USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 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 50 TYR OH : rot 98:sc= 1.23 USER MOD Set 1.2: A 59 GLN : amide:sc= 1.14 K(o=2.4,f=-1.5) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.762! C(o=-0.7!,f=-1.9!) USER MOD Set 2.2: A 32 THR OG1 : rot -91:sc= 0.0628 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.19) USER MOD Single : A 13 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 22 ASN : amide:sc= 0.662 K(o=0.66,f=-6.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 35 THR OG1 : rot 151:sc= 0.864 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0861 USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 1.25 (180deg=-0.452) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HE2:sc= -0.195 K(o=-0.19,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 65 ASN : amide:sc= 0.632 K(o=0.63,f=-7.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.971 K(o=-0.97,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 169:sc= 0.962 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.2) USER MOD Single : A 80 TYR OH : rot 81:sc= 1.24 USER MOD Single : A 83 GLN : amide:sc= -0.979! C(o=-0.98!,f=-5.3!) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.23) USER MOD Single : A 89 ASN : amide:sc= -0.197 K(o=-0.2,f=-3.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 95 SER OG : rot 85:sc= -0.545 USER MOD Single : A 98 SER OG : rot -150:sc= -0.0552 USER MOD Single : A 102 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.33) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -62:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 17.242 -4.721 1.782 1.00 1.09 N ATOM 78 CA LYS A 7 15.828 -4.426 1.631 1.00 1.10 C ATOM 79 C LYS A 7 15.441 -3.290 2.570 1.00 0.91 C ATOM 80 O LYS A 7 15.987 -3.178 3.667 1.00 0.98 O ATOM 81 CB LYS A 7 14.975 -5.670 1.920 1.00 1.37 C ATOM 82 CG LYS A 7 15.363 -6.408 3.192 1.00 1.06 C ATOM 83 CD LYS A 7 14.164 -6.623 4.098 1.00 1.05 C ATOM 84 CE LYS A 7 14.379 -6.001 5.468 1.00 1.34 C ATOM 85 NZ LYS A 7 13.279 -5.073 5.838 1.00 2.06 N ATOM 0 HA LYS A 7 15.642 -4.122 0.601 1.00 1.10 H new ATOM 0 HB2 LYS A 7 13.929 -5.372 1.991 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.054 -6.356 1.076 1.00 1.37 H new ATOM 0 HG2 LYS A 7 15.804 -7.371 2.935 1.00 1.06 H new ATOM 0 HG3 LYS A 7 16.126 -5.841 3.725 1.00 1.06 H new ATOM 0 HD2 LYS A 7 13.276 -6.190 3.637 1.00 1.05 H new ATOM 0 HD3 LYS A 7 13.977 -7.691 4.208 1.00 1.05 H new ATOM 0 HE2 LYS A 7 14.455 -6.790 6.216 1.00 1.34 H new ATOM 0 HE3 LYS A 7 15.326 -5.462 5.477 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.196 -5.029 6.874 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 13.486 -4.124 5.466 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 12.385 -5.416 5.433 1.00 2.06 H new ATOM 99 N PRO A 8 14.553 -2.389 2.126 1.00 0.74 N ATOM 100 CA PRO A 8 14.141 -1.223 2.918 1.00 0.60 C ATOM 101 C PRO A 8 13.441 -1.621 4.214 1.00 0.52 C ATOM 102 O PRO A 8 13.133 -2.795 4.430 1.00 0.60 O ATOM 103 CB PRO A 8 13.171 -0.480 1.997 1.00 0.61 C ATOM 104 CG PRO A 8 13.494 -0.968 0.626 1.00 0.84 C ATOM 105 CD PRO A 8 13.931 -2.393 0.795 1.00 0.81 C ATOM 0 HA PRO A 8 14.997 -0.623 3.226 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.135 -0.695 2.259 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.302 0.599 2.073 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.625 -0.900 -0.029 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.283 -0.368 0.172 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.088 -3.083 0.745 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.636 -2.694 0.020 1.00 0.81 H new ATOM 113 N ASP A 9 13.154 -0.639 5.054 1.00 0.44 N ATOM 114 CA ASP A 9 12.474 -0.903 6.314 1.00 0.48 C ATOM 115 C ASP A 9 10.965 -0.871 6.099 1.00 0.41 C ATOM 116 O ASP A 9 10.503 -0.391 5.063 1.00 0.41 O ATOM 117 CB ASP A 9 12.890 0.136 7.362 1.00 0.61 C ATOM 118 CG ASP A 9 13.660 -0.469 8.520 1.00 1.02 C ATOM 119 OD1 ASP A 9 14.593 -1.261 8.273 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.330 -0.163 9.685 1.00 1.53 O ATOM 0 H ASP A 9 13.379 0.342 4.889 1.00 0.44 H new ATOM 0 HA ASP A 9 12.756 -1.891 6.677 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.503 0.901 6.885 1.00 0.61 H new ATOM 0 HB3 ASP A 9 12.000 0.635 7.745 1.00 0.61 H new ATOM 125 N PRO A 10 10.174 -1.420 7.039 1.00 0.56 N ATOM 126 CA PRO A 10 8.711 -1.424 6.929 1.00 0.74 C ATOM 127 C PRO A 10 8.154 -0.011 6.743 1.00 0.67 C ATOM 128 O PRO A 10 8.536 0.913 7.466 1.00 0.97 O ATOM 129 CB PRO A 10 8.247 -2.021 8.262 1.00 1.05 C ATOM 130 CG PRO A 10 9.406 -2.825 8.739 1.00 1.12 C ATOM 131 CD PRO A 10 10.632 -2.098 8.266 1.00 0.78 C ATOM 0 HA PRO A 10 8.364 -1.988 6.063 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.986 -1.240 8.976 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.361 -2.642 8.131 1.00 1.05 H new ATOM 0 HG2 PRO A 10 9.399 -2.914 9.825 1.00 1.12 H new ATOM 0 HG3 PRO A 10 9.372 -3.837 8.336 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.989 -1.385 9.010 1.00 0.78 H new ATOM 0 HD3 PRO A 10 11.453 -2.785 8.063 1.00 0.78 H new ATOM 139 N PRO A 11 7.313 0.183 5.713 1.00 0.37 N ATOM 140 CA PRO A 11 6.751 1.493 5.361 1.00 0.38 C ATOM 141 C PRO A 11 6.121 2.209 6.553 1.00 0.28 C ATOM 142 O PRO A 11 5.634 1.574 7.492 1.00 0.35 O ATOM 143 CB PRO A 11 5.680 1.166 4.307 1.00 0.50 C ATOM 144 CG PRO A 11 5.582 -0.325 4.269 1.00 0.64 C ATOM 145 CD PRO A 11 6.900 -0.847 4.758 1.00 0.41 C ATOM 0 HA PRO A 11 7.526 2.171 5.003 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.722 1.613 4.572 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.958 1.564 3.331 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.766 -0.677 4.900 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.376 -0.675 3.258 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.799 -1.823 5.232 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.619 -0.959 3.946 1.00 0.41 H new ATOM 153 N GLU A 12 6.141 3.532 6.508 1.00 0.28 N ATOM 154 CA GLU A 12 5.599 4.345 7.583 1.00 0.30 C ATOM 155 C GLU A 12 4.478 5.237 7.072 1.00 0.28 C ATOM 156 O GLU A 12 4.303 5.377 5.861 1.00 0.31 O ATOM 157 CB GLU A 12 6.702 5.211 8.191 1.00 0.47 C ATOM 158 CG GLU A 12 7.262 4.659 9.488 1.00 0.98 C ATOM 159 CD GLU A 12 6.281 4.753 10.636 1.00 1.58 C ATOM 160 OE1 GLU A 12 5.276 5.488 10.516 1.00 2.09 O ATOM 161 OE2 GLU A 12 6.512 4.089 11.667 1.00 2.11 O ATOM 0 H GLU A 12 6.530 4.068 5.732 1.00 0.28 H new ATOM 0 HA GLU A 12 5.197 3.678 8.345 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.512 5.312 7.469 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.309 6.212 8.371 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.545 3.617 9.342 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.171 5.203 9.747 1.00 0.98 H new ATOM 168 N ASN A 13 3.769 5.881 8.001 1.00 0.33 N ATOM 169 CA ASN A 13 2.716 6.852 7.664 1.00 0.37 C ATOM 170 C ASN A 13 1.613 6.223 6.805 1.00 0.32 C ATOM 171 O ASN A 13 0.899 6.917 6.086 1.00 0.35 O ATOM 172 CB ASN A 13 3.338 8.055 6.934 1.00 0.45 C ATOM 173 CG ASN A 13 2.402 9.248 6.821 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.896 9.759 7.820 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.172 9.706 5.599 1.00 1.01 N ATOM 0 H ASN A 13 3.904 5.748 9.003 1.00 0.33 H new ATOM 0 HA ASN A 13 2.254 7.185 8.594 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.242 8.361 7.461 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.641 7.745 5.934 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.557 10.509 5.462 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.610 9.256 4.795 1.00 1.01 H new ATOM 182 N VAL A 14 1.482 4.907 6.874 1.00 0.30 N ATOM 183 CA VAL A 14 0.523 4.191 6.040 1.00 0.29 C ATOM 184 C VAL A 14 -0.896 4.295 6.583 1.00 0.32 C ATOM 185 O VAL A 14 -1.208 3.763 7.650 1.00 0.47 O ATOM 186 CB VAL A 14 0.891 2.702 5.891 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.425 2.170 4.545 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.390 2.495 6.059 1.00 0.69 C ATOM 0 H VAL A 14 2.026 4.311 7.498 1.00 0.30 H new ATOM 0 HA VAL A 14 0.565 4.670 5.062 1.00 0.29 H new ATOM 0 HB VAL A 14 0.382 2.145 6.677 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.693 1.117 4.457 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.657 2.276 4.466 1.00 0.45 H new ATOM 0 HG13 VAL A 14 0.904 2.734 3.745 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.626 1.436 5.950 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.924 3.066 5.299 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.695 2.834 7.049 1.00 0.69 H new ATOM 198 N VAL A 15 -1.760 4.942 5.816 1.00 0.27 N ATOM 199 CA VAL A 15 -3.161 5.071 6.175 1.00 0.35 C ATOM 200 C VAL A 15 -4.037 5.087 4.921 1.00 0.34 C ATOM 201 O VAL A 15 -3.746 5.787 3.950 1.00 0.39 O ATOM 202 CB VAL A 15 -3.417 6.345 7.019 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.014 7.605 6.262 1.00 1.34 C ATOM 204 CG2 VAL A 15 -4.871 6.422 7.459 1.00 1.48 C ATOM 0 H VAL A 15 -1.511 5.389 4.934 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.425 4.206 6.783 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.793 6.280 7.910 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.207 8.480 6.883 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -1.952 7.559 6.019 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -3.594 7.678 5.342 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -5.025 7.325 8.050 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.516 6.449 6.581 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -5.115 5.548 8.062 1.00 1.48 H new ATOM 214 N ALA A 16 -5.118 4.324 4.954 1.00 0.35 N ATOM 215 CA ALA A 16 -6.069 4.299 3.858 1.00 0.38 C ATOM 216 C ALA A 16 -7.362 4.969 4.301 1.00 0.36 C ATOM 217 O ALA A 16 -8.000 4.527 5.258 1.00 0.39 O ATOM 218 CB ALA A 16 -6.318 2.871 3.401 1.00 0.45 C ATOM 0 H ALA A 16 -5.358 3.711 5.733 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.661 4.848 3.009 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.034 2.872 2.579 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.380 2.428 3.066 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.719 2.288 4.230 1.00 0.45 H new ATOM 224 N ARG A 17 -7.636 6.130 3.727 1.00 0.37 N ATOM 225 CA ARG A 17 -8.732 6.969 4.194 1.00 0.37 C ATOM 226 C ARG A 17 -9.887 6.998 3.197 1.00 0.35 C ATOM 227 O ARG A 17 -9.675 7.096 1.994 1.00 0.48 O ATOM 228 CB ARG A 17 -8.225 8.394 4.439 1.00 0.50 C ATOM 229 CG ARG A 17 -7.499 8.564 5.761 1.00 1.21 C ATOM 230 CD ARG A 17 -7.393 10.026 6.154 1.00 1.69 C ATOM 231 NE ARG A 17 -6.004 10.441 6.346 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.368 10.403 7.518 1.00 3.06 C ATOM 233 NH1 ARG A 17 -5.997 9.992 8.612 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.099 10.779 7.601 1.00 3.99 N ATOM 0 H ARG A 17 -7.116 6.514 2.938 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.105 6.542 5.125 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.554 8.676 3.627 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -9.070 9.081 4.408 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -8.027 8.014 6.540 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.501 8.133 5.687 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.853 10.643 5.382 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -7.953 10.196 7.074 1.00 1.69 H new ATOM 0 HE ARG A 17 -5.490 10.781 5.533 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -6.974 9.702 8.560 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -5.504 9.966 9.504 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -3.606 11.099 6.767 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.616 10.749 8.499 1.00 3.99 H new ATOM 248 N PRO A 18 -11.130 6.959 3.690 1.00 0.31 N ATOM 249 CA PRO A 18 -12.318 7.045 2.844 1.00 0.38 C ATOM 250 C PRO A 18 -12.498 8.449 2.274 1.00 0.39 C ATOM 251 O PRO A 18 -12.542 9.428 3.023 1.00 0.46 O ATOM 252 CB PRO A 18 -13.478 6.705 3.792 1.00 0.49 C ATOM 253 CG PRO A 18 -12.845 6.239 5.063 1.00 0.57 C ATOM 254 CD PRO A 18 -11.484 6.870 5.110 1.00 0.43 C ATOM 0 HA PRO A 18 -12.255 6.377 1.985 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.108 7.577 3.966 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -14.116 5.930 3.366 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.441 6.535 5.926 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.771 5.152 5.085 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.507 7.851 5.585 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.773 6.261 5.669 1.00 0.43 H new ATOM 262 N VAL A 19 -12.545 8.551 0.954 1.00 0.40 N ATOM 263 CA VAL A 