USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 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 62 ASN : amide:sc= -1.39 K(o=-2.3,f=-6.1!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.934 K(o=-2.3,f=-6.8) USER MOD Set 2.1: A 16 TYR OH : rot 100:sc= -0.511 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -179:sc= -0.451 (180deg=0) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.528 K(o=-1.6,f=-6.2!) USER MOD Set 3.2: A 37 GLN : amide:sc= -1.11 K(o=-1.6,f=-3.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.1!) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0385) USER MOD Single : A 33 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.27) USER MOD Single : A 35 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.00034) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0187 K(o=-0.019,f=-2.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0291 K(o=0.029,f=-7.8!) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 1.4 (180deg=1.22) USER MOD Single : A 59 HIS : no HE2:sc= 0.734 K(o=0.73,f=-2.9!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 67:sc= 0.00193 USER MOD Single : A 76 ASN : amide:sc= 0.831 K(o=0.83,f=-0.21) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 82 SER OG : rot -173:sc= 1.36 USER MOD Single : A 84 ASN : amide:sc= 1.05 K(o=1,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 -10.190 -3.211 4.195 1.00 -0.46 N ATOM 23 CA ASP A 2 -9.518 -1.986 3.758 1.00 0.04 C ATOM 24 C ASP A 2 -10.552 -0.880 3.736 1.00 0.62 C ATOM 25 O ASP A 2 -11.701 -1.161 4.036 1.00 -0.50 O ATOM 26 CB ASP A 2 -8.781 -2.253 2.420 1.00 -0.40 C ATOM 27 CG ASP A 2 -7.687 -1.248 2.145 1.00 0.71 C ATOM 28 OD1 ASP A 2 -7.966 -0.027 2.255 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -6.541 -1.657 1.822 1.00 -0.72 O ATOM 0 HA ASP A 2 -8.733 -1.658 4.440 1.00 0.04 H new ATOM 0 HB2 ASP A 2 -8.352 -3.255 2.440 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 -9.502 -2.232 1.603 1.00 -0.40 H new ATOM 34 N CYS A 3 -10.187 0.387 3.436 1.00 -0.46 N ATOM 35 CA CYS A 3 -11.085 1.499 3.735 1.00 0.04 C ATOM 36 C CYS A 3 -11.416 1.472 5.221 1.00 0.62 C ATOM 37 O CYS A 3 -12.499 1.888 5.599 1.00 -0.50 O ATOM 38 CB CYS A 3 -12.353 1.510 2.835 1.00 -0.10 C ATOM 39 SG CYS A 3 -12.026 1.670 1.044 1.00 0.82 S ATOM 0 H CYS A 3 -9.303 0.649 3.001 1.00 -0.46 H new ATOM 0 HA CYS A 3 -10.578 2.435 3.502 1.00 0.04 H new ATOM 0 HB2 CYS A 3 -12.910 0.589 3.007 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 -12.995 2.334 3.147 1.00 -0.10 H new ATOM 44 N GLY A 4 -10.492 0.981 6.085 1.00 -0.46 N ATOM 45 CA GLY A 4 -10.753 0.942 7.523 1.00 0.04 C ATOM 46 C GLY A 4 -9.578 0.384 8.309 1.00 0.62 C ATOM 47 O GLY A 4 -8.790 1.157 8.831 1.00 -0.50 O ATOM 0 H GLY A 4 -9.581 0.616 5.806 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 -10.978 1.948 7.876 1.00 0.04 H new ATOM 0 HA3 GLY A 4 -11.636 0.332 7.713 1.00 0.04 H new ATOM 51 N HIS A 5 -9.422 -0.958 8.405 1.00 -0.46 N ATOM 52 CA HIS A 5 -8.316 -1.515 9.192 1.00 0.04 C ATOM 53 C HIS A 5 -7.007 -1.417 8.440 1.00 0.62 C ATOM 54 O HIS A 5 -6.032 -0.950 9.010 1.00 -0.50 O ATOM 55 CB HIS A 5 -8.577 -2.989 9.603 1.00 -0.10 C ATOM 56 CG HIS A 5 -7.344 -3.616 10.205 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.647 -3.154 11.202 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -6.748 -4.748 9.822 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -5.633 -3.920 11.479 1.00 0.11 C ATOM 60 NE2 HIS A 5 -5.727 -4.889 10.616 1.00 -0.06 N ATOM 0 H HIS A 5 -10.029 -1.647 7.961 1.00 -0.46 H new ATOM 0 HA HIS A 5 -8.249 -0.918 10.101 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -9.396 -3.029 10.321 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 -8.890 -3.562 8.730 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -7.050 -5.407 9.022 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -4.886 -3.783 12.247 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -5.074 -5.671 10.567 1.00 -0.06 H new ATOM 69 N VAL A 6 -6.946 -1.845 7.160 1.00 -0.46 N ATOM 70 CA VAL A 6 -5.698 -1.675 6.409 1.00 0.04 C ATOM 71 C VAL A 6 -5.409 -0.189 6.405 1.00 0.62 C ATOM 72 O VAL A 6 -4.311 0.212 6.759 1.00 -0.50 O ATOM 73 CB VAL A 6 -5.715 -2.216 4.947 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -4.310 -2.145 4.291 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -6.227 -3.679 4.842 1.00 -0.09 C ATOM 0 H VAL A 6 -7.710 -2.289 6.651 1.00 -0.46 H new ATOM 0 HA VAL A 6 -4.928 -2.270 6.900 1.00 0.04 H new ATOM 0 HB VAL A 6 -6.410 -1.565 4.416 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 -4.364 -2.531 3.273 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 -3.971 -1.109 4.269 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 -3.607 -2.745 4.870 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 -6.214 -3.995 3.799 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 -5.581 -4.333 5.427 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 -7.246 -3.736 5.226 1.00 -0.09 H new ATOM 85 N ASP A 7 -6.416 0.633 6.027 1.00 -0.46 N ATOM 86 CA ASP A 7 -6.247 2.084 6.033 1.00 0.04 C ATOM 87 C ASP A 7 -5.555 2.537 7.303 1.00 0.62 C ATOM 88 O ASP A 7 -4.554 3.231 7.222 1.00 -0.50 O ATOM 89 CB ASP A 7 -7.607 2.813 5.864 1.00 -0.40 C ATOM 90 CG ASP A 7 -7.422 4.304 5.881 1.00 0.71 C ATOM 91 OD1 ASP A 7 -6.705 4.826 4.988 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -7.992 4.974 6.787 1.00 -0.72 O ATOM 0 H ASP A 7 -7.335 0.312 5.721 1.00 -0.46 H new ATOM 0 HA ASP A 7 -5.619 2.348 5.182 1.00 0.04 H new ATOM 0 HB2 ASP A 7 -8.072 2.511 4.926 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -8.285 2.517 6.665 1.00 -0.40 H new ATOM 97 N SER A 8 -6.043 2.139 8.499 1.00 -0.46 N ATOM 98 CA SER A 8 -5.367 2.555 9.731 1.00 0.04 C ATOM 99 C SER A 8 -3.868 2.351 9.639 1.00 0.62 C ATOM 100 O SER A 8 -3.124 3.232 10.043 1.00 -0.50 O ATOM 101 CB SER A 8 -5.898 1.785 10.970 1.00 0.02 C ATOM 102 OG SER A 8 -5.340 2.302 12.191 1.00 -0.55 O ATOM 0 H SER A 8 -6.869 1.554 8.629 1.00 -0.46 H new ATOM 0 HA SER A 8 -5.583 3.617 9.851 1.00 0.04 H new ATOM 0 HB2 SER A 8 -6.985 1.857 11.006 1.00 0.02 H new ATOM 0 HB3 SER A 8 -5.652 0.727 10.875 1.00 0.02 H new ATOM 0 HG SER A 8 -5.695 1.797 12.952 1.00 -0.55 H new ATOM 108 N LEU A 9 -3.401 1.197 9.110 1.00 -0.46 N ATOM 109 CA LEU A 9 -1.959 0.963 8.993 1.00 0.04 C ATOM 110 C LEU A 9 -1.329 1.704 7.824 1.00 0.62 C ATOM 111 O LEU A 9 -0.124 1.904 7.866 1.00 -0.50 O ATOM 112 CB LEU A 9 -1.634 -0.552 8.869 1.00 -0.06 C ATOM 113 CG LEU A 9 -2.208 -1.476 9.987 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -1.581 -2.894 9.849 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -1.947 -0.925 11.414 1.00 -0.11 C ATOM 0 H LEU A 9 -3.990 0.437 8.768 1.00 -0.46 H new ATOM 0 HA LEU A 9 -1.527 1.355 9.914 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -2.009 -0.905 7.908 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -0.550 -0.669 8.851 1.00 -0.06 H new ATOM 0 HG LEU A 9 -3.289 -1.518 9.856 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -1.978 -3.545 10.628 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -1.827 -3.307 8.871 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -0.498 -2.825 9.952 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -2.368 -1.609 12.151 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -0.873 -0.832 11.577 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -2.416 0.054 11.518 1.00 -0.11 H new ATOM 127 N VAL A 10 -2.070 2.131 6.771 1.00 -0.46 N ATOM 128 CA VAL A 10 -1.443 2.924 5.705 1.00 0.04 C ATOM 129 C VAL A 10 -1.228 4.344 6.183 1.00 0.62 C ATOM 130 O VAL A 10 -0.235 4.937 5.797 1.00 -0.50 O ATOM 131 CB VAL A 10 -2.166 2.967 4.319 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -2.731 1.578 3.924 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -3.255 4.073 4.210 1.00 -0.09 C ATOM 0 H VAL A 10 -3.065 1.944 6.645 1.00 -0.46 H new ATOM 0 HA VAL A 10 -0.511 2.393 5.512 1.00 0.04 H new ATOM 0 HB VAL A 10 -1.394 3.239 3.599 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -3.226 1.649 2.955 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -1.915 0.857 3.863 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -3.449 1.250 4.675 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -3.710 4.039 3.220 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -4.020 3.906 4.968 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -2.798 5.050 4.365 1.00 -0.09 H new ATOM 143 N ARG A 11 -2.132 4.922 7.007 1.00 -0.46 N ATOM 144 CA ARG A 11 -1.981 6.325 7.402 1.00 0.04 C ATOM 145 C ARG A 11 -0.547 6.696 7.761 1.00 0.62 C ATOM 146 O ARG A 11 -0.049 7.623 7.141 1.00 -0.50 O ATOM 147 CB ARG A 11 -2.972 6.805 8.505 1.00 -0.08 C ATOM 148 CG ARG A 11 -4.490 6.612 8.202 1.00 -0.10 C ATOM 149 CD ARG A 11 -4.982 7.254 6.873 1.00 -0.23 C ATOM 150 NE ARG A 11 -6.427 7.062 6.702 1.00 -0.32 N ATOM 151 CZ ARG A 11 -7.123 7.536 5.690 1.00 0.76 C ATOM 152 NH1 ARG A 11 -6.592 8.268 4.743 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -8.404 7.268 5.616 1.00 -0.62 N ATOM 0 H ARG A 11 -2.947 4.449 7.397 1.00 -0.46 H new ATOM 0 HA ARG A 11 -2.252 6.870 6.498 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -2.738 6.276 9.429 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -2.792 7.864 8.689 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -4.707 5.544 8.174 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -5.066 7.033 9.026 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -4.750 8.319 6.871 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -4.450 6.810 6.031 1.00 -0.23 H new ATOM 0 HE ARG A 11 -6.924 6.526 7.414 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -5.598 8.494 4.770 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -7.173 8.613 3.979 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -8.848 6.699 6.337 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -8.956 7.628 4.838 1.00 -0.62 H