO A 11 -0.597 14.124 2.031 1.00 0.00 C ATOM 103 C PRO A 11 -1.903 13.863 1.288 1.00 0.00 C ATOM 104 O PRO A 11 -2.272 12.714 1.047 1.00 0.00 O ATOM 105 CB PRO A 11 -0.732 13.728 3.503 1.00 0.00 C ATOM 106 CG PRO A 11 -1.091 14.993 4.204 1.00 0.00 C ATOM 107 CD PRO A 11 -0.395 16.094 3.454 1.00 0.00 C ATOM 0 HA PRO A 11 0.158 13.554 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.501 12.968 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.199 13.312 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.170 15.145 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.770 14.967 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.975 17.017 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.578 16.323 3.888 1.00 0.00 H new ATOM 115 N SER A 12 -2.597 14.937 0.925 1.00 0.00 N ATOM 116 CA SER A 12 -3.864 14.823 0.212 1.00 0.00 C ATOM 117 C SER A 12 -3.631 14.663 -1.287 1.00 0.00 C ATOM 118 O SER A 12 -4.406 14.004 -1.980 1.00 0.00 O ATOM 119 CB SER A 12 -4.734 16.053 0.475 1.00 0.00 C ATOM 120 OG SER A 12 -4.359 17.133 -0.363 1.00 0.00 O ATOM 0 H SER A 12 -2.303 15.896 1.113 1.00 0.00 H new ATOM 0 HA SER A 12 -4.380 13.936 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.782 15.804 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.642 16.350 1.520 1.00 0.00 H new ATOM 0 HG SER A 12 -4.932 17.906 -0.176 1.00 0.00 H new ATOM 126 N ARG A 13 -2.557 15.271 -1.781 1.00 0.00 N ATOM 127 CA ARG A 13 -2.221 15.197 -3.198 1.00 0.00 C ATOM 128 C ARG A 13 -1.729 13.801 -3.568 1.00 0.00 C ATOM 129 O ARG A 13 -1.562 13.482 -4.745 1.00 0.00 O ATOM 130 CB ARG A 13 -1.152 16.235 -3.545 1.00 0.00 C ATOM 131 CG ARG A 13 -1.435 17.615 -2.973 1.00 0.00 C ATOM 132 CD ARG A 13 -2.477 18.356 -3.796 1.00 0.00 C ATOM 133 NE ARG A 13 -1.923 18.874 -5.044 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.235 20.008 -5.127 1.00 0.00 C ATOM 135 NH1 ARG A 13 -1.018 20.737 -4.041 1.00 0.00 N ATOM 136 NH2 ARG A 13 -0.762 20.414 -6.298 1.00 0.00 N ATOM 0 H ARG A 13 -1.905 15.820 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.123 15.409 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.187 15.888 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.069 16.310 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.783 17.519 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.512 18.195 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.307 17.685 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.882 19.181 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.072 18.336 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.379 20.428 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.490 21.607 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.926 19.856 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.234 21.285 -6.361 1.00 0.00 H new ATOM 150 N VAL A 14 -1.497 12.973 -2.555 1.00 0.00 N ATOM 151 CA VAL A 14 -1.024 11.611 -2.773 1.00 0.00 C ATOM 152 C VAL A 14 -2.154 10.707 -3.251 1.00 0.00 C ATOM 153 O VAL A 14 -3.316 10.910 -2.898 1.00 0.00 O ATOM 154 CB VAL A 14 -0.413 11.016 -1.490 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.327 9.724 -1.800 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.512 12.023 -0.824 1.00 0.00 C ATOM 0 H VAL A 14 -1.629 13.222 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.254 11.663 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.222 10.786 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.752 9.319 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.367 9.001 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.127 9.925 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.935 11.586 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.317 12.287 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.052 12.919 -0.565 1.00 0.00 H new ATOM 166 N GLN A 15 -1.806 9.709 -4.057 1.00 0.00 N ATOM 167 CA GLN A 15 -2.793 8.773 -4.584 1.00 0.00 C ATOM 168 C GLN A 15 -2.245 7.350 -4.587 1.00 0.00 C ATOM 169 O GLN A 15 -1.086 7.121 -4.931 1.00 0.00 O ATOM 170 CB GLN A 15 -3.205 9.178 -6.000 1.00 0.00 C ATOM 171 CG GLN A 15 -3.763 10.589 -6.092 1.00 0.00 C ATOM 172 CD GLN A 15 -4.091 10.995 -7.515 1.00 0.00 C ATOM 173 OE1 GLN A 15 -5.252 10.981 -7.925 1.00 0.00 O ATOM 174 NE2 GLN A 15 -3.067 11.361 -8.278 1.00 0.00 N ATOM 0 H GLN A 15 -0.849 9.528 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.669 8.804 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.341 9.095 -6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.954 8.476 -6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.663 10.660 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.039 11.290 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.121 11.358 -7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.227 11.645 -9.244 1.00 0.00 H new ATOM 183 N ALA A 16 -3.087 6.396 -4.202 1.00 0.00 N ATOM 184 CA ALA A 16 -2.688 4.995 -4.163 1.00 0.00 C ATOM 185 C ALA A 16 -3.673 4.122 -4.933 1.00 0.00 C ATOM 186 O ALA A 16 -4.873 4.134 -4.658 1.00 0.00 O ATOM 187 CB ALA A 16 -2.573 4.519 -2.722 1.00 0.00 C ATOM 0 H ALA A 16 -4.050 6.568 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.713 4.907 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.274 3.471 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.826 5.116 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.537 4.628 -2.225 1.00 0.00 H new ATOM 193 N GLN A 17 -3.159 3.367 -5.898 1.00 0.00 N ATOM 194 CA GLN A 17 -3.995 2.489 -6.708 1.00 0.00 C ATOM 195 C GLN A 17 -3.228 1.238 -7.123 1.00 0.00 C ATOM 196 O GLN A 17 -2.000 1.201 -7.061 1.00 0.00 O ATOM 197 CB GLN A 17 -4.496 3.230 -7.949 1.00 0.00 C ATOM 198 CG GLN A 17 -3.382 3.666 -8.888 1.00 0.00 C ATOM 199 CD GLN A 17 -3.890 4.501 -10.047 1.00 0.00 C ATOM 200 OE1 GLN A 17 -5.082 4.494 -10.358 1.00 0.00 O ATOM 201 NE2 GLN A 17 -2.987 5.227 -10.695 1.00 0.00 N ATOM 0 H GLN A 17 -2.168 3.346 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.851 2.185 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.187 2.586 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.060 4.108 -7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.643 4.240 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.873 2.784 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.010 5.204 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.271 5.808 -11.484 1.00 0.00 H new ATOM 210 N GLY A 18 -3.961 0.213 -7.547 1.00 0.00 N ATOM 211 CA GLY A 18 -3.333 -1.026 -7.966 1.00 0.00 C ATOM 212 C GLY A 18 -3.975 -2.245 -7.332 1.00 0.00 C ATOM 213 O GLY A 18 -4.967 -2.145 -6.609 1.00 0.00 O ATOM 0 H GLY A 18 -4.979 0.219 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.392 -1.111 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.275 -1.000 -7.706 1.00 0.00 H new ATOM 217 N PRO A 19 -3.405 -3.428 -7.605 1.00 0.00 N ATOM 218 CA PRO A 19 -3.913 -4.694 -7.067 1.00 0.00 C ATOM 219 C PRO A 19 -3.683 -4.819 -5.565 1.00 0.00 C ATOM 220 O PRO A 19 -4.555 -5.280 -4.830 1.00 0.00 O ATOM 221 CB PRO A 19 -3.102 -5.750 -7.822 1.00 0.00 C ATOM 222 CG PRO A 19 -1.843 -5.055 -8.211 1.00 0.00 C ATOM 223 CD PRO A 19 -2.221 -3.621 -8.459 1.00 0.00 C ATOM 0 HA PRO A 19 -4.991 -4.790 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.898 -6.616 -7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.641 -6.112 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.096 -5.131 -7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.409 -5.504 -9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.414 -2.940 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.450 -3.442 -9.510 1.00 0.00 H new ATOM 231 N GLY A 20 -2.503 -4.404 -5.114 1.00 0.00 N ATOM 232 CA GLY A 20 -2.180 -4.478 -3.701 1.00 0.00 C ATOM 233 C GLY A 20 -3.200 -3.764 -2.836 1.00 0.00 C ATOM 234 O GLY A 20 -3.214 -3.929 -1.616 1.00 0.00 O ATOM 0 H GLY A 20 -1.765 -4.018 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.120 -5.524 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.196 -4.041 -3.533 1.00 0.00 H new ATOM 238 N LEU A 21 -4.054 -2.966 -3.467 1.00 0.00 N ATOM 239 CA LEU A 21 -5.081 -2.222 -2.747 1.00 0.00 C ATOM 240 C LEU A 21 -6.472 -2.753 -3.079 1.00 0.00 C ATOM 241 O LEU A 21 -7.386 -2.686 -2.257 1.00 0.00 O ATOM 242 CB LEU A 21 -4.995 -0.734 -3.089 1.00 0.00 C ATOM 243 CG LEU A 21 -3.609 -0.098 -2.979 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.638 1.337 -3.481 1.00 0.00 C ATOM 245 CD2 LEU A 21 -3.109 -0.154 -1.543 1.00 0.00 C ATOM 0 H LEU A 21 -4.056 -2.818 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.908 -2.353 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.357 -0.595 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.675 -0.191 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.920 -0.665 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.643 1.773 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.951 1.351 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.341 1.917 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.121 0.303 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.799 0.388 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.048 -1.193 -1.219 1.00 0.00 H new ATOM 257 N LYS A 22 -6.625 -3.281 -4.288 1.00 0.00 N ATOM 258 CA LYS A 22 -7.903 -3.827 -4.729 1.00 0.00 C ATOM 259 C LYS A 22 -8.106 -5.240 -4.191 1.00 0.00 C ATOM 260 O LYS A 22 -9.141 -5.545 -3.600 1.00 0.00 O ATOM 261 CB LYS A 22 -7.976 -3.838 -6.258 1.00 0.00 C ATOM 262 CG LYS A 22 -8.331 -2.489 -6.859 1.00 0.00 C ATOM 263 CD LYS A 22 -8.460 -2.568 -8.371 1.00 0.00 C ATOM 264 CE LYS A 22 -9.744 -3.270 -8.785 1.00 0.00 C ATOM 265 NZ LYS A 22 -9.824 -3.456 -10.260 1.00 0.00 N ATOM 0 H LYS A 22 -5.879 -3.343 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.696 -3.190 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.015 -4.163 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.717 -4.573 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.269 -2.135 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.565 -1.760 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.442 -1.563 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.603 -3.101 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.802 -4.241 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.601 -2.689 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.713 -3.938 -10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.794 -2.528 