19 -12.684 9.840 0.291 1.00 0.45 C ATOM 264 C VAL A 19 -14.139 10.303 0.318 1.00 0.48 C ATOM 265 O VAL A 19 -15.010 9.643 -0.234 1.00 0.47 O ATOM 266 CB VAL A 19 -12.193 9.770 -1.173 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.293 11.128 -1.847 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.763 9.251 -1.230 1.00 0.52 C ATOM 0 H VAL A 19 -12.489 7.755 0.319 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.067 10.557 0.833 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.837 9.077 -1.713 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -11.941 11.050 -2.876 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.331 11.461 -1.842 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.679 11.848 -1.307 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.433 9.208 -2.268 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.110 9.920 -0.669 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.721 8.253 -0.794 1.00 0.52 H new ATOM 278 N PRO A 20 -14.426 11.418 1.012 1.00 0.58 N ATOM 279 CA PRO A 20 -15.795 11.932 1.169 1.00 0.69 C ATOM 280 C PRO A 20 -16.487 12.207 -0.162 1.00 0.70 C ATOM 281 O PRO A 20 -17.716 12.202 -0.246 1.00 1.27 O ATOM 282 CB PRO A 20 -15.602 13.235 1.948 1.00 0.84 C ATOM 283 CG PRO A 20 -14.314 13.057 2.670 1.00 0.97 C ATOM 284 CD PRO A 20 -13.451 12.220 1.768 1.00 0.67 C ATOM 0 HA PRO A 20 -16.436 11.206 1.669 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -15.565 14.095 1.279 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.425 13.407 2.642 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -13.846 14.019 2.877 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.469 12.565 3.630 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.841 12.838 1.109 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.767 11.590 2.337 1.00 0.67 H new ATOM 292 N SER A 21 -15.700 12.472 -1.193 1.00 0.80 N ATOM 293 CA SER A 21 -16.247 12.769 -2.506 1.00 0.85 C ATOM 294 C SER A 21 -16.673 11.495 -3.236 1.00 0.65 C ATOM 295 O SER A 21 -17.636 11.504 -4.001 1.00 0.69 O ATOM 296 CB SER A 21 -15.215 13.534 -3.333 1.00 1.07 C ATOM 297 OG SER A 21 -14.076 13.850 -2.547 1.00 1.49 O ATOM 0 H SER A 21 -14.681 12.487 -1.145 1.00 0.80 H new ATOM 0 HA SER A 21 -17.136 13.386 -2.374 1.00 0.85 H new ATOM 0 HB2 SER A 21 -14.915 12.935 -4.193 1.00 1.07 H new ATOM 0 HB3 SER A 21 -15.660 14.450 -3.722 1.00 1.07 H new ATOM 0 HG SER A 21 -13.426 14.338 -3.094 1.00 1.49 H new ATOM 303 N ASN A 22 -15.931 10.410 -3.036 1.00 0.55 N ATOM 304 CA ASN A 22 -16.212 9.160 -3.721 1.00 0.44 C ATOM 305 C ASN A 22 -16.364 8.004 -2.738 1.00 0.40 C ATOM 306 O ASN A 22 -15.414 7.627 -2.054 1.00 0.43 O ATOM 307 CB ASN A 22 -15.096 8.852 -4.708 1.00 0.57 C ATOM 308 CG ASN A 22 -15.520 7.841 -5.742 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.948 6.735 -5.417 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.409 8.216 -6.999 1.00 1.28 N ATOM 0 H ASN A 22 -15.131 10.375 -2.404 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.156 9.274 -4.254 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.788 9.772 -5.205 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.228 8.475 -4.167 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -15.683 7.579 -7.747 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -15.049 9.143 -7.225 1.00 1.28 H new ATOM 317 N PRO A 23 -17.563 7.406 -2.689 1.00 0.40 N ATOM 318 CA PRO A 23 -17.880 6.295 -1.778 1.00 0.43 C ATOM 319 C PRO A 23 -17.079 5.022 -2.055 1.00 0.48 C ATOM 320 O PRO A 23 -17.138 4.072 -1.284 1.00 0.98 O ATOM 321 CB PRO A 23 -19.370 6.033 -2.030 1.00 0.56 C ATOM 322 CG PRO A 23 -19.874 7.266 -2.691 1.00 0.70 C ATOM 323 CD PRO A 23 -18.728 7.790 -3.499 1.00 0.48 C ATOM 0 HA PRO A 23 -17.632 6.559 -0.750 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.515 5.158 -2.664 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.900 5.841 -1.097 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.733 7.047 -3.326 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.201 7.999 -1.954 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.695 7.344 -4.493 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -18.789 8.870 -3.636 1.00 0.48 H new ATOM 331 N ARG A 24 -16.394 4.970 -3.186 1.00 0.31 N ATOM 332 CA ARG A 24 -15.665 3.766 -3.570 1.00 0.27 C ATOM 333 C ARG A 24 -14.160 3.990 -3.524 1.00 0.26 C ATOM 334 O ARG A 24 -13.377 3.086 -3.837 1.00 0.31 O ATOM 335 CB ARG A 24 -16.071 3.338 -4.980 1.00 0.35 C ATOM 336 CG ARG A 24 -16.343 1.852 -5.110 1.00 0.37 C ATOM 337 CD ARG A 24 -17.712 1.588 -5.709 1.00 0.62 C ATOM 338 NE ARG A 24 -18.781 1.749 -4.722 1.00 1.27 N ATOM 339 CZ ARG A 24 -19.668 2.743 -4.743 1.00 2.02 C ATOM 340 NH1 ARG A 24 -19.579 3.688 -5.672 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.628 2.802 -3.826 1.00 2.86 N ATOM 0 H ARG A 24 -16.326 5.740 -3.852 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.918 2.981 -2.857 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.964 3.889 -5.275 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.280 3.616 -5.677 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.577 1.394 -5.735 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.277 1.382 -4.129 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.881 2.270 -6.542 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.742 0.577 -6.114 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.851 1.059 -3.974 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -18.833 3.651 -6.367 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -20.257 4.450 -5.691 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.687 2.085 -3.103 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -21.305 3.564 -3.845 1.00 2.86 H new ATOM 355 N ARG A 25 -13.762 5.217 -3.219 1.00 0.23 N ATOM 356 CA ARG A 25 -12.360 5.593 -3.287 1.00 0.26 C ATOM 357 C ARG A 25 -11.689 5.600 -1.921 1.00 0.24 C ATOM 358 O ARG A 25 -12.157 6.250 -0.982 1.00 0.24 O ATOM 359 CB ARG A 25 -12.212 6.968 -3.935 1.00 0.32 C ATOM 360 CG ARG A 25 -10.817 7.236 -4.475 1.00 0.51 C ATOM 361 CD ARG A 25 -10.809 8.386 -5.468 1.00 0.80 C ATOM 362 NE ARG A 25 -10.460 7.933 -6.813 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.622 8.576 -7.626 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.014 9.693 -7.229 1.00 2.14 N ATOM 365 NH2 ARG A 25 -9.374 8.092 -8.837 1.00 2.31 N ATOM 0 H ARG A 25 -14.389 5.966 -2.923 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.861 4.838 -3.895 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -12.931 7.057 -4.749 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.463 7.735 -3.203 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.145 7.465 -3.648 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.435 6.336 -4.957 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.791 8.859 -5.486 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.096 9.144 -5.142 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.885 7.070 -7.151 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -9.188 10.064 -6.295 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -8.375 10.177 -7.859 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -9.824 7.230 -9.144 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -8.733 8.582 -9.461 1.00 2.31 H new ATOM 379 N LEU A 26 -10.521 4.979 -1.870 1.00 0.29 N ATOM 380 CA LEU A 26 -9.682 5.006 -0.686 1.00 0.35 C ATOM 381 C LEU A 26 -8.418 5.812 -0.955 1.00 0.39 C ATOM 382 O LEU A 26 -7.662 5.508 -1.883 1.00 0.44 O ATOM 383 CB LEU A 26 -9.296 3.588 -0.263 1.00 0.44 C ATOM 384 CG LEU A 26 -10.406 2.779 0.404 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.989 1.324 0.538 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.738 3.365 1.765 1.00 0.43 C ATOM 0 H LEU A 26 -10.131 4.444 -2.646 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.249 5.474 0.119 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -8.953 3.045 -1.144 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.451 3.649 0.423 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.298 2.827 -0.220 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.789 0.759 1.015 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.791 0.910 -0.451 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.087 1.259 1.146 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.531 2.779 2.230 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.851 3.341 2.398 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.071 4.396 1.646 1.00 0.43 H new ATOM 398 N GLU A 27 -8.166 6.792 -0.106 1.00 0.41 N ATOM 399 CA GLU A 27 -6.959 7.591 -0.187 1.00 0.47 C ATOM 400 C GLU A 27 -5.843 6.902 0.584 1.00 0.41 C ATOM 401 O GLU A 27 -5.645 7.146 1.775 1.00 0.48 O ATOM 402 CB GLU A 27 -7.204 8.994 0.372 1.00 0.51 C ATOM 403 CG GLU A 27 -7.226 10.078 -0.694 1.00 0.99 C ATOM 404 CD GLU A 27 -5.999 10.963 -0.651 1.00 1.26 C ATOM 405 OE1 GLU A 27 -5.852 11.738 0.317 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.173 10.886 -1.585 1.00 1.82 O ATOM 0 H GLU A 27 -8.791 7.055 0.656 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.667 7.689 -1.233 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -8.154 9.002 0.907 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.427 9.227 1.100 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -7.300 9.614 -1.677 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -8.117 10.692 -0.564 1.00 0.99 H new ATOM 413 N VAL A 28 -5.171 5.988 -0.090 1.00 0.40 N ATOM 414 CA VAL A 28 -4.099 5.218 0.514 1.00 0.38 C ATOM 415 C VAL A 28 -2.804 6.016 0.489 1.00 0.35 C ATOM 416 O VAL A 28 -2.132 6.099 -0.538 1.00 0.42 O ATOM 417 CB VAL A 28 -3.891 3.879 -0.221 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.067 2.926 0.625 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.228 3.251 -0.588 1.00 0.68 C ATOM 0 H VAL A 28 -5.351 5.759 -1.067 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.380 5.006 1.546 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.344 4.079 -1.143 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.932 1.987 0.088 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.093 3.371 0.830 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.584 2.735 1.566 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.057 2.307 -1.106 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.805 3.068 0.318 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.781 3.927 -1.240 1.00 0.68 H new ATOM 429 N THR A 29 -2.477 6.630 1.606 1.00 0.31 N ATOM 430 CA THR A 29 -1.288 7.456 1.689 1.00 0.30 C ATOM 431 C THR A 29 -0.295 6.888 2.692 1.00 0.28 C ATOM 432 O THR A 29 -0.691 6.290 3.692 1.00 0.31 O ATOM 433 CB THR A 29 -1.648 8.898 2.086 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.076 9.053 2.120 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.054 9.895 1.104 1.00 0.59 C ATOM 0 H THR A 29 -3.017 6.574 2.470 1.00 0.31 H new ATOM 0 HA THR A 29 -0.827 7.462 0.701 1.00 0.30 H new ATOM 0 HB THR A 29 -1.233 9.093 3.075 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.299 9.973 2.375 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.322 10.907 1.406 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.031 9.795 1.095 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.444 9.699 0.105 1.00 0.59 H new ATOM 443 N TRP A 30 0.989 7.061 2.408 1.00 0.27 N ATOM 444 CA TRP A 30 2.044 6.575 3.285 1.00 0.28 C ATOM 445 C TRP A 30 3.336 7.344 3.033 1.00 0.27 C ATOM 446 O TRP A 30 3.346 8.339 2.309 1.00 0.33 O ATOM 447 CB TRP A 30 2.269 5.067 3.087 1.00 0.29 C ATOM 448 CG TRP A 30 2.739 4.690 1.714 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.032 4.614 1.280 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.922 4.321 0.599 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.065 4.239 -0.038 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.785 4.049 -0.477 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.545 4.199 0.406 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.316 3.663 -1.728 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.081 3.815 -0.838 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.964 3.551 -1.888 1.00 0.46 C ATOM 0 H TRP A 30 1.326 7.538 1.571 1.00 0.27 H new ATOM 0 HA TRP A 30 1.734 6.739 4.317 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.001 4.722 3.817 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.337 4.542 3.297 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.901 4.819 1.887 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.908 4.121 -0.600 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.144 4.401 1.213 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.995 