new ATOM 167 N PRO A 12 0.199 6.050 8.697 1.00 -0.23 N ATOM 168 CA PRO A 12 1.581 6.465 8.927 1.00 0.04 C ATOM 169 C PRO A 12 2.453 6.305 7.700 1.00 0.53 C ATOM 170 O PRO A 12 3.421 7.036 7.565 1.00 -0.50 O ATOM 171 CB PRO A 12 1.989 5.479 10.052 1.00 -0.12 C ATOM 172 CG PRO A 12 1.039 4.273 9.870 1.00 -0.12 C ATOM 173 CD PRO A 12 -0.303 4.940 9.497 1.00 -0.01 C ATOM 0 HA PRO A 12 1.691 7.520 9.176 1.00 0.04 H new ATOM 0 HB2 PRO A 12 3.033 5.180 9.959 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 1.873 5.931 11.037 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 1.387 3.600 9.086 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 0.956 3.683 10.783 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -0.958 4.277 8.931 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -0.864 5.272 10.371 1.00 -0.01 H new ATOM 181 N CYS A 13 2.145 5.363 6.780 1.00 -0.46 N ATOM 182 CA CYS A 13 2.954 5.232 5.569 1.00 0.04 C ATOM 183 C CYS A 13 2.879 6.497 4.737 1.00 0.62 C ATOM 184 O CYS A 13 3.882 6.875 4.151 1.00 -0.50 O ATOM 185 CB CYS A 13 2.507 4.020 4.710 1.00 -0.10 C ATOM 186 SG CYS A 13 2.442 2.489 5.699 1.00 0.82 S ATOM 0 H CYS A 13 1.367 4.707 6.856 1.00 -0.46 H new ATOM 0 HA CYS A 13 3.984 5.067 5.886 1.00 0.04 H new ATOM 0 HB2 CYS A 13 1.525 4.219 4.281 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 3.198 3.888 3.878 1.00 -0.10 H new ATOM 191 N LEU A 14 1.697 7.152 4.680 1.00 -0.46 N ATOM 192 CA LEU A 14 1.509 8.311 3.802 1.00 0.04 C ATOM 193 C LEU A 14 2.668 9.297 3.790 1.00 0.62 C ATOM 194 O LEU A 14 2.896 9.896 2.751 1.00 -0.50 O ATOM 195 CB LEU A 14 0.191 9.078 4.106 1.00 -0.06 C ATOM 196 CG LEU A 14 -1.125 8.306 3.759 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.346 9.140 4.235 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -1.280 7.992 2.240 1.00 -0.11 C ATOM 0 H LEU A 14 0.875 6.896 5.226 1.00 -0.46 H new ATOM 0 HA LEU A 14 1.456 7.868 2.808 1.00 0.04 H new ATOM 0 HB2 LEU A 14 0.175 9.334 5.165 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 0.200 10.016 3.552 1.00 -0.06 H new ATOM 0 HG LEU A 14 -1.074 7.347 4.275 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -3.266 8.607 3.996 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -2.285 9.293 5.313 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -2.345 10.107 3.731 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -2.214 7.456 2.073 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -1.290 8.924 1.675 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -0.444 7.376 1.909 1.00 -0.11 H new ATOM 210 N SER A 15 3.420 9.511 4.895 1.00 -0.46 N ATOM 211 CA SER A 15 4.463 10.546 4.878 1.00 0.04 C ATOM 212 C SER A 15 5.503 10.347 3.784 1.00 0.62 C ATOM 213 O SER A 15 5.449 11.045 2.783 1.00 -0.50 O ATOM 214 CB SER A 15 5.132 10.733 6.270 1.00 0.02 C ATOM 215 OG SER A 15 4.232 11.346 7.210 1.00 -0.55 O ATOM 0 H SER A 15 3.326 9.000 5.773 1.00 -0.46 H new ATOM 0 HA SER A 15 3.941 11.471 4.635 1.00 0.04 H new ATOM 0 HB2 SER A 15 5.455 9.765 6.652 1.00 0.02 H new ATOM 0 HB3 SER A 15 6.025 11.349 6.166 1.00 0.02 H new ATOM 0 HG SER A 15 4.682 11.448 8.075 1.00 -0.55 H new ATOM 221 N TYR A 16 6.479 9.419 3.930 1.00 -0.46 N ATOM 222 CA TYR A 16 7.501 9.260 2.884 1.00 0.04 C ATOM 223 C TYR A 16 6.817 8.867 1.592 1.00 0.62 C ATOM 224 O TYR A 16 7.151 9.390 0.542 1.00 -0.50 O ATOM 225 CB TYR A 16 8.566 8.208 3.312 1.00 -0.10 C ATOM 226 CG TYR A 16 9.712 7.896 2.325 1.00 -0.03 C ATOM 227 CD1 TYR A 16 10.023 8.682 1.209 1.00 0.00 C ATOM 228 CD2 TYR A 16 10.495 6.760 2.562 1.00 0.00 C ATOM 229 CE1 TYR A 16 11.037 8.311 0.322 1.00 -0.26 C ATOM 230 CE2 TYR A 16 11.505 6.375 1.676 1.00 -0.26 C ATOM 231 CZ TYR A 16 11.779 7.145 0.546 1.00 0.46 C ATOM 232 OH TYR A 16 12.784 6.735 -0.336 1.00 -0.53 O ATOM 0 H TYR A 16 6.575 8.795 4.731 1.00 -0.46 H new ATOM 0 HA TYR A 16 8.028 10.202 2.733 1.00 0.04 H new ATOM 0 HB2 TYR A 16 9.013 8.546 4.247 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 8.046 7.274 3.527 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 9.469 9.592 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.315 6.169 3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.249 8.926 -0.540 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 12.075 5.478 1.867 1.00 -0.26 H new ATOM 0 HH TYR A 16 13.659 6.992 0.023 1.00 -0.53 H new ATOM 242 N VAL A 17 5.823 7.953 1.657 1.00 -0.46 N ATOM 243 CA VAL A 17 5.037 7.612 0.465 1.00 0.04 C ATOM 244 C VAL A 17 4.779 8.839 -0.381 1.00 0.62 C ATOM 245 O VAL A 17 5.134 8.839 -1.549 1.00 -0.50 O ATOM 246 CB VAL A 17 3.678 6.987 0.891 1.00 -0.01 C ATOM 247 CG1 VAL A 17 2.569 7.047 -0.196 1.00 -0.09 C ATOM 248 CG2 VAL A 17 3.864 5.529 1.378 1.00 -0.09 C ATOM 0 H VAL A 17 5.555 7.452 2.504 1.00 -0.46 H new ATOM 0 HA VAL A 17 5.607 6.894 -0.125 1.00 0.04 H new ATOM 0 HB VAL A 17 3.328 7.612 1.713 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 1.658 6.589 0.188 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 2.370 8.087 -0.456 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 2.900 6.508 -1.084 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 2.898 5.117 1.670 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 4.287 4.928 0.573 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 4.538 5.515 2.235 1.00 -0.09 H new ATOM 258 N GLN A 18 4.165 9.901 0.190 1.00 -0.46 N ATOM 259 CA GLN A 18 3.931 11.098 -0.611 1.00 0.04 C ATOM 260 C GLN A 18 5.266 11.717 -0.958 1.00 0.62 C ATOM 261 O GLN A 18 5.528 11.976 -2.123 1.00 -0.50 O ATOM 262 CB GLN A 18 3.045 12.161 0.095 1.00 -0.10 C ATOM 263 CG GLN A 18 1.570 11.702 0.265 1.00 -0.10 C ATOM 264 CD GLN A 18 0.751 12.741 0.998 1.00 0.68 C ATOM 265 OE1 GLN A 18 1.117 13.905 1.011 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -0.382 12.365 1.624 1.00 -0.87 N ATOM 0 H GLN A 18 3.841 9.945 1.156 1.00 -0.46 H new ATOM 0 HA GLN A 18 3.387 10.783 -1.501 1.00 0.04 H new ATOM 0 HB2 GLN A 18 3.466 12.385 1.075 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 3.068 13.086 -0.481 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 1.130 11.514 -0.715 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 1.541 10.760 0.813 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -0.675 11.388 1.605 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -0.946 13.057 2.117 1.00 -0.87 H new ATOM 275 N GLY A 19 6.113 11.960 0.066 1.00 -0.46 N ATOM 276 CA GLY A 19 7.403 12.607 -0.165 1.00 0.04 C ATOM 277 C GLY A 19 7.891 13.187 1.145 1.00 0.62 C ATOM 278 O GLY A 19 7.268 14.120 1.626 1.00 -0.50 O ATOM 0 H GLY A 19 5.923 11.720 1.039 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 8.124 11.887 -0.552 1.00 0.04 H new ATOM 0 HA3 GLY A 19 7.304 13.393 -0.914 1.00 0.04 H new ATOM 282 N GLY A 20 8.968 12.648 1.761 1.00 -0.46 N ATOM 283 CA GLY A 20 9.347 13.089 3.103 1.00 0.04 C ATOM 284 C GLY A 20 10.181 12.044 3.810 1.00 0.62 C ATOM 285 O GLY A 20 10.432 11.013 3.204 1.00 -0.50 O ATOM 0 H GLY A 20 9.568 11.929 1.357 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 9.908 14.021 3.037 1.00 0.04 H new ATOM 0 HA3 GLY A 20 8.450 13.297 3.686 1.00 0.04 H new ATOM 289 N PRO A 21 10.636 12.248 5.071 1.00 -0.23 N ATOM 290 CA PRO A 21 11.434 11.223 5.731 1.00 0.04 C ATOM 291 C PRO A 21 10.548 10.150 6.321 1.00 0.53 C ATOM 292 O PRO A 21 9.335 10.245 6.211 1.00 -0.50 O ATOM 293 CB PRO A 21 12.073 12.095 6.840 1.00 -0.12 C ATOM 294 CG PRO A 21 10.949 13.098 7.188 1.00 -0.12 C ATOM 295 CD PRO A 21 10.372 13.480 5.803 1.00 -0.01 C ATOM 0 HA PRO A 21 12.135 10.682 5.096 1.00 0.04 H new ATOM 0 HB2 PRO A 21 12.363 11.498 7.705 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 12.971 12.602 6.487 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 10.191 12.647 7.829 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 11.336 13.969 7.717 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 9.310 13.720 5.846 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 10.876 14.341 5.365 1.00 -0.01 H new ATOM 303 N GLY A 22 11.147 9.123 6.965 1.00 -0.46 N ATOM 304 CA GLY A 22 10.350 8.085 7.619 1.00 0.04 C ATOM 305 C GLY A 22 10.073 6.931 6.676 1.00 0.62 C ATOM 306 O GLY A 22 11.003 6.575 5.969 1.00 -0.50 O ATOM 0 H GLY A 22 12.157 9.000 7.040 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 10.877 7.719 8.500 1.00 0.04 H new ATOM 0 HA3 GLY A 22 9.408 8.510 7.965 1.00 0.04 H new ATOM 310 N PRO A 23 8.878 6.285 6.625 1.00 -0.23 N ATOM 311 CA PRO A 23 7.720 6.708 7.405 1.00 0.04 C ATOM 312 C PRO A 23 7.920 6.351 8.859 1.00 0.53 C ATOM 313 O PRO A 23 8.965 5.816 9.194 1.00 -0.50 O ATOM 314 CB PRO A 23 6.641 5.809 6.759 1.00 -0.12 C ATOM 315 CG PRO A 23 7.421 4.519 6.413 1.00 -0.12 C ATOM 316 CD PRO A 23 8.737 5.074 5.827 1.00 -0.01 C ATOM 0 HA PRO A 23 7.500 7.776 7.395 1.00 0.04 H new ATOM 0 HB2 PRO A 23 5.818 5.611 7.445 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 6.211 6.271 5.870 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 7.597 3.902 7.294 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.885 3.901 5.693 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 9.574 4.388 5.959 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 8.662 5.284 4.760 1.00 -0.01 H new ATOM 324 N SER A 24 6.941 6.630 9.748 1.00 -0.46 N ATOM 325 CA SER A 24 7.137 6.294 11.158 1.00 0.04 C ATOM 326 C SER A 24 7.210 4.793 11.353 1.00 0.62 C ATOM 327 O SER A 24 6.764 4.049 10.492 1.00 -0.50 O ATOM 328 CB SER A 24 6.028 6.912 12.052 1.00 0.02 C ATOM 329 OG SER A 24 4.734 6.395 11.704 1.00 -0.55 O ATOM 0 H SER A 24 6.048 7.068 9.520 1.00 -0.46 H new ATOM 0 HA SER A 24 8.089 6.726 11.467 1.00 0.04 H new ATOM 0 HB2 SER A 24 6.239 6.697 13.099 1.00 0.02 H new ATOM 0 HB3 SER A 24 6.031 7.996 11.943 1.00 0.02 H new ATOM 0 HG SER A 24 4.054 6.799 12.283 1.00 -0.55 H new ATOM 335 N GLY A 25 7.773 4.326 12.492 1.00 -0.46 N ATOM 336 CA GLY A 25 7.939 2.887 12.698 1.00 0.04 C ATOM 337 C GLY A 25 6.662 2.112 12.476 1.00 0.62 