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.020 -4.032 -10.581 1.00 0.00 H new ATOM 279 N GLU A 23 -7.110 -6.096 -4.398 1.00 0.00 N ATOM 280 CA GLU A 23 -7.181 -7.476 -3.932 1.00 0.00 C ATOM 281 C GLU A 23 -5.786 -8.085 -3.820 1.00 0.00 C ATOM 282 O GLU A 23 -4.876 -7.720 -4.564 1.00 0.00 O ATOM 283 CB GLU A 23 -8.040 -8.315 -4.881 1.00 0.00 C ATOM 284 CG GLU A 23 -7.640 -9.780 -4.930 1.00 0.00 C ATOM 285 CD GLU A 23 -8.648 -10.635 -5.673 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.918 -10.342 -6.856 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.166 -11.599 -5.071 1.00 0.00 O ATOM 0 H GLU A 23 -6.246 -5.859 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.639 -7.475 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.083 -8.242 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.973 -7.895 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.667 -9.871 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.529 -10.157 -3.913 1.00 0.00 H new ATOM 294 N ALA A 24 -5.626 -9.014 -2.883 1.00 0.00 N ATOM 295 CA ALA A 24 -4.344 -9.675 -2.673 1.00 0.00 C ATOM 296 C ALA A 24 -4.535 -11.150 -2.336 1.00 0.00 C ATOM 297 O ALA A 24 -5.662 -11.623 -2.194 1.00 0.00 O ATOM 298 CB ALA A 24 -3.564 -8.976 -1.569 1.00 0.00 C ATOM 0 H ALA A 24 -6.369 -9.326 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.775 -9.612 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.609 -9.480 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.387 -7.938 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.137 -9.008 -0.642 1.00 0.00 H new ATOM 304 N PHE A 25 -3.426 -11.871 -2.211 1.00 0.00 N ATOM 305 CA PHE A 25 -3.471 -13.294 -1.892 1.00 0.00 C ATOM 306 C PHE A 25 -2.408 -13.654 -0.859 1.00 0.00 C ATOM 307 O PHE A 25 -1.528 -12.850 -0.550 1.00 0.00 O ATOM 308 CB PHE A 25 -3.271 -14.128 -3.159 1.00 0.00 C ATOM 309 CG PHE A 25 -4.549 -14.421 -3.892 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.075 -13.505 -4.788 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.223 -15.614 -3.686 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.251 -13.772 -5.463 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.400 -15.887 -4.358 1.00 0.00 C ATOM 314 CZ PHE A 25 -6.914 -14.965 -5.249 1.00 0.00 C ATOM 0 H PHE A 25 -2.485 -11.494 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.451 -13.516 -1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.591 -13.601 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.790 -15.069 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.560 -12.571 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.824 -16.339 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.652 -13.048 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.917 -16.820 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.832 -15.176 -5.777 1.00 0.00 H new ATOM 324 N THR A 26 -2.496 -14.869 -0.327 1.00 0.00 N ATOM 325 CA THR A 26 -1.544 -15.336 0.673 1.00 0.00 C ATOM 326 C THR A 26 -0.247 -15.800 0.022 1.00 0.00 C ATOM 327 O THR A 26 -0.262 -16.597 -0.915 1.00 0.00 O ATOM 328 CB THR A 26 -2.128 -16.492 1.508 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.534 -17.561 0.647 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.316 -16.018 2.331 1.00 0.00 C ATOM 0 H THR A 26 -3.217 -15.548 -0.572 1.00 0.00 H new ATOM 0 HA THR A 26 -1.336 -14.492 1.330 1.00 0.00 H new ATOM 0 HB THR A 26 -1.354 -16.848 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.960 -17.577 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.712 -16.851 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.997 -15.224 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.092 -15.639 1.666 1.00 0.00 H new ATOM 338 N ASN A 27 0.876 -15.296 0.525 1.00 0.00 N ATOM 339 CA ASN A 27 2.183 -15.659 -0.008 1.00 0.00 C ATOM 340 C ASN A 27 2.296 -15.276 -1.480 1.00 0.00 C ATOM 341 O ASN A 27 2.936 -15.973 -2.268 1.00 0.00 O ATOM 342 CB ASN A 27 2.426 -17.161 0.160 1.00 0.00 C ATOM 343 CG ASN A 27 2.474 -17.580 1.616 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.463 -18.149 2.078 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.402 -17.298 2.348 1.00 0.00 N ATOM 0 H ASN A 27 0.906 -14.635 1.301 1.00 0.00 H new ATOM 0 HA ASN A 27 2.941 -15.110 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.635 -17.713 -0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.365 -17.431 -0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.376 -17.555 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.604 -16.825 1.923 1.00 0.00 H new ATOM 352 N LYS A 28 1.670 -14.162 -1.846 1.00 0.00 N ATOM 353 CA LYS A 28 1.700 -13.683 -3.223 1.00 0.00 C ATOM 354 C LYS A 28 2.199 -12.243 -3.287 1.00 0.00 C ATOM 355 O LYS A 28 1.924 -11.426 -2.408 1.00 0.00 O ATOM 356 CB LYS A 28 0.307 -13.780 -3.849 1.00 0.00 C ATOM 357 CG LYS A 28 -0.060 -15.182 -4.303 1.00 0.00 C ATOM 358 CD LYS A 28 -1.050 -15.154 -5.454 1.00 0.00 C ATOM 359 CE LYS A 28 -0.879 -16.359 -6.367 1.00 0.00 C ATOM 360 NZ LYS A 28 0.276 -16.193 -7.293 1.00 0.00 N ATOM 0 H LYS A 28 1.135 -13.574 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 28 2.389 -14.313 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.432 -13.437 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.254 -13.105 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.841 -15.714 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.488 -15.736 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.066 -15.136 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.915 -14.238 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.735 -17.255 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.790 -16.508 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.359 -17.035 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.127 -15.353 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.150 -16.076 -6.741 1.00 0.00 H new ATOM 374 N PRO A 29 2.949 -11.923 -4.352 1.00 0.00 N ATOM 375 CA PRO A 29 3.500 -10.580 -4.557 1.00 0.00 C ATOM 376 C PRO A 29 2.421 -9.554 -4.885 1.00 0.00 C ATOM 377 O PRO A 29 1.846 -9.571 -5.973 1.00 0.00 O ATOM 378 CB PRO A 29 4.445 -10.762 -5.747 1.00 0.00 C ATOM 379 CG PRO A 29 3.905 -11.939 -6.483 1.00 0.00 C ATOM 380 CD PRO A 29 3.317 -12.847 -5.438 1.00 0.00 C ATOM 0 HA PRO A 29 3.990 -10.200 -3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.462 -9.874 -6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.469 -10.937 -5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.148 -11.634 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.693 -12.445 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.450 -13.387 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.037 -13.594 -5.104 1.00 0.00 H new ATOM 388 N ASN A 30 2.150 -8.662 -3.938 1.00 0.00 N ATOM 389 CA ASN A 30 1.139 -7.629 -4.128 1.00 0.00 C ATOM 390 C ASN A 30 1.772 -6.240 -4.119 1.00 0.00 C ATOM 391 O ASN A 30 2.375 -5.827 -3.129 1.00 0.00 O ATOM 392 CB ASN A 30 0.073 -7.722 -3.035 1.00 0.00 C ATOM 393 CG ASN A 30 -0.214 -9.155 -2.628 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.015 -9.843 -3.261 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.440 -9.610 -1.566 1.00 0.00 N ATOM 0 H ASN A 30 2.617 -8.634 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 30 0.670 -7.789 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.401 -7.158 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.847 -7.256 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.288 -10.566 -1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.095 -9.004 -1.072 1.00 0.00 H new ATOM 402 N VAL A 31 1.629 -5.524 -5.230 1.00 0.00 N ATOM 403 CA VAL A 31 2.185 -4.182 -5.351 1.00 0.00 C ATOM 404 C VAL A 31 1.113 -3.178 -5.759 1.00 0.00 C ATOM 405 O VAL A 31 0.016 -3.557 -6.170 1.00 0.00 O ATOM 406 CB VAL A 31 3.331 -4.139 -6.378 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.362 -5.215 -6.074 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.787 -4.295 -7.790 1.00 0.00 C ATOM 0 H VAL A 31 1.133 -5.851 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 31 2.577 -3.912 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 31 3.822 -3.169 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.164 -5.169 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.774 -5.053 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.888 -6.195 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.611 -4.262 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.269 -5.250 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.090 -3.484 -8.003 1.00 0.00 H new ATOM 418 N PHE A 32 1.437 -1.894 -5.645 1.00 0.00 N ATOM 419 CA PHE A 32 0.502 -0.834 -6.002 1.00 0.00 C ATOM 420 C PHE A 32 1.246 0.427 -6.431 1.00 0.00 C ATOM 421 O PHE A 32 2.373 0.674 -6.000 1.00 0.00 O ATOM 422 CB PHE A 32 -0.420 -0.519 -4.823 1.00 0.00 C ATOM 423 CG PHE A 32 0.297 -0.444 -3.505 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.693 -1.599 -2.850 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.575 0.781 -2.922 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.352 -1.533 -1.637 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.235 0.854 -1.709 1.00 0.00 C ATOM 428 CZ PHE A 32 1.624 -0.305 -1.066 1.00 0.00 C ATOM 0 H PHE A 32 2.341 -1.563 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.099 -1.183 -6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.923 0.430 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.195 -1.284 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.484 -2.562 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.273 1.690 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.654 -2.441 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.446 1.816 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.140 -0.251 -0.119 1.00 0.00 H new ATOM 438 N THR A 33 0.609 1.222 -7.284 1.00 0.00 N ATOM 439 CA THR A 33 1.210 2.457 -7.774 1.00 0.00 C ATOM 440 C THR A 33 0.895 3.626 -6.848 1.00 0.00 C ATOM 441 O THR A 33 -0.265 3.879 -6.523 1.00 0.00 O ATOM 442 CB THR A 33 0.720 2.795 -9.194 1.00 0.00 C ATOM 443 OG1 THR A 33 1.029 1.720 -10.088 1.00 0.00 O ATOM 444 CG2 THR A 33 1.363 4.079 -9.697 1.00 0.00 C ATOM 0 H THR A 33 -0.324 1.033 -7.651 1.00 0.00 H new ATOM 0 HA THR A 33 2.288 2.296 -7.798 1.00 0.00 H new ATOM 0 HB THR A 33 -0.360 2.938 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.713 1.942 -10.