3.459 -2.543 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.982 3.717 -1.001 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.569 3.252 -2.848 1.00 0.46 H new ATOM 467 N GLN A 31 4.419 6.859 3.613 1.00 0.28 N ATOM 468 CA GLN A 31 5.733 7.444 3.426 1.00 0.29 C ATOM 469 C GLN A 31 6.782 6.345 3.486 1.00 0.29 C ATOM 470 O GLN A 31 6.486 5.220 3.901 1.00 0.29 O ATOM 471 CB GLN A 31 6.020 8.488 4.510 1.00 0.32 C ATOM 472 CG GLN A 31 5.953 9.925 4.019 1.00 0.64 C ATOM 473 CD GLN A 31 6.453 10.089 2.599 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.567 9.685 2.264 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.625 10.680 1.756 1.00 0.79 N ATOM 0 H GLN A 31 4.411 6.046 4.229 1.00 0.28 H new ATOM 0 HA GLN A 31 5.765 7.937 2.455 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.305 8.359 5.322 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.011 8.303 4.925 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.923 10.276 4.078 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.544 10.557 4.682 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.711 10.999 2.078 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.900 10.817 0.783 1.00 0.79 H new ATOM 484 N THR A 32 8.014 6.690 3.162 1.00 0.34 N ATOM 485 CA THR A 32 9.110 5.753 3.293 1.00 0.36 C ATOM 486 C THR A 32 9.439 5.549 4.766 1.00 0.41 C ATOM 487 O THR A 32 9.151 6.415 5.596 1.00 0.49 O ATOM 488 CB THR A 32 10.362 6.252 2.555 1.00 0.42 C ATOM 489 OG1 THR A 32 10.420 7.683 2.628 1.00 0.49 O ATOM 490 CG2 THR A 32 10.341 5.821 1.096 1.00 0.49 C ATOM 0 H THR A 32 8.279 7.609 2.808 1.00 0.34 H new ATOM 0 HA THR A 32 8.801 4.808 2.846 1.00 0.36 H new ATOM 0 HB THR A 32 11.241 5.817 3.032 1.00 0.42 H new ATOM 0 HG1 THR A 32 9.963 8.069 1.852 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.238 6.187 0.596 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.311 4.733 1.038 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.459 6.234 0.607 1.00 0.49 H new ATOM 498 N PRO A 33 10.006 4.391 5.117 1.00 0.39 N ATOM 499 CA PRO A 33 10.364 4.072 6.501 1.00 0.46 C ATOM 500 C PRO A 33 11.300 5.114 7.108 1.00 0.56 C ATOM 501 O PRO A 33 12.070 5.760 6.393 1.00 0.60 O ATOM 502 CB PRO A 33 11.075 2.720 6.391 1.00 0.46 C ATOM 503 CG PRO A 33 11.406 2.560 4.946 1.00 0.42 C ATOM 504 CD PRO A 33 10.336 3.293 4.201 1.00 0.35 C ATOM 0 HA PRO A 33 9.489 4.054 7.151 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.976 2.699 7.004 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.434 1.910 6.739 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.390 2.971 4.722 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.428 1.507 4.664 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.691 3.661 3.238 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.473 2.658 4.001 1.00 0.35 H new ATOM 512 N SER A 34 11.250 5.254 8.424 1.00 0.66 N ATOM 513 CA SER A 34 12.083 6.210 9.136 1.00 0.80 C ATOM 514 C SER A 34 13.567 5.890 8.965 1.00 0.86 C ATOM 515 O SER A 34 14.413 6.787 8.970 1.00 0.96 O ATOM 516 CB SER A 34 11.702 6.201 10.617 1.00 0.92 C ATOM 517 OG SER A 34 10.387 5.686 10.789 1.00 1.02 O ATOM 0 H SER A 34 10.633 4.710 9.027 1.00 0.66 H new ATOM 0 HA SER A 34 11.913 7.203 8.719 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.413 5.594 11.178 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.759 7.212 11.020 1.00 0.92 H new ATOM 0 HG SER A 34 10.158 5.685 11.742 1.00 1.02 H new ATOM 523 N THR A 35 13.879 4.609 8.813 1.00 0.82 N ATOM 524 CA THR A 35 15.259 4.171 8.669 1.00 0.91 C ATOM 525 C THR A 35 15.750 4.297 7.222 1.00 0.92 C ATOM 526 O THR A 35 16.896 3.976 6.920 1.00 1.11 O ATOM 527 CB THR A 35 15.413 2.713 9.141 1.00 0.89 C ATOM 528 OG1 THR A 35 14.323 2.373 10.012 1.00 0.85 O ATOM 529 CG2 THR A 35 16.733 2.513 9.873 1.00 1.08 C ATOM 0 H THR A 35 13.193 3.855 8.786 1.00 0.82 H new ATOM 0 HA THR A 35 15.871 4.823 9.292 1.00 0.91 H new ATOM 0 HB THR A 35 15.404 2.064 8.265 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.135 1.414 9.942 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.817 1.475 10.196 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.560 2.753 9.204 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.769 3.168 10.744 1.00 1.08 H new ATOM 537 N TRP A 36 14.892 4.787 6.334 1.00 0.80 N ATOM 538 CA TRP A 36 15.262 4.959 4.934 1.00 0.83 C ATOM 539 C TRP A 36 15.551 6.423 4.618 1.00 1.00 C ATOM 540 O TRP A 36 14.819 7.316 5.051 1.00 1.09 O ATOM 541 CB TRP A 36 14.142 4.440 4.027 1.00 0.74 C ATOM 542 CG TRP A 36 14.614 4.034 2.664 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.367 4.675 1.486 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.422 2.897 2.341 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.964 4.003 0.450 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.617 2.909 0.948 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.999 1.866 3.094 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.363 1.933 0.291 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.739 0.899 2.439 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.914 0.938 1.050 1.00 1.21 C ATOM 0 H TRP A 36 13.938 5.071 6.558 1.00 0.80 H new ATOM 0 HA TRP A 36 16.170 4.385 4.750 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.664 3.586 4.506 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.382 5.214 3.923 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.786 5.580 1.384 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.927 4.275 -0.532 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.868 1.827 4.165 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.501 1.961 -0.780 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.190 0.100 3.008 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.496 0.166 0.568 1.00 1.21 H new ATOM 561 N PRO A 37 16.615 6.690 3.841 1.00 1.20 N ATOM 562 CA PRO A 37 16.967 8.044 3.413 1.00 1.44 C ATOM 563 C PRO A 37 16.036 8.545 2.311 1.00 1.34 C ATOM 564 O PRO A 37 14.947 7.998 2.115 1.00 1.49 O ATOM 565 CB PRO A 37 18.392 7.884 2.887 1.00 1.76 C ATOM 566 CG PRO A 37 18.449 6.482 2.392 1.00 1.78 C ATOM 567 CD PRO A 37 17.549 5.683 3.295 1.00 1.34 C ATOM 0 HA PRO A 37 16.881 8.774 4.218 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.603 8.596 2.089 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.127 8.058 3.673 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.115 6.421 1.356 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.469 6.100 2.421 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.021 4.904 2.746 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.113 5.189 4.087 1.00 1.34 H new ATOM 575 N ASP A 38 16.458 9.575 1.593 1.00 1.33 N ATOM 576 CA ASP A 38 15.645 10.135 0.518 1.00 1.35 C ATOM 577 C ASP A 38 15.472 9.131 -0.620 1.00 1.29 C ATOM 578 O ASP A 38 16.438 8.514 -1.072 1.00 1.42 O ATOM 579 CB ASP A 38 16.260 11.424 -0.022 1.00 1.65 C ATOM 580 CG ASP A 38 15.260 12.234 -0.822 1.00 1.90 C ATOM 581 OD1 ASP A 38 14.990 11.873 -1.986 1.00 2.16 O ATOM 582 OD2 ASP A 38 14.745 13.243 -0.300 1.00 2.28 O ATOM 0 H ASP A 38 17.355 10.040 1.733 1.00 1.33 H new ATOM 0 HA ASP A 38 14.665 10.363 0.937 1.00 1.35 H new ATOM 0 HB2 ASP A 38 16.633 12.024 0.808 1.00 1.65 H new ATOM 0 HB3 ASP A 38 17.117 11.182 -0.650 1.00 1.65 H new ATOM 587 N PRO A 39 14.220 8.921 -1.058 1.00 1.31 N ATOM 588 CA PRO A 39 13.886 7.945 -2.103 1.00 1.44 C ATOM 589 C PRO A 39 14.498 8.282 -3.463 1.00 1.61 C ATOM 590 O PRO A 39 14.532 7.439 -4.356 1.00 1.84 O ATOM 591 CB PRO A 39 12.356 8.002 -2.182 1.00 1.62 C ATOM 592 CG PRO A 39 11.924 8.598 -0.888 1.00 1.69 C ATOM 593 CD PRO A 39 13.014 9.547 -0.493 1.00 1.44 C ATOM 0 HA PRO A 39 14.282 6.959 -1.858 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.027 8.609 -3.025 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.931 7.008 -2.320 1.00 1.62 H new ATOM 0 HG2 PRO A 39 10.972 9.118 -0.995 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.782 7.827 -0.130 1.00 1.69 H new ATOM 0 HD2 PRO A 39 12.848 10.544 -0.901 1.00 1.44 H new ATOM 0 HD3 PRO A 39 13.084 9.653 0.590 1.00 1.44 H new ATOM 601 N GLU A 40 15.021 9.494 -3.612 1.00 1.57 N ATOM 602 CA GLU A 40 15.687 9.871 -4.851 1.00 1.76 C ATOM 603 C GLU A 40 17.086 9.270 -4.897 1.00 1.76 C ATOM 604 O GLU A 40 17.533 8.784 -5.936 1.00 1.90 O ATOM 605 CB GLU A 40 15.764 11.389 -4.994 1.00 1.90 C ATOM 606 CG GLU A 40 14.949 11.926 -6.159 1.00 2.12 C ATOM 607 CD GLU A 40 13.645 12.546 -5.715 1.00 2.36 C ATOM 608 OE1 GLU A 40 13.643 13.737 -5.343 1.00 2.63 O ATOM 609 OE2 GLU A 40 12.611 11.851 -5.748 1.00 2.91 O ATOM 0 H GLU A 40 14.997 10.223 -2.899 1.00 1.57 H new ATOM 0 HA GLU A 40 15.101 9.481 -5.683 1.00 1.76 H new ATOM 0 HB2 GLU A 40 15.414 11.852 -4.071 1.00 1.90 H new ATOM 0 HB3 GLU A 40 16.806 11.682 -5.123 1.00 1.90 H new ATOM 0 HG2 GLU A 40 15.537 12.670 -6.697 1.00 2.12 H new ATOM 0 HG3 GLU A 40 14.743 11.116 -6.858 1.00 2.12 H new ATOM 616 N SER A 41 17.750 9.250 -3.750 1.00 1.67 N ATOM 617 CA SER A 41 19.071 8.655 -3.647 1.00 1.75 C ATOM 618 C SER A 41 18.961 7.144 -3.497 1.00 1.63 C ATOM 619 O SER A 41 19.739 6.390 -4.081 1.00 1.67 O ATOM 620 CB SER A 41 19.816 9.249 -2.456 1.00 1.82 C ATOM 621 OG SER A 41 19.027 10.236 -1.803 1.00 1.89 O ATOM 0 H SER A 41 17.393 9.640 -2.878 1.00 1.67 H new ATOM 0 HA SER A 41 19.627 8.873 -4.559 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.072 8.458 -1.751 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.753 9.692 -2.793 1.00 1.82 H new ATOM 0 HG SER A 41 19.524 10.601 -1.042 1.00 1.89 H new ATOM 627 N PHE A 42 17.955 6.707 -2.754 1.00 1.51 N ATOM 628 CA PHE A 42 17.706 5.287 -2.565 1.00 1.41 C ATOM 629 C PHE A 42 16.276 4.941 -2.969 1.00 1.27 C ATOM 630 O PHE A 42 15.366 4.960 -2.136 1.00 1.40 O ATOM 631 CB PHE A 42 17.955 4.898 -1.107 1.00 1.58 C ATOM 632 CG PHE A 42 19.347 4.397 -0.853 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.650 3.052 -0.998 1.00 2.54 C ATOM 634 CD2 PHE A 42 20.353 5.268 -0.468 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.931 2.586 -0.763 1.00 3.12 C ATOM 636 CE2 PHE A 42 21.634 4.809 -0.232 1.00 3.01 C ATOM 637 CZ PHE A 42 21.925 3.468 -0.386 1.00 3.32 C ATOM 0 H PHE A 42 17.296 7.318 -2.271 1.00 1.51 H new ATOM 0 HA PHE A 42 18.391 4.724 -3.199 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.766 5.763 -0.471 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.241 4.127 -0.817 1.00 1.58 H new ATOM 0 HD1 PHE A 42 18.877 2.360 -1.298 1.00 2.54 H new ATOM 0 HD2 PHE A 42 20.133 6.319 -0.351 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.153 1.535 -0.874 1.00 3.12 H new ATOM 0 HE2 PHE A 42 22.408 5.498 0.073 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.929 3.109 -0.212 1.00 3.32 H new ATOM 647 N PRO A 43 16.043 4.738 -4.277 1.00 1.24 N ATOM 648 CA PRO A 43 14.700 4.492 -4.819 1.00 1.33 C ATOM 649 C PRO A 43 14.047 3.250 -4.227 1.00 1.26 C ATOM 650 O PRO A 43 14.649 2.170 -4.187 1.00 1.97 O ATOM 651 CB PRO A 43 14.946 4.312 -6.320 1.00 1.58 C ATOM 652 CG PRO A 43 16.220 5.035 -6.581 1.00 1.75 C ATOM 653 CD PRO A 43 17.050 4.843 -5.346 1.00 1.40 C ATOM 0 HA PRO A 43 14.014 5.305 -4.583 1.00 1.33 H new ATOM 0 HB2 PRO A 43 15.027 3.258 -6.585 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.127 4.726 -6.908 1.00 1.58 H new ATOM 0 HG2 PRO A 43 16.726 4.635 -7.460 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.039 6.093 -6.772 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.665 3.945 -5.410 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.726 5.682 -5.181 1.00 1.40 H new ATOM 661 N LEU A 44 12.823 3.422 -3.752 1.00 0.98 N ATOM 662 CA LEU A 44 12.078 2.346 -3.122 1.00 0.82 C ATOM 663 C LEU A 44 10.900 1.923 -3.991 1.00 0.78 C ATOM 664 O LEU A 44 10.108 2.756 -4.424 1.00 0.98 O ATOM 665 CB LEU A 44 11.567 2.807 -1.753 1.00 0.83 C ATOM 666 CG LEU A 44 11.681 1.779 -0.628 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.649 2.469 0.725 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.563 0.755 -0.723 1.00 1.29 C ATOM 0 H LEU A 44 12.321 4.309 -3.793 1.00 0.98 H new ATOM 0 HA LEU A 44 12.742 1.491 -2.998 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.118 3.701 -1.461 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.521 3.095 -1.853 1.00 0.83 H new ATOM 0 HG LEU A 44 12.634 1.260 -0.733 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.731 1.723 1.516 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.483 3.168 0.797 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.710 3.012 0.834 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.662 0.032 0.087 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.600 