C ATOM 338 O GLY A 25 6.716 1.052 11.871 1.00 -0.50 O ATOM 0 H GLY A 25 8.108 4.913 13.256 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 8.707 2.514 12.021 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.295 2.709 13.713 1.00 0.04 H new ATOM 342 N GLN A 26 5.505 2.618 12.960 1.00 -0.46 N ATOM 343 CA GLN A 26 4.248 1.884 12.786 1.00 0.04 C ATOM 344 C GLN A 26 4.094 1.406 11.360 1.00 0.62 C ATOM 345 O GLN A 26 3.725 0.262 11.154 1.00 -0.50 O ATOM 346 CB GLN A 26 3.019 2.761 13.156 1.00 -0.10 C ATOM 347 CG GLN A 26 1.686 1.963 13.100 1.00 -0.10 C ATOM 348 CD GLN A 26 0.479 2.824 13.393 1.00 0.68 C ATOM 349 OE1 GLN A 26 0.612 4.025 13.565 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -0.731 2.233 13.447 1.00 -0.87 N ATOM 0 H GLN A 26 5.423 3.504 13.458 1.00 -0.46 H new ATOM 0 HA GLN A 26 4.288 1.027 13.458 1.00 0.04 H new ATOM 0 HB2 GLN A 26 3.154 3.168 14.158 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 2.961 3.608 12.473 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 1.577 1.515 12.112 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 1.727 1.145 13.819 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -0.814 1.227 13.300 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -1.563 2.792 13.635 1.00 -0.87 H new ATOM 359 N CYS A 27 4.376 2.254 10.345 1.00 -0.46 N ATOM 360 CA CYS A 27 4.276 1.776 8.968 1.00 0.04 C ATOM 361 C CYS A 27 5.357 0.756 8.690 1.00 0.62 C ATOM 362 O CYS A 27 5.051 -0.249 8.073 1.00 -0.50 O ATOM 363 CB CYS A 27 4.454 2.914 7.936 1.00 -0.10 C ATOM 364 SG CYS A 27 4.377 2.219 6.249 1.00 0.82 S ATOM 0 H CYS A 27 4.661 3.227 10.454 1.00 -0.46 H new ATOM 0 HA CYS A 27 3.280 1.345 8.867 1.00 0.04 H new ATOM 0 HB2 CYS A 27 3.675 3.665 8.068 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.409 3.415 8.092 1.00 -0.10 H new ATOM 369 N CYS A 28 6.624 0.995 9.097 1.00 -0.46 N ATOM 370 CA CYS A 28 7.687 0.033 8.785 1.00 0.04 C ATOM 371 C CYS A 28 7.331 -1.328 9.347 1.00 0.62 C ATOM 372 O CYS A 28 7.558 -2.320 8.673 1.00 -0.50 O ATOM 373 CB CYS A 28 9.050 0.530 9.334 1.00 -0.10 C ATOM 374 SG CYS A 28 10.485 -0.480 8.826 1.00 0.82 S ATOM 0 H CYS A 28 6.922 1.817 9.623 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.780 -0.057 7.703 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.208 1.556 9.003 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 9.003 0.550 10.423 1.00 -0.10 H new ATOM 379 N ASP A 29 6.756 -1.400 10.568 1.00 -0.46 N ATOM 380 CA ASP A 29 6.216 -2.675 11.038 1.00 0.04 C ATOM 381 C ASP A 29 5.066 -3.057 10.129 1.00 0.62 C ATOM 382 O ASP A 29 5.044 -4.160 9.606 1.00 -0.50 O ATOM 383 CB ASP A 29 5.725 -2.581 12.507 1.00 -0.40 C ATOM 384 CG ASP A 29 5.059 -3.877 12.881 1.00 0.71 C ATOM 385 OD1 ASP A 29 3.865 -4.050 12.512 1.00 -0.72 O ATOM 386 OD2 ASP A 29 5.724 -4.730 13.526 1.00 -0.72 O ATOM 0 H ASP A 29 6.660 -0.619 11.217 1.00 -0.46 H new ATOM 0 HA ASP A 29 7.001 -3.431 11.010 1.00 0.04 H new ATOM 0 HB2 ASP A 29 6.565 -2.382 13.173 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 5.026 -1.752 12.619 1.00 -0.40 H new ATOM 391 N GLY A 30 4.105 -2.129 9.921 1.00 -0.46 N ATOM 392 CA GLY A 30 2.966 -2.408 9.054 1.00 0.04 C ATOM 393 C GLY A 30 3.394 -3.083 7.775 1.00 0.62 C ATOM 394 O GLY A 30 2.731 -4.019 7.370 1.00 -0.50 O ATOM 0 H GLY A 30 4.105 -1.199 10.339 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 2.254 -3.043 9.581 1.00 0.04 H new ATOM 0 HA3 GLY A 30 2.450 -1.477 8.820 1.00 0.04 H new ATOM 398 N VAL A 31 4.487 -2.644 7.114 1.00 -0.46 N ATOM 399 CA VAL A 31 4.914 -3.281 5.861 1.00 0.04 C ATOM 400 C VAL A 31 4.811 -4.789 5.979 1.00 0.62 C ATOM 401 O VAL A 31 4.377 -5.429 5.033 1.00 -0.50 O ATOM 402 CB VAL A 31 6.350 -2.824 5.460 1.00 -0.01 C ATOM 403 CG1 VAL A 31 6.945 -3.731 4.351 1.00 -0.09 C ATOM 404 CG2 VAL A 31 6.359 -1.340 4.978 1.00 -0.09 C ATOM 0 H VAL A 31 5.074 -1.869 7.422 1.00 -0.46 H new ATOM 0 HA VAL A 31 4.246 -2.963 5.061 1.00 0.04 H new ATOM 0 HB VAL A 31 6.969 -2.909 6.353 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 7.946 -3.384 4.096 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 6.998 -4.759 4.711 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 6.310 -3.688 3.466 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 7.374 -1.052 4.706 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 5.707 -1.235 4.111 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 6.002 -0.695 5.780 1.00 -0.09 H new ATOM 414 N LYS A 32 5.187 -5.374 7.139 1.00 -0.46 N ATOM 415 CA LYS A 32 5.028 -6.818 7.311 1.00 0.04 C ATOM 416 C LYS A 32 3.549 -7.149 7.405 1.00 0.62 C ATOM 417 O LYS A 32 3.049 -7.909 6.589 1.00 -0.50 O ATOM 418 CB LYS A 32 5.750 -7.373 8.576 1.00 -0.10 C ATOM 419 CG LYS A 32 7.302 -7.451 8.480 1.00 -0.16 C ATOM 420 CD LYS A 32 8.001 -6.070 8.337 1.00 -0.18 C ATOM 421 CE LYS A 32 9.554 -6.166 8.374 1.00 -0.04 C ATOM 422 NZ LYS A 32 10.097 -6.712 9.643 1.00 -0.14 N ATOM 0 H LYS A 32 5.587 -4.882 7.938 1.00 -0.46 H new ATOM 0 HA LYS A 32 5.489 -7.292 6.444 1.00 0.04 H new ATOM 0 HB2 LYS A 32 5.487 -6.746 9.428 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 5.365 -8.371 8.784 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 7.685 -7.949 9.370 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 7.571 -8.072 7.626 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 7.694 -5.609 7.398 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 7.664 -5.414 9.140 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 9.888 -6.794 7.548 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 9.973 -5.173 8.209 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 11.136 -6.666 9.624 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 9.740 -6.152 10.443 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 9.796 -7.702 9.752 1.00 -0.14 H new ATOM 436 N ASN A 33 2.825 -6.596 8.406 1.00 -0.46 N ATOM 437 CA ASN A 33 1.425 -6.982 8.598 1.00 0.04 C ATOM 438 C ASN A 33 0.608 -6.633 7.369 1.00 0.62 C ATOM 439 O ASN A 33 -0.050 -7.502 6.821 1.00 -0.50 O ATOM 440 CB ASN A 33 0.816 -6.344 9.878 1.00 -0.09 C ATOM 441 CG ASN A 33 1.520 -6.875 11.105 1.00 0.68 C ATOM 442 OD1 ASN A 33 1.217 -7.987 11.507 1.00 -0.47 O ATOM 443 ND2 ASN A 33 2.463 -6.140 11.730 1.00 -0.87 N ATOM 0 H ASN A 33 3.179 -5.905 9.068 1.00 -0.46 H new ATOM 0 HA ASN A 33 1.395 -8.062 8.739 1.00 0.04 H new ATOM 0 HB2 ASN A 33 0.912 -5.259 9.835 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -0.249 -6.568 9.934 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 2.936 -6.512 12.554 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 2.703 -5.213 11.379 1.00 -0.87 H new ATOM 450 N LEU A 34 0.661 -5.361 6.919 1.00 -0.46 N ATOM 451 CA LEU A 34 -0.009 -4.933 5.688 1.00 0.04 C ATOM 452 C LEU A 34 -0.018 -6.026 4.634 1.00 0.62 C ATOM 453 O LEU A 34 -1.085 -6.354 4.140 1.00 -0.50 O ATOM 454 CB LEU A 34 0.680 -3.666 5.090 1.00 -0.06 C ATOM 455 CG LEU A 34 0.381 -2.331 5.854 1.00 -0.01 C ATOM 456 CD1 LEU A 34 1.443 -1.224 5.596 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -1.014 -1.770 5.461 1.00 -0.11 C ATOM 0 H LEU A 34 1.165 -4.615 7.398 1.00 -0.46 H new ATOM 0 HA LEU A 34 -1.039 -4.702 5.961 1.00 0.04 H new ATOM 0 HB2 LEU A 34 1.758 -3.828 5.078 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 0.363 -3.553 4.053 1.00 -0.06 H new ATOM 0 HG LEU A 34 0.409 -2.589 6.913 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 1.176 -0.327 6.154 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 2.422 -1.576 5.921 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 1.476 -0.993 4.531 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -1.200 -0.843 6.004 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -1.038 -1.574 4.389 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -1.784 -2.499 5.714 1.00 -0.11 H new ATOM 469 N HIS A 35 1.147 -6.610 4.262 1.00 -0.46 N ATOM 470 CA HIS A 35 1.128 -7.635 3.214 1.00 0.04 C ATOM 471 C HIS A 35 0.447 -8.887 3.725 1.00 0.62 C ATOM 472 O HIS A 35 -0.348 -9.473 3.007 1.00 -0.50 O ATOM 473 CB HIS A 35 2.536 -8.045 2.704 1.00 -0.10 C ATOM 474 CG HIS A 35 3.461 -6.895 2.411 1.00 0.06 C ATOM 475 ND1 HIS A 35 3.159 -5.638 2.270 1.00 -0.06 N ATOM 476 CD2 HIS A 35 4.783 -6.987 2.252 1.00 -0.04 C ATOM 477 CE1 HIS A 35 4.218 -4.918 2.052 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.197 -5.775 2.034 1.00 -0.06 N ATOM 0 H HIS A 35 2.064 -6.397 4.654 1.00 -0.46 H new ATOM 0 HA HIS A 35 0.587 -7.184 2.382 1.00 0.04 H new ATOM 0 HB2 HIS A 35 3.004 -8.688 3.449 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 2.420 -8.639 1.798 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 5.384 -7.883 2.296 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 4.273 -3.848 1.916 1.00 0.11 H new ATOM 0 HE2 HIS A 35 6.172 -5.525 1.869 1.00 -0.06 H new ATOM 487 N ASN A 36 0.760 -9.319 4.970 1.00 -0.46 N ATOM 488 CA ASN A 36 0.115 -10.516 5.514 1.00 0.04 C ATOM 489 C ASN A 36 -1.391 -10.397 5.391 1.00 0.62 C ATOM 490 O ASN A 36 -2.030 -11.359 4.997 1.00 -0.50 O ATOM 491 CB ASN A 36 0.484 -10.741 7.007 1.00 -0.09 C ATOM 492 CG ASN A 36 -0.018 -12.056 7.552 1.00 0.68 C ATOM 493 OD1 ASN A 36 -0.485 -12.893 6.798 1.00 -0.47 O ATOM 494 ND2 ASN A 36 0.074 -12.274 8.879 1.00 -0.87 N ATOM 0 H ASN A 36 1.432 -8.868 5.591 1.00 -0.46 H new ATOM 0 HA ASN A 36 0.473 -11.369 4.937 1.00 0.04 H new ATOM 0 HB2 ASN A 36 1.568 -10.700 7.117 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 0.072 -9.927 7.603 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -0.251 -13.156 9.275 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 0.469 -11.557 9.487 1.00 -0.87 H new ATOM 501 N GLN A 37 -1.964 -9.209 5.702 1.00 -0.46 N ATOM 502 CA GLN A 37 -3.411 -9.002 5.572 1.00 0.04 C ATOM 503 C GLN A 37 -3.823 -8.510 4.195 1.00 0.62 C ATOM 504 O GLN A 37 -4.782 -7.762 4.089 1.00 -0.50 O ATOM 505 CB GLN A 37 -3.963 -8.126 6.735 1.00 -0.10 C ATOM 506 CG GLN A 37 -3.504 -6.642 6.698 1.00 -0.10 