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.002 4.297 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.102 4.902 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.446 3.959 -9.719 1.00 0.00 H new ATOM 452 N VAL A 34 1.936 4.337 -6.426 1.00 0.00 N ATOM 453 CA VAL A 34 1.770 5.482 -5.538 1.00 0.00 C ATOM 454 C VAL A 34 2.290 6.760 -6.186 1.00 0.00 C ATOM 455 O VAL A 34 3.499 6.954 -6.320 1.00 0.00 O ATOM 456 CB VAL A 34 2.500 5.264 -4.199 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.384 6.500 -3.320 1.00 0.00 C ATOM 458 CG2 VAL A 34 1.950 4.039 -3.486 1.00 0.00 C ATOM 0 H VAL A 34 2.903 4.140 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 34 0.701 5.583 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 34 3.556 5.092 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.906 6.327 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.830 7.353 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.333 6.707 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.477 3.900 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.887 4.178 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.091 3.159 -4.113 1.00 0.00 H new ATOM 468 N VAL A 35 1.370 7.631 -6.587 1.00 0.00 N ATOM 469 CA VAL A 35 1.735 8.892 -7.221 1.00 0.00 C ATOM 470 C VAL A 35 1.888 10.002 -6.187 1.00 0.00 C ATOM 471 O VAL A 35 0.922 10.390 -5.528 1.00 0.00 O ATOM 472 CB VAL A 35 0.687 9.320 -8.265 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.057 10.664 -8.874 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.547 8.257 -9.345 1.00 0.00 C ATOM 0 H VAL A 35 0.366 7.486 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 35 2.690 8.730 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.276 9.428 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.305 10.950 -9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.102 11.419 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.029 10.588 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.198 8.575 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.506 8.116 -9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.232 7.317 -8.892 1.00 0.00 H new ATOM 484 N THR A 36 3.108 10.511 -6.049 1.00 0.00 N ATOM 485 CA THR A 36 3.389 11.576 -5.095 1.00 0.00 C ATOM 486 C THR A 36 3.944 12.811 -5.796 1.00 0.00 C ATOM 487 O THR A 36 4.824 13.492 -5.270 1.00 0.00 O ATOM 488 CB THR A 36 4.392 11.117 -4.019 1.00 0.00 C ATOM 489 OG1 THR A 36 5.644 10.782 -4.627 1.00 0.00 O ATOM 490 CG2 THR A 36 3.855 9.915 -3.256 1.00 0.00 C ATOM 0 H THR A 36 3.918 10.202 -6.587 1.00 0.00 H new ATOM 0 HA THR A 36 2.443 11.828 -4.616 1.00 0.00 H new ATOM 0 HB THR A 36 4.538 11.938 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.276 10.493 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.580 9.609 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.917 10.182 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.683 9.091 -3.949 1.00 0.00 H new ATOM 498 N ARG A 37 3.423 13.093 -6.986 1.00 0.00 N ATOM 499 CA ARG A 37 3.867 14.246 -7.759 1.00 0.00 C ATOM 500 C ARG A 37 3.137 15.511 -7.318 1.00 0.00 C ATOM 501 O ARG A 37 2.094 15.862 -7.868 1.00 0.00 O ATOM 502 CB ARG A 37 3.636 14.006 -9.252 1.00 0.00 C ATOM 503 CG ARG A 37 4.802 13.323 -9.947 1.00 0.00 C ATOM 504 CD ARG A 37 6.015 14.237 -10.029 1.00 0.00 C ATOM 505 NE ARG A 37 6.819 14.190 -8.811 1.00 0.00 N ATOM 506 CZ ARG A 37 7.844 15.000 -8.575 1.00 0.00 C ATOM 507 NH1 ARG A 37 8.189 15.916 -9.470 1.00 0.00 N ATOM 508 NH2 ARG A 37 8.528 14.896 -7.443 1.00 0.00 N ATOM 0 H ARG A 37 2.694 12.539 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 37 4.934 14.382 -7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.741 13.397 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.443 14.962 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.066 12.413 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.503 13.023 -10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.630 13.947 -10.881 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.686 15.261 -10.207 1.00 0.00 H new ATOM 0 HE ARG A 37 6.580 13.496 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.666 15.999 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.977 16.537 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.267 14.193 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.315 15.519 -7.264 1.00 0.00 H new ATOM 522 N GLY A 38 3.693 16.192 -6.320 1.00 0.00 N ATOM 523 CA GLY A 38 3.081 17.410 -5.822 1.00 0.00 C ATOM 524 C GLY A 38 2.939 17.411 -4.312 1.00 0.00 C ATOM 525 O GLY A 38 3.134 18.439 -3.665 1.00 0.00 O ATOM 0 H GLY A 38 4.556 15.922 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.682 18.266 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.098 17.531 -6.277 1.00 0.00 H new ATOM 529 N ALA A 39 2.596 16.256 -3.751 1.00 0.00 N ATOM 530 CA ALA A 39 2.428 16.128 -2.309 1.00 0.00 C ATOM 531 C ALA A 39 3.471 16.951 -1.559 1.00 0.00 C ATOM 532 O ALA A 39 3.132 17.805 -0.742 1.00 0.00 O ATOM 533 CB ALA A 39 2.510 14.666 -1.895 1.00 0.00 C ATOM 0 H ALA A 39 2.429 15.396 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 39 1.442 16.513 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.383 14.586 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.724 14.101 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.482 14.262 -2.177 1.00 0.00 H new ATOM 539 N GLY A 40 4.743 16.687 -1.844 1.00 0.00 N ATOM 540 CA GLY A 40 5.816 17.410 -1.188 1.00 0.00 C ATOM 541 C GLY A 40 7.124 16.645 -1.199 1.00 0.00 C ATOM 542 O GLY A 40 7.340 15.785 -2.055 1.00 0.00 O ATOM 0 H GLY A 40 5.049 15.985 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.957 18.371 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.531 17.620 -0.157 1.00 0.00 H new ATOM 546 N ILE A 41 7.999 16.957 -0.249 1.00 0.00 N ATOM 547 CA ILE A 41 9.292 16.291 -0.154 1.00 0.00 C ATOM 548 C ILE A 41 9.599 15.889 1.284 1.00 0.00 C ATOM 549 O ILE A 41 10.142 16.676 2.058 1.00 0.00 O ATOM 550 CB ILE A 41 10.427 17.191 -0.677 1.00 0.00 C ATOM 551 CG1 ILE A 41 10.113 17.675 -2.094 1.00 0.00 C ATOM 552 CG2 ILE A 41 11.752 16.443 -0.648 1.00 0.00 C ATOM 553 CD1 ILE A 41 10.878 18.917 -2.493 1.00 0.00 C ATOM 0 H ILE A 41 7.836 17.666 0.466 1.00 0.00 H new ATOM 0 HA ILE A 41 9.233 15.396 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 41 10.509 18.062 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.340 16.876 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.044 17.876 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.544 17.092 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.979 16.144 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.683 15.556 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.605 19.202 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.633 19.730 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.948 18.715 -2.448 1.00 0.00 H new ATOM 565 N GLY A 42 9.249 14.655 1.635 1.00 0.00 N ATOM 566 CA GLY A 42 9.496 14.168 2.980 1.00 0.00 C ATOM 567 C GLY A 42 9.793 12.682 3.012 1.00 0.00 C ATOM 568 O GLY A 42 10.360 12.134 2.068 1.00 0.00 O ATOM 0 H GLY A 42 8.799 13.984 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.335 14.713 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.627 14.375 3.604 1.00 0.00 H new ATOM 572 N GLY A 43 9.410 12.027 4.105 1.00 0.00 N ATOM 573 CA GLY A 43 9.649 10.602 4.237 1.00 0.00 C ATOM 574 C GLY A 43 8.363 9.802 4.295 1.00 0.00 C ATOM 575 O GLY A 43 7.573 9.948 5.228 1.00 0.00 O ATOM 0 H GLY A 43 8.939 12.458 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.250 10.258 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.230 10.416 5.140 1.00 0.00 H new ATOM 579 N LEU A 44 8.151 8.954 3.294 1.00 0.00 N ATOM 580 CA LEU A 44 6.950 8.127 3.234 1.00 0.00 C ATOM 581 C LEU A 44 7.123 6.853 4.055 1.00 0.00 C ATOM 582 O LEU A 44 8.230 6.330 4.181 1.00 0.00 O ATOM 583 CB LEU A 44 6.624 7.772 1.782 1.00 0.00 C ATOM 584 CG LEU A 44 5.369 6.926 1.564 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.118 7.773 1.732 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.396 6.279 0.187 1.00 0.00 C ATOM 0 H LEU A 44 8.794 8.821 2.514 1.00 0.00 H new ATOM 0 HA LEU A 44 6.124 8.699 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.516 8.698 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.475 7.239 1.359 1.00 0.00 H new ATOM 0 HG LEU A 44 5.351 6.136 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.235 7.154 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.093 8.189 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.128 8.584 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.496 5.681 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.438 7.054 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.274 5.638 0.103 1.00 0.00 H new ATOM 598 N GLY A 45 6.021 6.358 4.610 1.00 0.00 N ATOM 599 CA GLY A 45 6.073 5.148 5.409 1.00 0.00 C ATOM 600 C GLY A 45 4.877 4.247 5.175 1.00 0.00 C ATOM 601 O GLY A 45 3.801 4.476 5.729 1.00 0.00 O ATOM 0 H GLY A 45 5.094 6.773 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.987 4.601 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.122 5.415 6.465 1.00 0.00 H new ATOM 605 N ILE A 46 5.063 3.221 4.351 1.00 0.00 N ATOM 606 CA ILE A 46 3.991 2.283 4.045 1.00 0.00 C ATOM 607 C ILE A 46 4.124 1.007 4.869 1.00 0.00 C ATOM 608 O ILE A 46 5.171 0.358 4.865 1.00 0.00 O ATOM 609 CB ILE A 46 3.974 1.916 2.549 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.917 3.182 1.692 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.794 1.007 2.240 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.376 2.967 0.267 1.00 0.00 C ATOM 0 H ILE A 46 5.947 3.019 3.883 1.00 0.00 H new ATOM 0 HA ILE A 46 3.055 2.780 4.299 1.00 0.00 H new ATOM 0 HB ILE A 46 4.893 1.380 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.894 3.559 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.537 3.951 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.796 0.757 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.875 0.093 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.865 1.519 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.309 3.906 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.409 2.619 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.741 2.221 -0.211 1.00 0.00 H new ATOM 624 N THR A 47 3.055 0.649 5.574 1.00 0.00 N ATOM 625 CA THR A 47 3.052 -0.550 6.402 1.00 