USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=14 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 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 THR OG1 : rot 150:sc= -1.49 USER MOD Set 2.1: A 10 THR OG1 : rot 3:sc= 1.96 USER MOD Set 2.2: A 12 ASN : amide:sc= -0.344 K(o=1.6,f=0.55!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0174) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -9:sc= 0.226! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.33) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 31 GLN : amide:sc= -0.876 K(o=-0.88,f=-0.043) USER MOD Single : A 34 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -101:sc= -1.49 USER MOD Single : A 51 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ -144:sc=-0.00185 (180deg=-0.0662) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= -0.804 (180deg=-2.14!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -59:sc= 1.11 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.256 16.551 5.496 1.00 29.35 N ATOM 2 CA MET A 1 27.049 15.752 5.143 1.00 28.72 C ATOM 3 C MET A 1 26.700 14.815 6.301 1.00 27.32 C ATOM 4 O MET A 1 27.334 13.794 6.496 1.00 26.95 O ATOM 5 CB MET A 1 27.333 14.927 3.885 1.00 29.04 C ATOM 6 CG MET A 1 26.011 14.492 3.250 1.00 29.19 C ATOM 7 SD MET A 1 25.434 12.969 4.039 1.00 28.39 S ATOM 8 CE MET A 1 25.554 11.901 2.583 1.00 28.97 C ATOM 0 H1 MET A 1 28.493 17.188 4.709 1.00 29.35 H new ATOM 0 H2 MET A 1 28.063 17.113 6.350 1.00 29.35 H new ATOM 0 H3 MET A 1 29.056 15.911 5.676 1.00 29.35 H new ATOM 0 HA MET A 1 26.211 16.423 4.955 1.00 28.72 H new ATOM 0 HB2 MET A 1 27.913 15.516 3.175 1.00 29.04 H new ATOM 0 HB3 MET A 1 27.932 14.052 4.139 1.00 29.04 H new ATOM 0 HG2 MET A 1 25.265 15.278 3.364 1.00 29.19 H new ATOM 0 HG3 MET A 1 26.145 14.332 2.180 1.00 29.19 H new ATOM 0 HE1 MET A 1 25.239 10.891 2.846 1.00 28.97 H new ATOM 0 HE2 MET A 1 24.910 12.288 1.794 1.00 28.97 H new ATOM 0 HE3 MET A 1 26.586 11.880 2.231 1.00 28.97 H new ATOM 20 N SER A 2 25.696 15.157 7.069 1.00 26.70 N ATOM 21 CA SER A 2 25.298 14.293 8.218 1.00 25.48 C ATOM 22 C SER A 2 23.872 14.643 8.648 1.00 24.97 C ATOM 23 O SER A 2 23.024 13.780 8.773 1.00 24.43 O ATOM 24 CB SER A 2 26.254 14.527 9.388 1.00 25.63 C ATOM 25 OG SER A 2 26.099 13.480 10.338 1.00 25.17 O ATOM 0 H SER A 2 25.135 16.000 6.948 1.00 26.70 H new ATOM 0 HA SER A 2 25.342 13.246 7.917 1.00 25.48 H new ATOM 0 HB2 SER A 2 27.283 14.560 9.031 1.00 25.63 H new ATOM 0 HB3 SER A 2 26.047 15.490 9.854 1.00 25.63 H new ATOM 0 HG SER A 2 26.712 13.626 11.089 1.00 25.17 H new ATOM 31 N LYS A 3 23.604 15.905 8.874 1.00 25.33 N ATOM 32 CA LYS A 3 22.233 16.330 9.297 1.00 25.10 C ATOM 33 C LYS A 3 21.866 15.650 10.618 1.00 23.75 C ATOM 34 O LYS A 3 22.679 14.978 11.225 1.00 23.33 O ATOM 35 CB LYS A 3 21.217 15.938 8.217 1.00 25.31 C ATOM 36 CG LYS A 3 20.971 17.128 7.276 1.00 26.76 C ATOM 37 CD LYS A 3 21.129 16.681 5.819 1.00 27.35 C ATOM 38 CE LYS A 3 20.028 15.678 5.469 1.00 27.29 C ATOM 39 NZ LYS A 3 20.238 15.175 4.082 1.00 27.95 N ATOM 0 H LYS A 3 24.280 16.664 8.783 1.00 25.33 H new ATOM 0 HA LYS A 3 22.218 17.411 9.433 1.00 25.10 H new ATOM 0 HB2 LYS A 3 21.587 15.084 7.649 1.00 25.31 H new ATOM 0 HB3 LYS A 3 20.280 15.630 8.681 1.00 25.31 H new ATOM 0 HG2 LYS A 3 19.970 17.529 7.436 1.00 26.76 H new ATOM 0 HG3 LYS A 3 21.675 17.930 7.498 1.00 26.76 H new ATOM 0 HD2 LYS A 3 21.074 17.544 5.155 1.00 27.35 H new ATOM 0 HD3 LYS A 3 22.109 16.227 5.671 1.00 27.35 H new ATOM 0 HE2 LYS A 3 20.040 14.847 6.174 1.00 27.29 H new ATOM 0 HE3 LYS A 3 19.050 16.152 5.551 1.00 27.29 H new ATOM 0 HZ1 LYS A 3 19.490 14.493 3.843 1.00 27.95 H new ATOM 0 HZ2 LYS A 3 20.206 15.972 3.415 1.00 27.95 H new ATOM 0 HZ3 LYS A 3 21.165 14.708 4.019 1.00 27.95 H new ATOM 53 N ARG A 4 20.649 15.823 11.066 1.00 23.28 N ATOM 54 CA ARG A 4 20.219 15.192 12.349 1.00 22.15 C ATOM 55 C ARG A 4 19.209 14.080 12.057 1.00 20.83 C ATOM 56 O ARG A 4 18.117 14.331 11.584 1.00 20.96 O ATOM 57 CB ARG A 4 19.570 16.253 13.244 1.00 22.84 C ATOM 58 CG ARG A 4 19.927 15.976 14.707 1.00 22.95 C ATOM 59 CD ARG A 4 19.150 16.931 15.621 1.00 23.84 C ATOM 60 NE ARG A 4 20.053 18.039 16.089 1.00 24.85 N ATOM 61 CZ ARG A 4 21.207 17.805 16.679 1.00 24.91 C ATOM 62 NH1 ARG A 4 21.546 16.600 17.068 1.00 24.11 N ATOM 63 NH2 ARG A 4 22.006 18.806 16.936 1.00 25.96 N ATOM 0 H ARG A 4 19.932 16.376 10.596 1.00 23.28 H new ATOM 0 HA ARG A 4 21.086 14.769 12.857 1.00 22.15 H new ATOM 0 HB2 ARG A 4 19.914 17.246 12.957 1.00 22.84 H new ATOM 0 HB3 ARG A 4 18.488 16.241 13.114 1.00 22.84 H new ATOM 0 HG2 ARG A 4 19.689 14.943 14.959 1.00 22.95 H new ATOM 0 HG3 ARG A 4 20.999 16.103 14.860 1.00 22.95 H new ATOM 0 HD2 ARG A 4 18.297 17.347 15.086 1.00 23.84 H new ATOM 0 HD3 ARG A 4 18.754 16.386 16.478 1.00 23.84 H new ATOM 0 HE ARG A 4 19.761 19.006 15.944 1.00 24.85 H new ATOM 0 HH11 ARG A 4 20.910 15.817 16.916 1.00 24.11 H new ATOM 0 HH12 ARG A 4 22.446 16.445 17.523 1.00 24.11 H new ATOM 0 HH21 ARG A 4 21.733 19.755 16.680 1.00 25.96 H new ATOM 0 HH22 ARG A 4 22.903 18.639 17.393 1.00 25.96 H new ATOM 77 N LYS A 5 19.569 12.853 12.338 1.00 19.74 N ATOM 78 CA LYS A 5 18.636 11.716 12.081 1.00 18.56 C ATOM 79 C LYS A 5 18.528 10.851 13.339 1.00 17.25 C ATOM 80 O LYS A 5 19.520 10.514 13.957 1.00 17.20 O ATOM 81 CB LYS A 5 19.171 10.870 10.922 1.00 18.38 C ATOM 82 CG LYS A 5 17.999 10.327 10.102 1.00 18.53 C ATOM 83 CD LYS A 5 17.496 11.411 9.147 1.00 19.64 C ATOM 84 CE LYS A 5 16.402 10.832 8.248 1.00 19.96 C ATOM 85 NZ LYS A 5 17.029 10.047 7.147 1.00 20.36 N ATOM 0 H LYS A 5 20.471 12.590 12.735 1.00 19.74 H new ATOM 0 HA LYS A 5 17.651 12.104 11.822 1.00 18.56 H new ATOM 0 HB2 LYS A 5 19.823 11.472 10.289 1.00 18.38 H new ATOM 0 HB3 LYS A 5 19.772 10.046 11.307 1.00 18.38 H new ATOM 0 HG2 LYS A 5 18.312 9.448 9.538 1.00 18.53 H new ATOM 0 HG3 LYS A 5 17.194 10.010 10.765 1.00 18.53 H new ATOM 0 HD2 LYS A 5 17.106 12.257 9.713 1.00 19.64 H new ATOM 0 HD3 LYS A 5 18.320 11.786 8.540 1.00 19.64 H new ATOM 0 HE2 LYS A 5 15.737 10.195 8.831 1.00 19.96 H new ATOM 0 HE3 LYS A 5 15.792 11.636 7.835 1.00 19.96 H new ATOM 0 HZ1 LYS A 5 16.474 10.167 6.276 1.00 20.36 H new ATOM 0 HZ2 LYS A 5 18.000 10.385 6.989 1.00 20.36 H new ATOM 0 HZ3 LYS A 5 17.051 9.040 7.407 1.00 20.36 H new ATOM 99 N ALA A 6 17.328 10.490 13.719 1.00 16.41 N ATOM 100 CA ALA A 6 17.144 9.646 14.936 1.00 15.31 C ATOM 101 C ALA A 6 17.583 8.202 14.632 1.00 13.87 C ATOM 102 O ALA A 6 17.554 7.791 13.489 1.00 13.58 O ATOM 103 CB ALA A 6 15.668 9.655 15.342 1.00 15.12 C ATOM 0 H ALA A 6 16.466 10.745 13.236 1.00 16.41 H new ATOM 0 HA ALA A 6 17.749 10.045 15.750 1.00 15.31 H new ATOM 0 HB1 ALA A 6 15.531 9.039 16.231 1.00 15.12 H new ATOM 0 HB2 ALA A 6 15.356 10.677 15.557 1.00 15.12 H new ATOM 0 HB3 ALA A 6 15.064 9.255 14.527 1.00 15.12 H new ATOM 109 N PRO A 7 17.984 7.463 15.655 1.00 13.31 N ATOM 110 CA PRO A 7 18.427 6.068 15.470 1.00 12.27 C ATOM 111 C PRO A 7 17.284 5.220 14.901 1.00 11.02 C ATOM 112 O PRO A 7 16.130 5.602 14.956 1.00 10.94 O ATOM 113 CB PRO A 7 18.816 5.582 16.875 1.00 12.41 C ATOM 114 CG PRO A 7 18.564 6.748 17.865 1.00 13.52 C ATOM 115 CD PRO A 7 18.029 7.940 17.058 1.00 14.06 C ATOM 0 HA PRO A 7 19.258 5.988 14.769 1.00 12.27 H new ATOM 0 HB2 PRO A 7 18.226 4.709 17.154 1.00 12.41 H new ATOM 0 HB3 PRO A 7 19.863 5.280 16.899 1.00 12.41 H new ATOM 0 HG2 PRO A 7 17.846 6.451 18.630 1.00 13.52 H new ATOM 0 HG3 PRO A 7 19.486 7.018 18.380 1.00 13.52 H new ATOM 0 HD2 PRO A 7 17.040 8.240 17.405 1.00 14.06 H new ATOM 0 HD3 PRO A 7 18.679 8.809 17.159 1.00 14.06 H new ATOM 123 N GLN A 8 17.602 4.073 14.356 1.00 10.42 N ATOM 124 CA GLN A 8 16.542 3.192 13.780 1.00 9.54 C ATOM 125 C GLN A 8 16.028 2.238 14.861 1.00 8.67 C ATOM 126 O GLN A 8 16.602 1.193 15.101 1.00 8.72 O ATOM 127 CB GLN A 8 17.127 2.381 12.620 1.00 9.84 C ATOM 128 CG GLN A 8 17.633 3.332 11.533 1.00 10.59 C ATOM 129 CD GLN A 8 18.208 2.519 10.371 1.00 11.13 C ATOM 130 OE1 GLN A 8 19.144 1.765 10.546 1.00 11.40 O ATOM 131 NE2 GLN A 8 17.681 2.640 9.183 1.00 11.75 N ATOM 0 H GLN A 8 18.552 3.708 14.285 1.00 10.42 H new ATOM 0 HA GLN A 8 15.718 3.806 13.416 1.00 9.54 H new ATOM 0 HB2 GLN A 8 17.943 1.753 12.977 1.00 9.84 H new ATOM 0 HB3 GLN A 8 16.368 1.714 12.210 1.00 9.84 H new ATOM 0 HG2 GLN A 8 16.818 3.965 11.180 1.00 10.59 H new ATOM 0 HG3 GLN A 8 18.397 3.994 11.941 1.00 10.59 H new ATOM 0 HE21 GLN A 8 16.895 3.273 9.036 1.00 11.75 H new ATOM 0 HE22 GLN A 8 18.055 2.101 8.402 1.00 11.75 H new ATOM 140 N GLU A 9 14.947 2.591 15.511 1.00 8.38 N ATOM 141 CA GLU A 9 14.385 1.710 16.576 1.00 8.11 C ATOM 142 C GLU A 9 13.040 1.147 16.114 1.00 7.35 C ATOM 143 O GLU A 9 12.531 1.519 15.078 1.00 7.38 O ATOM 144 CB GLU A 9 14.183 2.522 17.858 1.00 9.09 C ATOM 145 CG GLU A 9 15.456 2.467 18.705 1.00 9.97 C ATOM 146 CD GLU A 9 15.262 3.305 19.970 1.00 11.19 C ATOM 147 OE1 GLU A 9 14.200 3.215 20.561 1.00 11.72 O ATOM 148 OE2 GLU A 9 16.182 4.024 20.327 1.00 11.87 O ATOM 0 H GLU A 9 14.429 3.455 15.348 1.00 8.38 H new ATOM 0 HA GLU A 9 15.076 0.890 16.770 1.00 8.11 H new ATOM 0 HB2 GLU A 9 13.942 3.556 17.612 1.00 9.09 H new ATOM 0 HB3 GLU A 9 13.340 2.125 18.423 1.00 9.09 H new ATOM 0 HG2 GLU A 9 15.685 1.435 18.971 1.00 9.97 H new ATOM 0 HG3 GLU A 9 16.303 2.844 18.132 1.00 9.97 H new ATOM 155 N THR A 10 12.467 0.251 16.882 1.00 7.24 N ATOM 156 CA THR A 10 11.144 -0.360 16.514 1.00 7.00 C ATOM 157 C THR A 10 11.190 -0.921 15.087 1.00 5.70 C ATOM 158 O THR A 10 11.046 -0.199 14.119 1.00 5.25 O ATOM 159 CB THR A 10 10.026 0.689 16.620 1.00 7.85 C ATOM 160 OG1 THR A 10 10.125 1.613 15.546 1.00 7.56 O ATOM 161 CG2 THR A 10 10.139 1.439 17.951 1.00 9.15 C ATOM 0 H THR A 10 12.862 -0.089 