C ATOM 507 CD GLN A 37 -4.046 -5.838 7.852 1.00 0.68 C ATOM 508 OE1 GLN A 37 -4.626 -6.390 8.773 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -3.855 -4.505 7.840 1.00 -0.87 N ATOM 0 H GLN A 37 -1.448 -8.396 6.039 1.00 -0.46 H new ATOM 0 HA GLN A 37 -3.884 -9.980 5.665 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -5.052 -8.157 6.711 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -3.653 -8.566 7.683 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -2.415 -6.602 6.712 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -3.827 -6.189 5.761 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -3.367 -4.067 7.059 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -4.198 -3.934 8.612 1.00 -0.87 H new ATOM 518 N ALA A 38 -3.124 -8.941 3.122 1.00 -0.46 N ATOM 519 CA ALA A 38 -3.570 -8.654 1.758 1.00 0.04 C ATOM 520 C ALA A 38 -3.207 -9.857 0.907 1.00 0.62 C ATOM 521 O ALA A 38 -2.488 -9.737 -0.072 1.00 -0.50 O ATOM 522 CB ALA A 38 -2.906 -7.356 1.264 1.00 -0.10 C ATOM 0 H ALA A 38 -2.261 -9.481 3.181 1.00 -0.46 H new ATOM 0 HA ALA A 38 -4.647 -8.493 1.702 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -3.238 -7.141 0.248 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -3.187 -6.531 1.919 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -1.823 -7.475 1.274 1.00 -0.10 H new ATOM 528 N ARG A 39 -3.701 -11.035 1.344 1.00 -0.46 N ATOM 529 CA ARG A 39 -3.265 -12.323 0.793 1.00 0.04 C ATOM 530 C ARG A 39 -4.408 -13.194 0.297 1.00 0.62 C ATOM 531 O ARG A 39 -4.238 -13.863 -0.709 1.00 -0.50 O ATOM 532 CB ARG A 39 -2.516 -12.995 1.979 1.00 -0.08 C ATOM 533 CG ARG A 39 -1.666 -14.243 1.602 1.00 -0.10 C ATOM 534 CD ARG A 39 -0.332 -13.917 0.867 1.00 -0.23 C ATOM 535 NE ARG A 39 0.606 -13.133 1.685 1.00 -0.32 N ATOM 536 CZ ARG A 39 1.781 -12.719 1.262 1.00 0.76 C ATOM 537 NH1 ARG A 39 2.246 -13.006 0.072 1.00 -0.62 N ATOM 538 NH2 ARG A 39 2.529 -11.993 2.058 1.00 -0.62 N ATOM 0 H ARG A 39 -4.404 -11.114 2.079 1.00 -0.46 H new ATOM 0 HA ARG A 39 -2.646 -12.184 -0.093 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -1.862 -12.255 2.441 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -3.248 -13.287 2.732 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -1.439 -14.800 2.511 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -2.265 -14.897 0.968 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 0.148 -14.849 0.569 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -0.554 -13.366 -0.047 1.00 -0.23 H new ATOM 0 HE ARG A 39 0.329 -12.896 2.638 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 1.691 -13.572 -0.569 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.163 -12.663 -0.213 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.198 -11.756 2.993 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 3.442 -11.666 1.742 1.00 -0.62 H new ATOM 552 N SER A 40 -5.583 -13.230 0.968 1.00 -0.46 N ATOM 553 CA SER A 40 -6.705 -14.038 0.481 1.00 0.04 C ATOM 554 C SER A 40 -7.334 -13.437 -0.759 1.00 0.62 C ATOM 555 O SER A 40 -7.152 -12.260 -1.020 1.00 -0.50 O ATOM 556 CB SER A 40 -7.775 -14.158 1.604 1.00 0.02 C ATOM 557 OG SER A 40 -8.917 -14.950 1.234 1.00 -0.55 O ATOM 0 H SER A 40 -5.769 -12.717 1.830 1.00 -0.46 H new ATOM 0 HA SER A 40 -6.323 -15.023 0.215 1.00 0.04 H new ATOM 0 HB2 SER A 40 -7.312 -14.595 2.489 1.00 0.02 H new ATOM 0 HB3 SER A 40 -8.111 -13.159 1.881 1.00 0.02 H new ATOM 0 HG SER A 40 -9.547 -14.985 1.984 1.00 -0.55 H new ATOM 563 N GLN A 41 -8.111 -14.213 -1.548 1.00 -0.46 N ATOM 564 CA GLN A 41 -8.846 -13.626 -2.675 1.00 0.04 C ATOM 565 C GLN A 41 -10.027 -12.835 -2.136 1.00 0.62 C ATOM 566 O GLN A 41 -11.165 -13.208 -2.370 1.00 -0.50 O ATOM 567 CB GLN A 41 -9.295 -14.742 -3.662 1.00 -0.10 C ATOM 568 CG GLN A 41 -8.080 -15.446 -4.329 1.00 -0.10 C ATOM 569 CD GLN A 41 -8.467 -16.745 -4.998 1.00 0.68 C ATOM 570 OE1 GLN A 41 -7.920 -17.779 -4.648 1.00 -0.47 O ATOM 571 NE2 GLN A 41 -9.404 -16.748 -5.967 1.00 -0.87 N ATOM 0 H GLN A 41 -8.239 -15.217 -1.426 1.00 -0.46 H new ATOM 0 HA GLN A 41 -8.202 -12.945 -3.232 1.00 0.04 H new ATOM 0 HB2 GLN A 41 -9.894 -15.480 -3.128 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 -9.933 -14.310 -4.433 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 -7.636 -14.778 -5.067 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 -7.317 -15.641 -3.575 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 -9.851 -15.875 -6.247 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 -9.666 -17.623 -6.420 1.00 -0.87 H new ATOM 580 N SER A 42 -9.765 -11.728 -1.402 1.00 -0.46 N ATOM 581 CA SER A 42 -10.838 -10.940 -0.785 1.00 0.04 C ATOM 582 C SER A 42 -10.265 -9.690 -0.141 1.00 0.62 C ATOM 583 O SER A 42 -10.629 -8.592 -0.534 1.00 -0.50 O ATOM 584 CB SER A 42 -11.611 -11.756 0.285 1.00 0.02 C ATOM 585 OG SER A 42 -12.484 -10.899 1.041 1.00 -0.55 O ATOM 0 H SER A 42 -8.826 -11.369 -1.228 1.00 -0.46 H new ATOM 0 HA SER A 42 -11.535 -10.666 -1.577 1.00 0.04 H new ATOM 0 HB2 SER A 42 -12.192 -12.541 -0.198 1.00 0.02 H new ATOM 0 HB3 SER A 42 -10.906 -12.248 0.955 1.00 0.02 H new ATOM 0 HG SER A 42 -12.965 -11.430 1.710 1.00 -0.55 H new ATOM 591 N ASP A 43 -9.334 -9.832 0.830 1.00 -0.46 N ATOM 592 CA ASP A 43 -8.604 -8.665 1.325 1.00 0.04 C ATOM 593 C ASP A 43 -7.828 -8.086 0.158 1.00 0.62 C ATOM 594 O ASP A 43 -7.848 -6.882 -0.033 1.00 -0.50 O ATOM 595 CB ASP A 43 -7.681 -9.043 2.519 1.00 -0.40 C ATOM 596 CG ASP A 43 -6.741 -10.181 2.231 1.00 0.71 C ATOM 597 OD1 ASP A 43 -6.899 -10.828 1.166 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -5.833 -10.459 3.059 1.00 -0.72 O ATOM 0 H ASP A 43 -9.083 -10.718 1.269 1.00 -0.46 H new ATOM 0 HA ASP A 43 -9.294 -7.915 1.713 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -7.098 -8.168 2.805 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -8.302 -9.306 3.375 1.00 -0.40 H new ATOM 603 N ARG A 44 -7.167 -8.932 -0.664 1.00 -0.46 N ATOM 604 CA ARG A 44 -6.536 -8.439 -1.890 1.00 0.04 C ATOM 605 C ARG A 44 -7.540 -7.643 -2.707 1.00 0.62 C ATOM 606 O ARG A 44 -7.230 -6.550 -3.157 1.00 -0.50 O ATOM 607 CB ARG A 44 -6.042 -9.604 -2.798 1.00 -0.08 C ATOM 608 CG ARG A 44 -4.881 -10.438 -2.188 1.00 -0.10 C ATOM 609 CD ARG A 44 -4.586 -11.690 -3.057 1.00 -0.23 C ATOM 610 NE ARG A 44 -4.267 -11.345 -4.447 1.00 -0.32 N ATOM 611 CZ ARG A 44 -3.049 -11.285 -4.948 1.00 0.76 C ATOM 612 NH1 ARG A 44 -1.959 -11.420 -4.236 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -2.907 -11.079 -6.235 1.00 -0.62 N ATOM 0 H ARG A 44 -7.062 -9.933 -0.500 1.00 -0.46 H new ATOM 0 HA ARG A 44 -5.690 -7.826 -1.580 1.00 0.04 H new ATOM 0 HB2 ARG A 44 -6.881 -10.268 -3.007 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 -5.716 -9.192 -3.753 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -3.985 -9.822 -2.114 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -5.141 -10.746 -1.175 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -3.753 -12.242 -2.622 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -5.451 -12.353 -3.040 1.00 -0.23 H new ATOM 0 HE ARG A 44 -5.045 -11.136 -5.072 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -2.023 -11.582 -3.231 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.045 -11.363 -4.686 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -3.730 -10.969 -6.828 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.974 -11.029 -6.644 1.00 -0.62 H new ATOM 627 N GLN A 45 -8.758 -8.192 -2.920 1.00 -0.46 N ATOM 628 CA GLN A 45 -9.743 -7.515 -3.767 1.00 0.04 C ATOM 629 C GLN A 45 -10.104 -6.167 -3.179 1.00 0.62 C ATOM 630 O GLN A 45 -10.031 -5.157 -3.864 1.00 -0.50 O ATOM 631 CB GLN A 45 -11.035 -8.373 -3.929 1.00 -0.10 C ATOM 632 CG GLN A 45 -11.937 -7.866 -5.091 1.00 -0.10 C ATOM 633 CD GLN A 45 -11.403 -8.233 -6.455 1.00 0.68 C ATOM 634 OE1 GLN A 45 -10.541 -9.089 -6.558 1.00 -0.47 O ATOM 635 NE2 GLN A 45 -11.905 -7.616 -7.543 1.00 -0.87 N ATOM 0 H GLN A 45 -9.069 -9.079 -2.525 1.00 -0.46 H new ATOM 0 HA GLN A 45 -9.293 -7.376 -4.750 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -10.759 -9.411 -4.113 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -11.601 -8.354 -2.998 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -12.938 -8.282 -4.975 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -12.032 -6.782 -5.024 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -12.626 -6.902 -7.437 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -11.564 -7.863 -8.472 1.00 -0.87 H new ATOM 644 N SER A 46 -10.507 -6.146 -1.888 1.00 -0.46 N ATOM 645 CA SER A 46 -10.938 -4.895 -1.266 1.00 0.04 C ATOM 646 C SER A 46 -9.782 -3.928 -1.226 1.00 0.62 C ATOM 647 O SER A 46 -9.948 -2.766 -1.568 1.00 -0.50 O ATOM 648 CB SER A 46 -11.427 -5.114 0.193 1.00 0.02 C ATOM 649 OG SER A 46 -12.653 -5.862 0.236 1.00 -0.55 O ATOM 0 H SER A 46 -10.539 -6.963 -1.279 1.00 -0.46 H new ATOM 0 HA SER A 46 -11.762 -4.503 -1.862 1.00 0.04 H new ATOM 0 HB2 SER A 46 -10.659 -5.641 0.759 1.00 0.02 H new ATOM 0 HB3 SER A 46 -11.573 -4.148 0.677 1.00 0.02 H new ATOM 0 HG SER A 46 -12.930 -5.982 1.168 1.00 -0.55 H new ATOM 655 N ALA A 47 -8.596 -4.403 -0.797 1.00 -0.46 N ATOM 656 CA ALA A 47 -7.449 -3.513 -0.702 1.00 0.04 C ATOM 657 C ALA A 47 -7.134 -2.900 -2.039 1.00 0.62 C ATOM 658 O ALA A 47 -6.983 -1.693 -2.114 1.00 -0.50 O ATOM 659 CB ALA A 47 -6.195 -4.225 -0.142 1.00 -0.10 C ATOM 0 H ALA A 47 -8.421 -5.369 -0.521 1.00 -0.46 H new ATOM 0 HA ALA A 47 -7.724 -2.725 -0.000 1.00 0.04 H new ATOM 0 HB1 ALA A 47 -5.367 -3.518 -0.091 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 -6.409 -4.606 0.857 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 -5.924 -5.054 -0.796 1.00 -0.10 H new ATOM 665 N CYS A 48 -7.036 -3.697 -3.122 1.00 -0.46 N ATOM 666 CA CYS A 48 -6.701 -3.092 -4.408 1.00 0.04 C ATOM 667 C CYS A 48 -7.731 -2.033 -4.754 1.00 0.62 C ATOM 668 O CYS A 48 -7.361 -0.988 -5.268 1.00 -0.50 O ATOM 669 CB CYS A 48 -6.583 -4.175 -5.513 1.00 -0.10 