0.00 C ATOM 626 C THR A 47 1.763 -1.342 6.217 1.00 0.00 C ATOM 627 O THR A 47 0.739 -0.795 5.808 1.00 0.00 O ATOM 628 CB THR A 47 3.218 -0.203 7.894 1.00 0.00 C ATOM 629 OG1 THR A 47 2.351 0.881 8.244 1.00 0.00 O ATOM 630 CG2 THR A 47 4.659 0.174 8.204 1.00 0.00 C ATOM 0 H THR A 47 2.180 1.173 5.588 1.00 0.00 H new ATOM 0 HA THR A 47 3.898 -1.158 6.082 1.00 0.00 H new ATOM 0 HB THR A 47 2.954 -1.083 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.461 1.094 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.752 0.415 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.314 -0.663 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.945 1.041 7.608 1.00 0.00 H new ATOM 638 N VAL A 48 1.819 -2.635 6.522 1.00 0.00 N ATOM 639 CA VAL A 48 0.655 -3.503 6.391 1.00 0.00 C ATOM 640 C VAL A 48 0.343 -4.205 7.708 1.00 0.00 C ATOM 641 O VAL A 48 1.226 -4.788 8.336 1.00 0.00 O ATOM 642 CB VAL A 48 0.866 -4.563 5.294 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.213 -5.632 5.370 1.00 0.00 C ATOM 644 CG2 VAL A 48 0.885 -3.910 3.920 1.00 0.00 C ATOM 0 H VAL A 48 2.659 -3.104 6.862 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.185 -2.867 6.114 1.00 0.00 H new ATOM 0 HB VAL A 48 1.831 -5.043 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.048 -6.372 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.174 -6.119 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.191 -5.172 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.035 -4.673 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.064 -3.403 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.698 -3.185 3.873 1.00 0.00 H new ATOM 654 N GLU A 49 -0.920 -4.146 8.119 1.00 0.00 N ATOM 655 CA GLU A 49 -1.349 -4.777 9.362 1.00 0.00 C ATOM 656 C GLU A 49 -2.444 -5.807 9.100 1.00 0.00 C ATOM 657 O GLU A 49 -3.361 -5.567 8.316 1.00 0.00 O ATOM 658 CB GLU A 49 -1.851 -3.721 10.349 1.00 0.00 C ATOM 659 CG GLU A 49 -0.751 -3.112 11.201 1.00 0.00 C ATOM 660 CD GLU A 49 -1.263 -2.021 12.122 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.285 -1.389 11.783 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.640 -1.800 13.182 1.00 0.00 O ATOM 0 H GLU A 49 -1.663 -3.668 7.610 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.490 -5.289 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.351 -2.927 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.597 -4.173 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.282 -3.895 11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.021 -2.701 10.551 1.00 0.00 H new ATOM 669 N GLY A 50 -2.340 -6.955 9.762 1.00 0.00 N ATOM 670 CA GLY A 50 -3.326 -8.004 9.587 1.00 0.00 C ATOM 671 C GLY A 50 -3.100 -9.175 10.523 1.00 0.00 C ATOM 672 O GLY A 50 -2.370 -9.077 11.510 1.00 0.00 O ATOM 0 H GLY A 50 -1.590 -7.177 10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.322 -7.594 9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.298 -8.356 8.556 1.00 0.00 H new ATOM 676 N PRO A 51 -3.736 -10.315 10.216 1.00 0.00 N ATOM 677 CA PRO A 51 -3.616 -11.532 11.025 1.00 0.00 C ATOM 678 C PRO A 51 -2.232 -12.162 10.922 1.00 0.00 C ATOM 679 O PRO A 51 -1.976 -13.219 11.500 1.00 0.00 O ATOM 680 CB PRO A 51 -4.674 -12.462 10.425 1.00 0.00 C ATOM 681 CG PRO A 51 -4.840 -11.992 9.021 1.00 0.00 C ATOM 682 CD PRO A 51 -4.621 -10.505 9.054 1.00 0.00 C ATOM 0 HA PRO A 51 -3.758 -11.332 12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.351 -13.503 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.612 -12.402 10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.123 -12.478 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.834 -12.232 8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.159 -10.147 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.560 -9.963 9.171 1.00 0.00 H new ATOM 690 N SER A 52 -1.342 -11.507 10.184 1.00 0.00 N ATOM 691 CA SER A 52 0.017 -12.006 10.003 1.00 0.00 C ATOM 692 C SER A 52 0.928 -10.913 9.454 1.00 0.00 C ATOM 693 O SER A 52 0.484 -10.029 8.723 1.00 0.00 O ATOM 694 CB SER A 52 0.019 -13.210 9.059 1.00 0.00 C ATOM 695 OG SER A 52 -0.035 -12.796 7.705 1.00 0.00 O ATOM 0 H SER A 52 -1.537 -10.630 9.702 1.00 0.00 H new ATOM 0 HA SER A 52 0.397 -12.316 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.917 -13.805 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.834 -13.851 9.281 1.00 0.00 H new ATOM 0 HG SER A 52 -0.792 -12.186 7.579 1.00 0.00 H new ATOM 701 N GLU A 53 2.206 -10.981 9.814 1.00 0.00 N ATOM 702 CA GLU A 53 3.181 -9.997 9.358 1.00 0.00 C ATOM 703 C GLU A 53 3.552 -10.235 7.897 1.00 0.00 C ATOM 704 O GLU A 53 4.039 -11.306 7.535 1.00 0.00 O ATOM 705 CB GLU A 53 4.437 -10.049 10.229 1.00 0.00 C ATOM 706 CG GLU A 53 5.430 -8.937 9.933 1.00 0.00 C ATOM 707 CD GLU A 53 6.609 -8.939 10.886 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.418 -8.581 12.067 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.724 -9.298 10.451 1.00 0.00 O ATOM 0 H GLU A 53 2.590 -11.706 10.419 1.00 0.00 H new ATOM 0 HA GLU A 53 2.729 -9.009 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.144 -9.994 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.929 -11.011 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.794 -9.042 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.921 -7.975 9.993 1.00 0.00 H new ATOM 716 N SER A 54 3.317 -9.228 7.061 1.00 0.00 N ATOM 717 CA SER A 54 3.622 -9.328 5.639 1.00 0.00 C ATOM 718 C SER A 54 5.004 -8.755 5.337 1.00 0.00 C ATOM 719 O SER A 54 5.406 -7.740 5.907 1.00 0.00 O ATOM 720 CB SER A 54 2.562 -8.595 4.815 1.00 0.00 C ATOM 721 OG SER A 54 1.260 -9.047 5.141 1.00 0.00 O ATOM 0 H SER A 54 2.916 -8.334 7.344 1.00 0.00 H new ATOM 0 HA SER A 54 3.618 -10.383 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.634 -7.523 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.750 -8.752 3.753 1.00 0.00 H new ATOM 0 HG SER A 54 0.601 -8.562 4.602 1.00 0.00 H new ATOM 727 N LYS A 55 5.727 -9.412 4.437 1.00 0.00 N ATOM 728 CA LYS A 55 7.063 -8.970 4.057 1.00 0.00 C ATOM 729 C LYS A 55 6.991 -7.817 3.060 1.00 0.00 C ATOM 730 O LYS A 55 6.813 -8.032 1.861 1.00 0.00 O ATOM 731 CB LYS A 55 7.855 -10.131 3.454 1.00 0.00 C ATOM 732 CG LYS A 55 8.526 -11.014 4.492 1.00 0.00 C ATOM 733 CD LYS A 55 9.060 -12.295 3.873 1.00 0.00 C ATOM 734 CE LYS A 55 10.343 -12.047 3.096 1.00 0.00 C ATOM 735 NZ LYS A 55 11.525 -11.939 3.996 1.00 0.00 N ATOM 0 H LYS A 55 5.409 -10.254 3.956 1.00 0.00 H new ATOM 0 HA LYS A 55 7.572 -8.620 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.185 -10.741 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.615 -9.731 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.344 -10.468 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.812 -11.259 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.245 -13.029 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.308 -12.720 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.500 -12.859 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.244 -11.130 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.380 -11.770 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.387 -11.148 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.635 -12.823 4.532 1.00 0.00 H new ATOM 749 N ILE A 56 7.132 -6.596 3.563 1.00 0.00 N ATOM 750 CA ILE A 56 7.086 -5.411 2.716 1.00 0.00 C ATOM 751 C ILE A 56 8.476 -5.044 2.208 1.00 0.00 C ATOM 752 O ILE A 56 9.478 -5.285 2.880 1.00 0.00 O ATOM 753 CB ILE A 56 6.491 -4.205 3.466 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.982 -4.380 3.643 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.797 -2.914 2.721 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.377 -3.430 4.652 1.00 0.00 C ATOM 0 H ILE A 56 7.279 -6.401 4.553 1.00 0.00 H new ATOM 0 HA ILE A 56 6.444 -5.654 1.869 1.00 0.00 H new ATOM 0 HB ILE A 56 6.949 -4.149 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.492 -4.234 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.777 -5.405 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.370 -2.071 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.877 -2.786 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.364 -2.959 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.305 -3.611 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.840 -3.591 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.550 -2.402 4.333 1.00 0.00 H new ATOM 768 N ASN A 57 8.529 -4.458 1.016 1.00 0.00 N ATOM 769 CA ASN A 57 9.797 -4.056 0.417 1.00 0.00 C ATOM 770 C ASN A 57 9.617 -2.821 -0.460 1.00 0.00 C ATOM 771 O ASN A 57 8.971 -2.880 -1.508 1.00 0.00 O ATOM 772 CB ASN A 57 10.380 -5.202 -0.410 1.00 0.00 C ATOM 773 CG ASN A 57 11.011 -6.277 0.454 1.00 0.00 C ATOM 774 OD1 ASN A 57 12.020 -6.042 1.119 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.417 -7.465 0.448 1.00 0.00 N ATOM 0 H ASN A 57 7.709 -4.251 0.446 1.00 0.00 H new ATOM 0 HA ASN A 57 10.489 -3.810 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.591 -5.645 -1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.128 -4.806 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.796 -8.227 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.582 -7.615 -0.119 1.00 0.00 H new ATOM 782 N CYS A 58 10.191 -1.704 -0.026 1.00 0.00 N ATOM 783 CA CYS A 58 10.094 -0.455 -0.772 1.00 0.00 C ATOM 784 C CYS A 58 10.898 -0.530 -2.065 1.00 0.00 C ATOM 785 O CYS A 58 11.910 -1.227 -2.140 1.00 0.00 O ATOM 786 CB CYS A 58 10.588 0.713 0.083 1.00 0.00 C ATOM 787 SG CYS A 58 12.301 0.548 0.639 1.00 0.00 S ATOM 0 H CYS A 58 10.728 -1.638 0.839 1.00 0.00 H new ATOM 0 HA CYS A 58 9.047 -0.293 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.490 1.635 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.942 0.810 0.955 1.00 0.00 H new ATOM 0 HG CYS A 58 12.627 1.585 1.352 1.00 0.00 H new ATOM 793 N ARG A 59 10.440 0.192 -3.083 1.00 0.00 N ATOM 794 CA ARG A 59 11.116 0.205 -4.375 1.00 0.00 C ATOM 795 C ARG A 59 11.153 1.616 -4.955 1.00 0.00 C ATOM 796 O ARG A 59 10.112 2.234 -5.179 1.00 0.00 O ATOM 797 CB ARG A 59 10.413 -0.740 -5.351 1.00 0.00 C ATOM 798 CG ARG A 59 11.331 -1.299 -6.426 1.00 0.00 C ATOM 799 CD ARG A 59 10.829 -2.635 -6.949 1.00 0.00 C ATOM 800 NE ARG A 59 11.487 -3.018 -8.195 1.00 0.00 N ATOM 801 CZ ARG A 59 11.316 -4.196 -8.785 1.00 0.00 C ATOM 802 NH1 ARG A 59 10.512 -5.101 -8.244 1.00 0.00 N ATOM 803 NH2 ARG A 59 11.950 -4.471 -9.918 1.00 0.00 N ATOM 0 H ARG