1.259 -0.643 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.624 0.238 -1.681 1.00 1.29 H new ATOM 680 N LYS A 45 10.721 0.622 -4.141 1.00 0.70 N ATOM 681 CA LYS A 45 9.557 0.096 -4.832 1.00 0.68 C ATOM 682 C LYS A 45 8.568 -0.459 -3.816 1.00 0.60 C ATOM 683 O LYS A 45 8.872 -1.416 -3.100 1.00 0.76 O ATOM 684 CB LYS A 45 9.956 -0.993 -5.829 1.00 0.78 C ATOM 685 CG LYS A 45 8.864 -1.314 -6.837 1.00 1.13 C ATOM 686 CD LYS A 45 9.421 -2.038 -8.051 1.00 1.25 C ATOM 687 CE LYS A 45 9.440 -1.138 -9.274 1.00 1.41 C ATOM 688 NZ LYS A 45 8.479 -1.594 -10.313 1.00 1.75 N ATOM 0 H LYS A 45 11.366 -0.088 -3.794 1.00 0.70 H new ATOM 0 HA LYS A 45 9.088 0.907 -5.390 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.852 -0.677 -6.363 1.00 0.78 H new ATOM 0 HB3 LYS A 45 10.214 -1.900 -5.282 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.100 -1.931 -6.363 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.378 -0.391 -7.154 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.432 -2.385 -7.837 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.818 -2.922 -8.258 1.00 1.25 H new ATOM 0 HE2 LYS A 45 9.197 -0.118 -8.978 1.00 1.41 H new ATOM 0 HE3 LYS A 45 10.446 -1.117 -9.694 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 8.875 -1.409 -11.257 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 8.307 -2.614 -10.203 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 7.582 -1.078 -10.207 1.00 1.75 H new ATOM 702 N PHE A 46 7.422 0.191 -3.701 1.00 0.46 N ATOM 703 CA PHE A 46 6.411 -0.211 -2.736 1.00 0.41 C ATOM 704 C PHE A 46 5.454 -1.213 -3.360 1.00 0.44 C ATOM 705 O PHE A 46 5.112 -1.106 -4.539 1.00 0.58 O ATOM 706 CB PHE A 46 5.635 1.009 -2.237 1.00 0.42 C ATOM 707 CG PHE A 46 6.373 1.814 -1.209 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.408 1.405 0.114 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.032 2.981 -1.564 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.088 2.143 1.063 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.713 3.724 -0.619 1.00 0.48 C ATOM 712 CZ PHE A 46 7.740 3.308 0.693 1.00 0.47 C ATOM 0 H PHE A 46 7.168 1.002 -4.265 1.00 0.46 H new ATOM 0 HA PHE A 46 6.911 -0.681 -1.889 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.398 1.650 -3.086 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.687 0.677 -1.814 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.898 0.499 0.407 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.013 3.313 -2.591 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.111 1.813 2.091 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.224 4.630 -0.909 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.269 3.890 1.433 1.00 0.47 H new ATOM 722 N PHE A 47 5.018 -2.176 -2.566 1.00 0.40 N ATOM 723 CA PHE A 47 4.077 -3.181 -3.037 1.00 0.44 C ATOM 724 C PHE A 47 2.790 -3.103 -2.243 1.00 0.39 C ATOM 725 O PHE A 47 2.791 -3.279 -1.025 1.00 0.59 O ATOM 726 CB PHE A 47 4.669 -4.582 -2.913 1.00 0.55 C ATOM 727 CG PHE A 47 5.947 -4.766 -3.668 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.043 -4.393 -4.998 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.053 -5.309 -3.044 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.225 -4.559 -5.691 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.235 -5.476 -3.730 1.00 0.75 C ATOM 732 CZ PHE A 47 8.322 -5.101 -5.055 1.00 0.73 C ATOM 0 H PHE A 47 5.300 -2.284 -1.592 1.00 0.40 H new ATOM 0 HA PHE A 47 3.868 -2.982 -4.088 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.845 -4.800 -1.860 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.939 -5.308 -3.271 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.185 -3.968 -5.498 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.990 -5.606 -2.007 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.291 -4.265 -6.728 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.094 -5.900 -3.231 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.249 -5.232 -5.594 1.00 0.73 H new ATOM 742 N LEU A 48 1.710 -2.789 -2.924 1.00 0.33 N ATOM 743 CA LEU A 48 0.426 -2.618 -2.273 1.00 0.35 C ATOM 744 C LEU A 48 -0.558 -3.683 -2.736 1.00 0.35 C ATOM 745 O LEU A 48 -0.989 -3.670 -3.885 1.00 0.57 O ATOM 746 CB LEU A 48 -0.119 -1.227 -2.591 1.00 0.44 C ATOM 747 CG LEU A 48 -1.361 -0.814 -1.810 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.159 0.559 -1.195 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.583 -0.820 -2.712 1.00 1.05 C ATOM 0 H LEU A 48 1.694 -2.646 -3.934 1.00 0.33 H new ATOM 0 HA LEU A 48 0.558 -2.722 -1.196 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.667 -0.496 -2.402 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.349 -1.181 -3.656 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.525 -1.534 -1.008 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.053 0.844 -0.639 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.304 0.533 -0.519 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.975 1.288 -1.984 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.461 -0.523 -2.138 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.432 -0.119 -3.533 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.734 -1.822 -3.113 1.00 1.05 H new ATOM 761 N ARG A 49 -1.008 -4.522 -1.817 1.00 0.26 N ATOM 762 CA ARG A 49 -2.078 -5.459 -2.131 1.00 0.27 C ATOM 763 C ARG A 49 -3.336 -5.043 -1.398 1.00 0.24 C ATOM 764 O ARG A 49 -3.273 -4.620 -0.247 1.00 0.30 O ATOM 765 CB ARG A 49 -1.718 -6.906 -1.782 1.00 0.34 C ATOM 766 CG ARG A 49 -0.881 -7.063 -0.531 1.00 0.44 C ATOM 767 CD ARG A 49 -0.178 -8.411 -0.509 1.00 0.75 C ATOM 768 NE ARG A 49 -0.131 -8.982 0.838 1.00 1.07 N ATOM 769 CZ ARG A 49 0.554 -10.079 1.162 1.00 1.28 C ATOM 770 NH1 ARG A 49 1.148 -10.804 0.220 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.622 -10.466 2.427 1.00 2.02 N ATOM 0 H ARG A 49 -0.656 -4.575 -0.861 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.239 -5.428 -3.209 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.639 -7.477 -1.661 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.179 -7.345 -2.621 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.142 -6.263 -0.481 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.516 -6.966 0.350 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.694 -9.100 -1.177 1.00 0.75 H new ATOM 0 HD3 ARG A 49 0.837 -8.297 -0.890 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.655 -8.511 1.575 1.00 1.07 H new ATOM 0 HH11 ARG A 49 1.082 -10.522 -0.758 1.00 1.64 H new ATOM 0 HH12 ARG A 49 1.670 -11.642 0.475 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.151 -9.925 3.152 1.00 2.02 H new ATOM 0 HH22 ARG A 49 1.146 -11.305 2.676 1.00 2.02 H new ATOM 785 N TYR A 50 -4.459 -5.080 -2.093 1.00 0.26 N ATOM 786 CA TYR A 50 -5.712 -4.600 -1.534 1.00 0.27 C ATOM 787 C TYR A 50 -6.836 -5.605 -1.755 1.00 0.28 C ATOM 788 O TYR A 50 -7.599 -5.516 -2.715 1.00 0.36 O ATOM 789 CB TYR A 50 -6.082 -3.225 -2.123 1.00 0.35 C ATOM 790 CG TYR A 50 -5.975 -3.117 -3.635 1.00 0.49 C ATOM 791 CD1 TYR A 50 -4.733 -3.048 -4.255 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.109 -3.108 -4.441 1.00 0.60 C ATOM 793 CE1 TYR A 50 -4.623 -2.966 -5.628 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.005 -3.030 -5.817 1.00 0.79 C ATOM 795 CZ TYR A 50 -5.798 -2.880 -6.401 1.00 0.90 C ATOM 796 OH TYR A 50 -5.652 -2.883 -7.774 1.00 1.13 O ATOM 0 H TYR A 50 -4.530 -5.437 -3.046 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.576 -4.485 -0.459 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.104 -2.985 -1.829 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.436 -2.470 -1.675 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -3.838 -3.059 -3.651 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.086 -3.163 -3.984 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -3.653 -2.968 -6.102 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -7.894 -3.089 -6.428 1.00 0.79 H new ATOM 0 HH TYR A 50 -5.813 -3.786 -8.118 1.00 1.13 H new ATOM 806 N ARG A 51 -6.917 -6.583 -0.875 1.00 0.29 N ATOM 807 CA ARG A 51 -7.947 -7.604 -0.973 1.00 0.34 C ATOM 808 C ARG A 51 -9.178 -7.237 -0.149 1.00 0.29 C ATOM 809 O ARG A 51 -9.089 -7.107 1.071 1.00 0.33 O ATOM 810 CB ARG A 51 -7.401 -8.956 -0.507 1.00 0.46 C ATOM 811 CG ARG A 51 -8.456 -10.050 -0.439 1.00 0.64 C ATOM 812 CD ARG A 51 -8.383 -10.809 0.875 1.00 1.25 C ATOM 813 NE ARG A 51 -7.348 -11.844 0.862 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.477 -12.038 1.854 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.507 -11.263 2.931 1.00 2.62 N ATOM 816 NH2 ARG A 51 -5.587 -13.016 1.770 1.00 3.10 N ATOM 0 H ARG A 51 -6.283 -6.694 -0.083 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.244 -7.672 -2.020 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.607 -9.270 -1.184 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -6.950 -8.836 0.478 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.447 -9.610 -0.552 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.318 -10.743 -1.269 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.183 -10.109 1.686 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.350 -11.268 1.081 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.289 -12.453 0.046 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.198 -10.516 3.003 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.839 -11.415 3.687 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.568 -13.619 0.948 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -4.921 -13.165 2.528 1.00 3.10 H new ATOM 830 N PRO A 52 -10.370 -7.215 -0.763 1.00 0.32 N ATOM 831 CA PRO A 52 -11.612 -7.096 -0.010 1.00 0.38 C ATOM 832 C PRO A 52 -11.851 -8.362 0.803 1.00 0.44 C ATOM 833 O PRO A 52 -11.573 -9.467 0.329 1.00 0.51 O ATOM 834 CB PRO A 52 -12.679 -6.960 -1.096 1.00 0.52 C ATOM 835 CG PRO A 52 -12.108 -7.679 -2.265 1.00 0.65 C ATOM 836 CD PRO A 52 -10.615 -7.457 -2.198 1.00 0.45 C ATOM 0 HA PRO A 52 -11.609 -6.262 0.692 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.625 -7.401 -0.781 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.877 -5.914 -1.330 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.347 -8.742 -2.225 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.519 -7.295 -3.199 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.063 -8.325 -2.559 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.307 -6.607 -2.807 1.00 0.45 H new ATOM 844 N LEU A 53 -12.337 -8.217 2.022 1.00 0.50 N ATOM 845 CA LEU A 53 -12.575 -9.370 2.884 1.00 0.65 C ATOM 846 C LEU A 53 -13.829 -10.136 2.451 1.00 0.81 C ATOM 847 O LEU A 53 -14.615 -10.584 3.286 1.00 1.22 O ATOM 848 CB LEU A 53 -12.699 -8.928 4.345 1.00 0.70 C ATOM 849 CG LEU A 53 -11.471 -9.219 5.211 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.602 -7.978 5.345 1.00 1.32 C ATOM 851 CD2 LEU A 53 -11.892 -9.727 6.582 1.00 1.40 C ATOM 0 H LEU A 53 -12.575 -7.318 2.440 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.721 -10.041 2.791 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -12.898 -7.857 4.370 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.563 -9.423 4.787 1.00 0.70 H new ATOM 0 HG LEU A 53 -10.884 -9.996 4.721 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.735 -8.206 5.964 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.269 -7.659 4.357 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.179 -7.178 5.809 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.006 -9.928 7.183 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.503 -8.973 7.078 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -12.470 -10.644 6.468 1.00 1.40 H new ATOM 863 N ILE A 54 -13.986 -10.306 1.140 1.00 0.85 N ATOM 864 CA ILE A 54 -15.113 -11.028 0.575 1.00 1.01 C ATOM 865 C ILE A 54 -14.746 -11.700 -0.750 1.00 1.08 C ATOM 866 O ILE A 54 -15.441 -12.613 -1.190 1.00 1.34 O ATOM 867 CB ILE A 54 -16.319 -10.101 0.319 1.00 1.16 C ATOM 868 CG1 ILE A 54 -15.854 -8.721 -0.152 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.182 -9.978 1.564 1.00 1.27 C ATOM 870 CD1 ILE A 54 -16.403 -8.330 -1.507 1.00 1.46 C ATOM 0 H ILE A 54 -13.333 -9.946 0.444 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.381 -11.784 1.313 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.923 -10.546 -0.471 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.155 -7.974 0.583 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -14.765 -8.707 -0.192 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.026 -9.319 1.358 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.552 -10.963 1.849 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.588 -9.563 2.379 