17.759 1.00 7.24 H new ATOM 0 HA THR A 10 10.938 -1.175 17.208 1.00 7.00 H new ATOM 0 HB THR A 10 9.062 0.183 16.572 1.00 7.85 H new ATOM 0 HG1 THR A 10 10.855 1.344 14.949 1.00 7.56 H new ATOM 0 HG21 THR A 10 9.343 2.181 18.019 1.00 9.15 H new ATOM 0 HG22 THR A 10 10.048 0.732 18.776 1.00 9.15 H new ATOM 0 HG23 THR A 10 11.106 1.938 18.006 1.00 9.15 H new ATOM 169 N LEU A 11 11.386 -2.211 14.953 1.00 5.72 N ATOM 170 CA LEU A 11 11.443 -2.835 13.594 1.00 5.16 C ATOM 171 C LEU A 11 10.140 -2.558 12.839 1.00 4.40 C ATOM 172 O LEU A 11 9.179 -3.298 12.948 1.00 4.94 O ATOM 173 CB LEU A 11 11.638 -4.346 13.735 1.00 6.48 C ATOM 174 CG LEU A 11 12.498 -4.860 12.579 1.00 7.03 C ATOM 175 CD1 LEU A 11 13.197 -6.155 12.996 1.00 8.56 C ATOM 176 CD2 LEU A 11 11.608 -5.130 11.364 1.00 7.62 C ATOM 0 H LEU A 11 11.509 -2.860 15.730 1.00 5.72 H new ATOM 0 HA LEU A 11 12.278 -2.408 13.038 1.00 5.16 H new ATOM 0 HB2 LEU A 11 12.116 -4.574 14.687 1.00 6.48 H new ATOM 0 HB3 LEU A 11 10.671 -4.850 13.735 1.00 6.48 H new ATOM 0 HG LEU A 11 13.247 -4.111 12.324 1.00 7.03 H new ATOM 0 HD11 LEU A 11 13.809 -6.520 12.171 1.00 8.56 H new ATOM 0 HD12 LEU A 11 13.831 -5.964 13.862 1.00 8.56 H new ATOM 0 HD13 LEU A 11 12.449 -6.906 13.253 1.00 8.56 H new ATOM 0 HD21 LEU A 11 12.219 -5.496 10.539 1.00 7.62 H new ATOM 0 HD22 LEU A 11 10.859 -5.879 11.621 1.00 7.62 H new ATOM 0 HD23 LEU A 11 11.111 -4.207 11.065 1.00 7.62 H new ATOM 188 N ASN A 12 10.106 -1.497 12.076 1.00 3.57 N ATOM 189 CA ASN A 12 8.875 -1.156 11.306 1.00 3.12 C ATOM 190 C ASN A 12 9.249 -0.923 9.840 1.00 2.36 C ATOM 191 O ASN A 12 10.367 -1.178 9.433 1.00 2.37 O ATOM 192 CB ASN A 12 8.248 0.114 11.889 1.00 3.57 C ATOM 193 CG ASN A 12 7.137 -0.268 12.870 1.00 4.86 C ATOM 194 OD1 ASN A 12 6.374 -1.179 12.617 1.00 5.65 O ATOM 195 ND2 ASN A 12 7.015 0.394 13.987 1.00 5.76 N ATOM 0 H ASN A 12 10.884 -0.848 11.953 1.00 3.57 H new ATOM 0 HA ASN A 12 8.158 -1.974 11.372 1.00 3.12 H new ATOM 0 HB2 ASN A 12 9.008 0.707 12.397 1.00 3.57 H new ATOM 0 HB3 ASN A 12 7.843 0.733 11.088 1.00 3.57 H new ATOM 0 HD21 ASN A 12 6.279 0.147 14.648 1.00 5.76 H new ATOM 0 HD22 ASN A 12 7.656 1.159 14.199 1.00 5.76 H new ATOM 202 N GLY A 13 8.325 -0.441 9.049 1.00 2.03 N ATOM 203 CA GLY A 13 8.628 -0.190 7.608 1.00 1.77 C ATOM 204 C GLY A 13 8.158 -1.380 6.768 1.00 1.73 C ATOM 205 O GLY A 13 7.600 -2.332 7.281 1.00 2.56 O ATOM 0 H GLY A 13 7.374 -0.211 9.338 1.00 2.03 H new ATOM 0 HA2 GLY A 13 8.131 0.721 7.275 1.00 1.77 H new ATOM 0 HA3 GLY A 13 9.699 -0.037 7.473 1.00 1.77 H new ATOM 209 N GLY A 14 8.379 -1.330 5.479 1.00 1.45 N ATOM 210 CA GLY A 14 7.948 -2.450 4.592 1.00 1.38 C ATOM 211 C GLY A 14 6.576 -2.124 3.999 1.00 1.13 C ATOM 212 O GLY A 14 5.757 -2.997 3.785 1.00 1.22 O ATOM 0 H GLY A 14 8.842 -0.557 5.001 1.00 1.45 H new ATOM 0 HA2 GLY A 14 8.676 -2.599 3.794 1.00 1.38 H new ATOM 0 HA3 GLY A 14 7.901 -3.380 5.158 1.00 1.38 H new ATOM 216 N ILE A 15 6.325 -0.867 3.740 1.00 0.98 N ATOM 217 CA ILE A 15 5.007 -0.458 3.165 1.00 0.78 C ATOM 218 C ILE A 15 5.086 -0.470 1.645 1.00 0.65 C ATOM 219 O ILE A 15 4.455 -1.279 1.000 1.00 0.69 O ATOM 220 CB ILE A 15 4.633 0.946 3.639 1.00 0.78 C ATOM 221 CG1 ILE A 15 4.912 1.082 5.140 1.00 1.06 C ATOM 222 CG2 ILE A 15 3.151 1.169 3.389 1.00 0.82 C ATOM 223 CD1 ILE A 15 6.188 1.879 5.333 1.00 2.59 C ATOM 0 H ILE A 15 6.979 -0.102 3.903 1.00 0.98 H new ATOM 0 HA ILE A 15 4.246 -1.162 3.501 1.00 0.78 H new ATOM 0 HB ILE A 15 5.224 1.682 3.095 1.00 0.78 H new ATOM 0 HG12 ILE A 15 4.078 1.580 5.635 1.00 1.06 H new ATOM 0 HG13 ILE A 15 5.011 0.097 5.596 1.00 1.06 H new ATOM 0 HG21 ILE A 15 2.872 2.168 3.723 1.00 0.82 H new ATOM 0 HG22 ILE A 15 2.943 1.072 2.323 1.00 0.82 H new ATOM 0 HG23 ILE A 15 2.573 0.427 3.941 1.00 0.82 H new ATOM 0 HD11 ILE A 15 6.395 1.981 6.398 1.00 2.59 H new ATOM 0 HD12 ILE A 15 7.017 1.361 4.850 1.00 2.59 H new ATOM 0 HD13 ILE A 15 6.070 2.868 4.890 1.00 2.59 H new ATOM 235 N THR A 16 5.854 0.422 1.069 1.00 0.62 N ATOM 236 CA THR A 16 5.968 0.455 -0.419 1.00 0.63 C ATOM 237 C THR A 16 6.679 -0.809 -0.920 1.00 0.67 C ATOM 238 O THR A 16 6.637 -1.118 -2.096 1.00 0.69 O ATOM 239 CB THR A 16 6.745 1.701 -0.870 1.00 0.66 C ATOM 240 OG1 THR A 16 7.092 1.567 -2.245 1.00 0.80 O ATOM 241 CG2 THR A 16 8.018 1.866 -0.034 1.00 0.65 C ATOM 0 H THR A 16 6.404 1.125 1.563 1.00 0.62 H new ATOM 0 HA THR A 16 4.964 0.494 -0.842 1.00 0.63 H new ATOM 0 HB THR A 16 6.117 2.581 -0.731 1.00 0.66 H new ATOM 0 HG1 THR A 16 6.883 0.659 -2.548 1.00 0.80 H new ATOM 0 HG21 THR A 16 8.558 2.753 -0.365 1.00 0.65 H new ATOM 0 HG22 THR A 16 7.751 1.975 1.017 1.00 0.65 H new ATOM 0 HG23 THR A 16 8.652 0.988 -0.159 1.00 0.65 H new ATOM 249 N ASP A 17 7.324 -1.548 -0.045 1.00 0.73 N ATOM 250 CA ASP A 17 8.020 -2.791 -0.482 1.00 0.81 C ATOM 251 C ASP A 17 6.974 -3.865 -0.787 1.00 0.70 C ATOM 252 O ASP A 17 6.991 -4.483 -1.835 1.00 0.75 O ATOM 253 CB ASP A 17 8.943 -3.281 0.637 1.00 0.99 C ATOM 254 CG ASP A 17 9.955 -4.274 0.065 1.00 2.20 C ATOM 255 OD1 ASP A 17 10.833 -3.842 -0.663 1.00 2.52 O ATOM 256 OD2 ASP A 17 9.834 -5.451 0.365 1.00 3.61 O ATOM 0 H ASP A 17 7.395 -1.339 0.951 1.00 0.73 H new ATOM 0 HA ASP A 17 8.613 -2.588 -1.374 1.00 0.81 H new ATOM 0 HB2 ASP A 17 9.462 -2.437 1.090 1.00 0.99 H new ATOM 0 HB3 ASP A 17 8.357 -3.755 1.425 1.00 0.99 H new ATOM 261 N MET A 18 6.057 -4.080 0.123 1.00 0.68 N ATOM 262 CA MET A 18 4.993 -5.103 -0.101 1.00 0.70 C ATOM 263 C MET A 18 3.856 -4.502 -0.944 1.00 0.57 C ATOM 264 O MET A 18 3.023 -5.221 -1.471 1.00 0.67 O ATOM 265 CB MET A 18 4.442 -5.567 1.252 1.00 0.85 C ATOM 266 CG MET A 18 4.209 -7.079 1.223 1.00 1.99 C ATOM 267 SD MET A 18 2.634 -7.430 0.405 1.00 4.04 S ATOM 268 CE MET A 18 2.964 -9.162 0.001 1.00 4.80 C ATOM 0 H MET A 18 6.000 -3.588 1.015 1.00 0.68 H new ATOM 0 HA MET A 18 5.418 -5.954 -0.634 1.00 0.70 H new ATOM 0 HB2 MET A 18 5.142 -5.313 2.047 1.00 0.85 H new ATOM 0 HB3 MET A 18 3.508 -5.050 1.472 1.00 0.85 H new ATOM 0 HG2 MET A 18 5.024 -7.573 0.694 1.00 1.99 H new ATOM 0 HG3 MET A 18 4.200 -7.476 2.238 1.00 1.99 H new ATOM 0 HE1 MET A 18 2.104 -9.584 -0.519 1.00 4.80 H new ATOM 0 HE2 MET A 18 3.843 -9.225 -0.640 1.00 4.80 H new ATOM 0 HE3 MET A 18 3.144 -9.722 0.919 1.00 4.80 H new ATOM 278 N LEU A 19 3.826 -3.197 -1.104 1.00 0.46 N ATOM 279 CA LEU A 19 2.761 -2.569 -1.933 1.00 0.49 C ATOM 280 C LEU A 19 3.142 -2.801 -3.387 1.00 0.46 C ATOM 281 O LEU A 19 2.324 -3.131 -4.227 1.00 0.58 O ATOM 282 CB LEU A 19 2.691 -1.062 -1.650 1.00 0.58 C ATOM 283 CG LEU A 19 1.254 -0.549 -1.834 1.00 0.99 C ATOM 284 CD1 LEU A 19 0.775 -0.827 -3.262 1.00 2.97 C ATOM 285 CD2 LEU A 19 0.319 -1.246 -0.839 1.00 1.60 C ATOM 0 H LEU A 19 4.496 -2.546 -0.694 1.00 0.46 H new ATOM 0 HA LEU A 19 1.786 -3.000 -1.706 1.00 0.49 H new ATOM 0 HB2 LEU A 19 3.029 -0.860 -0.633 1.00 0.58 H new ATOM 0 HB3 LEU A 19 3.363 -0.528 -2.321 1.00 0.58 H new ATOM 0 HG LEU A 19 1.240 0.526 -1.653 1.00 0.99 H new ATOM 0 HD11 LEU A 19 -0.244 -0.460 -3.382 1.00 2.97 H new ATOM 0 HD12 LEU A 19 1.429 -0.319 -3.971 1.00 2.97 H new ATOM 0 HD13 LEU A 19 0.798 -1.900 -3.451 1.00 2.97 H new ATOM 0 HD21 LEU A 19 -0.698 -0.877 -0.975 1.00 1.60 H new ATOM 0 HD22 LEU A 19 0.341 -2.322 -1.012 1.00 1.60 H new ATOM 0 HD23 LEU A 19 0.648 -1.035 0.179 1.00 1.60 H new ATOM 297 N VAL A 20 4.407 -2.652 -3.667 1.00 0.44 N ATOM 298 CA VAL A 20 4.920 -2.878 -5.038 1.00 0.50 C ATOM 299 C VAL A 20 4.962 -4.387 -5.312 1.00 0.59 C ATOM 300 O VAL A 20 4.927 -4.814 -6.448 1.00 0.70 O ATOM 301 CB VAL A 20 6.329 -2.290 -5.137 1.00 0.61 C ATOM 302 CG1 VAL A 20 6.862 -2.466 -6.554 1.00 0.71 C ATOM 303 CG2 VAL A 20 6.283 -0.799 -4.797 1.00 0.65 C ATOM 0 H VAL A 20 5.116 -2.378 -2.987 1.00 0.44 H new ATOM 0 HA VAL A 20 4.273 -2.398 -5.772 1.00 0.50 H new ATOM 0 HB VAL A 20 6.984 -2.807 -4.436 1.00 0.61 H new ATOM 0 HG11 VAL A 20 7.866 -2.046 -6.620 1.00 0.71 H new ATOM 0 HG12 VAL A 20 6.896 -3.527 -6.801 1.00 0.71 H new ATOM 0 HG13 VAL A 20 6.206 -1.951 -7.256 1.00 0.71 H new ATOM 0 HG21 VAL A 20 7.286 -0.379 -4.867 1.00 0.65 H new ATOM 0 HG22 VAL A 20 5.625 -0.286 -5.498 1.00 0.65 H new ATOM 0 HG23 VAL A 20 5.905 -0.669 -3.783 1.00 0.65 H new ATOM 313 N GLU A 21 5.033 -5.196 -4.276 1.00 0.62 N ATOM 314 CA GLU A 21 5.069 -6.674 -4.473 1.00 0.77 C ATOM 315 C GLU A 21 3.768 -7.121 -5.141 1.00 0.74 C ATOM 316 O GLU A 21 3.778 -7.880 -6.099 1.00 0.75 O ATOM 317 CB GLU A 21 5.210 -7.368 -3.116 1.00 0.98 C ATOM 318 CG GLU A 21 6.693 -7.582 -2.801 1.00 1.28 C ATOM 319 CD GLU A 21 6.849 -8.793 -1.880 1.00 1.90 C ATOM 320 OE1 GLU A 21 6.752 -8.615 -0.678 1.00 3.07 O ATOM 321 OE2 GLU A 21 7.064 -9.878 -2.393 1.00 2.50 O ATOM 0 H GLU A 21 5.067 -4.890 -3.304 1.00 0.62 H new ATOM 0 HA GLU A 21 5.917 -6.940 -5.104 1.00 0.77 H new ATOM 0 HB2 GLU A 21 4.746 -6.763 -2.337 1.00 0.98 H new ATOM 0 HB3 GLU A 21 4.689 -8.325 -3.130 1.00 0.98 H new ATOM 0 HG2 GLU A 21 7.253 -7.738 -3.723 1.00 1.28 H new ATOM 0 HG3 GLU A 21 7.106 -6.693 -2.324 1.00 1.28 H new ATOM 328 N LEU A 22 2.645 -6.651 -4.651 1.00 0.81 N ATOM 329 CA LEU A 22 1.350 -7.045 -5.275 1.00 0.92 C ATOM 330 C LEU A 22 1.287 -6.467 -6.687 1.00 0.85 C ATOM 331 O LEU A 22 0.779 -7.091 -7.595 1.00 0.98 O ATOM 332 CB LEU A 22 0.167 -6.521 -4.456 1.00 1.13 C ATOM 333 CG LEU A 22 -1.004 -7.507 -4.571 1.00 1.07 C ATOM 334 CD1 LEU A 22 -2.188 -6.996 -3.758 1.00 1.68 C ATOM 335 CD2 LEU A 22 -1.429 -7.647 -6.036 1.00 1.99 C ATOM 0 H LEU A 22 2.573 -6.018 -3.854 1.00 0.81 H new ATOM 0 HA LEU A 22 1.289 -8.133 -5.307 1.00 0.92 H new ATOM 0 HB2 LEU A 22 0.457 -6.402 -3.412 1.00 1.13 H new ATOM 0 HB3 LEU A 22 -0.133 -5.538 -4.817 1.00 1.13 H new ATOM 0 HG LEU A 22 -0.685 -8.477 -4.190 1.00 1.07 H new ATOM 0 HD11 LEU A 22 -3.017 -7.698 -3.842 1.00 1.68 H