A 59 9.604 0.775 -3.038 1.00 0.00 H new ATOM 0 HA ARG A 59 12.141 -0.135 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.977 -1.567 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.590 -0.209 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.403 -0.589 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.336 -1.420 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.000 -3.406 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.752 -2.580 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 59 12.112 -2.344 -8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.023 -4.893 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.382 -6.005 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.570 -3.777 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.818 -5.376 -10.370 1.00 0.00 H new ATOM 817 N ASP A 60 12.359 2.119 -5.195 1.00 0.00 N ATOM 818 CA ASP A 60 12.532 3.457 -5.749 1.00 0.00 C ATOM 819 C ASP A 60 12.420 3.434 -7.270 1.00 0.00 C ATOM 820 O ASP A 60 13.027 2.595 -7.934 1.00 0.00 O ATOM 821 CB ASP A 60 13.887 4.032 -5.334 1.00 0.00 C ATOM 822 CG ASP A 60 15.007 3.606 -6.263 1.00 0.00 C ATOM 823 OD1 ASP A 60 15.627 2.555 -6.000 1.00 0.00 O ATOM 824 OD2 ASP A 60 15.263 4.324 -7.252 1.00 0.00 O ATOM 0 H ASP A 60 13.231 1.621 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 60 11.739 4.093 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.827 5.120 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.119 3.710 -4.319 1.00 0.00 H new ATOM 829 N ASN A 61 11.639 4.361 -7.815 1.00 0.00 N ATOM 830 CA ASN A 61 11.446 4.446 -9.258 1.00 0.00 C ATOM 831 C ASN A 61 12.178 5.654 -9.835 1.00 0.00 C ATOM 832 O ASN A 61 12.126 6.750 -9.277 1.00 0.00 O ATOM 833 CB ASN A 61 9.954 4.533 -9.590 1.00 0.00 C ATOM 834 CG ASN A 61 9.166 3.372 -9.015 1.00 0.00 C ATOM 835 OD1 ASN A 61 9.140 2.281 -9.585 1.00 0.00 O ATOM 836 ND2 ASN A 61 8.517 3.603 -7.879 1.00 0.00 N ATOM 0 H ASN A 61 11.130 5.064 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 61 11.860 3.544 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.552 5.469 -9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.826 4.555 -10.672 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.969 2.860 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.567 4.523 -7.441 1.00 0.00 H new ATOM 843 N LYS A 62 12.859 5.446 -10.957 1.00 0.00 N ATOM 844 CA LYS A 62 13.600 6.516 -11.612 1.00 0.00 C ATOM 845 C LYS A 62 12.738 7.214 -12.659 1.00 0.00 C ATOM 846 O LYS A 62 13.201 7.512 -13.760 1.00 0.00 O ATOM 847 CB LYS A 62 14.867 5.961 -12.267 1.00 0.00 C ATOM 848 CG LYS A 62 15.899 7.026 -12.595 1.00 0.00 C ATOM 849 CD LYS A 62 16.586 7.542 -11.341 1.00 0.00 C ATOM 850 CE LYS A 62 17.452 8.756 -11.640 1.00 0.00 C ATOM 851 NZ LYS A 62 18.338 9.101 -10.494 1.00 0.00 N ATOM 0 H LYS A 62 12.913 4.545 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 62 13.881 7.246 -10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.317 5.224 -11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.593 5.438 -13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.644 6.615 -13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.416 7.854 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.836 7.804 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.201 6.752 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.060 8.560 -12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.814 9.608 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.912 9.933 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.757 9.313 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.965 8.298 -10.285 1.00 0.00 H new ATOM 865 N ASP A 63 11.483 7.472 -12.309 1.00 0.00 N ATOM 866 CA ASP A 63 10.556 8.136 -13.218 1.00 0.00 C ATOM 867 C ASP A 63 9.826 9.275 -12.514 1.00 0.00 C ATOM 868 O ASP A 63 9.879 10.424 -12.950 1.00 0.00 O ATOM 869 CB ASP A 63 9.545 7.132 -13.774 1.00 0.00 C ATOM 870 CG ASP A 63 10.187 6.115 -14.697 1.00 0.00 C ATOM 871 OD1 ASP A 63 11.374 5.788 -14.486 1.00 0.00 O ATOM 872 OD2 ASP A 63 9.502 5.644 -15.628 1.00 0.00 O ATOM 0 H ASP A 63 11.084 7.231 -11.402 1.00 0.00 H new ATOM 0 HA ASP A 63 11.133 8.554 -14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.060 6.613 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.765 7.668 -14.315 1.00 0.00 H new ATOM 877 N GLY A 64 9.144 8.947 -11.420 1.00 0.00 N ATOM 878 CA GLY A 64 8.412 9.953 -10.673 1.00 0.00 C ATOM 879 C GLY A 64 7.274 9.362 -9.865 1.00 0.00 C ATOM 880 O GLY A 64 6.164 9.892 -9.863 1.00 0.00 O ATOM 0 H GLY A 64 9.086 8.003 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.097 10.474 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.015 10.697 -11.364 1.00 0.00 H new ATOM 884 N SER A 65 7.551 8.258 -9.177 1.00 0.00 N ATOM 885 CA SER A 65 6.540 7.590 -8.365 1.00 0.00 C ATOM 886 C SER A 65 7.190 6.651 -7.354 1.00 0.00 C ATOM 887 O SER A 65 8.414 6.525 -7.304 1.00 0.00 O ATOM 888 CB SER A 65 5.574 6.808 -9.257 1.00 0.00 C ATOM 889 OG SER A 65 6.277 5.996 -10.182 1.00 0.00 O ATOM 0 H SER A 65 8.466 7.808 -9.166 1.00 0.00 H new ATOM 0 HA SER A 65 5.983 8.353 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.927 6.185 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.928 7.502 -9.795 1.00 0.00 H new ATOM 0 HG SER A 65 5.637 5.505 -10.739 1.00 0.00 H new ATOM 895 N CYS A 66 6.361 5.994 -6.550 1.00 0.00 N ATOM 896 CA CYS A 66 6.854 5.066 -5.538 1.00 0.00 C ATOM 897 C CYS A 66 6.211 3.692 -5.701 1.00 0.00 C ATOM 898 O CYS A 66 5.031 3.584 -6.033 1.00 0.00 O ATOM 899 CB CYS A 66 6.573 5.611 -4.137 1.00 0.00 C ATOM 900 SG CYS A 66 7.053 4.492 -2.800 1.00 0.00 S ATOM 0 H CYS A 66 5.346 6.086 -6.579 1.00 0.00 H new ATOM 0 HA CYS A 66 7.931 4.961 -5.670 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.102 6.556 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.508 5.828 -4.050 1.00 0.00 H new ATOM 0 HG CYS A 66 7.388 5.186 -1.753 1.00 0.00 H new ATOM 906 N SER A 67 6.997 2.646 -5.467 1.00 0.00 N ATOM 907 CA SER A 67 6.506 1.279 -5.593 1.00 0.00 C ATOM 908 C SER A 67 6.695 0.511 -4.288 1.00 0.00 C ATOM 909 O SER A 67 7.797 0.452 -3.744 1.00 0.00 O ATOM 910 CB SER A 67 7.231 0.558 -6.732 1.00 0.00 C ATOM 911 OG SER A 67 6.578 0.776 -7.971 1.00 0.00 O ATOM 0 H SER A 67 7.976 2.719 -5.189 1.00 0.00 H new ATOM 0 HA SER A 67 5.440 1.321 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.261 0.911 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.272 -0.511 -6.522 1.00 0.00 H new ATOM 0 HG SER A 67 7.061 0.307 -8.683 1.00 0.00 H new ATOM 917 N ALA A 68 5.610 -0.076 -3.793 1.00 0.00 N ATOM 918 CA ALA A 68 5.655 -0.842 -2.553 1.00 0.00 C ATOM 919 C ALA A 68 5.076 -2.238 -2.749 1.00 0.00 C ATOM 920 O ALA A 68 3.938 -2.391 -3.193 1.00 0.00 O ATOM 921 CB ALA A 68 4.906 -0.107 -1.452 1.00 0.00 C ATOM 0 H ALA A 68 4.690 -0.036 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 68 6.699 -0.949 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.948 -0.690 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.367 0.867 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.866 0.030 -1.748 1.00 0.00 H new ATOM 927 N GLU A 69 5.867 -3.254 -2.417 1.00 0.00 N ATOM 928 CA GLU A 69 5.431 -4.638 -2.559 1.00 0.00 C ATOM 929 C GLU A 69 5.339 -5.322 -1.198 1.00 0.00 C ATOM 930 O GLU A 69 6.196 -5.130 -0.336 1.00 0.00 O ATOM 931 CB GLU A 69 6.394 -5.409 -3.465 1.00 0.00 C ATOM 932 CG GLU A 69 7.799 -5.527 -2.900 1.00 0.00 C ATOM 933 CD GLU A 69 8.611 -6.613 -3.578 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.105 -7.749 -3.694 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.754 -6.327 -3.992 1.00 0.00 O ATOM 0 H GLU A 69 6.812 -3.145 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 69 4.440 -4.635 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.996 -6.409 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.442 -4.914 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.312 -4.572 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.741 -5.736 -1.832 1.00 0.00 H new ATOM 942 N TYR A 70 4.294 -6.121 -1.013 1.00 0.00 N ATOM 943 CA TYR A 70 4.087 -6.831 0.243 1.00 0.00 C ATOM 944 C TYR A 70 3.577 -8.246 -0.009 1.00 0.00 C ATOM 945 O TYR A 70 2.941 -8.516 -1.028 1.00 0.00 O ATOM 946 CB TYR A 70 3.098 -6.070 1.127 1.00 0.00 C ATOM 947 CG TYR A 70 1.666 -6.163 0.652 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.150 -5.237 -0.246 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.828 -7.176 1.102 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.159 -5.317 -0.683 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.481 -7.265 0.670 1.00 0.00 C ATOM 952 CZ TYR A 70 -0.970 -6.333 -0.222 1.00 0.00 C ATOM 953 OH TYR A 70 -2.274 -6.418 -0.654 1.00 0.00 O ATOM 0 H TYR A 70 3.577 -6.293 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 70 5.046 -6.896 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.160 -6.457 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.392 -5.021 1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.783 -4.441 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.207 -7.906 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.544 -4.589 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.118 -8.060 1.029 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.569 -5.542 -0.979 1.00 0.00 H new ATOM 963 N ILE A 71 3.859 -9.146 0.928 1.00 0.00 N ATOM 964 CA ILE A 71 3.427 -10.533 0.809 1.00 0.00 C ATOM 965 C ILE A 71 2.987 -11.089 2.159 1.00 0.00 C ATOM 966 O ILE A 71 3.801 -11.361 3.042 1.00 0.00 O ATOM 967 CB ILE A 71 4.547 -11.424 0.240 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.902 -10.988 -1.183 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.123 -12.885 0.261 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.217 -11.550 -1.677 1.00 0.00 C ATOM 0 H ILE A 71 4.385 -8.939 1.777 1.00 0.00 H new ATOM 0 HA ILE A 71 2.581 -10.543 0.121 1.00 0.00 H new ATOM 0 HB ILE A 71 5.433 -11.313 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.106 -11.300 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.944 -9.899 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.925 -13.502 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.914 -13.189 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.226 -13.012 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.404 -11.199 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.023 -11.217 