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.033 -7.341 -1.778 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -16.080 -9.056 -2.254 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -17.492 -8.311 -1.467 1.00 1.46 H new ATOM 882 N LEU A 55 -13.744 -11.164 -1.452 1.00 0.95 N ATOM 883 CA LEU A 55 -13.427 -11.640 -2.792 1.00 1.10 C ATOM 884 C LEU A 55 -12.037 -11.187 -3.224 1.00 1.12 C ATOM 885 O LEU A 55 -11.263 -10.680 -2.411 1.00 1.51 O ATOM 886 CB LEU A 55 -14.456 -11.094 -3.783 1.00 1.25 C ATOM 887 CG LEU A 55 -15.006 -12.105 -4.785 1.00 1.48 C ATOM 888 CD1 LEU A 55 -16.482 -12.333 -4.535 1.00 1.69 C ATOM 889 CD2 LEU A 55 -14.766 -11.621 -6.206 1.00 2.11 C ATOM 0 H LEU A 55 -13.147 -10.409 -1.116 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.451 -12.730 -2.779 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -15.291 -10.676 -3.220 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -14.001 -10.272 -4.336 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.485 -13.053 -4.656 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.866 -13.056 -5.255 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -16.625 -12.716 -3.525 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -17.019 -11.391 -4.645 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -15.163 -12.351 -6.911 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -15.267 -10.664 -6.354 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.696 -11.500 -6.373 1.00 2.11 H new ATOM 901 N ASP A 56 -11.797 -11.284 -4.533 1.00 1.38 N ATOM 902 CA ASP A 56 -10.580 -10.792 -5.194 1.00 1.54 C ATOM 903 C ASP A 56 -9.331 -11.588 -4.834 1.00 1.19 C ATOM 904 O ASP A 56 -8.540 -11.923 -5.717 1.00 1.44 O ATOM 905 CB ASP A 56 -10.346 -9.304 -4.916 1.00 2.08 C ATOM 906 CG ASP A 56 -9.894 -8.541 -6.151 1.00 2.58 C ATOM 907 OD1 ASP A 56 -8.761 -8.787 -6.624 1.00 2.89 O ATOM 908 OD2 ASP A 56 -10.660 -7.690 -6.652 1.00 2.90 O ATOM 0 H ASP A 56 -12.456 -11.716 -5.180 1.00 1.38 H new ATOM 0 HA ASP A 56 -10.757 -10.933 -6.260 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -11.266 -8.860 -4.536 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.595 -9.198 -4.133 1.00 2.08 H new ATOM 913 N GLN A 57 -9.087 -11.751 -3.534 1.00 0.83 N ATOM 914 CA GLN A 57 -7.849 -12.344 -3.032 1.00 0.93 C ATOM 915 C GLN A 57 -6.717 -11.342 -3.183 1.00 0.79 C ATOM 916 O GLN A 57 -6.968 -10.155 -3.390 1.00 0.82 O ATOM 917 CB GLN A 57 -7.517 -13.661 -3.739 1.00 1.30 C ATOM 918 CG GLN A 57 -8.439 -14.803 -3.347 1.00 1.81 C ATOM 919 CD GLN A 57 -8.808 -15.679 -4.524 1.00 2.19 C ATOM 920 OE1 GLN A 57 -7.956 -16.354 -5.103 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.077 -15.669 -4.893 1.00 2.43 N ATOM 0 H GLN A 57 -9.741 -11.476 -2.801 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.983 -12.583 -1.977 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -7.574 -13.511 -4.817 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -6.488 -13.939 -3.510 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -7.954 -15.411 -2.583 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.347 -14.396 -2.902 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.751 -15.095 -4.386 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -10.382 -16.235 -5.685 1.00 2.43 H new ATOM 930 N TRP A 58 -5.495 -11.774 -2.946 1.00 0.73 N ATOM 931 CA TRP A 58 -4.381 -10.850 -2.929 1.00 0.63 C ATOM 932 C TRP A 58 -4.085 -10.303 -4.312 1.00 0.67 C ATOM 933 O TRP A 58 -3.968 -11.052 -5.282 1.00 0.76 O ATOM 934 CB TRP A 58 -3.145 -11.502 -2.333 1.00 0.71 C ATOM 935 CG TRP A 58 -3.053 -11.303 -0.856 1.00 0.70 C ATOM 936 CD1 TRP A 58 -2.626 -12.198 0.077 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.414 -10.120 -0.147 1.00 0.57 C ATOM 938 NE1 TRP A 58 -2.672 -11.628 1.329 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.158 -10.350 1.213 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.921 -8.882 -0.540 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.392 -9.382 2.183 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.152 -7.926 0.418 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.888 -8.178 1.761 1.00 0.49 C ATOM 0 H TRP A 58 -5.250 -12.747 -2.765 1.00 0.73 H new ATOM 0 HA TRP A 58 -4.666 -10.009 -2.297 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.159 -12.569 -2.553 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.255 -11.090 -2.809 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.300 -13.206 -0.134 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.391 -12.081 2.199 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.128 -8.679 -1.580 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.191 -9.572 3.227 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.545 -6.964 0.125 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.079 -7.404 2.489 1.00 0.49 H new ATOM 954 N GLN A 59 -3.991 -8.986 -4.391 1.00 0.70 N ATOM 955 CA GLN A 59 -3.729 -8.307 -5.646 1.00 0.79 C ATOM 956 C GLN A 59 -2.835 -7.107 -5.390 1.00 0.95 C ATOM 957 O GLN A 59 -3.242 -6.160 -4.718 1.00 1.64 O ATOM 958 CB GLN A 59 -5.042 -7.866 -6.286 1.00 1.06 C ATOM 959 CG GLN A 59 -4.891 -7.363 -7.709 1.00 1.36 C ATOM 960 CD GLN A 59 -5.930 -6.324 -8.063 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.647 -5.360 -8.776 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.141 -6.509 -7.563 1.00 2.14 N ATOM 0 H GLN A 59 -4.094 -8.362 -3.591 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.225 -8.989 -6.331 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.738 -8.704 -6.279 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -5.486 -7.078 -5.677 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -3.896 -6.937 -7.838 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.970 -8.203 -8.399 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.332 -7.322 -6.977 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.883 -5.839 -7.764 1.00 2.14 H new ATOM 971 N HIS A 60 -1.586 -7.211 -5.810 1.00 0.80 N ATOM 972 CA HIS A 60 -0.598 -6.187 -5.502 1.00 1.11 C ATOM 973 C HIS A 60 -0.279 -5.319 -6.708 1.00 0.88 C ATOM 974 O HIS A 60 -0.251 -5.790 -7.846 1.00 1.12 O ATOM 975 CB HIS A 60 0.697 -6.804 -4.933 1.00 1.75 C ATOM 976 CG HIS A 60 1.378 -7.823 -5.814 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.896 -7.535 -7.062 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.662 -9.130 -5.593 1.00 2.11 C ATOM 979 CE1 HIS A 60 2.465 -8.617 -7.562 1.00 2.81 C ATOM 980 NE2 HIS A 60 2.340 -9.599 -6.692 1.00 2.58 N ATOM 0 H HIS A 60 -1.231 -7.991 -6.364 1.00 0.80 H new ATOM 0 HA HIS A 60 -1.042 -5.549 -4.738 1.00 1.11 H new ATOM 0 HB2 HIS A 60 1.402 -5.998 -4.728 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.464 -7.274 -3.978 1.00 1.75 H new ATOM 0 HD1 HIS A 60 1.847 -6.628 -7.525 1.00 2.49 H new ATOM 0 HD2 HIS A 60 1.402 -9.699 -4.713 1.00 2.11 H new ATOM 0 HE1 HIS A 60 2.952 -8.686 -8.524 1.00 2.81 H new ATOM 989 N VAL A 61 0.013 -4.061 -6.425 1.00 0.60 N ATOM 990 CA VAL A 61 0.425 -3.103 -7.434 1.00 0.59 C ATOM 991 C VAL A 61 1.808 -2.563 -7.088 1.00 0.51 C ATOM 992 O VAL A 61 2.197 -2.545 -5.916 1.00 0.55 O ATOM 993 CB VAL A 61 -0.576 -1.935 -7.558 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.783 -2.359 -8.379 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.012 -1.441 -6.186 1.00 1.48 C ATOM 0 H VAL A 61 -0.030 -3.674 -5.482 1.00 0.60 H new ATOM 0 HA VAL A 61 0.454 -3.617 -8.395 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.076 -1.112 -8.069 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -2.480 -1.525 -8.458 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -1.458 -2.656 -9.376 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -2.277 -3.200 -7.892 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -1.717 -0.618 -6.303 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -1.491 -2.255 -5.642 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -0.140 -1.096 -5.630 1.00 1.48 H new ATOM 1005 N GLU A 62 2.569 -2.207 -8.109 1.00 0.81 N ATOM 1006 CA GLU A 62 3.933 -1.744 -7.919 1.00 1.05 C ATOM 1007 C GLU A 62 3.992 -0.224 -7.901 1.00 0.71 C ATOM 1008 O GLU A 62 3.442 0.441 -8.781 1.00 0.80 O ATOM 1009 CB GLU A 62 4.834 -2.282 -9.027 1.00 1.61 C ATOM 1010 CG GLU A 62 5.340 -3.692 -8.780 1.00 2.42 C ATOM 1011 CD GLU A 62 6.200 -4.199 -9.915 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.642 -4.728 -10.898 1.00 3.60 O ATOM 1013 OE2 GLU A 62 7.438 -4.057 -9.840 1.00 3.63 O ATOM 0 H GLU A 62 2.264 -2.230 -9.082 1.00 0.81 H new ATOM 0 HA GLU A 62 4.285 -2.117 -6.957 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.285 -2.263 -9.969 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.688 -1.615 -9.143 1.00 1.61 H new ATOM 0 HG2 GLU A 62 5.915 -3.713 -7.854 1.00 2.42 H new ATOM 0 HG3 GLU A 62 4.491 -4.362 -8.643 1.00 2.42 H new ATOM 1020 N LEU A 63 4.627 0.320 -6.877 1.00 0.61 N ATOM 1021 CA LEU A 63 4.742 1.761 -6.725 1.00 0.71 C ATOM 1022 C LEU A 63 6.204 2.183 -6.647 1.00 0.75 C ATOM 1023 O LEU A 63 6.815 2.141 -5.579 1.00 0.94 O ATOM 1024 CB LEU A 63 3.998 2.220 -5.470 1.00 0.97 C ATOM 1025 CG LEU A 63 2.475 2.111 -5.545 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.949 1.185 -4.460 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.839 3.485 -5.431 1.00 1.18 C ATOM 0 H LEU A 63 5.073 -0.218 -6.134 1.00 0.61 H new ATOM 0 HA LEU A 63 4.293 2.233 -7.599 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.348 1.631 -4.623 1.00 0.97 H new ATOM 0 HB3 LEU A 63 4.263 3.258 -5.268 1.00 0.97 H new ATOM 0 HG LEU A 63 2.208 1.687 -6.513 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.863 1.121 -4.531 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.380 0.192 -4.589 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.226 1.577 -3.481 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.755 3.390 -5.486 1.00 1.18 H new ATOM 0 HD22 LEU A 63 2.116 3.936 -4.478 1.00 1.18 H new ATOM 0 HD23 LEU A 63 2.190 4.117 -6.247 1.00 1.18 H new ATOM 1039 N SER A 64 6.747 2.628 -7.769 1.00 0.78 N ATOM 1040 CA SER A 64 8.118 3.115 -7.818 1.00 0.89 C ATOM 1041 C SER A 64 8.207 4.503 -7.194 1.00 0.82 C ATOM 1042 O SER A 64 7.866 5.502 -7.829 1.00 1.57 O ATOM 1043 CB SER A 64 8.608 3.151 -9.266 1.00 1.13 C ATOM 1044 OG SER A 64 7.992 2.129 -10.036 1.00 1.36 O ATOM 0 H SER A 64 6.257 2.662 -8.663 1.00 0.78 H new ATOM 0 HA SER A 64 8.754 2.437 -7.248 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.388 4.124 -9.704 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.691 3.028 -9.291 1.00 1.13 H new ATOM 0 HG SER A 64 8.319 2.172 -10.959 1.00 1.36 H new ATOM 1050 N ASN A 65 8.604 4.537 -5.924 1.00 1.03 N ATOM 1051 CA ASN A 65 8.712 5.779 -5.161 1.00 0.94 C ATOM 1052 C ASN A 65 7.352 6.454 -5.021 1.00 0.82 C ATOM 1053 O ASN A 65 7.257 7.676 -4.892 1.00 1.16 O ATOM 1054 CB ASN A 65 9.721 6.732 -5.807 1.00 1.03 C ATOM 1055 CG ASN A 65 11.153 6.398 -5.440 1.00 1.41 C ATOM 1056 OD1 ASN A 65 11.420 5.801 -4.395 1.00 2.04 O ATOM 1057 ND2 ASN A 65 12.087 6.774 -6.296 1.00 1.97 N ATOM 0 H ASN A 65 8.860 3.704 -5.394 1.00 1.03 H new ATOM 0 HA ASN A 65 9.071 5.527 -4.163 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.609 6.694 -6.891 1.00 1.03 H new ATOM 0 HB3 ASN A 65 9.499 7.754 -5.499 1.00 1.03 H new ATOM 0 HD21 ASN A 65 13.068 6.572 -6.102 1.00 1.97 H new ATOM 0 HD22 ASN A 65 11.827 7.266 -7.151 1.00 1.97 H new ATOM 1064 N GLY A 66 6.303 5.641 -5.005 1.00 0.69 N ATOM 1065 CA GLY A 66 4.961 6.155 -4.818 1.00 0.66 C ATOM 1066 C GLY A 66 4.580 6.183 -3.355 1.00 0.61 C ATOM 1067 O GLY A 66 5.052 5.353 -2.579 1.00 0.87 O ATOM 0 H GLY A 66 6.359 4.629 -5.119 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.894 7.161 -5.232 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.253 5.536 -5.368 1.00 0.66 H new ATOM 1071 N THR A 67 3.800 7.178 -2.963 1.00 0.40 N ATOM 1072 CA THR A 67 3.451 7.359 -1.560 1.00 0.41 C ATOM 1073 C THR A 67 1.985 7.756 -1.386 1.00 0.36 C ATOM 1074 O THR A 67 1.472 7.804 -0.269 1.00 0.39 O ATOM 1075 CB THR A 67 4.345 8.431 -0.917 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.769 9.372 -1.916 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.564 7.798 -0.262 1.00 0.70 C ATOM 0 H THR A 67 3.397 7.871 -3.593 1.00 0.40 H new ATOM 0 HA THR A 67 3.609 6.401 -1.065 1.00 0.41 H new ATOM 0 HB THR A 67 3.767 8.946 -0.149 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.337 10.055 -1.502 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.182 8.576 0.186 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.241 7.101 0.511 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.144 7.263 -1.014 1.00 0.70 H new ATOM 1085 N