new ATOM 0 HD12 LEU A 22 -1.897 -6.901 -2.712 1.00 1.68 H new ATOM 0 HD13 LEU A 22 -2.497 -6.022 -4.138 1.00 1.68 H new ATOM 0 HD21 LEU A 22 -2.260 -8.348 -6.108 1.00 1.99 H new ATOM 0 HD22 LEU A 22 -1.740 -6.675 -6.419 1.00 1.99 H new ATOM 0 HD23 LEU A 22 -0.590 -8.017 -6.625 1.00 1.99 H new ATOM 347 N ALA A 23 1.816 -5.285 -6.881 1.00 0.77 N ATOM 348 CA ALA A 23 1.808 -4.679 -8.247 1.00 0.86 C ATOM 349 C ALA A 23 2.810 -5.426 -9.145 1.00 0.86 C ATOM 350 O ALA A 23 2.765 -5.326 -10.356 1.00 1.13 O ATOM 351 CB ALA A 23 2.200 -3.205 -8.159 1.00 0.92 C ATOM 0 H ALA A 23 2.251 -4.715 -6.155 1.00 0.77 H new ATOM 0 HA ALA A 23 0.808 -4.760 -8.672 1.00 0.86 H new ATOM 0 HB1 ALA A 23 2.193 -2.766 -9.157 1.00 0.92 H new ATOM 0 HB2 ALA A 23 1.488 -2.676 -7.525 1.00 0.92 H new ATOM 0 HB3 ALA A 23 3.199 -3.119 -7.732 1.00 0.92 H new ATOM 357 N ASN A 24 3.704 -6.188 -8.556 1.00 0.75 N ATOM 358 CA ASN A 24 4.700 -6.960 -9.350 1.00 0.86 C ATOM 359 C ASN A 24 4.131 -8.347 -9.684 1.00 0.96 C ATOM 360 O ASN A 24 4.699 -9.067 -10.479 1.00 1.15 O ATOM 361 CB ASN A 24 5.985 -7.121 -8.535 1.00 0.92 C ATOM 362 CG ASN A 24 6.957 -5.993 -8.881 1.00 1.65 C ATOM 363 OD1 ASN A 24 6.548 -4.876 -9.128 1.00 2.78 O ATOM 364 ND2 ASN A 24 8.239 -6.239 -8.909 1.00 2.06 N ATOM 0 H ASN A 24 3.782 -6.305 -7.546 1.00 0.75 H new ATOM 0 HA ASN A 24 4.917 -6.426 -10.275 1.00 0.86 H new ATOM 0 HB2 ASN A 24 5.756 -7.103 -7.469 1.00 0.92 H new ATOM 0 HB3 ASN A 24 6.443 -8.087 -8.747 1.00 0.92 H new ATOM 0 HD21 ASN A 24 8.896 -5.494 -9.138 1.00 2.06 H new ATOM 0 HD22 ASN A 24 8.583 -7.177 -8.702 1.00 2.06 H new ATOM 371 N PHE A 25 3.012 -8.722 -9.069 1.00 0.91 N ATOM 372 CA PHE A 25 2.356 -10.059 -9.318 1.00 1.09 C ATOM 373 C PHE A 25 2.513 -10.499 -10.781 1.00 1.22 C ATOM 374 O PHE A 25 3.117 -11.512 -11.065 1.00 1.35 O ATOM 375 CB PHE A 25 0.858 -9.922 -9.002 1.00 1.10 C ATOM 376 CG PHE A 25 0.507 -10.697 -7.760 1.00 1.22 C ATOM 377 CD1 PHE A 25 1.137 -10.405 -6.549 1.00 1.89 C ATOM 378 CD2 PHE A 25 -0.458 -11.706 -7.825 1.00 2.38 C ATOM 379 CE1 PHE A 25 0.801 -11.124 -5.398 1.00 1.97 C ATOM 380 CE2 PHE A 25 -0.797 -12.424 -6.679 1.00 2.58 C ATOM 381 CZ PHE A 25 -0.167 -12.135 -5.461 1.00 1.66 C ATOM 0 H PHE A 25 2.521 -8.139 -8.391 1.00 0.91 H new ATOM 0 HA PHE A 25 2.832 -10.807 -8.685 1.00 1.09 H new ATOM 0 HB2 PHE A 25 0.604 -8.871 -8.866 1.00 1.10 H new ATOM 0 HB3 PHE A 25 0.268 -10.286 -9.843 1.00 1.10 H new ATOM 0 HD1 PHE A 25 1.883 -9.625 -6.501 1.00 1.89 H new ATOM 0 HD2 PHE A 25 -0.942 -11.930 -8.764 1.00 2.38 H new ATOM 0 HE1 PHE A 25 1.288 -10.900 -4.460 1.00 1.97 H new ATOM 0 HE2 PHE A 25 -1.544 -13.202 -6.730 1.00 2.58 H new ATOM 0 HZ PHE A 25 -0.427 -12.691 -4.572 1.00 1.66 H new ATOM 391 N GLU A 26 1.985 -9.713 -11.695 1.00 1.39 N ATOM 392 CA GLU A 26 2.081 -10.017 -13.170 1.00 1.60 C ATOM 393 C GLU A 26 1.031 -11.060 -13.594 1.00 1.97 C ATOM 394 O GLU A 26 0.185 -10.780 -14.423 1.00 3.34 O ATOM 395 CB GLU A 26 3.483 -10.524 -13.542 1.00 1.83 C ATOM 396 CG GLU A 26 3.746 -10.261 -15.027 1.00 2.62 C ATOM 397 CD GLU A 26 5.242 -10.403 -15.314 1.00 2.63 C ATOM 398 OE1 GLU A 26 5.717 -11.526 -15.331 1.00 3.36 O ATOM 399 OE2 GLU A 26 5.886 -9.387 -15.512 1.00 2.88 O ATOM 0 H GLU A 26 1.480 -8.854 -11.478 1.00 1.39 H new ATOM 0 HA GLU A 26 1.888 -9.085 -13.702 1.00 1.60 H new ATOM 0 HB2 GLU A 26 4.236 -10.022 -12.934 1.00 1.83 H new ATOM 0 HB3 GLU A 26 3.563 -11.590 -13.331 1.00 1.83 H new ATOM 0 HG2 GLU A 26 3.180 -10.964 -15.638 1.00 2.62 H new ATOM 0 HG3 GLU A 26 3.407 -9.261 -15.296 1.00 2.62 H new ATOM 406 N LYS A 27 1.082 -12.257 -13.057 1.00 1.28 N ATOM 407 CA LYS A 27 0.096 -13.306 -13.456 1.00 1.55 C ATOM 408 C LYS A 27 -1.312 -12.903 -13.005 1.00 1.62 C ATOM 409 O LYS A 27 -2.098 -12.402 -13.787 1.00 1.82 O ATOM 410 CB LYS A 27 0.485 -14.643 -12.815 1.00 1.97 C ATOM 411 CG LYS A 27 1.700 -15.225 -13.543 1.00 1.99 C ATOM 412 CD LYS A 27 1.234 -16.205 -14.624 1.00 3.29 C ATOM 413 CE LYS A 27 1.224 -15.507 -15.989 1.00 4.55 C ATOM 414 NZ LYS A 27 2.467 -15.856 -16.734 1.00 5.35 N ATOM 0 H LYS A 27 1.766 -12.550 -12.359 1.00 1.28 H new ATOM 0 HA LYS A 27 0.102 -13.409 -14.541 1.00 1.55 H new ATOM 0 HB2 LYS A 27 0.715 -14.499 -11.759 1.00 1.97 H new ATOM 0 HB3 LYS A 27 -0.351 -15.340 -12.867 1.00 1.97 H new ATOM 0 HG2 LYS A 27 2.285 -14.423 -13.993 1.00 1.99 H new ATOM 0 HG3 LYS A 27 2.352 -15.735 -12.833 1.00 1.99 H new ATOM 0 HD2 LYS A 27 1.896 -17.070 -14.653 1.00 3.29 H new ATOM 0 HD3 LYS A 27 0.236 -16.575 -14.387 1.00 3.29 H new ATOM 0 HE2 LYS A 27 0.347 -15.813 -16.560 1.00 4.55 H new ATOM 0 HE3 LYS A 27 1.157 -14.427 -15.857 1.00 4.55 H new ATOM 0 HZ1 LYS A 27 2.461 -15.383 -17.660 1.00 5.35 H new ATOM 0 HZ2 LYS A 27 3.297 -15.543 -16.191 1.00 5.35 H new ATOM 0 HZ3 LYS A 27 2.512 -16.886 -16.872 1.00 5.35 H new ATOM 428 N ASN A 28 -1.638 -13.120 -11.753 1.00 1.74 N ATOM 429 CA ASN A 28 -2.997 -12.754 -11.253 1.00 1.99 C ATOM 430 C ASN A 28 -3.230 -11.249 -11.428 1.00 1.89 C ATOM 431 O ASN A 28 -4.357 -10.794 -11.492 1.00 2.34 O ATOM 432 CB ASN A 28 -3.108 -13.116 -9.771 1.00 2.22 C ATOM 433 CG ASN A 28 -4.535 -13.570 -9.461 1.00 2.94 C ATOM 434 OD1 ASN A 28 -5.073 -14.428 -10.133 1.00 3.54 O ATOM 435 ND2 ASN A 28 -5.176 -13.027 -8.462 1.00 3.78 N ATOM 0 H ASN A 28 -1.019 -13.535 -11.057 1.00 1.74 H new ATOM 0 HA ASN A 28 -3.748 -13.302 -11.823 1.00 1.99 H new ATOM 0 HB2 ASN A 28 -2.402 -13.909 -9.526 1.00 2.22 H new ATOM 0 HB3 ASN A 28 -2.847 -12.255 -9.155 1.00 2.22 H new ATOM 0 HD21 ASN A 28 -6.128 -13.323 -8.246 1.00 3.78 H new ATOM 0 HD22 ASN A 28 -4.725 -12.307 -7.898 1.00 3.78 H new ATOM 442 N VAL A 29 -2.175 -10.475 -11.502 1.00 1.52 N ATOM 443 CA VAL A 29 -2.331 -9.002 -11.668 1.00 1.65 C ATOM 444 C VAL A 29 -1.543 -8.562 -12.899 1.00 1.93 C ATOM 445 O VAL A 29 -0.365 -8.270 -12.819 1.00 2.70 O ATOM 446 CB VAL A 29 -1.768 -8.260 -10.452 1.00 1.34 C ATOM 447 CG1 VAL A 29 -2.453 -6.909 -10.323 1.00 1.48 C ATOM 448 CG2 VAL A 29 -1.999 -9.052 -9.159 1.00 1.24 C ATOM 0 H VAL A 29 -1.211 -10.804 -11.454 1.00 1.52 H new ATOM 0 HA VAL A 29 -3.391 -8.771 -11.774 1.00 1.65 H new ATOM 0 HB VAL A 29 -0.695 -8.136 -10.600 1.00 1.34 H new ATOM 0 HG11 VAL A 29 -2.053 -6.380 -9.458 1.00 1.48 H new ATOM 0 HG12 VAL A 29 -2.272 -6.322 -11.223 1.00 1.48 H new ATOM 0 HG13 VAL A 29 -3.525 -7.056 -10.195 1.00 1.48 H new ATOM 0 HG21 VAL A 29 -1.588 -8.498 -8.315 1.00 1.24 H new ATOM 0 HG22 VAL A 29 -3.068 -9.200 -9.009 1.00 1.24 H new ATOM 0 HG23 VAL A 29 -1.505 -10.021 -9.233 1.00 1.24 H new ATOM 458 N SER A 30 -2.183 -8.517 -14.027 1.00 2.54 N ATOM 459 CA SER A 30 -1.488 -8.101 -15.276 1.00 2.86 C ATOM 460 C SER A 30 -0.995 -6.654 -15.137 1.00 3.37 C ATOM 461 O SER A 30 -0.830 -6.152 -14.041 1.00 4.09 O ATOM 462 CB SER A 30 -2.476 -8.207 -16.427 1.00 4.23 C ATOM 463 OG SER A 30 -1.769 -8.398 -17.645 1.00 4.64 O ATOM 0 H SER A 30 -3.169 -8.753 -14.142 1.00 2.54 H new ATOM 0 HA SER A 30 -0.627 -8.743 -15.463 1.00 2.86 H new ATOM 0 HB2 SER A 30 -3.160 -9.039 -16.257 1.00 4.23 H new ATOM 0 HB3 SER A 30 -3.082 -7.303 -16.484 1.00 4.23 H new ATOM 0 HG SER A 30 -2.407 -8.468 -18.386 1.00 4.64 H new ATOM 469 N GLN A 31 -0.750 -5.983 -16.238 1.00 4.20 N ATOM 470 CA GLN A 31 -0.259 -4.577 -16.172 1.00 5.72 C ATOM 471 C GLN A 31 -1.410 -3.605 -16.454 1.00 6.11 C ATOM 472 O GLN A 31 -1.202 -2.528 -16.982 1.00 7.54 O ATOM 473 CB GLN A 31 0.845 -4.374 -17.216 1.00 7.32 C ATOM 474 CG GLN A 31 2.223 -4.573 -16.565 1.00 8.06 C ATOM 475 CD GLN A 31 2.889 -5.834 -17.126 1.00 8.04 C ATOM 476 OE1 GLN A 31 4.080 -5.849 -17.364 1.00 9.18 O ATOM 477 NE2 GLN A 31 2.166 -6.896 -17.349 1.00 7.21 N ATOM 0 H GLN A 31 -0.871 -6.353 -17.181 1.00 4.20 H new ATOM 0 HA GLN A 31 0.136 -4.383 -15.175 1.00 5.72 H new ATOM 0 HB2 GLN A 31 0.716 -5.079 -18.037 1.00 7.32 H new ATOM 0 HB3 GLN A 31 0.775 -3.373 -17.642 1.00 7.32 H new ATOM 0 HG2 GLN A 31 2.853 -3.704 -16.754 1.00 8.06 H new ATOM 0 HG3 GLN A 31 2.115 -4.659 -15.484 1.00 8.06 H new ATOM 0 HE21 GLN A 31 1.166 -6.883 -17.149 1.00 7.21 H new ATOM 0 HE22 GLN A 31 2.601 -7.739 -17.723 1.00 7.21 H new ATOM 486 N ALA A 32 -2.623 -3.970 -16.107 1.00 5.06 N ATOM 487 CA ALA A 32 -3.783 -3.059 -16.357 1.00 5.46 C ATOM 488 C ALA A 32 -5.072 -3.687 -15.813 1.00 4.18 C ATOM 489 O ALA A 32 -6.101 -3.676 -16.464 1.00 4.69 O ATOM 490 CB ALA A 32 -3.926 -2.817 -17.863 1.00 6.81 C ATOM 0 H ALA A 32 -2.858 -4.858 -15.663 1.00 5.06 H new ATOM 0 HA ALA A 32 -3.608 -2.111 -15.849 1.00 5.46 H new ATOM 0 HB1 ALA A 32 -4.771 -2.153 -18.046 1.00 6.81 H new ATOM 0 HB2 ALA A 32 -3.014 -2.358 -18.246 1.00 6.81 H new ATOM 0 HB3 ALA A 32 -4.094 -3.767 -18.370 1.00 6.81 H new ATOM 496 N ILE A 33 -5.024 -4.232 -14.623 1.00 2.94 N ATOM 497 CA ILE A 33 -6.246 -4.862 -14.030 1.00 1.90 C ATOM 498 C ILE A 33 -7.023 -3.812 -13.229 1.00 2.20 C ATOM 499 O ILE A 33 -6.521 -2.740 -12.948 1.00 3.05 O ATOM 500 CB ILE A 33 -5.848 -6.011 -13.088 1.00 1.64 C ATOM 501 CG1 ILE A 33 -4.714 -6.852 -13.701 1.00 1.87 C ATOM 502 CG2 ILE A 33 -7.058 -6.905 -12.832 1.00 2.48 C ATOM 503 CD1 ILE A 33 -5.145 -7.421 -15.057 1.00 2.27 C ATOM 0 H ILE A 33 -4.191 -4.268 -14.035 1.00 2.94 H new ATOM 0 HA ILE A 33 -6.866 -5.254 -14.837 1.00 1.90 H new ATOM 0 HB ILE A 33 -5.497 -5.582 -12.149 1.00 1.64 H new ATOM 0 HG12 ILE A 33 -3.822 -6.237 -13.824 1.00 1.87 H new ATOM 0 HG13 ILE A 33 -4.450 -7.665 -13.025 1.00 1.87 H new ATOM 0 HG21 ILE A 33 -6.774 -7.719 -12.164 1.00 2.48 H new ATOM 0 HG22 ILE A 33 -7.853 -6.318 -12.372 1.00 2.48 H new ATOM 0 HG23 ILE A 33 -7.412 -7.318 -13.777 1.00 2.48 H new ATOM 0 HD11 ILE A 33 -4.333 -8.013 -15.478 1.00 2.27 H new ATOM 0 HD12 ILE A 33 -6.023 -8.053 -14.924 1.00 2.27 H new ATOM 0 HD13 ILE A 33 -5.386 -6.602 -15.735 1.00 2.27 H new ATOM 515 N HIS A 34 -8.242 -4.117 -12.853 1.00 2.00 N ATOM 516 CA HIS A 34 -9.053 -3.145 -12.061 1.00 2.28 C ATOM 517 C HIS A 34 -8.469 -3.034 -10.649 1.00 1.89 C ATOM 518 O HIS A 34 -8.308 -1.952 -10.118 1.00 2.22 O ATOM 519 CB HIS A 34 -10.507 -3.626 -11.985 1.00 2.80 C ATOM 520 CG HIS A 34 -10.550 -5.042 -11.481 1.00 2.63 C ATOM 521 ND1 HIS A 34 -10.600 -5.345 -10.129 1.00 3.26 N ATOM 522 CD2 HIS A 34 -10.552 -6.250 -12.135 1.00 2.93 C ATOM 523 CE1 HIS A 34 -10.630 -6.685 -10.014 1.00 3.33 C ATOM 524 NE2 HIS A 34 -10.603 -7.286 -11.207 1.00 3.10 N ATOM 0 H HIS A 34 -8.709 -4.999 -13.062 1.00 2.00 H new ATOM 0 HA HIS A 34 -9.027 -2.168 -12.544 1.00 2.28 H new ATOM 0 HB2 HIS A 34 -11.080 -2.977 -11.323 1.00 2.80 H new ATOM 0 HB3 HIS A 34 -10.971 -3.567 -12.969 1.00 2.80 H new ATOM 0 HD2 HIS A 34 -10.519 -6.377 -13.207 1.00 2.93 H new ATOM 0 HE1 HIS A 34 -10.671 -7.211 -9.072 1.00 3.33 H new ATOM 0 HE2 HIS A 34 -10.617 -8.288 -11.397 1.00 3.10 H new ATOM 532 N LYS A 35 -8.137 -4.149 -10.048 1.00 1.47 N ATOM 533 CA LYS A 35 -7.543 -4.124 -8.675 1.00 1.18 C ATOM 534 C LYS A 35 -6.045 -3.800 -8.769 1.00 1.04 C ATOM 535 O LYS A 35 -5.435 -3.364 -7.812 1.00 1.10 O ATOM 536 CB LYS A 35 -7.730 -5.492 -8.014 1.00 1.29 C ATOM 537 CG LYS A 35 -7.163 -6.584 -8.926 1.00 2.72 C ATOM 538 CD LYS A 35 -6.792 -7.810 -8.089 1.00 3.31 C ATOM 539 CE LYS A 35 -7.028 -9.080 -8.908 1.00 4.68 C ATOM 540 NZ LYS A 35 -8.431 -9.543 -8.716 1.00 4.81 N ATOM 0 H LYS A 35 -8.252 -5.079 -10.450 1.00 1.47 H new ATOM 0 HA LYS A 35 -8.041 -3.360 -8.078 1.00 1.18 H new ATOM 0 HB2 LYS A 35 -7.226 -5.513 -7.048 1.00 1.29 H new ATOM 0 HB3 LYS A 35 -8.788 -5.675 -7.825 1.00 1.29 H new ATOM 0 HG2 LYS A 35 -7.898 -6.857 -9.683 1.00 2.72 H new ATOM 0 HG3 LYS A 35 -6.285 -6.212 -9.453 1.00 2.72 H new ATOM 0 HD2 LYS A 35 -5.748 -7.751 -7.783 1.00 3.31 H new ATOM 0 HD3 LYS A 35 -7.390 -7.836 -7.178 1.00 3.31 H new ATOM 0 HE2 LYS A 35 -6.840 -8.885 -9.964 1.00 4.68 H new ATOM 0 HE3 LYS A 35 -6.331 -9.859 -8.599 1.00 4.68 H new ATOM 0 HZ1 LYS A 35 -8.591 -10.407 -9.273 1.00 4.81 H new ATOM 0 HZ2 LYS A 35 -8.595 -9.745 -7.709 1.00 4.81 H new ATOM 0 HZ3 LYS A 35 -9.088 -8.801 -9.032 1.00 4.81 H new ATOM 554 N TYR A 36 -5.453 -4.014 -9.919 1.00 0.97 N ATOM 555 CA TYR A 36 -4.002 -3.724 -10.101 1.00 0.91 C ATOM 556 C TYR A 36 -3.755 -2.222 -9.903 1.00 0.89 C ATOM 557 O TYR A 36 -2.695 -1.812 -9.468 1.00 0.99 O ATOM 558 CB TYR A 36 -3.610 -4.150 -11.523 1.00 0.98 C ATOM 559 CG TYR A 36 -2.169 -3.806 -11.827 1.00 0.96 C ATOM 560 CD1 TYR A 36 -1.156 -4.105 -10.909 1.00 1.85 C ATOM 561 CD2 TYR A 36 -1.856 -3.188 -13.039 1.00 2.26 C ATOM 562 CE1 TYR A 36 0.171 -3.781 -11.207 1.00 2.00 C ATOM 563 CE2 TYR A 36 -0.532 -2.865 -13.339 1.00 2.26 C ATOM 564 CZ TYR A 36 0.485 -3.160 -12.423 1.00 1.23 C ATOM 565 OH TYR A 36 1.794 -2.840 -12.718 1.00 1.45 O ATOM 0 H TYR A 36 -5.922 -4.382 -10.747 1.00 0.97 H new ATOM 0 HA TYR A 36 -3.402 -4.270 -9.373 1.00 0.91 H new ATOM 0 HB2 TYR A 36 -3.761 -5.223 -11.637 1.00 0.98 H new ATOM 0 HB3 TYR A 36 -4.263 -3.658 -12.244 1.00 0.98 H new ATOM 0 HD1 TYR A 36 -1.399 -4.585 -9.972 1.00 1.85 H new ATOM 0 HD2 TYR A 36 -2.640 -2.959 -13.746 1.00 2.26 H new ATOM 0 HE1 TYR A 36 0.954 -4.010 -10.500 1.00 2.00 H new ATOM 0 HE2 TYR A 36 -0.292 -2.388 -14.278 1.00 2.26 H new ATOM 0 HH TYR A 36 1.836 -2.416 -13.601 1.00 1.45 H new ATOM 575 N ASN A 37 -4.726 -1.404 -10.224 1.00 0.84 N ATOM 576 CA ASN A 37 -4.559 0.071 -10.061 1.00 0.87 C ATOM 577 C ASN A 37 -4.545 0.434 -8.571 1.00 0.78 C ATOM 578 O ASN A 37 -3.981 1.436 -8.178 1.00 0.77 O ATOM 579 CB ASN A 37 -5.719 0.794 -10.749 1.00 0.95 C ATOM 580 CG ASN A 37 -5.417 0.949 -12.240 1.00 1.73 C ATOM 581 OD1 ASN A 37 -4.896 0.044 -12.862 1.00 2.68 O ATOM 582 ND2 ASN A 37 -5.723 2.065 -12.842 1.00 2.71 N ATOM 0 H ASN A 37 -5.631 -1.697 -10.593 1.00 0.84 H new ATOM 0 HA ASN A 37 -3.616 0.376 -10.513 1.00 0.87 H new ATOM 0 HB2 ASN A 37 -6.643 0.232 -10.612 1.00 0.95 H new ATOM 0 HB3 ASN A 37 -5.871 1.773 -10.295 1.00 0.95 H new ATOM 0 HD21 ASN A 37 -5.525 2.179 -13.836 1.00 2.71 H new ATOM 0 HD22 ASN A 37 -6.160 2.824 -12.319 1.00 2.71 H new ATOM 589 N ALA A 38 -5.169 -0.369 -7.746 1.00 0.82 N ATOM 590 CA ALA A 38 -5.202 -0.074 -6.282 1.00 0.81 C ATOM 591 C ALA A 38 -3.793 -0.173 -5.693 1.00 0.61 C ATOM 592 O ALA A 38 -3.445 0.546 -4.777 1.00 0.57 O ATOM 593 CB ALA A 38 -6.109 -1.087 -5.582 1.00 0.97 C ATOM 0 H ALA A 38 -5.659 -1.219 -8.025 1.00 0.82 H new ATOM 0 HA ALA A 38 -5.584 0.936 -6.132 1.00 0.81 H new ATOM 0 HB1 ALA A 38 -6.135 -0.874 -4.513 1.00 0.97 H new ATOM 0 HB2 ALA A 38 -7.117 -1.016 -5.991 1.00 0.97 H new ATOM 0 HB3 ALA A 38 -5.722 -2.093 -5.742 1.00 0.97 H new ATOM 599 N TYR A 39 -2.987 -1.067 -6.205 1.00 0.66 N ATOM 600 CA TYR A 39 -1.596 -1.229 -5.669 1.00 0.67 C ATOM 601 C TYR A 39 -0.699 -0.155 -6.278 1.00 0.58 C ATOM 602 O TYR A 39 0.160 0.399 -5.621 1.00 0.55 O ATOM 603 CB TYR A 39 -1.029 -2.614 -6.035 1.00 1.01 C ATOM 604 CG TYR A 39 -2.124 -3.657 -6.036 1.00 1.03 C ATOM 605 CD1 TYR A 39 -2.959 -3.793 -4.924 1.00 1.65 C ATOM 606 CD2 TYR A 39 -2.309 -4.474 -7.156 1.00 2.66 C ATOM 607 CE1 TYR A 39 -3.978 -4.748 -4.928 1.00 1.69 C ATOM 608 CE2 TYR A 39 -3.329 -5.430 -7.163 1.00 2.66 C ATOM 609 CZ TYR A 39 -4.166 -5.567 -6.047 1.00 1.10 C ATOM 610 OH TYR A 39 -5.174 -6.510 -6.051 1.00 1.16 O ATOM 0 H TYR A 39 -3.230 -1.694 -6.972 1.00 0.66 H new ATOM 0 HA TYR A 39 -1.627 -1.134 -4.584 1.00 0.67 H new ATOM 0 HB2 TYR A 39 -0.559 -2.572 -7.018 1.00 1.01 H new ATOM 0 HB3 TYR A 39 -0.253 -2.895 -5.323 1.00 1.01 H new ATOM 0 HD1 TYR A 39 -2.816 -3.159 -4.061 1.00 1.65 H new ATOM 0 HD2 TYR A 39 -1.664 -4.366 -8.015 1.00 2.66 H new ATOM 0 HE1 TYR A 39 -4.621 -4.855 -4.067 1.00 1.69 H new ATOM 0 HE2 TYR A 39 -3.472 -6.062 -8.027 1.00 2.66 H new ATOM 0 HH TYR A 39 -5.801 -6.322 -5.321 1.00 1.16 H new ATOM 620 N ARG A 40 -0.895 0.132 -7.534 1.00 0.64 N ATOM 621 CA ARG A 40 -0.063 1.163 -8.217 1.00 0.65 C ATOM 622 C ARG A 40 -0.241 2.518 -7.521 1.00 0.55 C ATOM 623 O ARG A 40 0.687 3.303 -7.425 1.00 0.61 O ATOM 624 CB ARG A 40 -0.510 1.265 -9.674 1.00 0.81 C ATOM 625 CG ARG A 40 0.427 2.205 -10.435 1.00 1.18 C ATOM 626 CD ARG A 40 1.831 1.593 -10.506 1.00 0.87 C ATOM 627 NE ARG A 40 2.390 1.754 -11.893 1.00 1.72 N ATOM 628 CZ ARG A 40 1.742 1.347 -12.965 1.00 2.77 C ATOM 629 NH1 ARG A 40 0.662 0.607 -12.875 1.00 3.79 N ATOM 630 NH2 ARG A 40 2.218 1.637 -14.145 1.00 3.75 N ATOM 0 H ARG A 40 -1.603 -0.307 -8.123 1.00 0.64 H new ATOM 0 HA ARG A 40 0.989 0.882 -8.171 1.00 0.65 H new ATOM 0 HB2 ARG A 40 -0.505 0.278 -10.136 1.00 0.81 H new ATOM 0 HB3 ARG A 40 -1.534 1.636 -9.726 1.00 0.81 H new ATOM 0 HG2 ARG A 40 0.045 2.379 -11.441 1.00 1.18 H new ATOM 0 HG3 ARG A 40 0.467 3.174 -9.938 1.00 1.18 H new ATOM 0 HD2 ARG A 40 2.486 2.078 -9.782 1.00 0.87 H new ATOM 0 HD3 ARG A 40 1.790 0.536 -10.241 1.00 0.87 H new ATOM 0 HE ARG A 40 3.303 2.194 -12.007 1.00 1.72 H new ATOM 0 HH11 ARG A 40 0.306 0.334 -11.959 1.00 3.79 H new ATOM 0 HH12 ARG A 40 0.179 0.305 -13.721 1.00 3.79 H new ATOM 0 HH21 ARG A 40 3.082 2.173 -14.229 1.00 3.75 H new ATOM 0 HH22 ARG A 40 1.726 1.328 -14.983 1.00 3.75 H new ATOM 644 N LYS A 41 -1.423 2.792 -7.032 1.00 0.57 N ATOM 645 CA LYS A 41 -1.671 4.091 -6.340 1.00 0.69 C ATOM 646 C LYS A 41 -1.173 4.009 -4.896 1.00 0.72 C ATOM 647 O LYS A 41 -0.555 4.927 -4.394 1.00 0.81 O ATOM 648 CB LYS A 41 -3.171 4.394 -6.346 1.00 0.86 C ATOM 649 CG LYS A 41 -3.563 5.013 -7.690 1.00 1.13 C ATOM 650 CD LYS A 41 -5.001 4.618 -8.036 1.00 1.82 C ATOM 651 CE LYS A 41 -5.687 5.774 -8.766 1.00 2.23 C ATOM 652 NZ LYS A 41 -7.088 5.389 -9.099 1.00 3.22 N ATOM 0 H LYS A 41 -2.229 2.169 -7.083 1.00 0.57 H new ATOM 0 HA LYS A 41 -1.137 4.885 -6.861 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -3.738 3.479 -6.176 1.00 0.86 H new ATOM 0 HB3 LYS A 41 -3.418 5.077 -5.533 1.00 0.86 H new ATOM 0 HG2 LYS A 41 -3.475 6.098 -7.642 1.00 1.13 H new ATOM 0 HG3 LYS A 41 -2.883 4.672 -8.471 1.00 1.13 H new ATOM 0 HD2 LYS A 41 -5.003 3.726 -8.662 1.00 1.82 H new ATOM 0 HD3 LYS A 41 -5.550 4.371 -7.127 1.00 1.82 H new ATOM 0 HE2 LYS A 41 -5.683 6.667 -8.141 1.00 2.23 H new ATOM 0 HE3 LYS A 41 -5.140 6.019 -9.676 1.00 2.23 H new ATOM 0 HZ1 LYS A 41 -7.555 6.174 -9.595 1.00 3.22 H new ATOM 0 HZ2 LYS A 41 -7.081 4.548 -9.711 1.00 3.22 H new ATOM 0 HZ3 LYS A 41 -7.607 5.175 -8.223 1.00 3.22 H new ATOM 666 N ALA A 42 -1.438 2.914 -4.227 1.00 0.74 N ATOM 667 CA ALA A 42 -0.978 2.770 -2.812 1.00 0.90 C ATOM 668 C ALA A 42 0.547 2.658 -2.759 1.00 0.99 C ATOM 669 O ALA A 42 1.131 2.753 -1.703 1.00 1.55 O ATOM 670 CB ALA A 42 -1.610 1.519 -2.184 1.00 0.84 C ATOM 0 H ALA A 42 -1.952 2.115 -4.599 1.00 0.74 H new ATOM 0 HA ALA A 42 -1.287 3.652 -2.251 1.00 0.90 H new ATOM 0 HB1 ALA A 42 -1.271 1.419 -1.153 1.00 0.84 H new ATOM 0 HB2 ALA A 42 -2.696 1.612 -2.202 1.00 0.84 H new ATOM 0 HB3 ALA A 42 -1.312 0.637 -2.751 1.00 0.84 H new ATOM 676 N ALA A 43 1.196 2.452 -3.874 1.00 0.79 N ATOM 677 CA ALA A 43 2.679 2.328 -3.859 1.00 0.91 C ATOM 678 C ALA A 43 3.320 3.704 -4.051 1.00 0.86 C ATOM 679 O ALA A 43 4.308 4.029 -3.419 1.00 0.86 O ATOM 680 CB ALA A 43 3.105 1.397 -4.987 1.00 1.01 C ATOM 0 H ALA A 43 0.762 2.365 -4.793 1.00 0.79 H new ATOM 0 HA ALA A 43 3.005 1.922 -2.901 1.00 0.91 H new ATOM 0 HB1 ALA A 43 4.190 1.298 -4.987 1.00 1.01 H new ATOM 0 HB2 ALA A 43 2.651 0.417 -4.841 1.00 1.01 H new ATOM 0 HB3 ALA A 43 2.779 1.809 -5.942 1.00 1.01 H new ATOM 686 N SER A 44 2.769 4.511 -4.922 1.00 0.94 N ATOM 687 CA SER A 44 3.347 5.867 -5.164 1.00 1.03 C ATOM 688 C SER A 44 2.902 6.842 -4.065 1.00 0.73 C ATOM 689 O SER A 44 3.515 7.876 -3.868 1.00 0.60 O ATOM 690 CB SER A 44 2.868 6.383 -6.520 1.00 1.38 C ATOM 691 OG SER A 44 3.519 5.657 -7.554 