C ATOM 670 SG CYS A 48 -5.558 -3.580 -6.897 1.00 0.82 S ATOM 0 H CYS A 48 -7.177 -4.707 -3.129 1.00 -0.46 H new ATOM 0 HA CYS A 48 -5.727 -2.607 -4.338 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -6.146 -5.082 -5.095 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -7.576 -4.439 -5.877 1.00 -0.10 H new ATOM 675 N ASN A 49 -9.034 -2.273 -4.486 1.00 -0.46 N ATOM 676 CA ASN A 49 -10.041 -1.253 -4.791 1.00 0.04 C ATOM 677 C ASN A 49 -9.865 -0.031 -3.906 1.00 0.62 C ATOM 678 O ASN A 49 -9.687 1.059 -4.429 1.00 -0.50 O ATOM 679 CB ASN A 49 -11.473 -1.841 -4.664 1.00 -0.09 C ATOM 680 CG ASN A 49 -11.692 -3.010 -5.596 1.00 0.68 C ATOM 681 OD1 ASN A 49 -10.851 -3.293 -6.434 1.00 -0.47 O ATOM 682 ND2 ASN A 49 -12.834 -3.716 -5.482 1.00 -0.87 N ATOM 0 H ASN A 49 -9.396 -3.133 -4.074 1.00 -0.46 H new ATOM 0 HA ASN A 49 -9.900 -0.933 -5.824 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -11.643 -2.161 -3.636 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -12.205 -1.063 -4.881 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -13.010 -4.505 -6.104 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -13.523 -3.461 -4.774 1.00 -0.87 H new ATOM 689 N CYS A 50 -9.899 -0.179 -2.560 1.00 -0.46 N ATOM 690 CA CYS A 50 -9.683 0.978 -1.683 1.00 0.04 C ATOM 691 C CYS A 50 -8.420 1.706 -2.089 1.00 0.62 C ATOM 692 O CYS A 50 -8.408 2.926 -2.127 1.00 -0.50 O ATOM 693 CB CYS A 50 -9.504 0.551 -0.199 1.00 -0.10 C ATOM 694 SG CYS A 50 -11.072 -0.045 0.513 1.00 0.82 S ATOM 0 H CYS A 50 -10.069 -1.061 -2.077 1.00 -0.46 H new ATOM 0 HA CYS A 50 -10.562 1.615 -1.780 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -8.751 -0.234 -0.133 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -9.136 1.396 0.383 1.00 -0.10 H new ATOM 699 N LEU A 51 -7.341 0.953 -2.389 1.00 -0.46 N ATOM 700 CA LEU A 51 -6.055 1.576 -2.683 1.00 0.04 C ATOM 701 C LEU A 51 -6.167 2.638 -3.748 1.00 0.62 C ATOM 702 O LEU A 51 -5.607 3.707 -3.566 1.00 -0.50 O ATOM 703 CB LEU A 51 -5.032 0.509 -3.156 1.00 -0.06 C ATOM 704 CG LEU A 51 -3.616 1.056 -3.491 1.00 -0.01 C ATOM 705 CD1 LEU A 51 -3.010 1.806 -2.278 1.00 -0.11 C ATOM 706 CD2 LEU A 51 -2.718 -0.146 -3.892 1.00 -0.11 C ATOM 0 H LEU A 51 -7.343 -0.066 -2.431 1.00 -0.46 H new ATOM 0 HA LEU A 51 -5.716 2.045 -1.759 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -4.937 -0.250 -2.380 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -5.431 0.012 -4.040 1.00 -0.06 H new ATOM 0 HG LEU A 51 -3.681 1.769 -4.313 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 -2.019 2.179 -2.539 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -3.654 2.644 -2.009 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -2.930 1.124 -1.432 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 -1.717 0.212 -4.132 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -2.662 -0.851 -3.063 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -3.144 -0.644 -4.763 1.00 -0.11 H new ATOM 718 N LYS A 52 -6.876 2.389 -4.871 1.00 -0.46 N ATOM 719 CA LYS A 52 -6.985 3.449 -5.873 1.00 0.04 C ATOM 720 C LYS A 52 -7.690 4.631 -5.244 1.00 0.62 C ATOM 721 O LYS A 52 -7.229 5.753 -5.384 1.00 -0.50 O ATOM 722 CB LYS A 52 -7.663 3.011 -7.202 1.00 -0.10 C ATOM 723 CG LYS A 52 -6.821 1.912 -7.909 1.00 -0.16 C ATOM 724 CD LYS A 52 -7.227 1.622 -9.384 1.00 -0.18 C ATOM 725 CE LYS A 52 -6.719 2.662 -10.429 1.00 -0.04 C ATOM 726 NZ LYS A 52 -5.254 2.617 -10.675 1.00 -0.14 N ATOM 0 H LYS A 52 -7.352 1.515 -5.092 1.00 -0.46 H new ATOM 0 HA LYS A 52 -5.974 3.724 -6.174 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -8.665 2.634 -6.998 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.774 3.872 -7.861 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -5.772 2.209 -7.888 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -6.903 0.988 -7.337 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -6.849 0.638 -9.661 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.314 1.574 -9.442 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -7.239 2.495 -11.372 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -6.988 3.662 -10.089 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -4.948 3.510 -11.111 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -4.754 2.483 -9.773 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -5.033 1.826 -11.314 1.00 -0.14 H new ATOM 740 N GLY A 53 -8.804 4.394 -4.518 1.00 -0.46 N ATOM 741 CA GLY A 53 -9.465 5.504 -3.835 1.00 0.04 C ATOM 742 C GLY A 53 -8.518 6.259 -2.927 1.00 0.62 C ATOM 743 O GLY A 53 -8.575 7.479 -2.901 1.00 -0.50 O ATOM 0 H GLY A 53 -9.243 3.481 -4.398 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 -9.880 6.189 -4.575 1.00 0.04 H new ATOM 0 HA3 GLY A 53 -10.301 5.122 -3.249 1.00 0.04 H new ATOM 747 N ILE A 54 -7.651 5.557 -2.159 1.00 -0.46 N ATOM 748 CA ILE A 54 -6.769 6.248 -1.215 1.00 0.04 C ATOM 749 C ILE A 54 -5.562 6.801 -1.948 1.00 0.62 C ATOM 750 O ILE A 54 -5.386 8.008 -1.993 1.00 -0.50 O ATOM 751 CB ILE A 54 -6.331 5.333 -0.025 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -7.569 4.809 0.771 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -5.348 6.103 0.907 1.00 -0.09 C ATOM 754 CD1 ILE A 54 -7.242 3.620 1.718 1.00 -0.09 C ATOM 0 H ILE A 54 -7.551 4.542 -2.179 1.00 -0.46 H new ATOM 0 HA ILE A 54 -7.333 7.072 -0.778 1.00 0.04 H new ATOM 0 HB ILE A 54 -5.814 4.463 -0.430 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 -7.985 5.627 1.359 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 -8.340 4.499 0.065 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 -5.049 5.458 1.733 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -4.466 6.399 0.340 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 -5.841 6.991 1.301 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 -8.148 3.309 2.238 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 -6.854 2.786 1.134 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 -6.494 3.931 2.447 1.00 -0.09 H new ATOM 766 N ALA A 55 -4.693 5.934 -2.512 1.00 -0.46 N ATOM 767 CA ALA A 55 -3.419 6.407 -3.053 1.00 0.04 C ATOM 768 C ALA A 55 -3.586 7.115 -4.378 1.00 0.62 C ATOM 769 O ALA A 55 -3.144 8.245 -4.502 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.430 5.228 -3.233 1.00 -0.10 C ATOM 0 H ALA A 55 -4.852 4.930 -2.599 1.00 -0.46 H new ATOM 0 HA ALA A 55 -3.021 7.121 -2.331 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -1.489 5.601 -3.636 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -2.249 4.754 -2.268 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -2.856 4.498 -3.921 1.00 -0.10 H new ATOM 776 N ARG A 56 -4.207 6.472 -5.393 1.00 -0.46 N ATOM 777 CA ARG A 56 -4.298 7.109 -6.710 1.00 0.04 C ATOM 778 C ARG A 56 -5.031 8.421 -6.537 1.00 0.62 C ATOM 779 O ARG A 56 -4.576 9.435 -7.044 1.00 -0.50 O ATOM 780 CB ARG A 56 -4.953 6.173 -7.772 1.00 -0.08 C ATOM 781 CG ARG A 56 -4.711 6.587 -9.255 1.00 -0.10 C ATOM 782 CD ARG A 56 -5.619 7.740 -9.763 1.00 -0.23 C ATOM 783 NE ARG A 56 -5.254 8.068 -11.149 1.00 -0.32 N ATOM 784 CZ ARG A 56 -5.681 7.424 -12.215 1.00 0.76 C ATOM 785 NH1 ARG A 56 -6.489 6.394 -12.164 1.00 -0.62 N ATOM 786 NH2 ARG A 56 -5.279 7.827 -13.397 1.00 -0.62 N ATOM 0 H ARG A 56 -4.635 5.549 -5.325 1.00 -0.46 H new ATOM 0 HA ARG A 56 -3.301 7.307 -7.103 1.00 0.04 H new ATOM 0 HB2 ARG A 56 -4.573 5.162 -7.626 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 -6.027 6.139 -7.591 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 -3.669 6.886 -9.369 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 -4.864 5.715 -9.891 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 -6.667 7.444 -9.711 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 -5.503 8.617 -9.127 1.00 -0.23 H new ATOM 0 HE ARG A 56 -4.622 8.855 -11.296 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 -6.821 6.051 -11.263 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 -6.786 5.935 -13.025 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 -4.648 8.625 -13.477 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 -5.597 7.343 -14.236 1.00 -0.62 H new ATOM 800 N GLY A 57 -6.164 8.429 -5.797 1.00 -0.46 N ATOM 801 CA GLY A 57 -6.868 9.687 -5.552 1.00 0.04 C ATOM 802 C GLY A 57 -5.932 10.809 -5.154 1.00 0.62 C ATOM 803 O GLY A 57 -6.063 11.908 -5.674 1.00 -0.50 O ATOM 0 H GLY A 57 -6.591 7.603 -5.376 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -7.413 9.975 -6.451 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -7.607 9.538 -4.765 1.00 0.04 H new ATOM 807 N ILE A 58 -4.973 10.560 -4.231 1.00 -0.46 N ATOM 808 CA ILE A 58 -4.033 11.623 -3.863 1.00 0.04 C ATOM 809 C ILE A 58 -3.218 11.930 -5.103 1.00 0.62 C ATOM 810 O ILE A 58 -2.640 11.014 -5.664 1.00 -0.50 O ATOM 811 CB ILE A 58 -3.093 11.256 -2.678 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -3.913 10.999 -1.375 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -2.023 12.368 -2.456 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -3.149 10.122 -0.347 1.00 -0.09 C ATOM 0 H ILE A 58 -4.839 9.670 -3.751 1.00 -0.46 H new ATOM 0 HA ILE A 58 -4.602 12.485 -3.513 1.00 0.04 H new ATOM 0 HB ILE A 58 -2.572 10.333 -2.932 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.164 11.955 -0.915 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.854 10.512 -1.633 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -1.377 12.090 -1.623 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -1.423 12.481 -3.359 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -2.520 13.312 -2.231 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.768 9.977 0.538 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -2.921 9.154 -0.793 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -2.221 10.619 -0.064 1.00 -0.09 H new ATOM 826 N HIS A 59 -3.161 13.202 -5.560 1.00 -0.46 N ATOM 827 CA HIS A 59 -2.478 13.496 -6.821 1.00 0.04 C ATOM 828 C HIS A 59 -0.986 13.612 -6.587 1.00 0.62 C ATOM 829 O HIS A 59 -0.220 