ALA A 68 1.319 8.056 -2.492 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.075 8.473 -2.452 1.00 0.47 C ATOM 1087 C ALA A 68 -0.898 7.709 -3.482 1.00 0.47 C ATOM 1088 O ALA A 68 -1.129 8.190 -4.594 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.183 9.973 -2.690 1.00 0.59 C ATOM 0 H ALA A 68 1.722 8.018 -3.428 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.474 8.246 -1.463 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.231 10.272 -2.658 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.370 10.505 -1.916 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.234 10.217 -3.667 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.352 6.526 -3.106 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.196 5.722 -3.978 1.00 0.45 C ATOM 1097 C HIS A 69 -3.670 6.010 -3.716 1.00 0.40 C ATOM 1098 O HIS A 69 -4.051 6.409 -2.618 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.911 4.231 -3.791 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.061 3.432 -5.052 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.497 3.802 -6.253 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.720 2.274 -5.291 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -1.802 2.908 -7.174 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.544 1.969 -6.616 1.00 0.75 N ATOM 0 H HIS A 69 -1.151 6.099 -2.202 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.964 5.992 -5.008 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.897 4.108 -3.410 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.587 3.832 -3.034 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.281 1.697 -4.571 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -1.496 2.939 -8.209 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -2.924 1.151 -7.093 1.00 0.75 H new ATOM 1113 N THR A 70 -4.491 5.802 -4.723 1.00 0.41 N ATOM 1114 CA THR A 70 -5.921 6.018 -4.604 1.00 0.44 C ATOM 1115 C THR A 70 -6.673 4.935 -5.361 1.00 0.47 C ATOM 1116 O THR A 70 -6.408 4.694 -6.540 1.00 0.72 O ATOM 1117 CB THR A 70 -6.328 7.402 -5.143 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.157 8.160 -5.479 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.148 8.161 -4.112 1.00 0.84 C ATOM 0 H THR A 70 -4.191 5.480 -5.643 1.00 0.41 H new ATOM 0 HA THR A 70 -6.179 5.975 -3.546 1.00 0.44 H new ATOM 0 HB THR A 70 -6.936 7.257 -6.036 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.423 9.038 -5.823 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.425 9.136 -4.513 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.050 7.596 -3.877 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.558 8.296 -3.206 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.506 4.195 -4.647 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.207 3.063 -5.232 1.00 0.44 C ATOM 1129 C ILE A 71 -9.714 3.245 -5.131 1.00 0.34 C ATOM 1130 O ILE A 71 -10.272 3.232 -4.036 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.810 1.737 -4.543 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.288 1.600 -4.471 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -8.412 0.553 -5.282 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -5.811 0.791 -3.285 1.00 0.70 C ATOM 0 H ILE A 71 -7.713 4.358 -3.662 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.918 3.017 -6.282 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.203 1.750 -3.526 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.929 1.132 -5.388 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -5.843 2.594 -4.425 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -8.123 -0.372 -4.784 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -9.499 0.640 -5.284 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -8.047 0.541 -6.309 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -4.723 0.735 -3.297 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -6.140 1.269 -2.362 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.227 -0.215 -3.340 1.00 0.70 H new ATOM 1146 N THR A 72 -10.369 3.355 -6.277 1.00 0.37 N ATOM 1147 CA THR A 72 -11.823 3.459 -6.332 1.00 0.33 C ATOM 1148 C THR A 72 -12.427 2.087 -6.617 1.00 0.31 C ATOM 1149 O THR A 72 -13.597 1.951 -6.974 1.00 0.33 O ATOM 1150 CB THR A 72 -12.262 4.453 -7.424 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.211 5.398 -7.673 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.520 5.193 -7.011 1.00 1.22 C ATOM 0 H THR A 72 -9.914 3.375 -7.190 1.00 0.37 H new ATOM 0 HA THR A 72 -12.178 3.824 -5.368 1.00 0.33 H new ATOM 0 HB THR A 72 -12.473 3.889 -8.333 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.418 5.912 -8.481 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.808 5.888 -7.799 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.325 4.477 -6.846 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.331 5.746 -6.091 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.599 1.072 -6.446 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.993 -0.314 -6.671 1.00 0.40 C ATOM 1162 C ASP A 73 -12.417 -0.963 -5.368 1.00 0.39 C ATOM 1163 O ASP A 73 -12.466 -2.189 -5.259 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.827 -1.097 -7.279 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.263 -2.076 -8.350 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -12.443 -2.491 -8.332 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -10.438 -2.448 -9.207 1.00 1.21 O ATOM 0 H ASP A 73 -10.630 1.182 -6.146 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.836 -0.326 -7.362 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -10.110 -0.396 -7.706 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.310 -1.640 -6.488 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.519 -0.159 -4.332 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.703 -0.696 -3.005 1.00 0.33 C ATOM 1174 C ALA A 74 -14.175 -0.839 -2.649 1.00 0.35 C ATOM 1175 O ALA A 74 -15.030 -0.128 -3.172 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.968 0.165 -2.003 1.00 0.36 C ATOM 0 H ALA A 74 -12.478 0.859 -4.383 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.283 -1.701 -2.978 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.108 -0.242 -1.002 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.905 0.177 -2.244 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.360 1.181 -2.040 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.459 -1.782 -1.771 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.818 -2.046 -1.341 1.00 0.52 C ATOM 1184 C TYR A 75 -16.150 -1.205 -0.122 1.00 0.46 C ATOM 1185 O TYR A 75 -15.588 -1.413 0.948 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.990 -3.530 -1.017 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.432 -4.367 -2.193 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.781 -4.558 -2.469 1.00 1.67 C ATOM 1189 CD2 TYR A 75 -15.501 -4.954 -3.037 1.00 1.38 C ATOM 1190 CE1 TYR A 75 -18.187 -5.309 -3.556 1.00 2.26 C ATOM 1191 CE2 TYR A 75 -15.899 -5.710 -4.121 1.00 1.85 C ATOM 1192 CZ TYR A 75 -17.251 -5.931 -4.340 1.00 2.21 C ATOM 1193 OH TYR A 75 -17.638 -6.626 -5.466 1.00 2.86 O ATOM 0 H TYR A 75 -13.758 -2.383 -1.338 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.500 -1.782 -2.149 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.045 -3.921 -0.640 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.721 -3.634 -0.215 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -18.524 -4.112 -1.824 1.00 1.67 H new ATOM 0 HD2 TYR A 75 -14.447 -4.817 -2.843 1.00 1.38 H new ATOM 0 HE1 TYR A 75 -19.238 -5.405 -3.787 1.00 2.26 H new ATOM 0 HE2 TYR A 75 -15.164 -6.126 -4.794 1.00 1.85 H new ATOM 0 HH TYR A 75 -16.847 -7.004 -5.905 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.993 -0.201 -0.313 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.345 0.726 0.755 1.00 0.57 C ATOM 1205 C ALA A 76 -17.880 -0.008 1.975 1.00 0.50 C ATOM 1206 O ALA A 76 -17.479 0.261 3.108 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.373 1.728 0.259 1.00 0.74 C ATOM 0 H ALA A 76 -17.449 -0.006 -1.204 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.439 1.254 1.051 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.629 2.416 1.065 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.959 2.289 -0.579 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.269 1.199 -0.065 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.812 -0.915 1.734 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.441 -1.649 2.814 1.00 0.55 C ATOM 1215 C GLY A 77 -18.731 -2.945 3.149 1.00 0.48 C ATOM 1216 O GLY A 77 -19.350 -3.883 3.652 1.00 0.58 O ATOM 0 H GLY A 77 -19.148 -1.159 0.802 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.472 -1.019 3.703 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.474 -1.868 2.543 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.435 -3.008 2.881 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.655 -4.202 3.176 1.00 0.49 C ATOM 1222 C LYS A 78 -15.242 -3.825 3.580 1.00 0.43 C ATOM 1223 O LYS A 78 -14.703 -2.822 3.115 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.616 -5.135 1.966 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.452 -6.388 2.141 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.546 -6.478 1.089 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.874 -6.882 1.702 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.682 -5.700 2.096 1.00 2.32 N ATOM 0 H LYS A 78 -16.901 -2.247 2.460 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.135 -4.723 4.005 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.967 -4.593 1.088 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.583 -5.422 1.771 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -16.810 -7.267 2.077 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.900 -6.392 3.135 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.652 -5.515 0.590 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.260 -7.203 0.326 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -20.436 -7.484 0.988 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.695 -7.508 2.576 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.352 -5.971 2.844 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -20.053 -4.951 2.449 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.209 -5.349 1.271 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.642 -4.629 4.438 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.291 -4.372 4.899 1.00 0.43 C ATOM 1244 C GLU A 79 -12.282 -4.676 3.807 1.00 0.37 C ATOM 1245 O GLU A 79 -12.273 -5.767 3.235 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.978 -5.207 6.135 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.588 -4.378 7.346 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.765 -4.083 8.250 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -14.719 -4.891 8.272 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -13.753 -3.039 8.935 1.00 2.05 O ATOM 0 H GLU A 79 -15.070 -5.467 4.830 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.221 -3.315 5.158 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.850 -5.812 6.385 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.167 -5.897 5.901 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.822 -4.907 7.913 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -12.146 -3.439 7.012 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.425 -3.711 3.537 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.369 -3.874 2.560 1.00 0.38 C ATOM 1259 C TYR A 80 -9.033 -3.998 3.276 1.00 0.41 C ATOM 1260 O TYR A 80 -8.577 -3.046 3.914 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.343 -2.676 1.609 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.529 -3.037 0.152 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -11.754 -3.489 -0.324 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.479 -2.921 -0.750 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -11.924 -3.816 -1.655 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -9.644 -3.247 -2.082 1.00 0.64 C ATOM 1267 CZ TYR A 80 -10.867 -3.694 -2.529 1.00 0.66 C ATOM 1268 OH TYR A 80 -11.030 -4.027 -3.855 1.00 0.85 O ATOM 0 H TYR A 80 -11.441 -2.796 3.987 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.553 -4.777 1.979 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -11.127 -1.977 1.901 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.392 -2.155 1.724 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.586 -3.586 0.358 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.518 -2.570 -0.404 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -12.882 -4.166 -2.009 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -8.817 -3.152 -2.770 1.00 0.64 H new ATOM 0 HH TYR A 80 -11.455 -3.282 -4.330 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.401 -5.160 3.179 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.100 -5.347 3.796 1.00 0.33 C ATOM 1280 C ILE A 81 -6.001 -4.973 2.810 1.00 0.29 C ATOM 1281 O ILE A 81 -5.815 -5.623 1.778 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.885 -6.787 4.340 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.434 -6.974 4.791 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.261 -7.839 3.310 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.292 -7.221 6.275 1.00 1.11 C ATOM 0 H ILE A 81 -8.764 -5.976 2.686 1.00 0.31 H new ATOM 0 HA ILE A 81 -7.057 -4.686 4.661 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.543 -6.918 5.199 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.998 -7.812 4.248 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.861 -6.087 4.522 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.097 -8.832 3.728 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.312 -7.727 3.042 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.645 -7.713 2.420 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.238 -7.344 6.524 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.698 -6.372 6.826 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.837 -8.125 6.547 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.373 -3.843 3.073 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.359 -3.304 2.188 1.00 0.30 C ATOM 1299 C ILE A 82 -2.991 -3.390 2.845 1.00 0.32 C ATOM 1300 O ILE A 82 -2.656 -2.584 3.712 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.659 -1.837 1.814 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.037 -1.725 1.160 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.582 -1.292 0.886 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.561 -0.307 1.088 1.00 0.64 C ATOM 0 H ILE A 82 -5.550 -3.275 3.902 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.366 -3.900 1.275 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.660 -1.241 2.726 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.986 -2.136 0.152 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.745 -2.337 1.718 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.810 -0.257 0.633 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.614 -1.339 1.385 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.550 -1.890 -0.025 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.542 -0.305 0.612 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.645 0.101 2.095 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.874 0.306 0.504 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.205 -4.369 2.440 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.874 -4.521 2.993 1.00 0.34 C ATOM 1318 C GLN A 83 0.163 -3.917 2.072 1.00 0.29 C ATOM 1319 O GLN A 83 0.025 -3.947 0.846 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.534 -5.983 3.263 1.00 0.44 C ATOM 1321 CG GLN A 83 0.488 -6.154 4.377 1.00 0.60 C ATOM 1322 CD GLN A 83 0.449 -7.529 5.006 1.00 0.71 C ATOM 1323 OE1 GLN A 83 0.042 -8.504 4.375 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.881 -7.614 6.253 1.00 0.64 N ATOM 0 H GLN A 83 -2.461 -5.063 1.738 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.862 -3.989 3.944 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.445 -6.521 3.526 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.149 -6.436 2.350 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.486 -5.970 3.979 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.308 -5.403 5.146 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.209 -6.778 6.737 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.886 -8.515 6.731 1.00 0.64 H new ATOM 1333 N VAL A 84 1.186 -3.349 2.679 1.00 0.28 N ATOM 1334 CA VAL A 84 2.249 -2.695 1.949 1.00 0.28 C ATOM 1335 C VAL A 84 3.603 -3.326 2.283 1.00 0.28 C ATOM 1336 O VAL A 84 3.976 -3.437 3.459 1.00 0.32 O ATOM 1337 CB VAL A 84 2.283 -1.188 2.277 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.377 -0.482 1.492 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.931 -0.549 1.995 1.00 0.51 C ATOM 0 H VAL A 84 1.302 -3.329 3.692 1.00 0.28 H new ATOM 0 HA VAL A 84 2.054 -2.823 0.884 1.00 0.28 H new ATOM 0 HB VAL A 84 2.505 -1.080 3.339 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.378 0.579 1.743 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.344 -0.916 1.745 1.00 0.36 H new ATOM 0 HG13 VAL A 84 3.194 -0.602 0.424 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.974 0.514 2.232 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.681 -0.676 0.942 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.168 -1.027 2.609 1.00 0.51 H new ATOM 1349 N ALA A 85 4.326 -3.729 1.241 1.00 0.31 N ATOM 1350 CA ALA A 85 5.669 -4.287 1.384 1.00 0.36 C ATOM 1351 C ALA A 85 6.695 -3.306 0.823 1.00 0.30 C ATOM 1352 O ALA A 85 6.336 -2.206 0.395 1.00 0.37 O ATOM 1353 CB ALA A 85 5.785 -5.631 0.672 1.00 0.49 C ATOM 0 H ALA A 85 3.999 -3.678 0.276 1.00 0.31 H new ATOM 0 HA ALA A 85 5.863 -4.450 2.444 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.795 -6.022 0.795 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.069 -6.333 1.100 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.574 -5.500 -0.389 1.00 0.49 H new ATOM 1359 N ALA A 86 7.957 -3.711 0.790 1.00 0.35 N ATOM 1360 CA ALA A 86 9.012 -2.850 0.278 1.00 0.45 C ATOM 1361 C ALA A 86 10.092 -3.648 -0.437 1.00 0.40 C ATOM 1362 O ALA A 86 10.285 -4.834 -0.166 1.00 0.55 O ATOM 1363 CB ALA A 86 9.625 -2.045 1.415 1.00 0.70 C ATOM 0 H ALA A 86 8.274 -4.626 1.110 1.00 0.35 H new ATOM 0 HA ALA A 86 8.565 -2.172 -0.448 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.414 -1.403 1.022 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.855 -1.430 1.882 1.00 0.70 H new ATOM 0 HB3 ALA A 86 10.045 -2.724 2.156 1.00 0.70 H new ATOM 1369 N LYS A 87 10.794 -2.983 -1.344 1.00 0.46 N ATOM 1370 CA LYS A 87 11.873 -3.596 -2.107 1.00 0.49 C ATOM 1371 C LYS A 87 12.730 -2.503 -2.737 1.00 0.61 C ATOM 1372 O LYS A 87 12.223 -1.437 -3.088 1.00 0.80 O ATOM 1373 CB LYS A 87 11.293 -4.525 -3.184 1.00 0.62 C ATOM 1374 CG LYS A 87 12.268 -4.917 -4.285 1.00 0.69 C ATOM 1375 CD LYS A 87 11.657 -4.707 -5.662 1.00 0.91 C ATOM 1376 CE LYS A 87 12.468 -5.386 -6.752 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.289 -4.414 -7.517 1.00 1.33 N ATOM 0 H LYS A 87 10.631 -2.002 -1.572 1.00 0.46 H new ATOM 0 HA LYS A 87 12.498 -4.194 -1.444 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.928 -5.432 -2.702 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.431 -4.036 -3.639 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.179 -4.326 -4.195 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.553 -5.962 -4.166 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.639 -5.097 -5.671 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.591 -3.639 -5.871 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.118 -6.138 -6.306 1.00 1.08 H new ATOM 0 HE3 LYS A 87 11.796 -5.909 -7.433 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 14.089 -4.909 -7.961 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.705 -3.970 -8.254 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.649 -3.681 -6.873 1.00 1.33 H new ATOM 1391 N ASP A 88 14.022 -2.765 -2.879 1.00 0.67 N ATOM 1392 CA ASP A 88 14.923 -1.811 -3.516 1.00 0.81 C ATOM 1393 C ASP A 88 14.640 -1.775 -5.016 1.00 0.90 C ATOM 1394 O ASP A 88 14.277 -2.791 -5.606 1.00 1.00 O ATOM 1395 CB ASP A 88 16.385 -2.190 -3.249 1.00 0.96 C ATOM 1396 CG ASP A 88 17.372 -1.161 -3.774 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.575 -1.099 -5.001 1.00 1.42 O ATOM 1398 OD2 ASP A 88 17.955 -0.416 -2.965 1.00 1.53 O ATOM 0 H ASP A 88 14.469 -3.626 -2.564 1.00 0.67 H new ATOM 0 HA ASP A 88 14.753 -0.820 -3.096 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.533 -2.312 -2.176 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.594 -3.155 -3.711 1.00 0.96 H new ATOM 1403 N ASN A 89 14.680 -0.594 -5.607 1.00 1.00 N ATOM 1404 CA ASN A 89 14.321 -0.444 -7.017 1.00 1.17 C ATOM 1405 C ASN A 89 15.338 -1.137 -7.923 1.00 1.27 C ATOM 1406 O ASN A 89 15.020 -1.520 -9.047 1.00 1.46 O ATOM 1407 CB ASN A 89 14.214 1.034 -7.393 1.00 1.30 C ATOM 1408 CG ASN A 89 13.027 1.322 -8.295 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.963 0.715 -8.161 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.198 2.256 -9.218 1.00 1.75 N ATOM 0 H ASN A 89 14.954 0.272 -5.142 1.00 1.00 H new ATOM 0 HA ASN A 89 13.350 -0.918 -7.162 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.129 1.631 -6.485 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.131 1.345 -7.894 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.433 2.495 -9.849 1.00 1.75 H new ATOM 0 HD22 ASN A 89 14.094 2.736 -9.298 1.00 1.75 H new ATOM 1417 N GLU A 90 16.546 -1.331 -7.414 1.00 1.29 N ATOM 1418 CA GLU A 90 17.600 -1.989 -8.171 1.00 1.46 C ATOM 1419 C GLU A 90 17.762 -3.440 -7.735 1.00 1.44 C ATOM 1420 O GLU A 90 17.753 -4.350 -8.564 1.00 1.57 O ATOM 1421 CB GLU A 90 18.918 -1.247 -7.989 1.00 1.60 C ATOM 1422 CG GLU A 90 19.945 -1.569 -9.058 1.00 1.82 C ATOM 1423 CD GLU A 90 20.655 -0.335 -9.556 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.106 0.355 -10.437 1.00 2.26 O ATOM 1425 OE2 GLU A 90 21.759 -0.038 -9.055 1.00 2.17 O ATOM 0 H GLU A 90 16.821 -1.040 -6.476 1.00 1.29 H new ATOM 0 HA GLU A 90 17.319 -1.974 -9.224 1.00 1.46 H new ATOM 0 HB2 GLU A 90 18.726 -0.174 -7.992 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.333 -1.493 -7.012 1.00 1.60 H new ATOM 0 HG2 GLU A 90 20.677 -2.270 -8.657 1.00 1.82 H new ATOM 0 HG3 GLU A 90 19.453 -2.065 -9.894 1.00 1.82 H new ATOM 1432 N ILE A 91 17.888 -3.656 -6.436 1.00 1.38 N ATOM 1433 CA ILE A 91 18.045 -5.000 -5.906 1.00 1.45 C ATOM 1434 C ILE A 91 16.684 -5.608 -5.609 1.00 1.48 C ATOM 1435 O ILE A 91 15.824 -4.965 -5.008 1.00 1.79 O ATOM 1436 CB ILE A 91 18.910 -5.029 -4.627 1.00 1.63 C ATOM 1437 CG1 ILE A 91 19.902 -3.861 -4.608 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.652 -6.351 -4.537 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.263 -3.404 -3.211 1.00 2.51 C ATOM 0 H ILE A 91 17.885 -2.919 -5.730 1.00 1.38 H new ATOM 0 HA ILE A 91 18.558 -5.586 -6.669 1.00 1.45 H new ATOM 0 HB ILE A 91 18.253 -4.927 -3.763 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.811 -4.157 -5.132 1.00 2.02 H new ATOM 0 HG13 ILE A 91 19.475 -3.022 -5.158 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.261 -6.366 -3.633 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.933 -7.170 -4.504 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.295 -6.467 -5.409 1.00 1.69 H new ATOM 0 HD11 ILE A 91 20.968 -2.575 -3.270 1.00 2.51 H new ATOM 0 HD12 ILE A 91 19.362 -3.078 -2.691 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.719 -4.230 -2.664 1.00 2.51 H new ATOM 1451 N GLY A 92 16.469 -6.824 -6.080 1.00 1.53 N ATOM 1452 CA GLY A 92 15.182 -7.468 -5.918 1.00 1.75 C ATOM 1453 C GLY A 92 14.987 -8.069 -4.541 1.00 1.30 C ATOM 1454 O GLY A 92 14.534 -9.205 -4.412 1.00 1.27 O ATOM 0 H GLY A 92 17.166 -7.381 -6.575 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.392 -6.740 -6.105 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.078 -8.252 -6.668 1.00 1.75 H new ATOM 1458 N THR A 93 15.282 -7.295 -3.512 1.00 1.16 N ATOM 1459 CA THR A 93 15.080 -7.733 -2.145 1.00 0.92 C ATOM 1460 C THR A 93 13.637 -7.493 -1.716 1.00 0.81 C ATOM 1461 O THR A 93 13.286 -6.409 -1.244 1.00 0.82 O ATOM 1462 CB THR A 93 16.026 -7.005 -1.182 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.039 -6.304 -1.922 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.672 -7.993 -0.229 1.00 1.62 C ATOM 0 H THR A 93 15.665 -6.354 -3.600 1.00 1.16 H new ATOM 0 HA THR A 93 15.298 -8.800 -2.106 1.00 0.92 H new ATOM 0 HB THR A 93 15.447 -6.286 -0.602 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.637 -5.841 -1.299 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.341 -7.461 0.448 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.899 -8.500 0.348 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.241 -8.728 -0.798 1.00 1.62 H new ATOM 1472 N TRP A 94 12.799 -8.495 -1.933 1.00 0.78 N ATOM 1473 CA TRP A 94 11.389 -8.399 -1.609 1.00 0.75 C ATOM 1474 C TRP A 94 11.172 -8.603 -0.117 1.00 0.74 C ATOM 1475 O TRP A 94 11.178 -9.737 0.367 1.00 0.89 O ATOM 1476 CB TRP A 94 10.595 -9.448 -2.388 1.00 0.82 C ATOM 1477 CG TRP A 94 10.290 -9.058 -3.803 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.188 -8.717 -4.774 1.00 0.93 C ATOM 1479 CD2 TRP A 94 8.995 -8.977 -4.409 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.529 -8.427 -5.943 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.182 -8.578 -5.744 1.00 1.19 C ATOM 1482 CE3 TRP A 94 7.694 -9.204 -3.950 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 8.119 -8.400 -6.626 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.638 -9.026 -4.825 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.857 -8.629 -6.149 1.00 1.63 C ATOM 0 H TRP A 94 13.077 -9.390 -2.336 1.00 0.78 H new ATOM 0 HA TRP A 94 11.041 -7.404 -1.887 1.00 0.75 H new ATOM 0 HB2 TRP A 94 11.156 -10.383 -2.393 1.00 0.82 H new ATOM 0 HB3 TRP A 94 9.658 -9.641 -1.866 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.259 -8.681 -4.642 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.971 -8.145 -6.818 1.00 1.13 H new ATOM 0 HE3 TRP A 94 7.517 -9.513 -2.930 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 8.284 -8.093 -7.648 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 5.628 -9.196 -4.481 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.012 -8.501 -6.809 1.00 1.63 H new ATOM 1496 N SER A 95 10.925 -7.518 0.595 1.00 0.65 N ATOM 1497 CA SER A 95 10.605 -7.600 2.008 1.00 0.65 C ATOM 1498 C SER A 95 9.158 -8.049 2.166 1.00 0.63 C ATOM 1499 O SER A 95 8.314 -7.731 1.324 1.00 0.72 O ATOM 1500 CB SER A 95 10.823 -6.246 2.685 1.00 0.68 C ATOM 1501 OG SER A 95 11.759 -5.462 1.964 1.00 0.94 O ATOM 0 H SER A 95 10.940 -6.570 0.218 1.00 0.65 H new ATOM 0 HA SER A 95 11.263 -8.325 2.487 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.875 -5.713 2.755 1.00 0.68 H new ATOM 0 HB3 SER A 95 11.179 -6.398 3.704 1.00 0.68 H new ATOM 0 HG SER A 95 11.299 -4.983 1.243 1.00 0.94 H new ATOM 1507 N ASP A 96 8.884 -8.845 3.188 1.00 0.69 N ATOM 1508 CA ASP A 96 7.536 -9.361 3.393 1.00 0.74 C ATOM 1509 C ASP A 96 6.577 -8.223 3.705 1.00 0.63 C ATOM 1510 O ASP A 96 6.959 -7.237 4.347 1.00 0.53 O ATOM 1511 CB ASP A 96 7.496 -10.394 4.520 1.00 0.94 C ATOM 1512 CG ASP A 96 6.155 -11.101 4.594 1.00 1.28 C ATOM 1513 OD1 ASP A 96 5.568 -11.397 3.533 1.00 1.57 O ATOM 1514 OD2 ASP A 96 5.681 -11.363 5.718 1.00 1.94 O ATOM 0 H ASP A 96 9.568 -9.146 3.883 1.00 0.69 H new ATOM 0 HA ASP A 96 7.228 -9.852 2.470 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.286 -11.129 4.366 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.700 -9.902 5.471 1.00 0.94 H new ATOM 1519 N TRP A 97 5.359 -8.338 3.187 1.00 0.76 N ATOM 1520 CA TRP A 97 4.335 -7.326 3.370 1.00 0.73 C ATOM 1521 C TRP A 97 4.180 -6.973 4.837 1.00 0.60 C ATOM 1522 O TRP A 97 4.058 -7.847 5.695 1.00 0.76 O ATOM 1523 CB TRP A 97 3.025 -7.812 2.784 1.00 0.99 C ATOM 1524 CG TRP A 97 2.834 -7.370 1.372 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.114 -6.303 0.941 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.393 -7.974 0.208 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.168 -6.221 -0.426 1.00 2.24 N ATOM 1528 CE2 TRP A 97 2.943 -7.243 -0.901 1.00 1.53 C ATOM 1529 CE3 TRP A 97 4.220 -9.068 0.001 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.289 -7.579 -2.204 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 4.572 -9.404 -1.293 1.00 1.38 C ATOM 1532 CH2 TRP A 97 4.101 -8.663 -2.383 1.00 1.26 C ATOM 0 H TRP A 97 5.058 -9.137 2.629 1.00 0.76 H new ATOM 0 HA TRP A 97 4.637 -6.419 2.846 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.992 -8.901 2.829 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.199 -7.443 3.392 1.00 0.99 H new ATOM 0 HD1 TRP A 97 1.577 -5.619 1.582 1.00 2.12 H new ATOM 0 HE1 TRP A 97 1.706 -5.513 -0.996 1.00 2.24 H new ATOM 0 HE3 TRP A 97 4.583 -9.648 0.837 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 2.929 -7.004 -3.045 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 5.220 -10.251 -1.465 1.00 1.38 H new ATOM 0 HH2 TRP A 97 4.385 -8.953 -3.384 1.00 1.26 H new ATOM 1543 N SER A 98 4.408 -5.712 5.123 1.00 0.41 N ATOM 1544 CA SER A 98 4.524 -5.242 6.486 1.00 0.42 C ATOM 1545 C SER A 98 3.205 -4.723 7.032 1.00 0.38 C ATOM 1546 O SER A 98 2.603 -5.331 7.919 1.00 0.46 O ATOM 1547 CB SER A 98 5.592 -4.156 6.550 1.00 0.51 C ATOM 1548 OG SER A 98 6.505 -4.288 5.470 1.00 0.50 O ATOM 0 H SER A 98 4.518 -4.983 4.419 1.00 0.41 H new ATOM 0 HA SER A 98 4.811 -6.086 7.112 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.121 -3.173 6.517 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.128 -4.221 7.497 1.00 0.51 H new ATOM 0 HG SER A 98 7.386 -3.956 5.744 1.00 0.50 H new ATOM 1554 N VAL A 99 2.821 -3.543 6.575 1.00 0.33 N ATOM 1555 CA VAL A 99 1.675 -2.853 7.142 1.00 0.34 C ATOM 1556 C VAL A 99 0.375 -3.282 6.476 1.00 0.32 C ATOM 1557 O VAL A 99 0.097 -2.944 5.327 1.00 0.34 O ATOM 1558 CB VAL A 99 1.847 -1.321 7.058 1.00 0.42 C ATOM 1559 CG1 VAL A 99 2.321 -0.902 5.676 1.00 1.21 C ATOM 1560 CG2 VAL A 99 0.557 -0.601 7.437 1.00 1.32 C ATOM 0 H VAL A 99 3.284 -3.044 5.815 1.00 0.33 H new ATOM 0 HA VAL A 99 1.620 -3.134 8.194 1.00 0.34 H new ATOM 0 HB VAL A 99 2.613 -1.031 7.777 1.00 0.42 H new ATOM 0 HG11 VAL A 99 2.434 0.182 5.643 1.00 1.21 H new ATOM 0 HG12 VAL A 99 3.280 -1.374 5.462 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.589 -1.213 4.931 1.00 1.21 H new ATOM 0 HG21 VAL A 99 0.708 0.476 7.369 1.00 1.32 H new ATOM 0 HG22 VAL A 99 -0.240 -0.900 6.756 1.00 1.32 H new ATOM 0 HG23 VAL A 99 0.280 -0.865 8.458 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.429 -4.002 7.235 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.751 -4.412 6.798 1.00 0.41 C ATOM 1572 C ALA A 100 -2.789 -3.389 7.242 1.00 0.43 C ATOM 1573 O ALA A 100 -3.277 -3.437 8.373 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.082 -5.789 7.347 1.00 0.50 C ATOM 0 H ALA A 100 -0.184 -4.320 8.173 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.764 -4.466 5.709 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.076 -6.085 7.012 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.348 -6.510 6.987 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.060 -5.761 8.436 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.088 -2.441 6.374 1.00 0.36 N ATOM 1581 CA ALA A 101 -4.036 -1.388 6.693 1.00 0.36 C ATOM 1582 C ALA A 101 -5.467 -1.872 6.491 1.00 0.41 C ATOM 1583 O ALA A 101 -5.776 -2.538 5.500 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.755 -0.155 5.846 1.00 0.42 C ATOM 0 H ALA A 101 -2.687 -2.378 5.438 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.919 -1.119 7.743 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.472 0.628 6.094 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.745 0.202 6.046 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.847 -0.410 4.790 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.335 -1.545 7.436 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.739 -1.929 7.356 1.00 0.57 C ATOM 1592 C HIS A 102 -8.567 -0.749 6.872 1.00 0.50 C ATOM 1593 O HIS A 102 -8.688 0.259 7.568 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.241 -2.397 8.723 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.621 -3.846 8.767 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.118 -4.454 9.897 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.568 -4.811 7.817 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.354 -5.725 9.645 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -9.028 -5.973 8.389 1.00 2.00 N ATOM 0 H HIS A 102 -6.092 -1.012 8.271 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.840 -2.752 6.649 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.466 -2.212 9.467 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -9.105 -1.796 9.007 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -8.227 -4.690 6.799 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -9.748 -6.444 10.348 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -9.105 -6.876 7.922 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.010 -0.820 5.630 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.690 0.303 5.010 1.00 0.54 C ATOM 1610 C ALA A 103 -11.144 -0.014 4.693 1.00 0.36 C ATOM 1611 O ALA A 103 -11.529 -1.179 4.585 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.955 0.712 3.749 1.00 0.91 C ATOM 0 H ALA A 103 -8.912 -1.641 5.032 1.00 0.38 H new ATOM 0 HA ALA A 103 -9.687 1.129 5.721 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.468 1.555 3.286 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -7.935 1.002 4.000 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.933 -0.126 3.053 1.00 0.91 H new ATOM 1618 N THR A 104 -11.931 1.039 4.524 1.00 0.41 N ATOM 1619 CA THR A 104 -13.345 0.924 4.196 1.00 0.38 C ATOM 1620 C THR A 104 -13.825 2.218 3.541 1.00 0.41 C ATOM 1621 O THR A 104 -13.921 3.246 4.211 1.00 0.51 O ATOM 1622 CB THR A 104 -14.193 0.657 5.461 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.385 0.801 6.639 1.00 0.73 O ATOM 1624 CG2 THR A 104 -14.797 -0.737 5.430 1.00 0.70 C ATOM 0 H THR A 104 -11.605 2.002 4.611 1.00 0.41 H new ATOM 0 HA THR A 104 -13.466 0.085 3.511 1.00 0.38 H new ATOM 0 HB THR A 104 -15.002 1.387 5.481 1.00 0.50 H new ATOM 0 HG1 THR A 104 -13.932 0.631 7.434 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.388 -0.898 6.332 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.437 -0.837 4.554 1.00 0.70 H new ATOM 0 HG23 THR A 104 -13.999 -1.478 5.382 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.986 2.226 2.203 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.352 3.435 1.464 1.00 0.38 C ATOM 1634 C PRO A 105 -15.571 4.146 2.052 1.00 0.40 C ATOM 1635 O PRO A 105 -16.342 3.557 2.815 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.672 2.938 0.058 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.016 1.609 -0.083 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.690 1.098 1.304 1.00 0.40 C ATOM 0 HA PRO A 105 -13.545 4.167 1.498 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.749 2.856 -0.088 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.301 3.635 -0.693 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.675 0.912 -0.601 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.109 1.694 -0.681 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.292 0.225 1.555 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.645 0.797 1.379 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.705 5.419 1.701 1.00 0.35 N ATOM 1647 CA TRP A 106 -16.778 6.283 2.190 1.00 0.41 C ATOM 1648 C TRP A 106 -18.142 5.581 2.185 1.00 0.48 C ATOM 1649 O TRP A 106 -18.643 5.173 1.137 1.00 0.65 O ATOM 1650 CB TRP A 106 -16.818 7.535 1.318 1.00 0.51 C ATOM 1651 CG TRP A 106 -17.556 8.677 1.932 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -17.143 9.471 2.962 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -18.843 9.152 1.547 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -18.105 10.411 3.240 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -19.158 10.233 2.384 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.760 8.761 0.573 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -20.356 10.929 2.278 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.949 9.447 0.471 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.237 10.521 1.319 1.00 1.07 C ATOM 0 H TRP A 106 -15.065 5.888 1.061 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.571 6.544 3.228 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -15.796 7.849 1.103 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.282 7.286 0.364 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -16.201 9.375 3.481 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -18.045 11.125 3.966 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.542 7.936 -0.089 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -20.581 11.761 2.929 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.671 9.151 -0.276 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.178 11.040 1.213 1.00 1.07 H new ATOM 1670 N THR A 107 -18.707 5.385 3.370 1.00 0.60 N ATOM 1671 CA THR A 107 -19.963 4.657 3.506 1.00 0.75 C ATOM 1672 C THR A 107 -21.008 5.456 4.270 1.00 0.82 C ATOM 1673 O THR A 107 -21.583 4.974 5.246 1.00 0.89 O ATOM 1674 CB THR A 107 -19.752 3.317 4.224 1.00 0.96 C ATOM 1675 OG1 THR A 107 -18.356 3.123 4.513 1.00 1.19 O ATOM 1676 CG2 THR A 107 -20.283 2.169 3.382 1.00 1.19 C ATOM 0 H THR A 107 -18.316 5.720 4.250 1.00 0.60 H new ATOM 0 HA THR A 107 -20.324 4.482 2.492 1.00 0.75 H new ATOM 0 HB THR A 107 -20.305 3.337 5.163 1.00 0.96 H new ATOM 0 HG1 THR A 107 -17.851 3.084 3.674 1.00 1.19 H new ATOM 0 HG21 THR A 107 -20.124 1.228 3.908 1.00 1.19 H new ATOM 0 HG22 THR A 107 -21.349 2.310 3.205 1.00 1.19 H new ATOM 0 HG23 THR A 107 -19.757 2.144 2.428 1.00 1.19 H new