1.00 2.44 O ATOM 0 H SER A 44 1.942 4.289 -5.477 1.00 0.94 H new ATOM 0 HA SER A 44 4.435 5.795 -5.153 1.00 1.03 H new ATOM 0 HB2 SER A 44 1.787 6.269 -6.605 1.00 1.38 H new ATOM 0 HB3 SER A 44 3.085 7.447 -6.615 1.00 1.38 H new ATOM 0 HG SER A 44 3.213 5.984 -8.426 1.00 2.44 H new ATOM 697 N VAL A 45 1.840 6.535 -3.357 1.00 0.74 N ATOM 698 CA VAL A 45 1.359 7.460 -2.286 1.00 0.59 C ATOM 699 C VAL A 45 2.014 7.112 -0.941 1.00 0.49 C ATOM 700 O VAL A 45 2.292 7.988 -0.147 1.00 0.61 O ATOM 701 CB VAL A 45 -0.173 7.367 -2.164 1.00 0.81 C ATOM 702 CG1 VAL A 45 -0.592 5.955 -1.739 1.00 0.93 C ATOM 703 CG2 VAL A 45 -0.673 8.372 -1.117 1.00 0.80 C ATOM 0 H VAL A 45 1.288 5.685 -3.476 1.00 0.74 H new ATOM 0 HA VAL A 45 1.637 8.479 -2.554 1.00 0.59 H new ATOM 0 HB VAL A 45 -0.610 7.595 -3.136 1.00 0.81 H new ATOM 0 HG11 VAL A 45 -1.678 5.907 -1.657 1.00 0.93 H new ATOM 0 HG12 VAL A 45 -0.252 5.235 -2.483 1.00 0.93 H new ATOM 0 HG13 VAL A 45 -0.145 5.718 -0.774 1.00 0.93 H new ATOM 0 HG21 VAL A 45 -1.758 8.302 -1.035 1.00 0.80 H new ATOM 0 HG22 VAL A 45 -0.220 8.147 -0.151 1.00 0.80 H new ATOM 0 HG23 VAL A 45 -0.396 9.382 -1.421 1.00 0.80 H new ATOM 713 N ILE A 46 2.238 5.848 -0.671 1.00 0.48 N ATOM 714 CA ILE A 46 2.847 5.452 0.638 1.00 0.54 C ATOM 715 C ILE A 46 4.361 5.733 0.627 1.00 0.53 C ATOM 716 O ILE A 46 4.907 6.252 1.582 1.00 0.64 O ATOM 717 CB ILE A 46 2.511 3.952 0.897 1.00 0.76 C ATOM 718 CG1 ILE A 46 1.566 3.853 2.098 1.00 1.21 C ATOM 719 CG2 ILE A 46 3.751 3.072 1.160 1.00 1.78 C ATOM 720 CD1 ILE A 46 0.769 2.552 2.015 1.00 1.69 C ATOM 0 H ILE A 46 2.025 5.074 -1.300 1.00 0.48 H new ATOM 0 HA ILE A 46 2.434 6.042 1.457 1.00 0.54 H new ATOM 0 HB ILE A 46 2.047 3.574 -0.014 1.00 0.76 H new ATOM 0 HG12 ILE A 46 2.136 3.884 3.026 1.00 1.21 H new ATOM 0 HG13 ILE A 46 0.888 4.707 2.112 1.00 1.21 H new ATOM 0 HG21 ILE A 46 3.437 2.042 1.331 1.00 1.78 H new ATOM 0 HG22 ILE A 46 4.414 3.110 0.296 1.00 1.78 H new ATOM 0 HG23 ILE A 46 4.279 3.441 2.039 1.00 1.78 H new ATOM 0 HD11 ILE A 46 0.097 2.482 2.870 1.00 1.69 H new ATOM 0 HD12 ILE A 46 0.187 2.540 1.094 1.00 1.69 H new ATOM 0 HD13 ILE A 46 1.454 1.704 2.022 1.00 1.69 H new ATOM 732 N ALA A 47 5.042 5.371 -0.433 1.00 0.57 N ATOM 733 CA ALA A 47 6.522 5.587 -0.500 1.00 0.65 C ATOM 734 C ALA A 47 6.866 7.048 -0.177 1.00 0.73 C ATOM 735 O ALA A 47 7.720 7.318 0.646 1.00 0.94 O ATOM 736 CB ALA A 47 7.016 5.221 -1.894 1.00 0.74 C ATOM 0 H ALA A 47 4.634 4.933 -1.259 1.00 0.57 H new ATOM 0 HA ALA A 47 7.014 4.953 0.238 1.00 0.65 H new ATOM 0 HB1 ALA A 47 8.093 5.376 -1.950 1.00 0.74 H new ATOM 0 HB2 ALA A 47 6.789 4.175 -2.098 1.00 0.74 H new ATOM 0 HB3 ALA A 47 6.520 5.850 -2.633 1.00 0.74 H new ATOM 742 N LYS A 48 6.191 7.987 -0.792 1.00 0.67 N ATOM 743 CA LYS A 48 6.463 9.425 -0.487 1.00 0.79 C ATOM 744 C LYS A 48 5.977 9.708 0.939 1.00 0.78 C ATOM 745 O LYS A 48 6.531 10.520 1.654 1.00 0.98 O ATOM 746 CB LYS A 48 5.708 10.315 -1.476 1.00 0.81 C ATOM 747 CG LYS A 48 6.568 10.534 -2.722 1.00 1.51 C ATOM 748 CD LYS A 48 6.102 11.796 -3.451 1.00 1.78 C ATOM 749 CE LYS A 48 7.292 12.453 -4.159 1.00 2.69 C ATOM 750 NZ LYS A 48 6.877 12.900 -5.520 1.00 3.19 N ATOM 0 H LYS A 48 5.466 7.821 -1.490 1.00 0.67 H new ATOM 0 HA LYS A 48 7.529 9.635 -0.573 1.00 0.79 H new ATOM 0 HB2 LYS A 48 4.761 9.850 -1.751 1.00 0.81 H new ATOM 0 HB3 LYS A 48 5.470 11.272 -1.012 1.00 0.81 H new ATOM 0 HG2 LYS A 48 7.617 10.631 -2.440 1.00 1.51 H new ATOM 0 HG3 LYS A 48 6.494 9.671 -3.384 1.00 1.51 H new ATOM 0 HD2 LYS A 48 5.329 11.544 -4.177 1.00 1.78 H new ATOM 0 HD3 LYS A 48 5.658 12.494 -2.742 1.00 1.78 H new ATOM 0 HE2 LYS A 48 7.649 13.304 -3.579 1.00 2.69 H new ATOM 0 HE3 LYS A 48 8.119 11.747 -4.233 1.00 2.69 H new ATOM 0 HZ1 LYS A 48 7.685 13.346 -6.000 1.00 3.19 H new ATOM 0 HZ2 LYS A 48 6.556 12.079 -6.072 1.00 3.19 H new ATOM 0 HZ3 LYS A 48 6.101 13.587 -5.438 1.00 3.19 H new ATOM 764 N TYR A 49 4.949 9.014 1.355 1.00 0.70 N ATOM 765 CA TYR A 49 4.394 9.175 2.733 1.00 0.87 C ATOM 766 C TYR A 49 5.516 8.938 3.761 1.00 0.94 C ATOM 767 O TYR A 49 6.476 8.261 3.449 1.00 1.02 O ATOM 768 CB TYR A 49 3.304 8.099 2.898 1.00 1.12 C ATOM 769 CG TYR A 49 2.129 8.571 3.728 1.00 0.99 C ATOM 770 CD1 TYR A 49 1.668 9.892 3.652 1.00 1.83 C ATOM 771 CD2 TYR A 49 1.493 7.662 4.583 1.00 1.83 C ATOM 772 CE1 TYR A 49 0.585 10.297 4.431 1.00 2.21 C ATOM 773 CE2 TYR A 49 0.407 8.072 5.359 1.00 1.91 C ATOM 774 CZ TYR A 49 -0.046 9.391 5.287 1.00 1.67 C ATOM 775 OH TYR A 49 -1.119 9.798 6.053 1.00 2.19 O ATOM 0 H TYR A 49 4.459 8.326 0.783 1.00 0.70 H new ATOM 0 HA TYR A 49 3.986 10.174 2.887 1.00 0.87 H new ATOM 0 HB2 TYR A 49 2.948 7.796 1.913 1.00 1.12 H new ATOM 0 HB3 TYR A 49 3.740 7.216 3.365 1.00 1.12 H new ATOM 0 HD1 TYR A 49 2.151 10.596 2.991 1.00 1.83 H new ATOM 0 HD2 TYR A 49 1.843 6.642 4.642 1.00 1.83 H new ATOM 0 HE1 TYR A 49 0.232 11.316 4.372 1.00 2.21 H new ATOM 0 HE2 TYR A 49 -0.083 7.368 6.016 1.00 1.91 H new ATOM 0 HH TYR A 49 -0.820 9.968 6.971 1.00 2.19 H new ATOM 785 N PRO A 50 5.386 9.481 4.967 1.00 1.14 N ATOM 786 CA PRO A 50 6.416 9.282 6.000 1.00 1.37 C ATOM 787 C PRO A 50 6.627 7.785 6.260 1.00 1.29 C ATOM 788 O PRO A 50 7.647 7.391 6.794 1.00 1.44 O ATOM 789 CB PRO A 50 5.881 9.999 7.246 1.00 1.66 C ATOM 790 CG PRO A 50 4.611 10.774 6.823 1.00 1.66 C ATOM 791 CD PRO A 50 4.245 10.317 5.404 1.00 1.36 C ATOM 0 HA PRO A 50 7.386 9.680 5.702 1.00 1.37 H new ATOM 0 HB2 PRO A 50 5.648 9.281 8.032 1.00 1.66 H new ATOM 0 HB3 PRO A 50 6.631 10.680 7.648 1.00 1.66 H new ATOM 0 HG2 PRO A 50 3.792 10.574 7.514 1.00 1.66 H new ATOM 0 HG3 PRO A 50 4.792 11.849 6.845 1.00 1.66 H new ATOM 0 HD2 PRO A 50 3.315 9.749 5.399 1.00 1.36 H new ATOM 0 HD3 PRO A 50 4.102 11.169 4.739 1.00 1.36 H new ATOM 799 N HIS A 51 5.688 6.937 5.869 1.00 1.16 N ATOM 800 CA HIS A 51 5.871 5.467 6.077 1.00 1.24 C ATOM 801 C HIS A 51 5.754 5.146 7.580 1.00 1.29 C ATOM 802 O HIS A 51 5.934 6.001 8.425 1.00 1.91 O ATOM 803 CB HIS A 51 7.246 5.038 5.453 1.00 1.69 C ATOM 804 CG HIS A 51 8.195 4.395 6.449 1.00 2.69 C ATOM 805 ND1 HIS A 51 8.739 3.136 6.243 1.00 3.42 N ATOM 806 CD2 HIS A 51 8.708 4.830 7.647 1.00 4.47 C ATOM 807 CE1 HIS A 51 9.539 2.863 7.290 1.00 5.00 C ATOM 808 NE2 HIS A 51 9.556 3.862 8.176 1.00 5.64 N ATOM 0 H HIS A 51 4.813 7.206 5.419 1.00 1.16 H new ATOM 0 HA HIS A 51 5.094 4.892 5.574 1.00 1.24 H new ATOM 0 HB2 HIS A 51 7.062 4.339 4.637 1.00 1.69 H new ATOM 0 HB3 HIS A 51 7.728 5.915 5.020 1.00 1.69 H new ATOM 0 HD2 HIS A 51 8.486 5.781 8.109 1.00 4.47 H new ATOM 0 HE1 HIS A 51 10.100 1.947 7.400 1.00 5.00 H new ATOM 0 HE2 HIS A 51 10.078 3.906 9.051 1.00 5.64 H new ATOM 816 N LYS A 52 5.455 3.913 7.901 1.00 1.14 N ATOM 817 CA LYS A 52 5.320 3.495 9.326 1.00 1.27 C ATOM 818 C LYS A 52 4.141 4.217 9.970 1.00 1.26 C ATOM 819 O LYS A 52 4.085 5.432 10.005 1.00 1.88 O ATOM 820 CB LYS A 52 6.606 3.816 10.098 1.00 1.56 C ATOM 821 CG LYS A 52 6.534 3.186 11.491 1.00 2.33 C ATOM 822 CD LYS A 52 7.809 3.518 12.267 1.00 2.58 C ATOM 823 CE LYS A 52 7.585 4.779 13.104 1.00 3.50 C ATOM 824 NZ LYS A 52 6.795 4.434 14.320 1.00 4.68 N ATOM 0 H LYS A 52 5.296 3.167 7.223 1.00 1.14 H new ATOM 0 HA LYS A 52 5.146 2.420 9.360 1.00 1.27 H new ATOM 0 HB2 LYS A 52 7.472 3.433 9.558 1.00 1.56 H new ATOM 0 HB3 LYS A 52 6.733 4.895 10.181 1.00 1.56 H new ATOM 0 HG2 LYS A 52 5.662 3.561 12.027 1.00 2.33 H new ATOM 0 HG3 LYS A 52 6.417 2.105 11.408 1.00 2.33 H new ATOM 0 HD2 LYS A 52 8.081 2.684 12.913 1.00 2.58 H new ATOM 0 HD3 LYS A 52 8.638 3.670 11.576 1.00 2.58 H new ATOM 0 HE2 LYS A 52 8.543 5.213 13.391 1.00 3.50 H new ATOM 0 HE3 LYS A 52 7.058 5.530 12.516 1.00 3.50 H new ATOM 0 HZ1 LYS A 52 6.148 5.216 14.547 1.00 4.68 H new ATOM 0 HZ2 LYS A 52 6.245 3.570 14.143 1.00 4.68 H new ATOM 0 HZ3 LYS A 52 7.440 4.275 15.120 1.00 4.68 H new ATOM 838 N ILE A 53 3.200 3.470 10.482 1.00 1.63 N ATOM 839 CA ILE A 53 2.010 4.094 11.133 1.00 1.76 C ATOM 840 C ILE A 53 1.417 3.119 12.153 1.00 1.88 C ATOM 841 O ILE A 53 1.465 1.917 11.976 1.00 1.93 O ATOM 842 CB ILE A 53 0.956 4.420 10.072 1.00 1.67 C ATOM 843 CG1 ILE A 53 0.651 3.162 9.254 1.00 1.96 C ATOM 844 CG2 ILE A 53 1.485 5.515 9.144 1.00 1.70 C ATOM 845 CD1 ILE A 53 -0.515 3.438 8.305 1.00 2.21 C ATOM 0 H ILE A 53 3.204 2.450 10.478 1.00 1.63 H new ATOM 0 HA ILE A 53 2.314 5.011 11.637 1.00 1.76 H new ATOM 0 HB ILE A 53 0.045 4.767 10.560 1.00 1.67 H new ATOM 0 HG12 ILE A 53 1.532 2.863 8.686 1.00 1.96 H new ATOM 0 HG13 ILE A 53 0.404 2.335 9.919 1.00 1.96 H new ATOM 0 HG21 ILE A 53 0.734 5.746 8.389 1.00 1.70 H new ATOM 0 HG22 ILE A 53 1.703 6.411 9.725 1.00 1.70 H new ATOM 0 HG23 ILE A 53 2.396 5.169 8.655 1.00 1.70 H new ATOM 0 HD11 ILE A 53 -0.731 2.542 7.723 1.00 2.21 H new ATOM 0 HD12 ILE A 53 -1.396 3.717 8.883 1.00 2.21 H new ATOM 0 HD13 ILE A 53 -0.251 4.253 7.631 1.00 2.21 H new ATOM 857 N LYS A 54 0.855 3.634 13.218 1.00 2.13 N ATOM 858 CA LYS A 54 0.252 2.747 14.256 1.00 2.37 C ATOM 859 C LYS A 54 -1.196 2.433 13.876 1.00 2.32 C ATOM 860 O LYS A 54 -1.545 1.300 13.606 1.00 2.77 O ATOM 861 CB LYS A 54 0.279 3.457 15.611 1.00 2.86 C ATOM 862 CG LYS A 54 1.622 3.199 16.298 1.00 3.09 C ATOM 863 CD LYS A 54 2.572 4.365 16.019 1.00 2.98 C ATOM 864 CE LYS A 54 2.467 5.390 17.149 1.00 3.64 C ATOM 865 NZ LYS A 54 3.530 6.421 16.984 1.00 4.14 N ATOM 0 H LYS A 54 0.788 4.633 13.412 1.00 2.13 H new ATOM 0 HA LYS A 54 0.822 1.820 14.319 1.00 2.37 H new ATOM 0 HB2 LYS A 54 0.128 4.528 15.475 1.00 2.86 H new ATOM 0 HB3 LYS A 54 -0.537 3.097 16.238 1.00 2.86 H new ATOM 0 HG2 LYS A 54 1.477 3.084 17.372 1.00 3.09 H new ATOM 0 HG3 LYS A 54 2.056 2.268 15.933 1.00 3.09 H new ATOM 0 HD2 LYS A 54 3.596 4.002 15.937 1.00 2.98 H new ATOM 0 HD3 LYS A 54 2.322 4.832 15.066 1.00 2.98 H