12.922 -7.241 1.00 -0.50 O ATOM 830 CB HIS A 59 -3.032 14.799 -7.460 1.00 -0.10 C ATOM 831 CG HIS A 59 -4.438 14.651 -7.995 1.00 0.06 C ATOM 832 ND1 HIS A 59 -5.398 13.896 -7.540 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -4.942 15.293 -9.054 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -6.485 14.017 -8.242 1.00 0.11 C ATOM 835 NE2 HIS A 59 -6.172 14.881 -9.162 1.00 -0.06 N ATOM 0 H HIS A 59 -3.567 14.009 -5.087 1.00 -0.46 H new ATOM 0 HA HIS A 59 -2.664 12.676 -7.515 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -3.016 15.596 -6.716 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -2.372 15.107 -8.271 1.00 -0.10 H new ATOM 0 HD1 HIS A 59 -5.307 13.283 -6.730 1.00 -0.06 H new ATOM 0 HD2 HIS A 59 -4.434 16.005 -9.688 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -7.430 13.516 -8.095 1.00 0.11 H new ATOM 844 N ASN A 60 -0.548 14.489 -5.656 1.00 -0.46 N ATOM 845 CA ASN A 60 0.887 14.663 -5.426 1.00 0.04 C ATOM 846 C ASN A 60 1.414 13.499 -4.615 1.00 0.62 C ATOM 847 O ASN A 60 1.641 13.663 -3.426 1.00 -0.50 O ATOM 848 CB ASN A 60 1.141 16.031 -4.737 1.00 -0.09 C ATOM 849 CG ASN A 60 0.596 17.133 -5.613 1.00 0.68 C ATOM 850 OD1 ASN A 60 -0.484 17.632 -5.339 1.00 -0.47 O ATOM 851 ND2 ASN A 60 1.306 17.529 -6.688 1.00 -0.87 N ATOM 0 H ASN A 60 -1.153 15.067 -5.073 1.00 -0.46 H new ATOM 0 HA ASN A 60 1.427 14.671 -6.373 1.00 0.04 H new ATOM 0 HB2 ASN A 60 0.660 16.055 -3.759 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 2.208 16.176 -4.570 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 0.944 18.263 -7.296 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 2.206 17.095 -6.893 1.00 -0.87 H new ATOM 858 N LEU A 61 1.612 12.319 -5.251 1.00 -0.46 N ATOM 859 CA LEU A 61 2.121 11.144 -4.540 1.00 0.04 C ATOM 860 C LEU A 61 3.271 10.548 -5.330 1.00 0.62 C ATOM 861 O LEU A 61 3.043 10.166 -6.467 1.00 -0.50 O ATOM 862 CB LEU A 61 0.947 10.141 -4.372 1.00 -0.06 C ATOM 863 CG LEU A 61 1.233 8.972 -3.381 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -0.029 8.076 -3.256 1.00 -0.11 C ATOM 865 CD2 LEU A 61 2.457 8.115 -3.809 1.00 -0.11 C ATOM 0 H LEU A 61 1.427 12.166 -6.242 1.00 -0.46 H new ATOM 0 HA LEU A 61 2.501 11.404 -3.552 1.00 0.04 H new ATOM 0 HB2 LEU A 61 0.067 10.685 -4.028 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 0.701 9.722 -5.348 1.00 -0.06 H new ATOM 0 HG LEU A 61 1.476 9.413 -2.414 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 0.172 7.259 -2.563 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -0.862 8.671 -2.883 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -0.284 7.668 -4.234 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 2.612 7.315 -3.085 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 2.273 7.683 -4.793 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 3.346 8.745 -3.850 1.00 -0.11 H new ATOM 877 N ASN A 62 4.503 10.446 -4.777 1.00 -0.46 N ATOM 878 CA ASN A 62 5.594 9.825 -5.533 1.00 0.04 C ATOM 879 C ASN A 62 5.394 8.322 -5.599 1.00 0.62 C ATOM 880 O ASN A 62 5.842 7.622 -4.703 1.00 -0.50 O ATOM 881 CB ASN A 62 6.962 10.162 -4.881 1.00 -0.09 C ATOM 882 CG ASN A 62 8.122 9.591 -5.661 1.00 0.68 C ATOM 883 OD1 ASN A 62 7.919 8.903 -6.648 1.00 -0.47 O ATOM 884 ND2 ASN A 62 9.375 9.853 -5.242 1.00 -0.87 N ATOM 0 H ASN A 62 4.752 10.775 -3.844 1.00 -0.46 H new ATOM 0 HA ASN A 62 5.588 10.222 -6.548 1.00 0.04 H new ATOM 0 HB2 ASN A 62 7.072 11.244 -4.810 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 6.983 9.772 -3.863 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 10.173 9.474 -5.752 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 9.526 10.430 -4.415 1.00 -0.87 H new ATOM 891 N GLU A 63 4.733 7.787 -6.653 1.00 -0.46 N ATOM 892 CA GLU A 63 4.541 6.340 -6.725 1.00 0.04 C ATOM 893 C GLU A 63 5.851 5.585 -6.663 1.00 0.62 C ATOM 894 O GLU A 63 5.850 4.469 -6.165 1.00 -0.50 O ATOM 895 CB GLU A 63 3.711 5.844 -7.948 1.00 -0.18 C ATOM 896 CG GLU A 63 4.429 5.918 -9.328 1.00 -0.40 C ATOM 897 CD GLU A 63 4.470 7.306 -9.911 1.00 0.71 C ATOM 898 OE1 GLU A 63 4.945 8.234 -9.205 1.00 -0.72 O ATOM 899 OE2 GLU A 63 4.026 7.474 -11.082 1.00 -0.72 O ATOM 0 H GLU A 63 4.342 8.319 -7.430 1.00 -0.46 H new ATOM 0 HA GLU A 63 3.947 6.119 -5.838 1.00 0.04 H new ATOM 0 HB2 GLU A 63 3.416 4.810 -7.768 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 2.795 6.432 -8.004 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 5.449 5.548 -9.218 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 3.923 5.253 -10.028 1.00 -0.40 H new ATOM 906 N ASP A 64 6.981 6.134 -7.165 1.00 -0.46 N ATOM 907 CA ASP A 64 8.211 5.344 -7.187 1.00 0.04 C ATOM 908 C ASP A 64 8.740 5.082 -5.794 1.00 0.62 C ATOM 909 O ASP A 64 8.903 3.924 -5.438 1.00 -0.50 O ATOM 910 CB ASP A 64 9.313 5.968 -8.080 1.00 -0.40 C ATOM 911 CG ASP A 64 10.465 5.000 -8.163 1.00 0.71 C ATOM 912 OD1 ASP A 64 10.389 4.059 -9.005 1.00 -0.72 O ATOM 913 OD2 ASP A 64 11.436 5.158 -7.379 1.00 -0.72 O ATOM 0 H ASP A 64 7.058 7.079 -7.542 1.00 -0.46 H new ATOM 0 HA ASP A 64 7.938 4.388 -7.634 1.00 0.04 H new ATOM 0 HB2 ASP A 64 8.921 6.177 -9.075 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 9.646 6.918 -7.663 1.00 -0.40 H new ATOM 918 N ASN A 65 9.026 6.114 -4.965 1.00 -0.46 N ATOM 919 CA ASN A 65 9.521 5.806 -3.625 1.00 0.04 C ATOM 920 C ASN A 65 8.469 4.990 -2.910 1.00 0.62 C ATOM 921 O ASN A 65 8.827 4.039 -2.233 1.00 -0.50 O ATOM 922 CB ASN A 65 10.052 7.000 -2.785 1.00 -0.09 C ATOM 923 CG ASN A 65 9.055 8.037 -2.330 1.00 0.68 C ATOM 924 OD1 ASN A 65 9.148 9.175 -2.760 1.00 -0.47 O ATOM 925 ND2 ASN A 65 8.106 7.708 -1.434 1.00 -0.87 N ATOM 0 H ASN A 65 8.927 7.104 -5.190 1.00 -0.46 H new ATOM 0 HA ASN A 65 10.435 5.226 -3.753 1.00 0.04 H new ATOM 0 HB2 ASN A 65 10.542 6.595 -1.900 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 10.819 7.507 -3.370 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 7.450 8.415 -1.104 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 8.043 6.751 -1.086 1.00 -0.87 H new ATOM 932 N ALA A 66 7.164 5.310 -3.067 1.00 -0.46 N ATOM 933 CA ALA A 66 6.136 4.464 -2.458 1.00 0.04 C ATOM 934 C ALA A 66 6.337 3.015 -2.856 1.00 0.62 C ATOM 935 O ALA A 66 6.324 2.149 -1.997 1.00 -0.50 O ATOM 936 CB ALA A 66 4.713 4.923 -2.863 1.00 -0.10 C ATOM 0 H ALA A 66 6.817 6.115 -3.589 1.00 -0.46 H new ATOM 0 HA ALA A 66 6.233 4.558 -1.376 1.00 0.04 H new ATOM 0 HB1 ALA A 66 3.974 4.274 -2.394 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 4.555 5.950 -2.534 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 4.608 4.869 -3.947 1.00 -0.10 H new ATOM 942 N ARG A 67 6.540 2.737 -4.162 1.00 -0.46 N ATOM 943 CA ARG A 67 6.812 1.367 -4.609 1.00 0.04 C ATOM 944 C ARG A 67 8.102 0.829 -4.021 1.00 0.62 C ATOM 945 O ARG A 67 8.171 -0.362 -3.760 1.00 -0.50 O ATOM 946 CB ARG A 67 6.865 1.326 -6.164 1.00 -0.08 C ATOM 947 CG ARG A 67 7.307 -0.048 -6.733 1.00 -0.10 C ATOM 948 CD ARG A 67 7.118 -0.118 -8.280 1.00 -0.23 C ATOM 949 NE ARG A 67 7.141 1.186 -8.965 1.00 -0.32 N ATOM 950 CZ ARG A 67 8.219 1.913 -9.172 1.00 0.76 C ATOM 951 NH1 ARG A 67 9.411 1.565 -8.758 1.00 -0.62 N ATOM 952 NH2 ARG A 67 8.105 3.047 -9.821 1.00 -0.62 N ATOM 0 H ARG A 67 6.520 3.433 -4.907 1.00 -0.46 H new ATOM 0 HA ARG A 67 6.003 0.728 -4.255 1.00 0.04 H new ATOM 0 HB2 ARG A 67 5.880 1.574 -6.560 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 7.553 2.094 -6.516 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 8.354 -0.225 -6.486 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 6.729 -0.841 -6.259 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 7.903 -0.747 -8.700 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 6.168 -0.608 -8.494 1.00 -0.23 H new ATOM 0 HE ARG A 67 6.253 1.554 -9.305 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 9.539 0.691 -8.247 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 10.212 2.167 -8.946 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 7.192 3.353 -10.156 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 8.930 3.623 -9.990 1.00 -0.62 H new ATOM 966 N SER A 68 9.138 1.670 -3.805 1.00 -0.46 N ATOM 967 CA SER A 68 10.391 1.175 -3.227 1.00 0.04 C ATOM 968 C SER A 68 10.322 1.003 -1.721 1.00 0.62 C ATOM 969 O SER A 68 11.092 0.215 -1.196 1.00 -0.50 O ATOM 970 CB SER A 68 11.577 2.119 -3.560 1.00 0.02 C ATOM 971 OG SER A 68 11.751 2.294 -4.978 1.00 -0.55 O ATOM 0 H SER A 68 9.127 2.667 -4.018 1.00 -0.46 H new ATOM 0 HA SER A 68 10.551 0.196 -3.678 1.00 0.04 H new ATOM 0 HB2 SER A 68 11.408 3.090 -3.094 1.00 0.02 H new ATOM 0 HB3 SER A 68 12.493 1.714 -3.130 1.00 0.02 H new ATOM 0 HG SER A 68 10.982 2.778 -5.345 1.00 -0.55 H new ATOM 977 N ILE A 69 9.441 1.713 -0.979 1.00 -0.46 N ATOM 978 CA ILE A 69 9.375 1.519 0.475 1.00 0.04 C ATOM 979 C ILE A 69 9.243 0.062 0.896 1.00 0.62 C ATOM 980 O ILE A 69 10.055 -0.344 1.713 1.00 -0.50 O ATOM 981 CB ILE A 69 8.297 2.417 1.168 1.00 -0.01 C ATOM 982 CG1 ILE A 69 8.763 3.906 1.218 1.00 -0.05 C ATOM 983 CG2 ILE A 69 7.948 1.905 2.599 1.00 -0.09 C ATOM 984 CD1 ILE A 69 7.628 4.900 1.585 1.00 -0.09 C ATOM 0 H ILE A 69 8.789 2.402 -1.354 1.00 -0.46 H new ATOM 0 HA ILE A 69 10.348 1.853 0.836 1.00 0.04 H new ATOM 0 HB ILE A 69 7.390 2.356 0.566 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 9.568 4.002 1.946 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 9.176 4.182 0.248 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 7.196 2.556 3.045 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 7.558 0.889 2.537 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 8.846 1.911 3.217 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 8.024 5.915 1.601 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 6.832 4.833 0.844 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 7.230 4.651 2.569 1.00 -0.09 H new ATOM 996 N PRO A 70 8.274 -0.782 0.455 1.00 -0.23 N ATOM 997 CA PRO A 70 8.119 -2.085 1.082 1.00 0.04 C ATOM 998 C PRO A 