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.172 -12.639 -1.672 1.00 0.00 H new ATOM 982 N PRO A 72 1.667 -11.264 2.325 1.00 0.00 N ATOM 983 CA PRO A 72 1.088 -11.791 3.564 1.00 0.00 C ATOM 984 C PRO A 72 1.409 -13.267 3.771 1.00 0.00 C ATOM 985 O PRO A 72 1.942 -13.928 2.879 1.00 0.00 O ATOM 986 CB PRO A 72 -0.417 -11.594 3.364 1.00 0.00 C ATOM 987 CG PRO A 72 -0.605 -11.583 1.887 1.00 0.00 C ATOM 988 CD PRO A 72 0.639 -10.960 1.316 1.00 0.00 C ATOM 0 HA PRO A 72 1.484 -11.287 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.987 -12.398 3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.757 -10.661 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.746 -12.594 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.490 -11.011 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.892 -11.385 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.521 -9.886 1.173 1.00 0.00 H new ATOM 996 N PHE A 73 1.081 -13.779 4.953 1.00 0.00 N ATOM 997 CA PHE A 73 1.335 -15.178 5.277 1.00 0.00 C ATOM 998 C PHE A 73 0.040 -15.894 5.652 1.00 0.00 C ATOM 999 O PHE A 73 -0.002 -17.121 5.733 1.00 0.00 O ATOM 1000 CB PHE A 73 2.340 -15.283 6.426 1.00 0.00 C ATOM 1001 CG PHE A 73 3.734 -14.876 6.042 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.990 -13.604 5.557 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.789 -15.766 6.167 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.271 -13.226 5.203 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.072 -15.394 5.815 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.314 -14.123 5.332 1.00 0.00 C ATOM 0 H PHE A 73 0.639 -13.246 5.702 1.00 0.00 H new ATOM 0 HA PHE A 73 1.753 -15.659 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.002 -14.657 7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.357 -16.310 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.178 -12.899 5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.606 -16.761 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.457 -12.231 4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.886 -16.097 5.917 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.316 -13.831 5.056 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.013 -15.116 5.879 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.309 -15.674 6.244 1.00 0.00 C ATOM 1018 C ALA A 74 -3.448 -14.854 5.647 1.00 0.00 C ATOM 1019 O ALA A 74 -3.383 -13.627 5.561 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.446 -15.747 7.758 1.00 0.00 C ATOM 0 H ALA A 74 -0.994 -14.098 5.817 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.370 -16.683 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.419 -16.166 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.659 -16.382 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.359 -14.746 8.180 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.517 -15.544 5.224 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.690 -14.899 4.627 1.00 0.00 C ATOM 1028 C PRO A 75 -6.491 -14.095 5.646 1.00 0.00 C ATOM 1029 O PRO A 75 -6.550 -14.449 6.822 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.517 -16.078 4.107 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.112 -17.230 4.959 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.663 -17.008 5.295 1.00 0.00 C ATOM 0 HA PRO A 75 -5.412 -14.182 3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.585 -15.880 4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.311 -16.272 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.719 -17.279 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.250 -18.173 4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.417 -17.389 6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.005 -17.512 4.588 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.107 -13.010 5.185 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.896 -12.174 6.070 1.00 0.00 C ATOM 1042 C GLY A 76 -7.958 -10.733 5.603 1.00 0.00 C ATOM 1043 O GLY A 76 -7.440 -10.396 4.538 1.00 0.00 O ATOM 0 H GLY A 76 -7.073 -12.696 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.907 -12.575 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.471 -12.210 7.073 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.595 -9.882 6.399 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.725 -8.469 6.061 1.00 0.00 C ATOM 1049 C ASP A 77 -7.518 -7.679 6.558 1.00 0.00 C ATOM 1050 O ASP A 77 -7.312 -7.533 7.763 1.00 0.00 O ATOM 1051 CB ASP A 77 -10.009 -7.894 6.661 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.301 -8.448 8.042 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -10.987 -9.487 8.132 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -9.842 -7.842 9.033 1.00 0.00 O ATOM 0 H ASP A 77 -9.030 -10.146 7.283 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.772 -8.383 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.926 -6.809 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.847 -8.115 5.999 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.724 -7.171 5.622 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.535 -6.399 5.965 1.00 0.00 C ATOM 1061 C TYR A 78 -5.792 -4.904 5.802 1.00 0.00 C ATOM 1062 O TYR A 78 -6.701 -4.494 5.080 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.355 -6.824 5.090 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.741 -8.143 5.501 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.454 -9.330 5.386 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.447 -8.203 6.004 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.898 -10.537 5.760 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.882 -9.406 6.380 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.611 -10.570 6.256 1.00 0.00 C ATOM 1070 OH TYR A 78 -2.052 -11.770 6.631 1.00 0.00 O ATOM 0 H TYR A 78 -6.882 -7.280 4.620 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.293 -6.596 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.688 -6.895 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.589 -6.049 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.461 -9.308 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.873 -7.293 6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.467 -11.450 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.875 -9.435 6.769 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.707 -12.489 6.508 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.983 -4.095 6.477 1.00 0.00 N ATOM 1081 CA ASP A 79 -5.120 -2.644 6.407 1.00 0.00 C ATOM 1082 C ASP A 79 -3.797 -1.992 6.017 1.00 0.00 C ATOM 1083 O ASP A 79 -2.911 -1.813 6.853 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.600 -2.090 7.750 1.00 0.00 C ATOM 1085 CG ASP A 79 -7.112 -2.070 7.860 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.687 -3.080 8.316 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.720 -1.044 7.490 1.00 0.00 O ATOM 0 H ASP A 79 -4.226 -4.419 7.079 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.860 -2.410 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.188 -2.695 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.216 -1.079 7.881 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.670 -1.640 4.742 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.455 -1.007 4.241 1.00 0.00 C ATOM 1094 C VAL A 80 -2.345 0.433 4.728 1.00 0.00 C ATOM 1095 O VAL A 80 -3.061 1.315 4.256 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.409 -1.023 2.702 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.133 -0.364 2.199 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.524 -2.447 2.180 1.00 0.00 C ATOM 0 H VAL A 80 -4.393 -1.782 4.037 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.614 -1.583 4.628 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.258 -0.452 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.118 -0.385 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.097 0.670 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.268 -0.904 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.490 -2.439 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.697 -3.043 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.468 -2.880 2.510 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.442 0.664 5.675 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.237 1.999 6.226 1.00 0.00 C ATOM 1110 C ASN A 81 -0.206 2.772 5.410 1.00 0.00 C ATOM 1111 O ASN A 81 0.856 2.247 5.074 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.784 1.907 7.685 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.878 1.390 8.598 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.505 2.156 9.330 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -2.113 0.083 8.560 1.00 0.00 N ATOM 0 H ASN A 81 -0.841 -0.055 6.077 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.186 2.534 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.083 1.250 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.465 2.892 8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.837 -0.322 9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.569 -0.515 7.938 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.526 4.023 5.095 1.00 0.00 N ATOM 1123 CA ILE A 82 0.373 4.869 4.320 1.00 0.00 C ATOM 1124 C ILE A 82 0.381 6.297 4.854 1.00 0.00 C ATOM 1125 O ILE A 82 -0.671 6.915 5.023 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.021 4.893 2.831 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.140 3.466 2.290 1.00 0.00 C ATOM 1128 CG2 ILE A 82 0.998 5.686 2.026 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -1.071 3.346 1.104 1.00 0.00 C ATOM 0 H ILE A 82 -1.401 4.473 5.365 1.00 0.00 H new ATOM 0 HA ILE A 82 1.371 4.441 4.417 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.991 5.381 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.850 3.111 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.494 2.812 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.706 5.694 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.039 6.709 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.980 5.224 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.107 2.308 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.071 3.670 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.707 3.974 0.291 1.00 0.00 H new ATOM 1141 N THR A 83 1.575 6.818 5.118 1.00 0.00 N ATOM 1142 CA THR A 83 1.722 8.174 5.632 1.00 0.00 C ATOM 1143 C THR A 83 2.865 8.905 4.939 