new ATOM 0 HE2 LYS A 54 1.484 5.861 17.137 1.00 3.64 H new ATOM 0 HE3 LYS A 54 2.572 4.895 18.114 1.00 3.64 H new ATOM 0 HZ1 LYS A 54 3.459 7.119 17.752 1.00 4.14 H new ATOM 0 HZ2 LYS A 54 4.464 5.965 17.016 1.00 4.14 H new ATOM 0 HZ3 LYS A 54 3.410 6.900 16.069 1.00 4.14 H new ATOM 879 N SER A 55 -2.040 3.435 13.852 1.00 2.25 N ATOM 880 CA SER A 55 -3.469 3.209 13.490 1.00 2.30 C ATOM 881 C SER A 55 -3.601 3.112 11.969 1.00 1.81 C ATOM 882 O SER A 55 -2.649 3.323 11.241 1.00 2.18 O ATOM 883 CB SER A 55 -4.314 4.376 14.002 1.00 2.70 C ATOM 884 OG SER A 55 -4.614 4.171 15.376 1.00 3.59 O ATOM 0 H SER A 55 -1.798 4.402 14.069 1.00 2.25 H new ATOM 0 HA SER A 55 -3.817 2.281 13.944 1.00 2.30 H new ATOM 0 HB2 SER A 55 -3.776 5.315 13.872 1.00 2.70 H new ATOM 0 HB3 SER A 55 -5.235 4.454 13.424 1.00 2.70 H new ATOM 0 HG SER A 55 -5.154 4.918 15.708 1.00 3.59 H new ATOM 890 N GLY A 56 -4.775 2.791 11.486 1.00 1.95 N ATOM 891 CA GLY A 56 -4.980 2.678 10.012 1.00 1.66 C ATOM 892 C GLY A 56 -5.804 3.866 9.514 1.00 1.49 C ATOM 893 O GLY A 56 -6.565 3.750 8.571 1.00 1.84 O ATOM 0 H GLY A 56 -5.602 2.602 12.052 1.00 1.95 H new ATOM 0 HA2 GLY A 56 -4.017 2.652 9.502 1.00 1.66 H new ATOM 0 HA3 GLY A 56 -5.491 1.744 9.777 1.00 1.66 H new ATOM 897 N ALA A 57 -5.657 5.006 10.139 1.00 1.21 N ATOM 898 CA ALA A 57 -6.429 6.208 9.708 1.00 1.20 C ATOM 899 C ALA A 57 -5.643 6.957 8.629 1.00 1.08 C ATOM 900 O ALA A 57 -6.216 7.581 7.756 1.00 1.11 O ATOM 901 CB ALA A 57 -6.649 7.130 10.909 1.00 1.27 C ATOM 0 H ALA A 57 -5.033 5.156 10.932 1.00 1.21 H new ATOM 0 HA ALA A 57 -7.393 5.897 9.307 1.00 1.20 H new ATOM 0 HB1 ALA A 57 -7.213 8.008 10.595 1.00 1.27 H new ATOM 0 HB2 ALA A 57 -7.206 6.597 11.679 1.00 1.27 H new ATOM 0 HB3 ALA A 57 -5.685 7.442 11.310 1.00 1.27 H new ATOM 907 N GLU A 58 -4.337 6.895 8.686 1.00 1.03 N ATOM 908 CA GLU A 58 -3.504 7.600 7.669 1.00 0.99 C ATOM 909 C GLU A 58 -3.676 6.921 6.308 1.00 0.83 C ATOM 910 O GLU A 58 -3.904 7.570 5.305 1.00 0.98 O ATOM 911 CB GLU A 58 -2.035 7.543 8.092 1.00 1.08 C ATOM 912 CG GLU A 58 -1.850 8.318 9.398 1.00 1.67 C ATOM 913 CD GLU A 58 -0.614 7.796 10.131 1.00 1.99 C ATOM 914 OE1 GLU A 58 0.482 8.164 9.741 1.00 2.60 O ATOM 915 OE2 GLU A 58 -0.784 7.037 11.072 1.00 3.11 O ATOM 0 H GLU A 58 -3.811 6.385 9.396 1.00 1.03 H new ATOM 0 HA GLU A 58 -3.820 8.640 7.594 1.00 0.99 H new ATOM 0 HB2 GLU A 58 -1.724 6.507 8.224 1.00 1.08 H new ATOM 0 HB3 GLU A 58 -1.404 7.968 7.312 1.00 1.08 H new ATOM 0 HG2 GLU A 58 -1.739 9.382 9.189 1.00 1.67 H new ATOM 0 HG3 GLU A 58 -2.733 8.207 10.027 1.00 1.67 H new ATOM 922 N ALA A 59 -3.577 5.616 6.268 1.00 0.71 N ATOM 923 CA ALA A 59 -3.743 4.888 4.974 1.00 0.74 C ATOM 924 C ALA A 59 -5.140 5.160 4.397 1.00 0.91 C ATOM 925 O ALA A 59 -5.371 4.996 3.215 1.00 1.19 O ATOM 926 CB ALA A 59 -3.577 3.386 5.214 1.00 0.89 C ATOM 0 H ALA A 59 -3.388 5.023 7.076 1.00 0.71 H new ATOM 0 HA ALA A 59 -2.989 5.235 4.267 1.00 0.74 H new ATOM 0 HB1 ALA A 59 -3.698 2.851 4.272 1.00 0.89 H new ATOM 0 HB2 ALA A 59 -2.584 3.190 5.618 1.00 0.89 H new ATOM 0 HB3 ALA A 59 -4.331 3.045 5.923 1.00 0.89 H new ATOM 932 N LYS A 60 -6.073 5.571 5.225 1.00 0.88 N ATOM 933 CA LYS A 60 -7.453 5.850 4.732 1.00 1.13 C ATOM 934 C LYS A 60 -7.493 7.219 4.044 1.00 1.25 C ATOM 935 O LYS A 60 -8.088 7.371 2.993 1.00 1.51 O ATOM 936 CB LYS A 60 -8.423 5.843 5.918 1.00 1.23 C ATOM 937 CG LYS A 60 -9.859 6.038 5.418 1.00 1.79 C ATOM 938 CD LYS A 60 -10.313 4.787 4.662 1.00 2.85 C ATOM 939 CE LYS A 60 -11.763 4.963 4.199 1.00 3.67 C ATOM 940 NZ LYS A 60 -12.674 4.248 5.138 1.00 3.76 N ATOM 0 H LYS A 60 -5.933 5.724 6.224 1.00 0.88 H new ATOM 0 HA LYS A 60 -7.744 5.083 4.015 1.00 1.13 H new ATOM 0 HB2 LYS A 60 -8.342 4.901 6.460 1.00 1.23 H new ATOM 0 HB3 LYS A 60 -8.161 6.637 6.618 1.00 1.23 H new ATOM 0 HG2 LYS A 60 -10.525 6.229 6.259 1.00 1.79 H new ATOM 0 HG3 LYS A 60 -9.913 6.909 4.765 1.00 1.79 H new ATOM 0 HD2 LYS A 60 -9.665 4.614 3.803 1.00 2.85 H new ATOM 0 HD3 LYS A 60 -10.230 3.911 5.305 1.00 2.85 H new ATOM 0 HE2 LYS A 60 -12.019 6.022 4.163 1.00 3.67 H new ATOM 0 HE3 LYS A 60 -11.884 4.571 3.189 1.00 3.67 H new ATOM 0 HZ1 LYS A 60 -13.658 4.367 4.825 1.00 3.76 H new ATOM 0 HZ2 LYS A 60 -12.435 3.236 5.151 1.00 3.76 H new ATOM 0 HZ3 LYS A 60 -12.565 4.642 6.094 1.00 3.76 H new ATOM 954 N LYS A 61 -6.875 8.216 4.631 1.00 1.21 N ATOM 955 CA LYS A 61 -6.891 9.575 4.009 1.00 1.49 C ATOM 956 C LYS A 61 -6.211 9.531 2.636 1.00 1.52 C ATOM 957 O LYS A 61 -6.483 10.350 1.782 1.00 1.70 O ATOM 958 CB LYS A 61 -6.173 10.582 4.919 1.00 1.60 C ATOM 959 CG LYS A 61 -4.714 10.167 5.134 1.00 1.65 C ATOM 960 CD LYS A 61 -3.849 11.418 5.308 1.00 1.97 C ATOM 961 CE LYS A 61 -3.413 11.930 3.934 1.00 2.97 C ATOM 962 NZ LYS A 61 -4.452 12.851 3.393 1.00 4.65 N ATOM 0 H LYS A 61 -6.363 8.147 5.510 1.00 1.21 H new ATOM 0 HA LYS A 61 -7.926 9.892 3.882 1.00 1.49 H new ATOM 0 HB2 LYS A 61 -6.212 11.576 4.473 1.00 1.60 H new ATOM 0 HB3 LYS A 61 -6.685 10.643 5.879 1.00 1.60 H new ATOM 0 HG2 LYS A 61 -4.632 9.529 6.014 1.00 1.65 H new ATOM 0 HG3 LYS A 61 -4.361 9.583 4.284 1.00 1.65 H new ATOM 0 HD2 LYS A 61 -4.409 12.190 5.835 1.00 1.97 H new ATOM 0 HD3 LYS A 61 -2.975 11.187 5.916 1.00 1.97 H new ATOM 0 HE2 LYS A 61 -2.458 12.449 4.014 1.00 2.97 H new ATOM 0 HE3 LYS A 61 -3.264 11.092 3.253 1.00 2.97 H new ATOM 0 HZ1 LYS A 61 -3.996 13.591 2.821 1.00 4.65 H new ATOM 0 HZ2 LYS A 61 -5.116 12.315 2.799 1.00 4.65 H new ATOM 0 HZ3 LYS A 61 -4.969 13.291 4.180 1.00 4.65 H new ATOM 976 N LEU A 62 -5.331 8.579 2.414 1.00 1.43 N ATOM 977 CA LEU A 62 -4.630 8.479 1.090 1.00 1.54 C ATOM 978 C LEU A 62 -5.675 8.456 -0.054 1.00 1.63 C ATOM 979 O LEU A 62 -6.371 7.472 -0.205 1.00 1.85 O ATOM 980 CB LEU A 62 -3.807 7.181 1.033 1.00 1.69 C ATOM 981 CG LEU A 62 -2.845 7.085 2.229 1.00 1.74 C ATOM 982 CD1 LEU A 62 -1.984 5.830 2.080 1.00 1.85 C ATOM 983 CD2 LEU A 62 -1.927 8.314 2.279 1.00 1.67 C ATOM 0 H LEU A 62 -5.068 7.866 3.094 1.00 1.43 H new ATOM 0 HA LEU A 62 -3.971 9.340 0.974 1.00 1.54 H new ATOM 0 HB2 LEU A 62 -4.477 6.321 1.031 1.00 1.69 H new ATOM 0 HB3 LEU A 62 -3.241 7.146 0.102 1.00 1.69 H new ATOM 0 HG LEU A 62 -3.429 7.039 3.148 1.00 1.74 H new ATOM 0 HD11 LEU A 62 -1.299 5.756 2.925 1.00 1.85 H new ATOM 0 HD12 LEU A 62 -2.626 4.949 2.055 1.00 1.85 H new ATOM 0 HD13 LEU A 62 -1.412 5.889 1.154 1.00 1.85 H new ATOM 0 HD21 LEU A 62 -1.253 8.230 3.131 1.00 1.67 H new ATOM 0 HD22 LEU A 62 -1.344 8.371 1.359 1.00 1.67 H new ATOM 0 HD23 LEU A 62 -2.531 9.215 2.382 1.00 1.67 H new ATOM 995 N PRO A 63 -5.778 9.532 -0.826 1.00 1.59 N ATOM 996 CA PRO A 63 -6.762 9.589 -1.927 1.00 1.74 C ATOM 997 C PRO A 63 -6.398 8.589 -3.031 1.00 1.89 C ATOM 998 O PRO A 63 -7.260 8.005 -3.660 1.00 3.20 O ATOM 999 CB PRO A 63 -6.677 11.028 -2.462 1.00 1.80 C ATOM 1000 CG PRO A 63 -5.525 11.743 -1.712 1.00 1.77 C ATOM 1001 CD PRO A 63 -4.954 10.757 -0.683 1.00 1.58 C ATOM 0 HA PRO A 63 -7.766 9.332 -1.589 1.00 1.74 H new ATOM 0 HB2 PRO A 63 -6.491 11.026 -3.536 1.00 1.80 H new ATOM 0 HB3 PRO A 63 -7.620 11.551 -2.303 1.00 1.80 H new ATOM 0 HG2 PRO A 63 -4.750 12.057 -2.412 1.00 1.77 H new ATOM 0 HG3 PRO A 63 -5.891 12.643 -1.217 1.00 1.77 H new ATOM 0 HD2 PRO A 63 -3.902 10.550 -0.877 1.00 1.58 H new ATOM 0 HD3 PRO A 63 -5.018 11.160 0.328 1.00 1.58 H new ATOM 1009 N GLY A 64 -5.126 8.402 -3.277 1.00 1.84 N ATOM 1010 CA GLY A 64 -4.689 7.455 -4.351 1.00 2.26 C ATOM 1011 C GLY A 64 -5.246 6.053 -4.088 1.00 2.08 C ATOM 1012 O GLY A 64 -5.569 5.326 -5.010 1.00 2.38 O ATOM 0 H GLY A 64 -4.367 8.866 -2.778 1.00 1.84 H new ATOM 0 HA2 GLY A 64 -5.032 7.813 -5.322 1.00 2.26 H new ATOM 0 HA3 GLY A 64 -3.600 7.419 -4.391 1.00 2.26 H new ATOM 1016 N VAL A 65 -5.355 5.665 -2.844 1.00 1.91 N ATOM 1017 CA VAL A 65 -5.885 4.300 -2.522 1.00 2.18 C ATOM 1018 C VAL A 65 -7.142 4.444 -1.660 1.00 2.30 C ATOM 1019 O VAL A 65 -7.588 5.539 -1.376 1.00 3.09 O ATOM 1020 CB VAL A 65 -4.832 3.443 -1.760 1.00 2.35 C ATOM 1021 CG1 VAL A 65 -4.505 2.189 -2.577 1.00 3.01 C ATOM 1022 CG2 VAL A 65 -3.529 4.223 -1.523 1.00 1.93 C ATOM 0 H VAL A 65 -5.101 6.232 -2.035 1.00 1.91 H new ATOM 0 HA VAL A 65 -6.118 3.793 -3.458 1.00 2.18 H new ATOM 0 HB VAL A 65 -5.260 3.177 -0.794 1.00 2.35 H new ATOM 0 HG11 VAL A 65 -3.768 1.589 -2.043 1.00 3.01 H new ATOM 0 HG12 VAL A 65 -5.412 1.603 -2.723 1.00 3.01 H new ATOM 0 HG13 VAL A 65 -4.102 2.481 -3.547 1.00 3.01 H new ATOM 0 HG21 VAL A 65 -2.819 3.592 -0.989 1.00 1.93 H new ATOM 0 HG22 VAL A 65 -3.102 4.518 -2.482 1.00 1.93 H new ATOM 0 HG23 VAL A 65 -3.740 5.113 -0.930 1.00 1.93 H new ATOM 1032 N GLY A 66 -7.715 3.342 -1.243 1.00 1.90 N ATOM 1033 CA GLY A 66 -8.945 3.401 -0.398 1.00 2.16 C ATOM 1034 C GLY A 66 -8.727 2.585 0.877 1.00 1.47 C ATOM 1035 O GLY A 66 -7.725 2.730 1.552 1.00 2.64 O ATOM 0 H GLY A 66 -7.381 2.401 -1.453 1.00 1.90 H new ATOM 0 HA2 GLY A 66 -9.176 4.436 -0.145 1.00 2.16 H new ATOM 0 HA3 GLY A 66 -9.799 3.010 -0.952 1.00 2.16 H new ATOM 1039 N THR A 67 -9.660 1.728 1.210 1.00 1.24 N ATOM 1040 CA THR A 67 -9.514 0.898 2.442 1.00 2.08 C ATOM 1041 C THR A 67 -9.386 -0.583 2.065 1.00 1.71 C ATOM 1042 O THR A 67 -9.657 -1.457 2.868 1.00 2.79 O ATOM 1043 CB THR A 67 -10.743 1.090 3.334 1.00 3.52 C ATOM 1044 OG1 THR A 67 -11.269 2.395 3.135 1.00 4.09 O ATOM 1045 CG2 THR A 67 -10.344 0.918 4.800 1.00 5.19 C ATOM 0 H THR A 67 -10.517 1.568 0.680 1.00 1.24 H new ATOM 0 HA THR A 67 -8.617 1.210 2.978 1.00 2.08 H new ATOM 0 HB THR A 67 -11.499 0.348 3.077 1.00 3.52 H new ATOM 0 HG1 THR A 67 -12.238 2.383 3.283 1.00 4.09 H new ATOM 0 HG21 THR A 67 -11.220 1.055 5.434 1.00 5.19 H new ATOM 0 HG22 THR A 67 -9.939 -0.083 4.952 1.00 5.19 H new ATOM 0 HG23 THR A 67 -9.588 1.659 5.061 1.00 5.19 H new ATOM 1053 N LYS A 68 -8.971 -0.874 0.855 1.00 1.24 N ATOM 1054 CA LYS A 68 -8.821 -2.298 0.432 1.00 1.03 C ATOM 1055 C LYS A 68 -7.398 -2.763 0.750 1.00 0.80 C ATOM 1056 O LYS A 68 -7.193 -3.802 1.349 1.00 0.91 O ATOM 1057 CB LYS A 68 -9.081 -2.416 -1.077 1.00 1.49 C ATOM 1058 CG LYS A 68 -10.454 -3.049 -1.319 1.00 2.01 C ATOM 1059 CD LYS A 68 -11.552 -2.071 -0.892 1.00 3.24 C ATOM 1060 CE LYS A 68 -12.050 -1.296 -2.114 1.00 4.77 C ATOM 1061 NZ LYS A 68 -13.498 -0.988 -1.950 1.00 5.96 N ATOM 0 H LYS A 68 -8.730 -0.184 0.143 1.00 1.24 H new ATOM 0 HA LYS A 68 -9.538 -2.921 0.966 1.00 1.03 H new ATOM 0 HB2 LYS A 68 -9.038 -1.431 -1.541 1.00 1.49 H new ATOM 0 HB3 LYS A 68 -8.304 -3.022 -1.543 1.00 1.49 H new ATOM 0 HG2 LYS A 68 -10.568 -3.302 -2.373 1.00 2.01 H new ATOM 0 HG3 LYS A 68 -10.542 -3.978 -0.756 1.00 2.01 H new ATOM 0 HD2 LYS A 68 -12.378 -2.613 -0.431 1.00 3.24 H new ATOM 0 HD3 LYS A 68 -11.167 -1.380 -0.142 1.00 3.24 H new ATOM 0 HE2 LYS A 68 -11.482 -0.373 -2.229 1.00 4.77 H new ATOM 0 HE3 LYS A 68 -11.892 -1.882 -3.019 1.00 4.77 H new ATOM 0 HZ1 LYS A 68 -13.837 -0.461 -2.780 1.00 5.96 H new ATOM 0 HZ2 LYS A 68 -14.034 -1.875 -1.860 1.00 5.96 H new ATOM 0 HZ3 LYS A 68 -13.636 -0.412 -1.095 1.00 5.96 H new ATOM 1075 N ILE A 69 -6.416 -1.993 0.354 1.00 0.85 N ATOM 1076 CA ILE A 69 -4.999 -2.372 0.629 1.00 0.92 C ATOM 1077 C ILE A 69 -4.547 -1.797 1.983 1.00 0.84 C ATOM 1078 O ILE A 69 -3.426 -2.018 2.408 1.00 0.81 O ATOM 1079 CB ILE A 69 -4.105 -1.822 -0.487 1.00 1.23 C ATOM 1080 CG1 ILE A 69 -4.616 -2.323 -1.841 1.00 1.33 C ATOM 1081 CG2 ILE A 69 -2.666 -2.301 -0.282 1.00 1.57 C ATOM 1082 CD1 ILE A 69 -4.156 -1.370 -2.945 1.00 2.04 C ATOM 0 H ILE A 69 -6.537 -1.115 -0.150 1.00 0.85 H new ATOM 0 HA ILE A 69 -4.919 -3.458 0.665 1.00 0.92 H new ATOM 0 HB ILE A 69 -4.130 -0.733 -0.463 1.00 1.23 H new ATOM 0 HG12 ILE A 69 -4.241 -3.328 -2.034 1.00 1.33 H new ATOM 0 HG13 ILE A 69 -5.704 -2.386 -1.830 1.00 1.33 H new ATOM 0 HG21 ILE A 69 -2.034 -1.907 -1.078 1.00 1.57 H new ATOM 0 HG22 ILE A 69 -2.298 -1.947 0.681 1.00 1.57 H new ATOM 0 HG23 ILE A 69 -2.639 -3.390 -0.303 1.00 1.57 H new ATOM 0 HD11 ILE A 69 -4.520 -1.727 -3.909 1.00 2.04 H new ATOM 0 HD12 ILE A 69 -4.553 -0.373 -2.754 1.00 2.04 H new ATOM 0 HD13 ILE A 69 -3.067 -1.330 -2.961 1.00 2.04 H new ATOM 1094 N ALA A 70 -5.402 -1.067 2.667 1.00 0.91 N ATOM 1095 CA ALA A 70 -5.011 -0.491 3.987 1.00 0.89 C ATOM 1096 C ALA A 70 -4.703 -1.626 4.966 1.00 0.96 C ATOM 1097 O ALA A 70 -3.910 -1.471 5.875 1.00 0.93 O ATOM 1098 CB ALA A 70 -6.163 0.356 4.533 1.00 0.99 C ATOM 0 H ALA A 70 -6.351 -0.849 2.364 1.00 0.91 H new ATOM 0 HA ALA A 70 -4.126 0.134 3.865 1.00 0.89 H new ATOM 0 HB1 ALA A 70 -5.879 0.778 5.497 1.00 0.99 H new ATOM 0 HB2 ALA A 70 -6.384 1.163 3.835 1.00 0.99 H new ATOM 0 HB3 ALA A 70 -7.047 -0.269 4.656 1.00 0.99 H new ATOM 1104 N GLU A 71 -5.322 -2.768 4.784 1.00 1.12 N ATOM 1105 CA GLU A 71 -5.065 -3.919 5.697 1.00 1.25 C ATOM 1106 C GLU A 71 -3.599 -4.340 5.575 1.00 1.21 C ATOM 1107 O GLU A 71 -2.983 -4.758 6.537 1.00 1.24 O ATOM 1108 CB GLU A 71 -5.969 -5.092 5.307 1.00 1.49 C ATOM 1109 CG GLU A 71 -6.379 -5.862 6.563 1.00 2.30 C ATOM 1110 CD GLU A 71 -7.544 -5.143 7.247 1.00 2.36 C ATOM 1111 OE1 GLU A 71 -7.373 -3.993 7.613 1.00 3.51 O ATOM 1112 OE2 GLU A 71 -8.589 -5.758 7.392 1.00 2.72 O ATOM 0 H GLU A 71 -5.995 -2.950 4.040 1.00 1.12 H new ATOM 0 HA GLU A 71 -5.277 -3.626 6.725 1.00 1.25 H new ATOM 0 HB2 GLU A 71 -6.854 -4.725 4.788 1.00 1.49 H new ATOM 0 HB3 GLU A 71 -5.446 -5.754 4.617 1.00 1.49 H new ATOM 0 HG2 GLU A 71 -6.670 -6.879 6.300 1.00 2.30 H new ATOM 0 HG3 GLU A 71 -5.534 -5.939 7.247 1.00 2.30 H new ATOM 1119 N LYS A 72 -3.038 -4.226 4.397 1.00 1.21 N ATOM 1120 CA LYS A 72 -1.609 -4.611 4.199 1.00 1.29 C ATOM 1121 C LYS A 72 -0.714 -3.615 4.941 1.00 1.17 C ATOM 1122 O LYS A 72 0.262 -3.986 5.564 1.00 1.27 O ATOM 1123 CB LYS A 72 -1.272 -4.587 2.705 1.00 1.39 C ATOM 1124 CG LYS A 72 -2.293 -5.427 1.933 1.00 1.23 C ATOM 1125 CD LYS A 72 -1.616 -6.062 0.717 1.00 1.83 C ATOM 1126 CE LYS A 72 -0.842 -7.307 1.154 1.00 2.63 C ATOM 1127 NZ LYS A 72 -1.758 -8.483 1.174 1.00 2.55 N ATOM 0 H LYS A 72 -3.511 -3.881 3.562 1.00 1.21 H new ATOM 0 HA LYS A 72 -1.443 -5.616 4.588 1.00 1.29 H new ATOM 0 HB2 LYS A 72 -1.278 -3.561 2.337 1.00 1.39 H new ATOM 0 HB3 LYS A 72 -0.268 -4.978 2.542 1.00 1.39 H new ATOM 0 HG2 LYS A 72 -2.705 -6.202 2.579 1.00 1.23 H new ATOM 0 HG3 LYS A 72 -3.127 -4.802 1.613 1.00 1.23 H new ATOM 0 HD2 LYS A 72 -2.363 -6.329 -0.030 1.00 1.83 H new ATOM 0 HD3 LYS A 72 -0.940 -5.346 0.249 1.00 1.83 H new ATOM 0 HE2 LYS A 72 -0.013 -7.491 0.471 1.00 2.63 H new ATOM 0 HE3 LYS A 72 -0.412 -7.152 2.143 1.00 2.63 H new ATOM 0 HZ1 LYS A 72 -1.231 -9.329 1.471 1.00 2.55 H new ATOM 0 HZ2 LYS A 72 -2.535 -8.307 1.843 1.00 2.55 H new ATOM 0 HZ3 LYS A 72 -2.148 -8.635 0.222 1.00 2.55 H new ATOM 1141 N ILE A 73 -1.051 -2.351 4.889 1.00 1.02 N ATOM 1142 CA ILE A 73 -0.233 -1.315 5.603 1.00 0.97 C ATOM 1143 C ILE A 73 -0.281 -1.612 7.105 1.00 0.92 C ATOM 1144 O ILE A 73 0.677 -1.399 7.821 1.00 1.07 O ATOM 1145 CB ILE A 73 -0.799 0.098 5.338 1.00 0.89 C ATOM 1146 CG1 ILE A 73 -1.244 0.268 3.868 1.00 0.92 C ATOM 1147 CG2 ILE A 73 0.277 1.139 5.643 1.00 0.87 C ATOM 1148 CD1 ILE A 73 -0.123 -0.159 2.911 1.00 1.13 C ATOM 0 H ILE A 73 -1.859 -1.988 4.383 1.00 1.02 H new ATOM 0 HA ILE A 73 0.794 -1.348 5.240 1.00 0.97 H new ATOM 0 HB ILE A 73 -1.668 0.235 5.982 1.00 0.89 H new ATOM 0 HG12 ILE A 73 -2.136 -0.330 3.681 1.00 0.92 H new ATOM 0 HG13 ILE A 73 -1.512 1.308 3.682 1.00 0.92 H new ATOM 0 HG21 ILE A 73 -0.119 2.137 5.457 1.00 0.87 H new ATOM 0 HG22 ILE A 73 0.577 1.057 6.688 1.00 0.87 H new ATOM 0 HG23 ILE A 73 1.142 0.967 5.002 1.00 0.87 H new ATOM 0 HD11 ILE A 73 -0.456 -0.032 1.881 1.00 1.13 H new ATOM 0 HD12 ILE A 73 0.759 0.457 3.086 1.00 1.13 H new ATOM 0 HD13 ILE A 73 0.125 -1.206 3.085 1.00 1.13 H new ATOM 1160 N ASP A 74 -1.391 -2.123 7.579 1.00 0.83 N ATOM 1161 CA ASP A 74 -1.512 -2.460 9.031 1.00 0.84 C ATOM 1162 C ASP A 74 -1.042 -3.906 9.276 1.00 0.84 C ATOM 1163 O ASP A 74 -0.899 -4.331 10.407 1.00 0.96 O ATOM 1164 CB ASP A 74 -2.970 -2.318 9.469 1.00 0.88 C ATOM 1165 CG ASP A 74 -3.279 -0.846 9.749 1.00 1.68 C ATOM 1166 OD1 ASP A 74 -2.438 -0.187 10.339 1.00 2.68 O ATOM 1167 OD2 ASP A 74 -4.350 -0.403 9.371 1.00 2.66 O ATOM 0 H ASP A 74 -2.221 -2.322 7.020 1.00 0.83 H new ATOM 0 HA ASP A 74 -0.888 -1.778 9.608 1.00 0.84 H new ATOM 0 HB2 ASP A 74 -3.633 -2.698 8.692 1.00 0.88 H new ATOM 0 HB3 ASP A 74 -3.152 -2.915 10.363 1.00 0.88 H new ATOM 1172 N GLU A 75 -0.807 -4.665 8.231 1.00 0.95 N ATOM 1173 CA GLU A 75 -0.350 -6.074 8.404 1.00 0.99 C ATOM 1174 C GLU A 75 1.152 -6.096 8.713 1.00 1.07 C ATOM 1175 O GLU A 75 1.609 -6.900 9.504 1.00 1.13 O ATOM 1176 CB GLU A 75 -0.617 -6.859 7.118 1.00 1.03 C ATOM 1177 CG GLU A 75 -0.764 -8.346 7.450 1.00 1.45 C ATOM 1178 CD GLU A 75 -2.242 -8.681 7.653 1.00 2.00 C ATOM 1179 OE1 GLU A 75 -2.859 -8.061 8.504 1.00 3.34 O ATOM 1180 OE2 GLU A 75 -2.733 -9.553 6.954 1.00 2.44 O ATOM 0 H GLU A 75 -0.914 -4.364 7.262 1.00 0.95 H new ATOM 0 HA GLU A 75 -0.895 -6.531 9.230 1.00 0.99 H new ATOM 0 HB2 GLU A 75 -1.523 -6.492 6.636 1.00 1.03 H new ATOM 0 HB3 GLU A 75 0.201 -6.712 6.413 1.00 1.03 H new ATOM 0 HG2 GLU A 75 -0.351 -8.952 6.644 1.00 1.45 H new ATOM 0 HG3 GLU A 75 -0.199 -8.586 8.351 1.00 1.45 H new ATOM 1187 N PHE A 76 1.923 -5.223 8.103 1.00 1.14 N ATOM 1188 CA PHE A 76 3.398 -5.208 8.384 1.00 1.30 C ATOM 1189 C PHE A 76 3.668 -4.258 9.552 1.00 1.20 C ATOM 1190 O PHE A 76 4.594 -4.445 10.318 1.00 1.39 O ATOM 1191 CB PHE A 76 4.247 -4.718 7.174 1.00 1.58 C ATOM 1192 CG PHE A 76 3.440 -4.540 5.905 1.00 1.26 C ATOM 1193 CD1 PHE A 76 2.841 -5.635 5.277 1.00 2.13 C ATOM 1194 CD2 PHE A 76 3.322 -3.261 5.347 1.00 2.09 C ATOM 1195 CE1 PHE A 76 2.119 -5.448 4.092 1.00 2.21 C ATOM 1196 CE2 PHE A 76 2.607 -3.074 4.163 1.00 2.30 C ATOM 1197 CZ PHE A 76 2.003 -4.167 3.531 1.00 1.69 C ATOM 0 H PHE A 76 1.600 -4.528 7.430 1.00 1.14 H new ATOM 0 HA PHE A 76 3.687 -6.235 8.607 1.00 1.30 H new ATOM 0 HB2 PHE A 76 4.719 -3.770 7.431 1.00 1.58 H new ATOM 0 HB3 PHE A 76 5.048 -5.433 6.989 1.00 1.58 H new ATOM 0 HD1 PHE A 76 2.935 -6.622 5.704 1.00 2.13 H new ATOM 0 HD2 PHE A 76 3.786 -2.416 5.835 1.00 2.09 H new ATOM 0 HE1 PHE A 76 1.650 -6.292 3.608 1.00 2.21 H new ATOM 0 HE2 PHE A 76 2.520 -2.086 3.735 1.00 2.30 H new ATOM 0 HZ PHE A 76 1.449 -4.025 2.615 1.00 1.69 H new ATOM 1207 N LEU A 77 2.888 -3.219 9.657 1.00 1.09 N ATOM 1208 CA LEU A 77 3.104 -2.212 10.731 1.00 1.30 C ATOM 1209 C LEU A 77 2.307 -2.604 11.975 1.00 1.50 C ATOM 1210 O LEU A 77 2.833 -2.643 13.072 1.00 1.96 O ATOM 1211 CB LEU A 77 2.638 -0.840 10.222 1.00 1.34 C ATOM 1212 CG LEU A 77 3.636 -0.270 9.194 1.00 1.28 C ATOM 1213 CD1 LEU A 77 4.991 -0.046 9.862 1.00 2.56 C ATOM 1214 CD2 LEU A 77 3.819 -1.226 8.013 1.00 2.39 C ATOM 0 H LEU A 77 2.102 -3.023 9.037 1.00 1.09 H new ATOM 0 HA LEU A 77 4.161 -2.169 10.992 1.00 1.30 H new ATOM 0 HB2 LEU A 77 1.652 -0.932 9.766 1.00 1.34 H new ATOM 0 HB3 LEU A 77 2.539 -0.150 11.060 1.00 1.34 H new ATOM 0 HG LEU A 77 3.236 0.674 8.824 1.00 1.28 H new ATOM 0 HD11 LEU A 77 5.694 0.357 9.133 1.00 2.56 H new ATOM 0 HD12 LEU A 77 4.879 0.659 10.686 1.00 2.56 H new ATOM 0 HD13 LEU A 77 5.369 -0.994 10.245 1.00 2.56 H new ATOM 0 HD21 LEU A 77 4.528 -0.798 7.305 1.00 2.39 H new ATOM 0 HD22 LEU A 77 4.199 -2.182 8.374 1.00 2.39 H new ATOM 0 HD23 LEU A 77 2.860 -1.381 7.518 1.00 2.39 H new ATOM 1226 N ALA A 78 1.045 -2.891 11.810 1.00 1.90 N ATOM 1227 CA ALA A 78 0.200 -3.284 12.975 1.00 2.20 C ATOM 1228 C ALA A 78 0.258 -4.807 13.158 1.00 1.99 C ATOM 1229 O ALA A 78 -0.757 -5.478 13.196 1.00 2.76 O ATOM 1230 CB ALA A 78 -1.246 -2.843 12.724 1.00 3.49 C ATOM 0 H ALA A 78 0.559 -2.870 10.913 1.00 1.90 H new ATOM 0 HA ALA A 78 0.572 -2.801 13.879 1.00 2.20 H new ATOM 0 HB1 ALA A 78 -1.866 -3.129 13.574 1.00 3.49 H new ATOM 0 HB2 ALA A 78 -1.280 -1.761 12.598 1.00 3.49 H new ATOM 0 HB3 ALA A 78 -1.622 -3.325 11.822 1.00 3.49 H new ATOM 1236 N THR A 79 1.443 -5.352 13.275 1.00 1.98 N ATOM 1237 CA THR A 79 1.581 -6.827 13.460 1.00 2.34 C ATOM 1238 C THR A 79 1.890 -7.131 14.928 1.00 3.30 C ATOM 1239 O THR A 79 2.523 -8.121 15.243 1.00 3.76 O ATOM 1240 CB THR A 79 2.721 -7.349 12.582 1.00 2.70 C ATOM 1241 OG1 THR A 79 2.934 -8.726 12.857 1.00 2.88 O ATOM 1242 CG2 THR A 79 4.000 -6.563 12.879 1.00 3.95 C ATOM 0 H THR A 79 2.323 -4.836 13.250 1.00 1.98 H new ATOM 0 HA THR A 79 0.649 -7.316 13.175 1.00 2.34 H new ATOM 0 HB THR A 79 2.458 -7.223 11.532 1.00 2.70 H new ATOM 0 HG1 THR A 79 3.159 -8.839 13.804 1.00 2.88 H new ATOM 0 HG21 THR A 79 4.810 -6.936 12.253 1.00 3.95 H new ATOM 0 HG22 THR A 79 3.835 -5.507 12.667 1.00 3.95 H new ATOM 0 HG23 THR A 79 4.267 -6.685 13.929 1.00 3.95 H new ATOM 1250 N GLY A 80 1.447 -6.287 15.825 1.00 4.55 N ATOM 1251 CA GLY A 80 1.709 -6.521 17.274 1.00 6.35 C ATOM 1252 C GLY A 80 0.398 -6.881 17.972 1.00 7.82 C ATOM 1253 O GLY A 80 0.248 -7.962 18.509 1.00 8.96 O ATOM 0 H GLY A 80 0.914 -5.444 15.614 1.00 4.55 H new ATOM 0 HA2 GLY A 80 2.434 -7.325 17.399 1.00 6.35 H new ATOM 0 HA3 GLY A 80 2.142 -5.629 17.726 1.00 6.35 H new ATOM 1257 N LYS A 81 -0.552 -5.982 17.961 1.00 8.23 N ATOM 1258 CA LYS A 81 -1.863 -6.258 18.618 1.00 9.96 C ATOM 1259 C LYS A 81 -2.969 -5.486 17.895 1.00 10.98 C ATOM 1260 O LYS A 81 -2.731 -4.443 17.315 1.00 11.04 O ATOM 1261 CB LYS A 81 -1.808 -5.814 20.083 1.00 10.34 C ATOM 1262 CG LYS A 81 -1.238 -6.943 20.946 1.00 10.50 C ATOM 1263 CD LYS A 81 -2.191 -8.140 20.924 1.00 11.43 C ATOM 1264 CE LYS A 81 -1.890 -9.057 22.110 1.00 12.25 C ATOM 1265 NZ LYS A 81 -2.851 -10.195 22.114 1.00 13.54 N ATOM 0 H LYS A 81 -0.475 -5.064 17.523 1.00 8.23 H new ATOM 0 HA LYS A 81 -2.072 -7.327 18.570 1.00 9.96 H new ATOM 0 HB2 LYS A 81 -1.189 -4.922 20.179 1.00 10.34 H new ATOM 0 HB3 LYS A 81 -2.807 -5.548 20.430 1.00 10.34 H new ATOM 0 HG2 LYS A 81 -0.258 -7.239 20.573 1.00 10.50 H new ATOM 0 HG3 LYS A 81 -1.098 -6.596 21.970 1.00 10.50 H new ATOM 0 HD2 LYS A 81 -3.224 -7.796 20.970 1.00 11.43 H new ATOM 0 HD3 LYS A 81 -2.080 -8.689 19.989 1.00 11.43 H new ATOM 0 HE2 LYS A 81 -0.868 -9.430 22.045 1.00 12.25 H new ATOM 0 HE3 LYS A 81 -1.966 -8.499 23.043 1.00 12.25 H new ATOM 0 HZ1 LYS A 81 -2.647 -10.819 22.920 1.00 13.54 H new ATOM 0 HZ2 LYS A 81 -3.821 -9.830 22.196 1.00 13.54 H new ATOM 0 HZ3 LYS A 81 -2.757 -10.732 21.228 1.00 13.54 H new ATOM 1279 N LEU A 82 -4.176 -5.992 17.929 1.00 12.24 N ATOM 1280 CA LEU A 82 -5.306 -5.294 17.248 1.00 13.69 C ATOM 1281 C LEU A 82 -6.422 -5.024 18.258 1.00 15.27 C ATOM 1282 O LEU A 82 -7.007 -3.957 18.278 1.00 16.17 O ATOM 1283 CB LEU A 82 -5.844 -6.175 16.118 1.00 14.05 C ATOM 1284 CG LEU A 82 -4.746 -6.400 15.076 1.00 13.13 C ATOM 1285 CD1 LEU A 82 -4.017 -7.712 15.377 1.00 12.67 C ATOM 1286 CD2 LEU A 82 -5.372 -6.474 13.682 1.00 13.86 C ATOM 0 H LEU A 82 -4.427 -6.861 18.401 1.00 12.24 H new ATOM 0 HA LEU A 82 -4.952 -4.349 16.835 1.00 13.69 H new ATOM 0 HB2 LEU A 82 -6.181 -7.131 16.518 1.00 14.05 H new ATOM 0 HB3 LEU A 82 -6.709 -5.701 15.654 1.00 14.05 H new ATOM 0 HG LEU A 82 -4.037 -5.573 15.113 1.00 13.13 H new ATOM 0 HD11 LEU A 82 -3.235 -7.872 14.635 1.00 12.67 H new ATOM 0 HD12 LEU A 82 -3.570 -7.660 16.370 1.00 12.67 H new ATOM 0 HD13 LEU A 82 -4.726 -8.539 15.341 1.00 12.67 H new ATOM 0 HD21 LEU A 82 -4.590 -6.634 12.940 1.00 13.86 H new ATOM 0 HD22 LEU A 82 -6.082 -7.300 13.645 1.00 13.86 H new ATOM 0 HD23 LEU A 82 -5.891 -5.540 13.466 1.00 13.86 H new ATOM 1298 N ARG A 83 -6.719 -5.985 19.097 1.00 15.79 N ATOM 1299 CA ARG A 83 -7.798 -5.795 20.111 1.00 17.47 C ATOM 1300 C ARG A 83 -7.202 -5.911 21.515 1.00 17.92 C ATOM 1301 O ARG A 83 -6.340 -6.731 21.766 1.00 17.44 O ATOM 1302 CB ARG A 83 -8.872 -6.869 19.920 1.00 18.22 C ATOM 1303 CG ARG A 83 -10.248 -6.275 20.225 1.00 19.55 C ATOM 1304 CD ARG A 83 -10.763 -5.519 18.998 1.00 20.14 C ATOM 1305 NE ARG A 83 -11.535 -4.317 19.440 1.00 21.36 N ATOM 1306 CZ ARG A 83 -11.842 -3.349 18.599 1.00 22.12 C ATOM 1307 NH1 ARG A 83 -11.483 -3.394 17.336 1.00 21.89 N ATOM 1308 NH2 ARG A 83 -12.517 -2.319 19.033 1.00 23.33 N ATOM 0 H ARG A 83 -6.259 -6.895 19.122 1.00 15.79 H new ATOM 0 HA ARG A 83 -8.246 -4.809 19.987 1.00 17.47 H new ATOM 0 HB2 ARG A 83 -8.846 -7.247 18.898 1.00 18.22 H new ATOM 0 HB3 ARG A 83 -8.676 -7.716 20.578 1.00 18.22 H new ATOM 0 HG2 ARG A 83 -10.946 -7.067 20.496 1.00 19.55 H new ATOM 0 HG3 ARG A 83 -10.183 -5.601 21.079 1.00 19.55 H new ATOM 0 HD2 ARG A 83 -9.927 -5.216 18.367 1.00 20.14 H new ATOM 0 HD3 ARG A 83 -11.397 -6.170 18.396 1.00 20.14 H new ATOM 0 HE ARG A 83 -11.831 -4.244 20.414 1.00 21.36 H new ATOM 0 HH11 ARG A 83 -10.953 -4.192 16.984 1.00 21.89 H new ATOM 0 HH12 ARG A 83 -11.734 -2.631 16.707 1.00 21.89 H new ATOM 0 HH21 ARG A 83 -12.800 -2.270 20.012 1.00 23.33 H new ATOM 0 HH22 ARG A 83 -12.761 -1.563 18.393 1.00 23.33 H new ATOM 1322 N LYS A 84 -7.657 -5.092 22.431 1.00 19.06 N ATOM 1323 CA LYS A 84 -7.124 -5.145 23.823 1.00 19.80 C ATOM 1324 C LYS A 84 -7.968 -6.109 24.660 1.00 20.82 C ATOM 1325 O LYS A 84 -9.023 -6.548 24.240 1.00 21.43 O ATOM 1326 CB LYS A 84 -7.181 -3.749 24.446 1.00 20.82 C ATOM 1327 CG LYS A 84 -6.043 -2.892 23.887 1.00 20.59 C ATOM 1328 CD LYS A 84 -6.443 -2.341 22.517 1.00 20.86 C ATOM 1329 CE LYS A 84 -5.419 -1.298 22.068 1.00 21.08 C ATOM 1330 NZ LYS A 84 -4.216 -1.986 21.520 1.00 20.45 N ATOM 0 H LYS A 84 -8.377 -4.387 22.272 1.00 19.06 H new ATOM 0 HA LYS A 84 -6.091 -5.492 23.800 1.00 19.80 H new ATOM 0 HB2 LYS A 84 -8.142 -3.282 24.230 1.00 20.82 H new ATOM 0 HB3 LYS A 84 -7.098 -3.820 25.531 1.00 20.82 H new ATOM 0 HG2 LYS A 84 -5.822 -2.072 24.570 1.00 20.59 H new ATOM 0 HG3 LYS A 84 -5.134 -3.488 23.800 1.00 20.59 H new ATOM 0 HD2 LYS A 84 -6.496 -3.151 21.789 1.00 20.86 H new ATOM 0 HD3 LYS A 84 -7.435 -1.893 22.569 1.00 20.86 H new ATOM 0 HE2 LYS A 84 -5.855 -0.647 21.310 1.00 21.08 H new ATOM 0 HE3 LYS A 84 -5.137 -0.664 22.909 1.00 21.08 H new ATOM 0 HZ1 LYS A 84 -3.519 -1.277 21.215 1.00 20.45 H new ATOM 0 HZ2 LYS A 84 -3.796 -2.589 22.256 1.00 20.45 H new ATOM 0 HZ3 LYS A 84 -4.492 -2.573 20.707 1.00 20.45 H new ATOM 1344 N LEU A 85 -7.509 -6.440 25.840 1.00 21.23 N ATOM 1345 CA LEU A 85 -8.266 -7.369 26.714 1.00 22.41 C ATOM 1346 C LEU A 85 -8.819 -6.573 27.907 1.00 23.84 C ATOM 1347 O LEU A 85 -10.009 -6.566 28.161 1.00 24.85 O ATOM 1348 CB LEU A 85 -7.304 -8.481 27.179 1.00 22.12 C ATOM 1349 CG LEU A 85 -7.914 -9.288 28.327 1.00 22.94 C ATOM 1350 CD1 LEU A 85 -9.198 -9.973 27.854 1.00 23.52 C ATOM 1351 CD2 LEU A 85 -6.914 -10.346 28.798 1.00 22.90 C ATOM 0 H LEU A 85 -6.632 -6.099 26.234 1.00 21.23 H new ATOM 0 HA LEU A 85 -9.103 -7.826 26.186 1.00 22.41 H new ATOM 0 HB2 LEU A 85 -7.078 -9.144 26.344 1.00 22.12 H new ATOM 0 HB3 LEU A 85 -6.361 -8.040 27.501 1.00 22.12 H new ATOM 0 HG LEU A 85 -8.148 -8.616 29.153 1.00 22.94 H new ATOM 0 HD11 LEU A 85 -9.628 -10.546 28.675 1.00 23.52 H new ATOM 0 HD12 LEU A 85 -9.913 -9.219 27.524 1.00 23.52 H new ATOM 0 HD13 LEU A 85 -8.969 -10.643 27.025 1.00 23.52 H new ATOM 0 HD21 LEU A 85 -7.350 -10.920 29.616 1.00 22.90 H new ATOM 0 HD22 LEU A 85 -6.676 -11.015 27.971 1.00 22.90 H new ATOM 0 HD23 LEU A 85 -6.003 -9.857 29.143 1.00 22.90 H new ATOM 1363 N GLU A 86 -7.959 -5.904 28.634 1.00 24.08 N ATOM 1364 CA GLU A 86 -8.421 -5.107 29.808 1.00 25.61 C ATOM 1365 C GLU A 86 -7.298 -4.173 30.263 1.00 25.90 C ATOM 1366 O GLU A 86 -6.447 -4.550 31.048 1.00 25.82 O ATOM 1367 CB GLU A 86 -8.794 -6.052 30.953 1.00 26.31 C ATOM 1368 CG GLU A 86 -9.595 -5.285 32.007 1.00 27.51 C ATOM 1369 CD GLU A 86 -9.640 -6.095 33.305 1.00 28.37 C ATOM 1370 OE1 GLU A 86 -10.428 -7.023 33.374 1.00 28.79 O ATOM 1371 OE2 GLU A 86 -8.884 -5.771 34.207 1.00 28.76 O ATOM 0 H GLU A 86 -6.954 -5.877 28.463 1.00 24.08 H new ATOM 0 HA GLU A 86 -9.293 -4.517 29.526 1.00 25.61 H new ATOM 0 HB2 GLU A 86 -9.381 -6.888 30.572 1.00 26.31 H new ATOM 0 HB3 GLU A 86 -7.893 -6.472 31.400 1.00 26.31 H new ATOM 0 HG2 GLU A 86 -9.138 -4.312 32.189 1.00 27.51 H new ATOM 0 HG3 GLU A 86 -10.607 -5.100 31.646 1.00 27.51 H new ATOM 1378 N LYS A 87 -7.289 -2.959 29.775 1.00 26.42 N ATOM 1379 CA LYS A 87 -6.224 -1.992 30.173 1.00 26.97 C ATOM 1380 C LYS A 87 -6.753 -1.076 31.279 1.00 28.51 C ATOM 1381 O LYS A 87 -7.953 -0.863 31.320 1.00 29.35 O ATOM 1382 CB LYS A 87 -5.822 -1.149 28.961 1.00 26.78 C ATOM 1383 CG LYS A 87 -4.335 -0.801 29.051 1.00 26.60 C ATOM 1384 CD LYS A 87 -3.739 -0.741 27.643 1.00 26.03 C ATOM 1385 CE LYS A 87 -2.288 -0.259 27.723 1.00 26.07 C ATOM 1386 NZ LYS A 87 -1.846 0.209 26.379 1.00 25.96 N ATOM 1387 OXT LYS A 87 -5.948 -0.605 32.066 1.00 28.94 O ATOM 0 H LYS A 87 -7.977 -2.595 29.115 1.00 26.42 H new ATOM 0 HA LYS A 87 -5.355 -2.539 30.540 1.00 26.97 H new ATOM 0 HB2 LYS A 87 -6.023 -1.697 28.041 1.00 26.78 H new ATOM 0 HB3 LYS A 87 -6.418 -0.237 28.925 1.00 26.78 H new ATOM 0 HG2 LYS A 87 -4.205 0.157 29.554 1.00 26.60 H new ATOM 0 HG3 LYS A 87 -3.811 -1.548 29.648 1.00 26.60 H new ATOM 0 HD2 LYS A 87 -3.781 -1.725 27.176 1.00 26.03 H new ATOM 0 HD3 LYS A 87 -4.324 -0.066 27.018 1.00 26.03 H new ATOM 0 HE2 LYS A 87 -2.202 0.550 28.448 1.00 26.07 H new ATOM 0 HE3 LYS A 87 -1.643 -1.067 28.069 1.00 26.07 H new ATOM 0 HZ1 LYS A 87 -0.860 0.537 26.432 1.00 25.96 H new ATOM 0 HZ2 LYS A 87 -1.914 -0.575 25.699 1.00 25.96 H new ATOM 0 HZ3 LYS A 87 -2.455 0.992 26.067 1.00 25.96 H new TER 1401 LYS A 87