70 9.392 -2.896 1.265 1.00 0.53 C ATOM 999 O PRO A 70 9.672 -3.231 2.406 1.00 -0.50 O ATOM 1000 CB PRO A 70 6.987 -2.728 0.236 1.00 -0.12 C ATOM 1001 CG PRO A 70 6.740 -1.787 -0.972 1.00 -0.12 C ATOM 1002 CD PRO A 70 7.275 -0.404 -0.529 1.00 -0.01 C ATOM 0 HA PRO A 70 7.854 -2.021 2.137 1.00 0.04 H new ATOM 0 HB2 PRO A 70 7.275 -3.723 -0.102 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 6.079 -2.843 0.828 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 7.260 -2.144 -1.861 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 5.680 -1.737 -1.221 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 7.708 0.154 -1.360 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 6.492 0.221 -0.099 1.00 -0.01 H new ATOM 1010 N PRO A 71 10.231 -3.243 0.259 1.00 -0.23 N ATOM 1011 CA PRO A 71 11.429 -4.015 0.567 1.00 0.04 C ATOM 1012 C PRO A 71 12.367 -3.264 1.490 1.00 0.53 C ATOM 1013 O PRO A 71 13.110 -3.925 2.200 1.00 -0.50 O ATOM 1014 CB PRO A 71 12.002 -4.232 -0.856 1.00 -0.12 C ATOM 1015 CG PRO A 71 11.448 -3.041 -1.670 1.00 -0.12 C ATOM 1016 CD PRO A 71 10.008 -2.877 -1.130 1.00 -0.01 C ATOM 0 HA PRO A 71 11.254 -4.942 1.112 1.00 0.04 H new ATOM 0 HB2 PRO A 71 13.092 -4.239 -0.850 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 11.680 -5.185 -1.275 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 12.040 -2.139 -1.516 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 11.455 -3.248 -2.740 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 9.632 -1.860 -1.240 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 9.296 -3.535 -1.628 1.00 -0.01 H new ATOM 1024 N LYS A 72 12.366 -1.909 1.541 1.00 -0.46 N ATOM 1025 CA LYS A 72 13.245 -1.224 2.494 1.00 0.04 C ATOM 1026 C LYS A 72 12.938 -1.701 3.900 1.00 0.62 C ATOM 1027 O LYS A 72 13.868 -1.841 4.678 1.00 -0.50 O ATOM 1028 CB LYS A 72 13.176 0.330 2.439 1.00 -0.10 C ATOM 1029 CG LYS A 72 13.730 0.893 1.099 1.00 -0.16 C ATOM 1030 CD LYS A 72 13.648 2.445 1.039 1.00 -0.18 C ATOM 1031 CE LYS A 72 14.219 2.982 -0.302 1.00 -0.04 C ATOM 1032 NZ LYS A 72 14.069 4.451 -0.422 1.00 -0.14 N ATOM 0 H LYS A 72 11.791 -1.300 0.958 1.00 -0.46 H new ATOM 0 HA LYS A 72 14.263 -1.484 2.203 1.00 0.04 H new ATOM 0 HB2 LYS A 72 12.142 0.651 2.567 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 13.745 0.747 3.270 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 14.767 0.580 0.976 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 13.168 0.468 0.268 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 12.611 2.762 1.150 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 14.204 2.874 1.873 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 15.274 2.718 -0.378 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 13.708 2.497 -1.134 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 14.447 4.765 -1.338 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 13.062 4.703 -0.358 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 14.592 4.917 0.347 1.00 -0.14 H new ATOM 1046 N CYS A 73 11.659 -1.982 4.252 1.00 -0.46 N ATOM 1047 CA CYS A 73 11.360 -2.614 5.541 1.00 0.04 C ATOM 1048 C CYS A 73 11.236 -4.114 5.372 1.00 0.62 C ATOM 1049 O CYS A 73 10.216 -4.690 5.716 1.00 -0.50 O ATOM 1050 CB CYS A 73 10.117 -1.978 6.216 1.00 -0.10 C ATOM 1051 SG CYS A 73 10.543 -0.303 6.799 1.00 0.82 S ATOM 0 H CYS A 73 10.844 -1.784 3.672 1.00 -0.46 H new ATOM 0 HA CYS A 73 12.192 -2.431 6.221 1.00 0.04 H new ATOM 0 HB2 CYS A 73 9.289 -1.930 5.509 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 9.787 -2.594 7.052 1.00 -0.10 H new ATOM 1056 N GLY A 74 12.304 -4.775 4.873 1.00 -0.46 N ATOM 1057 CA GLY A 74 12.412 -6.226 5.025 1.00 0.04 C ATOM 1058 C GLY A 74 11.629 -7.103 4.076 1.00 0.62 C ATOM 1059 O GLY A 74 12.056 -8.237 3.924 1.00 -0.50 O ATOM 0 H GLY A 74 13.078 -4.334 4.377 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 13.465 -6.493 4.933 1.00 0.04 H new ATOM 0 HA3 GLY A 74 12.106 -6.478 6.040 1.00 0.04 H new ATOM 1063 N VAL A 75 10.501 -6.686 3.451 1.00 -0.46 N ATOM 1064 CA VAL A 75 9.729 -7.652 2.661 1.00 0.04 C ATOM 1065 C VAL A 75 8.831 -7.010 1.620 1.00 0.62 C ATOM 1066 O VAL A 75 8.288 -5.947 1.881 1.00 -0.50 O ATOM 1067 CB VAL A 75 8.917 -8.567 3.626 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 7.927 -7.744 4.494 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 8.173 -9.698 2.866 1.00 -0.09 C ATOM 0 H VAL A 75 10.127 -5.737 3.478 1.00 -0.46 H new ATOM 0 HA VAL A 75 10.439 -8.250 2.090 1.00 0.04 H new ATOM 0 HB VAL A 75 9.639 -9.038 4.293 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.378 -8.415 5.155 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.482 -7.020 5.091 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.225 -7.218 3.846 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 7.620 -10.312 3.577 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 7.479 -9.259 2.149 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 8.897 -10.318 2.337 1.00 -0.09 H new ATOM 1079 N ASN A 76 8.661 -7.645 0.431 1.00 -0.46 N ATOM 1080 CA ASN A 76 7.826 -7.068 -0.622 1.00 0.04 C ATOM 1081 C ASN A 76 6.412 -7.608 -0.562 1.00 0.62 C ATOM 1082 O ASN A 76 6.212 -8.690 -0.034 1.00 -0.50 O ATOM 1083 CB ASN A 76 8.433 -7.356 -2.021 1.00 -0.09 C ATOM 1084 CG ASN A 76 8.385 -8.835 -2.318 1.00 0.68 C ATOM 1085 OD1 ASN A 76 9.323 -9.533 -1.972 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 7.307 -9.354 -2.940 1.00 -0.87 N ATOM 0 H ASN A 76 9.088 -8.540 0.193 1.00 -0.46 H new ATOM 0 HA ASN A 76 7.793 -5.991 -0.459 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.882 -6.807 -2.784 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 9.464 -7.004 -2.057 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 7.262 -10.355 -3.132 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 6.537 -8.746 -3.218 1.00 -0.87 H new ATOM 1093 N LEU A 77 5.422 -6.871 -1.116 1.00 -0.46 N ATOM 1094 CA LEU A 77 4.048 -7.387 -1.210 1.00 0.04 C ATOM 1095 C LEU A 77 3.948 -8.351 -2.380 1.00 0.62 C ATOM 1096 O LEU A 77 4.769 -8.220 -3.275 1.00 -0.50 O ATOM 1097 CB LEU A 77 2.906 -6.315 -1.278 1.00 -0.06 C ATOM 1098 CG LEU A 77 3.319 -4.829 -1.499 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 3.897 -4.543 -2.917 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 2.073 -3.926 -1.278 1.00 -0.11 C ATOM 0 H LEU A 77 5.551 -5.934 -1.497 1.00 -0.46 H new ATOM 0 HA LEU A 77 3.871 -7.893 -0.261 1.00 0.04 H new ATOM 0 HB2 LEU A 77 2.228 -6.598 -2.083 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 2.338 -6.371 -0.349 1.00 -0.06 H new ATOM 0 HG LEU A 77 4.113 -4.613 -0.784 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 4.162 -3.489 -2.996 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 4.786 -5.153 -3.078 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 3.148 -4.787 -3.671 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 2.348 -2.882 -1.430 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 1.293 -4.202 -1.987 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 1.703 -4.059 -0.262 1.00 -0.11 H new ATOM 1112 N PRO A 78 3.001 -9.328 -2.437 1.00 -0.23 N ATOM 1113 CA PRO A 78 2.994 -10.271 -3.553 1.00 0.04 C ATOM 1114 C PRO A 78 2.748 -9.646 -4.914 1.00 0.53 C ATOM 1115 O PRO A 78 3.386 -10.084 -5.857 1.00 -0.50 O ATOM 1116 CB PRO A 78 1.858 -11.235 -3.117 1.00 -0.12 C ATOM 1117 CG PRO A 78 1.004 -10.434 -2.104 1.00 -0.12 C ATOM 1118 CD PRO A 78 2.039 -9.558 -1.364 1.00 -0.01 C ATOM 0 HA PRO A 78 3.962 -10.746 -3.714 1.00 0.04 H new ATOM 0 HB2 PRO A 78 1.260 -11.550 -3.972 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 2.263 -12.139 -2.661 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 0.252 -9.826 -2.607 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.474 -11.094 -1.417 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 1.606 -8.631 -0.989 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.483 -10.071 -0.511 1.00 -0.01 H new ATOM 1126 N TYR A 79 1.854 -8.639 -5.050 1.00 -0.46 N ATOM 1127 CA TYR A 79 1.698 -7.909 -6.318 1.00 0.04 C ATOM 1128 C TYR A 79 2.220 -6.523 -6.050 1.00 0.62 C ATOM 1129 O TYR A 79 2.453 -6.231 -4.890 1.00 -0.50 O ATOM 1130 CB TYR A 79 0.243 -7.828 -6.867 1.00 -0.10 C ATOM 1131 CG TYR A 79 -0.757 -7.300 -5.831 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -1.178 -8.176 -4.830 1.00 0.00 C ATOM 1133 CD2 TYR A 79 -1.272 -5.998 -5.855 1.00 0.00 C ATOM 1134 CE1 TYR A 79 -2.105 -7.776 -3.871 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 -2.230 -5.605 -4.911 1.00 -0.26 C ATOM 1136 CZ TYR A 79 -2.657 -6.496 -3.924 1.00 0.46 C ATOM 1137 OH TYR A 79 -3.628 -6.096 -3.012 1.00 -0.53 O ATOM 0 H TYR A 79 1.238 -8.320 -4.302 1.00 -0.46 H new ATOM 0 HA TYR A 79 2.242 -8.447 -7.094 1.00 0.04 H new ATOM 0 HB2 TYR A 79 0.226 -7.180 -7.744 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -0.071 -8.818 -7.196 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -0.779 -9.179 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.931 -5.296 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.397 -8.457 -3.086 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -2.641 -4.607 -4.947 1.00 -0.26 H new ATOM 0 HH TYR A 79 -3.894 -5.172 -3.202 1.00 -0.53 H new ATOM 1147 N THR A 80 2.418 -5.666 -7.075 1.00 -0.46 N ATOM 1148 CA THR A 80 2.919 -4.322 -6.804 1.00 0.04 C ATOM 1149 C THR A 80 1.774 -3.483 -6.274 1.00 0.62 C ATOM 1150 O THR A 80 1.272 -3.810 -5.211 1.00 -0.50 O ATOM 1151 CB THR A 80 3.652 -3.728 -8.039 1.00 0.17 C ATOM 1152 OG1 THR A 80 2.681 -3.610 -9.092 1.00 -0.55 O ATOM 1153 CG2 THR A 80 4.834 -4.633 -8.482 1.00 -0.19 C ATOM 0 H THR A 80 2.244 -5.878 -8.057 1.00 -0.46 H new ATOM 0 HA THR A 80 3.688 -4.341 -6.031 1.00 0.04 H new ATOM 0 HB THR A 80 4.078 -2.755 -7.793 1.00 0.17 H new ATOM 0 HG1 THR A 80 3.108 -3.235 -9.890 1.00 -0.55 H new ATOM 0 HG21 THR A 80 5.326 -4.190 -9.348 1.00 -0.19 H new ATOM 0 HG22 THR A 80 5.549 -4.723 -7.665 1.00 -0.19 