1.00 0.00 C ATOM 1144 O THR A 83 3.938 8.339 4.726 1.00 0.00 O ATOM 1145 CB THR A 83 1.974 8.173 7.152 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.054 7.289 7.469 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.725 7.747 7.908 1.00 0.00 C ATOM 0 H THR A 83 2.455 6.321 4.984 1.00 0.00 H new ATOM 0 HA THR A 83 0.786 8.693 5.426 1.00 0.00 H new ATOM 0 HB THR A 83 2.234 9.187 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.209 7.295 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.928 7.754 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.087 8.440 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.438 6.742 7.600 1.00 0.00 H new ATOM 1155 N TYR A 84 2.630 10.164 4.588 1.00 0.00 N ATOM 1156 CA TYR A 84 3.641 10.972 3.917 1.00 0.00 C ATOM 1157 C TYR A 84 4.282 11.960 4.887 1.00 0.00 C ATOM 1158 O TYR A 84 3.658 12.938 5.298 1.00 0.00 O ATOM 1159 CB TYR A 84 3.021 11.726 2.739 1.00 0.00 C ATOM 1160 CG TYR A 84 4.027 12.138 1.688 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.847 11.198 1.076 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.157 13.468 1.306 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.767 11.570 0.116 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.074 13.849 0.345 1.00 0.00 C ATOM 1165 CZ TYR A 84 5.877 12.896 -0.247 1.00 0.00 C ATOM 1166 OH TYR A 84 6.792 13.271 -1.203 1.00 0.00 O ATOM 0 H TYR A 84 1.748 10.647 4.757 1.00 0.00 H new ATOM 0 HA TYR A 84 4.416 10.302 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.261 11.097 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.514 12.615 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.763 10.158 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.531 14.217 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.397 10.826 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.162 14.887 0.059 1.00 0.00 H new ATOM 0 HH TYR A 84 6.676 14.222 -1.411 1.00 0.00 H new ATOM 1176 N GLY A 85 5.533 11.696 5.249 1.00 0.00 N ATOM 1177 CA GLY A 85 6.240 12.570 6.168 1.00 0.00 C ATOM 1178 C GLY A 85 5.784 12.393 7.603 1.00 0.00 C ATOM 1179 O GLY A 85 6.555 11.960 8.458 1.00 0.00 O ATOM 0 H GLY A 85 6.070 10.893 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.310 12.372 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.089 13.607 5.867 1.00 0.00 H new ATOM 1183 N GLY A 86 4.525 12.730 7.868 1.00 0.00 N ATOM 1184 CA GLY A 86 3.990 12.601 9.211 1.00 0.00 C ATOM 1185 C GLY A 86 2.479 12.719 9.247 1.00 0.00 C ATOM 1186 O GLY A 86 1.900 13.040 10.283 1.00 0.00 O ATOM 0 H GLY A 86 3.867 13.090 7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.286 11.637 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.427 13.370 9.848 1.00 0.00 H new ATOM 1190 N ALA A 87 1.840 12.460 8.111 1.00 0.00 N ATOM 1191 CA ALA A 87 0.388 12.538 8.016 1.00 0.00 C ATOM 1192 C ALA A 87 -0.178 11.348 7.248 1.00 0.00 C ATOM 1193 O ALA A 87 0.516 10.733 6.438 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.029 13.843 7.354 1.00 0.00 C ATOM 0 H ALA A 87 2.306 12.194 7.243 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.019 12.510 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.116 13.887 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.334 14.683 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.396 13.895 6.352 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.441 11.028 7.508 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.100 9.911 6.841 1.00 0.00 C ATOM 1202 C HIS A 88 -2.815 10.378 5.577 1.00 0.00 C ATOM 1203 O HIS A 88 -3.593 11.333 5.610 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.096 9.240 7.786 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.492 8.153 8.621 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.554 6.819 8.279 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.808 8.210 9.788 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.936 6.101 9.201 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.474 6.922 10.127 1.00 0.00 N ATOM 0 H HIS A 88 -2.029 11.526 8.176 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.336 9.187 6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.526 9.996 8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.916 8.824 7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.570 9.102 10.348 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.827 5.026 9.198 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.953 6.644 10.959 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.547 9.701 4.466 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.165 10.048 3.192 1.00 0.00 C ATOM 1220 C ILE A 89 -4.643 9.671 3.178 1.00 0.00 C ATOM 1221 O ILE A 89 -5.075 8.726 3.840 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.458 9.351 2.015 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.650 7.835 2.101 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.978 9.703 2.003 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.440 7.124 0.783 1.00 0.00 C ATOM 0 H ILE A 89 -1.906 8.909 4.422 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.066 11.127 3.077 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.903 9.702 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.956 7.430 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.657 7.624 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.492 9.203 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.861 10.782 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.519 9.377 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.592 6.053 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.152 7.501 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.425 7.304 0.430 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.438 10.424 2.404 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.880 10.187 2.283 1.00 0.00 C ATOM 1239 C PRO A 90 -7.194 8.902 1.524 1.00 0.00 C ATOM 1240 O PRO A 90 -7.275 8.899 0.296 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.375 11.405 1.500 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.188 11.868 0.728 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.992 11.565 1.588 1.00 0.00 C ATOM 0 HA PRO A 90 -7.357 10.066 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.200 11.141 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.740 12.184 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.120 11.353 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.254 12.934 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.119 11.312 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.716 12.418 2.207 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.370 7.811 2.263 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.674 6.535 1.642 1.00 0.00 C ATOM 1253 C GLY A 91 -7.134 5.361 2.435 1.00 0.00 C ATOM 1254 O GLY A 91 -7.496 4.212 2.181 1.00 0.00 O ATOM 0 H GLY A 91 -7.307 7.788 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.754 6.433 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.254 6.514 0.637 1.00 0.00 H new ATOM 1258 N SER A 92 -6.264 5.649 3.398 1.00 0.00 N ATOM 1259 CA SER A 92 -5.669 4.608 4.228 1.00 0.00 C ATOM 1260 C SER A 92 -6.248 4.640 5.639 1.00 0.00 C ATOM 1261 O SER A 92 -6.694 5.677 6.131 1.00 0.00 O ATOM 1262 CB SER A 92 -4.150 4.777 4.283 1.00 0.00 C ATOM 1263 OG SER A 92 -3.631 4.325 5.522 1.00 0.00 O ATOM 0 H SER A 92 -5.955 6.595 3.623 1.00 0.00 H new ATOM 0 HA SER A 92 -5.904 3.642 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.689 4.220 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.892 5.826 4.138 1.00 0.00 H new ATOM 0 HG SER A 92 -3.617 5.068 6.161 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.241 3.477 6.307 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.713 2.237 5.731 1.00 0.00 C ATOM 1271 C PRO A 93 -6.593 1.699 4.608 1.00 0.00 C ATOM 1272 O PRO A 93 -7.811 1.875 4.621 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.709 1.269 6.917 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.763 1.788 7.834 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.749 3.284 7.676 1.00 0.00 C ATOM 0 HA PRO A 93 -4.732 2.383 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.929 0.250 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.735 1.246 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.740 1.378 7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.558 1.503 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.744 3.711 7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.104 3.760 8.415 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.968 1.041 3.637 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.694 0.478 2.505 1.00 0.00 C ATOM 1285 C PHE A 94 -6.994 -1.001 2.733 1.00 0.00 C ATOM 1286 O PHE A 94 -6.100 -1.845 2.663 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.889 0.653 1.216 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.731 2.087 0.798 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.811 2.909 1.429 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.503 2.614 -0.225 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.665 4.230 1.047 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.360 3.933 -0.612 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.439 4.742 0.025 1.00 0.00 C ATOM 0 H PHE A 94 -4.960 0.885 3.612 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.639 1.013 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.902 0.211 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.378 0.101 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.201 2.514 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.225 1.986 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.946 4.861 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.968 4.331 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.325 5.773 -0.276 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.258 -1.307 3.006 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.676 -2.683 3.246 1.00 0.00 C ATOM 1305 C ARG A 95 -8.524 -3.526 1.984 1.00 0.00 C ATOM 1306 O ARG A 95 -8.965 -3.132 0.904 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.129 -2.721 3.725 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.438 -3.893 4.641 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.637 -5.179 3.853 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.808 -5.111 2.983 1.00 0.00 N ATOM 1311 CZ ARG A 95 -13.050 -5.325 3.404 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.281 -5.617 4.676 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -14.063 -5.245 2.551 1.00 0.00 N ATOM 0 H ARG A 95 -9.010 -0.621 3.067 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.033 -3.101 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.354 -1.792 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.788 -2.765 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.624 -4.024 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.336 -3.677 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.750 -5.377 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.747 -6.015 4.544 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.665 -4.887 1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.504 -5.678 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.235 -5.781 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.889 -5.019 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.016 -5.409 2.874 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.894 -4.688 2.127 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.683 -5.587 0.999 1.00 0.00 C ATOM 1329 C VAL A 96 -7.986 -7.031 1.383 1.00 0.00 C ATOM 1330 O VAL A 96 -7.393 -7.592 2.304 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.238 -5.499 0.473 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.105 -6.239 -0.849 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.813 -4.046 0.327 1.00 0.00 C ATOM 0 H VAL A 96 -7.521 -5.029 3.013 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.368 -5.272 0.211 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.576 -5.976 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.077 -6.166 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.366 -7.288 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.776 -5.795 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.790 -4.002 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.477 -3.542 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.868 -3.552 1.297 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.931 -7.650 0.660 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.334 -9.038 0.906 1.00 0.00 C ATOM 1345 C PRO A 97 -8.247 -10.034 0.518 1.00 0.00 C ATOM 1346 O PRO A 97 -8.077 -10.356 -0.658 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.564 -9.214 0.013 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.388 -8.214 -1.077 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.680 -7.043 -0.453 1.00 0.00 C ATOM 0 HA PRO A 97 -9.527 -9.225 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.622 -10.227 -0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.485 -9.036 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.805 -8.630 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.351 -7.913 -1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.016 -6.550 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.384 -6.290 -0.100 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.513 -10.521 1.514 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.443 -11.482 1.277 1.00 0.00 C ATOM 1359 C VAL A 98 -6.966 -12.913 1.341 1.00 0.00 C ATOM 1360 O VAL A 98 -7.262 -13.430 2.418 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.304 -11.318 2.300 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.208 -12.342 2.048 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.745 -9.904 2.251 1.00 0.00 C ATOM 0 H VAL A 98 -7.640 -10.265 2.493 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.055 -11.284 0.278 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.707 -11.491 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.412 -12.211 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.621 -13.347 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.804 -12.204 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.941 -9.805 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.357 -9.701 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.536 -9.192 2.485 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.076 -13.549 0.179 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.562 -14.921 0.101 1.00 0.00 C ATOM 1375 C LYS A 99 -6.403 -15.912 0.156 1.00 0.00 C ATOM 1376 O LYS A 99 -5.237 -15.518 0.173 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.363 -15.128 -1.186 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.463 -14.102 -1.390 1.00 0.00 C ATOM 1379 CD LYS A 99 -9.922 -14.055 -2.838 1.00 0.00 C ATOM 1380 CE LYS A 99 -10.773 -15.264 -3.192 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.291 -15.188 -4.587 1.00 0.00 N ATOM 0 H LYS A 99 -6.835 -13.135 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.211 -15.099 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.683 -15.093 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.805 -16.124 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.310 -14.342 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.104 -13.118 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.494 -13.143 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.053 -14.015 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.182 -16.172 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.610 -15.335 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.866 -16.030 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.876 -14.335 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.493 -15.146 -5.252 1.00 0.00 H new ATOM 1395 N ASP A 100 -6.732 -17.199 0.183 1.00 0.00 N ATOM 1396 CA ASP A 100 -5.718 -18.246 0.233 1.00 0.00 C ATOM 1397 C ASP A 100 -5.661 -19.011 -1.085 1.00 0.00 C ATOM 1398 O ASP A 100 -6.657 -19.585 -1.526 1.00 0.00 O ATOM 1399 CB ASP A 100 -6.008 -19.211 1.384 1.00 0.00 C ATOM 1400 CG ASP A 100 -7.492 -19.440 1.588 1.00 0.00 C ATOM 1401 OD1 ASP A 100 -8.138 -19.993 0.673 1.00 0.00 O ATOM 1402 OD2 ASP A 100 -8.009 -19.066 2.662 1.00 0.00 O ATOM 0 H ASP A 100 -7.692 -17.542 0.171 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.750 -17.773 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.520 -20.165 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.575 -18.816 2.303 1.00 0.00 H new ATOM 1407 N VAL A 101 -4.488 -19.013 -1.712 1.00 0.00 N ATOM 1408 CA VAL A 101 -4.301 -19.707 -2.981 1.00 0.00 C ATOM 1409 C VAL A 101 -4.939 -21.091 -2.949 1.00 0.00 C ATOM 1410 O VAL A 101 -5.607 -21.500 -3.899 1.00 0.00 O ATOM 1411 CB VAL A 101 -2.807 -19.849 -3.327 1.00 0.00 C ATOM 1412 CG1 VAL A 101 -2.631 -20.601 -4.637 1.00 0.00 C ATOM 1413 CG2 VAL A 101 -2.143 -18.483 -3.394 1.00 0.00 C ATOM 0 H VAL A 101 -3.654 -18.542 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.788 -19.104 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.323 -20.424 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.569 -20.691 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.069 -21.595 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.129 -20.056 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.088 -18.603 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.628 -17.880 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.237 -17.985 -2.429 1.00 0.00 H new ATOM 1423 N VAL A 102 -4.728 -21.809 -1.851 1.00 0.00 N ATOM 1424 CA VAL A 102 -5.284 -23.148 -1.694 1.00 0.00 C ATOM 1425 C VAL A 102 -5.126 -23.644 -0.261 1.00 0.00 C ATOM 1426 O VAL A 102 -4.084 -23.447 0.364 1.00 0.00 O ATOM 1427 CB VAL A 102 -4.611 -24.150 -2.650 1.00 0.00 C ATOM 1428 CG1 VAL A 102 -3.100 -24.119 -2.480 1.00 0.00 C ATOM 1429 CG2 VAL A 102 -5.153 -25.553 -2.419 1.00 0.00 C ATOM 0 H VAL A 102 -4.176 -21.486 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.344 -23.081 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.843 -23.859 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -2.642 -24.834 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.730 -23.118 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.844 -24.383 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.666 -26.248 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.953 -25.856 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -6.228 -25.562 -2.597 1.00 0.00 H new ATOM 1439 N ASP A 103 -6.167 -24.290 0.253 1.00 0.00 N ATOM 1440 CA ASP A 103 -6.144 -24.817 1.613 1.00 0.00 C ATOM 1441 C ASP A 103 -5.524 -26.211 1.645 1.00 0.00 C ATOM 1442 O ASP A 103 -5.672 -27.004 0.714 1.00 0.00 O ATOM 1443 CB ASP A 103 -7.559 -24.861 2.190 1.00 0.00 C ATOM 1444 CG ASP A 103 -8.284 -26.149 1.849 1.00 0.00 C ATOM 1445 OD1 ASP A 103 -8.224 -26.570 0.675 1.00 0.00 O ATOM 1446 OD2 ASP A 103 -8.911 -26.735 2.756 1.00 0.00 O ATOM 0 H ASP A 103 -7.037 -24.461 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.532 -24.153 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.510 -24.751 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.130 -24.014 1.809 1.00 0.00 H new ATOM 1451 N PRO A 104 -4.814 -26.518 2.740 1.00 0.00 N ATOM 1452 CA PRO A 104 -4.158 -27.817 2.919 1.00 0.00 C ATOM 1453 C PRO A 104 -5.158 -28.948 3.131 1.00 0.00 C ATOM 1454 O PRO A 104 -6.185 -28.766 3.787 1.00 0.00 O ATOM 1455 CB PRO A 104 -3.306 -27.613 4.175 1.00 0.00 C ATOM 1456 CG PRO A 104 -3.994 -26.526 4.927 1.00 0.00 C ATOM 1457 CD PRO A 104 -4.597 -25.622 3.888 1.00 0.00 C ATOM 0 HA PRO A 104 -3.583 -28.108 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -3.247 -28.527 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.284 -27.332 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.763 -26.932 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.291 -25.982 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.531 -25.179 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.929 -24.799 3.635 1.00 0.00 H new ATOM 1465 N SER A 105 -4.853 -30.115 2.574 1.00 0.00 N ATOM 1466 CA SER A 105 -5.727 -31.275 2.699 1.00 0.00 C ATOM 1467 C SER A 105 -5.539 -31.953 4.053 1.00 0.00 C ATOM 1468 O SER A 105 -6.370 -32.753 4.478 1.00 0.00 O ATOM 1469 CB SER A 105 -5.452 -32.272 1.573 1.00 0.00 C ATOM 1470 OG SER A 105 -6.249 -33.435 1.715 1.00 0.00 O ATOM 0 H SER A 105 -4.006 -30.282 2.031 1.00 0.00 H new ATOM 0 HA SER A 105 -6.759 -30.931 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.656 -31.803 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.397 -32.547 1.577 1.00 0.00 H new ATOM 0 HG SER A 105 -6.510 -33.540 2.654 1.00 0.00 H new TER 1476 SER A 105