H new ATOM 0 HG23 THR A 80 4.457 -5.621 -8.745 1.00 -0.19 H new ATOM 1161 N ILE A 81 1.334 -2.399 -6.951 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.390 -1.460 -6.336 1.00 0.04 C ATOM 1163 C ILE A 81 -0.557 -0.974 -7.418 1.00 0.62 C ATOM 1164 O ILE A 81 -0.550 -1.591 -8.470 1.00 -0.50 O ATOM 1165 CB ILE A 81 1.218 -0.379 -5.566 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 2.136 0.430 -6.530 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 2.034 -1.013 -4.400 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 2.926 1.562 -5.817 1.00 -0.09 C ATOM 0 H ILE A 81 1.614 -2.162 -7.903 1.00 -0.46 H new ATOM 0 HA ILE A 81 -0.260 -1.899 -5.579 1.00 0.04 H new ATOM 0 HB ILE A 81 0.510 0.323 -5.126 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 2.841 -0.251 -7.007 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 1.527 0.865 -7.322 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 2.598 -0.235 -3.886 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 1.352 -1.492 -3.697 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 2.723 -1.756 -4.800 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 3.546 2.087 -6.544 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 2.226 2.264 -5.363 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 3.561 1.131 -5.043 1.00 -0.09 H new ATOM 1180 N SER A 82 -1.391 0.072 -7.210 1.00 -0.46 N ATOM 1181 CA SER A 82 -2.411 0.442 -8.196 1.00 0.04 C ATOM 1182 C SER A 82 -2.415 1.933 -8.452 1.00 0.62 C ATOM 1183 O SER A 82 -3.475 2.499 -8.668 1.00 -0.50 O ATOM 1184 CB SER A 82 -3.785 -0.001 -7.630 1.00 0.02 C ATOM 1185 OG SER A 82 -3.842 -1.421 -7.420 1.00 -0.55 O ATOM 0 H SER A 82 -1.372 0.662 -6.378 1.00 -0.46 H new ATOM 0 HA SER A 82 -2.200 -0.048 -9.147 1.00 0.04 H new ATOM 0 HB2 SER A 82 -3.973 0.514 -6.688 1.00 0.02 H new ATOM 0 HB3 SER A 82 -4.575 0.297 -8.319 1.00 0.02 H new ATOM 0 HG SER A 82 -4.754 -1.678 -7.170 1.00 -0.55 H new ATOM 1191 N LEU A 83 -1.248 2.608 -8.424 1.00 -0.46 N ATOM 1192 CA LEU A 83 -1.244 4.067 -8.539 1.00 0.04 C ATOM 1193 C LEU A 83 -1.231 4.447 -10.001 1.00 0.62 C ATOM 1194 O LEU A 83 -2.209 5.003 -10.476 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.052 4.699 -7.765 1.00 -0.06 C ATOM 1196 CG LEU A 83 -0.273 4.737 -6.222 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -0.659 3.353 -5.633 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 1.016 5.259 -5.532 1.00 -0.11 C ATOM 0 H LEU A 83 -0.329 2.177 -8.326 1.00 -0.46 H new ATOM 0 HA LEU A 83 -2.149 4.464 -8.080 1.00 0.04 H new ATOM 0 HB2 LEU A 83 0.854 4.134 -7.982 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 0.111 5.714 -8.127 1.00 -0.06 H new ATOM 0 HG LEU A 83 -1.110 5.408 -6.030 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -0.800 3.442 -4.556 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -1.585 3.008 -6.092 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 0.136 2.636 -5.837 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 0.865 5.287 -4.453 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 1.848 4.595 -5.765 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 1.241 6.263 -5.893 1.00 -0.11 H new ATOM 1210 N ASN A 84 -0.131 4.147 -10.729 1.00 -0.46 N ATOM 1211 CA ASN A 84 0.003 4.596 -12.117 1.00 0.04 C ATOM 1212 C ASN A 84 -0.139 3.408 -13.046 1.00 0.62 C ATOM 1213 O ASN A 84 0.638 3.281 -13.976 1.00 -0.50 O ATOM 1214 CB ASN A 84 1.376 5.323 -12.195 1.00 -0.09 C ATOM 1215 CG ASN A 84 1.605 6.126 -13.450 1.00 0.68 C ATOM 1216 OD1 ASN A 84 0.824 6.042 -14.384 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 2.686 6.933 -13.493 1.00 -0.87 N ATOM 0 H ASN A 84 0.659 3.605 -10.379 1.00 -0.46 H new ATOM 0 HA ASN A 84 -0.775 5.291 -12.434 1.00 0.04 H new ATOM 0 HB2 ASN A 84 1.467 5.987 -11.336 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 2.168 4.580 -12.108 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 2.870 7.496 -14.324 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 3.319 6.980 -12.695 1.00 -0.87 H new ATOM 1224 N ILE A 85 -1.129 2.521 -12.782 1.00 -0.46 N ATOM 1225 CA ILE A 85 -1.289 1.283 -13.554 1.00 0.04 C ATOM 1226 C ILE A 85 -2.607 0.606 -13.198 1.00 0.62 C ATOM 1227 O ILE A 85 -3.260 1.038 -12.258 1.00 -0.50 O ATOM 1228 CB ILE A 85 -0.102 0.259 -13.418 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 0.817 0.468 -12.176 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 0.757 0.182 -14.715 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 0.056 0.286 -10.840 1.00 -0.09 C ATOM 0 H ILE A 85 -1.821 2.646 -12.043 1.00 -0.46 H new ATOM 0 HA ILE A 85 -1.287 1.594 -14.599 1.00 0.04 H new ATOM 0 HB ILE A 85 -0.604 -0.695 -13.259 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 1.646 -0.239 -12.218 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 1.249 1.468 -12.211 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 1.564 -0.537 -14.575 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 0.130 -0.134 -15.548 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 1.179 1.164 -14.931 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 0.741 0.442 -10.007 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -0.756 1.010 -10.782 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -0.353 -0.723 -10.789 1.00 -0.09 H new ATOM 1243 N ASP A 86 -3.008 -0.456 -13.942 1.00 -0.46 N ATOM 1244 CA ASP A 86 -4.228 -1.197 -13.604 1.00 0.04 C ATOM 1245 C ASP A 86 -4.191 -1.686 -12.169 1.00 0.62 C ATOM 1246 O ASP A 86 -3.122 -1.710 -11.580 1.00 -0.50 O ATOM 1247 CB ASP A 86 -4.418 -2.406 -14.564 1.00 -0.40 C ATOM 1248 CG ASP A 86 -5.646 -3.227 -14.264 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -6.644 -2.642 -13.759 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -5.624 -4.461 -14.511 1.00 -0.72 O ATOM 0 H ASP A 86 -2.510 -0.805 -14.761 1.00 -0.46 H new ATOM 0 HA ASP A 86 -5.070 -0.515 -13.717 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -4.477 -2.040 -15.589 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -3.539 -3.048 -14.505 1.00 -0.40 H new ATOM 1255 N CYS A 87 -5.345 -2.068 -11.569 1.00 -0.46 N ATOM 1256 CA CYS A 87 -5.330 -2.451 -10.161 1.00 0.04 C ATOM 1257 C CYS A 87 -4.568 -3.739 -9.932 1.00 0.62 C ATOM 1258 O CYS A 87 -3.691 -3.740 -9.085 1.00 -0.50 O ATOM 1259 CB CYS A 87 -6.746 -2.527 -9.518 1.00 -0.10 C ATOM 1260 SG CYS A 87 -6.652 -2.094 -7.746 1.00 0.82 S ATOM 0 H CYS A 87 -6.256 -2.114 -12.026 1.00 -0.46 H new ATOM 0 HA CYS A 87 -4.802 -1.644 -9.653 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -7.425 -1.846 -10.032 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -7.154 -3.531 -9.634 1.00 -0.10 H new ATOM 1265 N SER A 88 -4.920 -4.829 -10.654 1.00 -0.46 N ATOM 1266 CA SER A 88 -4.302 -6.142 -10.423 1.00 0.04 C ATOM 1267 C SER A 88 -4.694 -6.697 -9.067 1.00 0.62 C ATOM 1268 O SER A 88 -4.543 -5.979 -8.092 1.00 -0.50 O ATOM 1269 CB SER A 88 -2.760 -6.125 -10.592 1.00 0.02 C ATOM 1270 OG SER A 88 -2.456 -5.510 -11.856 1.00 -0.55 O ATOM 0 H SER A 88 -5.623 -4.819 -11.393 1.00 -0.46 H new ATOM 0 HA SER A 88 -4.690 -6.805 -11.196 1.00 0.04 H new ATOM 0 HB2 SER A 88 -2.294 -5.571 -9.777 1.00 0.02 H new ATOM 0 HB3 SER A 88 -2.362 -7.139 -10.557 1.00 0.02 H new ATOM 0 HG SER A 88 -1.485 -5.487 -11.983 1.00 -0.55 H new ATOM 1276 N ARG A 89 -5.204 -7.949 -8.954 1.00 -0.46 N ATOM 1277 CA ARG A 89 -5.658 -8.448 -7.650 1.00 0.04 C ATOM 1278 C ARG A 89 -6.017 -9.923 -7.640 1.00 0.62 C ATOM 1279 O ARG A 89 -5.524 -10.623 -6.767 1.00 -0.50 O ATOM 1280 CB ARG A 89 -6.827 -7.632 -7.018 1.00 -0.08 C ATOM 1281 CG ARG A 89 -8.156 -7.538 -7.822 1.00 -0.10 C ATOM 1282 CD ARG A 89 -8.026 -6.781 -9.172 1.00 -0.23 C ATOM 1283 NE ARG A 89 -9.355 -6.532 -9.750 1.00 -0.32 N ATOM 1284 CZ ARG A 89 -10.172 -5.573 -9.366 1.00 0.76 C ATOM 1285 NH1 ARG A 89 -9.891 -4.730 -8.403 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 -11.330 -5.448 -9.968 1.00 -0.62 N ATOM 0 H ARG A 89 -5.306 -8.606 -9.728 1.00 -0.46 H new ATOM 0 HA ARG A 89 -4.774 -8.306 -7.028 1.00 0.04 H new ATOM 0 HB2 ARG A 89 -7.053 -8.067 -6.045 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 -6.470 -6.618 -6.838 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 -8.523 -8.546 -8.016 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 -8.905 -7.039 -7.208 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 -7.507 -5.835 -9.017 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 -7.424 -7.365 -9.867 1.00 -0.23 H new ATOM 0 HE ARG A 89 -9.667 -7.146 -10.502 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 -9.001 -4.798 -7.909 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 -10.562 -4.006 -8.147 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 -11.585 -6.088 -10.720 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 -11.976 -4.711 -9.684 1.00 -0.62 H new ATOM 1300 N VAL A 90 -6.863 -10.431 -8.565 1.00 -0.46 N ATOM 1301 CA VAL A 90 -7.323 -11.821 -8.489 1.00 0.04 C ATOM 1302 C VAL A 90 -7.532 -12.339 -9.894 1.00 0.62 C ATOM 1303 O VAL A 90 -7.822 -11.574 -10.802 1.00 -0.50 O ATOM 1304 CB VAL A 90 -8.642 -11.905 -7.660 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 -9.252 -13.334 -7.708 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 -8.420 -11.485 -6.178 1.00 -0.09 C ATOM 1307 OXT VAL A 90 -7.372 -13.656 -10.069 1.00 0.00 O ATOM 0 H VAL A 90 -7.231 -9.904 -9.357 1.00 -0.46 H new ATOM 0 HA VAL A 90 -6.576 -12.436 -7.987 1.00 0.04 H new ATOM 0 HB VAL A 90 -9.341 -11.206 -8.118 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -10.170 -13.358 -7.120 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -9.476 -13.600 -8.741 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -8.539 -14.048 -7.296 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -9.362 -11.557 -5.634 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -7.685 -12.146 -5.719 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -8.058 -10.458 -6.141 1.00 -0.09 H new