USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 730 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 37 MET CE :methyl -126:sc= -3.14 (180deg=-6.49!) USER MOD Set 1.2: A 64 HIS : no HE2:sc= 0.605 K(o=-2.5,f=-5.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -119:sc= 1.22 USER MOD Single : A 22 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.7!) USER MOD Single : A 28 TYR OH : rot 159:sc= 0.704 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -163:sc= -0.109 (180deg=-0.623) USER MOD Single : A 32 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.2) USER MOD Single : A 33 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.51) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.3!) USER MOD Single : A 42 THR OG1 : rot 116:sc= 0.766 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -2.37! (180deg=-3.97!) USER MOD Single : A 55 SER OG : rot 19:sc= 1.21 USER MOD Single : A 56 HIS : no HD1:sc= -0.901 K(o=-0.9,f=0) USER MOD Single : A 58 CYS SG : rot -70:sc= -0.816 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 88:sc= 1.24 USER MOD Single : A 68 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 14:sc= -0.11 USER MOD Single : A 75 SER OG : rot 91:sc= 1.14 USER MOD Single : A 76 CYS SG : rot 39:sc= -5.7! USER MOD Single : A 77 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 78 TYR OH : rot -80:sc= 0.268 USER MOD Single : A 80 SER OG : rot -60:sc= -3.49! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.02! C(o=-2!,f=-2.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.0247 (180deg=-0.202) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 10.989 0.418 -9.098 1.00 0.66 N ATOM 74 CA PRO A 6 11.687 -0.175 -7.964 1.00 0.47 C ATOM 75 C PRO A 6 11.569 -1.696 -7.996 1.00 0.48 C ATOM 76 O PRO A 6 11.090 -2.265 -8.983 1.00 0.62 O ATOM 77 CB PRO A 6 10.948 0.405 -6.742 1.00 0.59 C ATOM 78 CG PRO A 6 10.012 1.431 -7.288 1.00 0.87 C ATOM 79 CD PRO A 6 9.708 0.982 -8.679 1.00 0.84 C ATOM 0 HA PRO A 6 12.754 0.045 -7.958 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.406 -0.374 -6.206 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.648 0.850 -6.035 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.104 1.495 -6.688 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.467 2.421 -7.284 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.908 0.242 -8.704 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.397 1.809 -9.317 1.00 0.84 H new ATOM 87 N LYS A 7 11.986 -2.360 -6.932 1.00 0.45 N ATOM 88 CA LYS A 7 11.862 -3.799 -6.865 1.00 0.52 C ATOM 89 C LYS A 7 11.115 -4.179 -5.606 1.00 0.42 C ATOM 90 O LYS A 7 11.714 -4.445 -4.567 1.00 0.42 O ATOM 91 CB LYS A 7 13.233 -4.484 -6.898 1.00 0.65 C ATOM 92 CG LYS A 7 13.174 -5.992 -7.125 1.00 1.24 C ATOM 93 CD LYS A 7 12.802 -6.335 -8.562 1.00 1.37 C ATOM 94 CE LYS A 7 11.346 -6.017 -8.871 1.00 1.70 C ATOM 95 NZ LYS A 7 11.055 -6.114 -10.325 1.00 2.49 N ATOM 0 H LYS A 7 12.409 -1.927 -6.111 1.00 0.45 H new ATOM 0 HA LYS A 7 11.306 -4.139 -7.739 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.833 -4.032 -7.688 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.747 -4.290 -5.956 1.00 0.65 H new ATOM 0 HG2 LYS A 7 14.141 -6.434 -6.885 1.00 1.24 H new ATOM 0 HG3 LYS A 7 12.445 -6.433 -6.446 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.446 -5.780 -9.244 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.986 -7.394 -8.740 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.700 -6.705 -8.325 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.111 -5.012 -8.520 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.054 -5.890 -10.494 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.653 -5.440 -10.844 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 11.255 -7.080 -10.655 1.00 2.49 H new ATOM 109 N ILE A 8 9.803 -4.186 -5.698 1.00 0.41 N ATOM 110 CA ILE A 8 8.987 -4.463 -4.541 1.00 0.34 C ATOM 111 C ILE A 8 8.654 -5.948 -4.494 1.00 0.36 C ATOM 112 O ILE A 8 7.889 -6.451 -5.319 1.00 0.48 O ATOM 113 CB ILE A 8 7.683 -3.639 -4.539 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.945 -2.192 -4.984 1.00 0.72 C ATOM 115 CG2 ILE A 8 7.081 -3.654 -3.143 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.831 -1.409 -4.045 1.00 0.39 C ATOM 0 H ILE A 8 9.283 -4.004 -6.557 1.00 0.41 H new ATOM 0 HA ILE A 8 9.559 -4.177 -3.658 1.00 0.34 H new ATOM 0 HB ILE A 8 6.985 -4.087 -5.246 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.403 -2.205 -5.973 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.991 -1.675 -5.082 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.159 -3.072 -3.138 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.863 -4.682 -2.852 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.788 -3.219 -2.437 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.967 -0.399 -4.431 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.366 -1.362 -3.060 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.801 -1.900 -3.965 1.00 0.39 H new ATOM 128 N VAL A 9 9.237 -6.641 -3.535 1.00 0.31 N ATOM 129 CA VAL A 9 9.121 -8.086 -3.449 1.00 0.36 C ATOM 130 C VAL A 9 7.989 -8.482 -2.525 1.00 0.34 C ATOM 131 O VAL A 9 7.944 -8.070 -1.365 1.00 0.47 O ATOM 132 CB VAL A 9 10.427 -8.720 -2.938 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.358 -10.240 -2.995 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.602 -8.205 -3.741 1.00 0.86 C ATOM 0 H VAL A 9 9.802 -6.222 -2.796 1.00 0.31 H new ATOM 0 HA VAL A 9 8.915 -8.452 -4.455 1.00 0.36 H new ATOM 0 HB VAL A 9 10.563 -8.435 -1.895 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.294 -10.661 -2.628 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.534 -10.590 -2.373 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.196 -10.559 -4.025 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.522 -8.659 -3.372 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.466 -8.463 -4.791 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.666 -7.122 -3.639 1.00 0.86 H new ATOM 144 N TRP A 10 7.072 -9.270 -3.040 1.00 0.33 N ATOM 145 CA TRP A 10 5.973 -9.753 -2.240 1.00 0.31 C ATOM 146 C TRP A 10 6.436 -10.861 -1.308 1.00 0.34 C ATOM 147 O TRP A 10 6.834 -11.944 -1.748 1.00 0.42 O ATOM 148 CB TRP A 10 4.838 -10.247 -3.130 1.00 0.38 C ATOM 149 CG TRP A 10 3.665 -10.763 -2.350 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.240 -10.319 -1.131 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.763 -11.808 -2.730 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.144 -11.024 -0.722 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.823 -11.943 -1.690 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.656 -12.640 -3.847 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.793 -12.879 -1.733 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.632 -13.567 -3.890 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.711 -13.678 -2.841 1.00 0.72 C ATOM 0 H TRP A 10 7.067 -9.589 -4.009 1.00 0.33 H new ATOM 0 HA TRP A 10 5.602 -8.926 -1.635 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.509 -9.433 -3.775 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.211 -11.038 -3.780 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.705 -9.522 -0.569 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.646 -10.890 0.158 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.360 -12.560 -4.662 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.085 -12.971 -0.922 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.540 -14.217 -4.748 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.081 -14.410 -2.908 1.00 0.72 H new ATOM 168 N ASN A 11 6.395 -10.579 -0.021 1.00 0.34 N ATOM 169 CA ASN A 11 6.696 -11.571 0.983 1.00 0.43 C ATOM 170 C ASN A 11 5.390 -12.181 1.468 1.00 0.45 C ATOM 171 O ASN A 11 4.751 -11.670 2.388 1.00 0.46 O ATOM 172 CB ASN A 11 7.475 -10.957 2.145 1.00 0.47 C ATOM 173 CG ASN A 11 8.109 -12.019 3.022 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.543 -13.091 3.233 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.303 -11.742 3.514 1.00 1.08 N ATOM 0 H ASN A 11 6.153 -9.661 0.353 1.00 0.34 H new ATOM 0 HA ASN A 11 7.325 -12.348 0.550 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.250 -10.298 1.755 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.806 -10.341 2.746 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.788 -12.429 4.091 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.740 -10.842 3.317 1.00 1.08 H new ATOM 182 N GLU A 12 4.989 -13.258 0.812 1.00 0.53 N ATOM 183 CA GLU A 12 3.699 -13.890 1.062 1.00 0.59 C ATOM 184 C GLU A 12 3.587 -14.435 2.484 1.00 0.62 C ATOM 185 O GLU A 12 2.497 -14.458 3.055 1.00 0.65 O ATOM 186 CB GLU A 12 3.467 -15.005 0.042 1.00 0.76 C ATOM 187 CG GLU A 12 4.608 -16.003 -0.036 1.00 1.09 C ATOM 188 CD GLU A 12 4.427 -17.003 -1.155 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.706 -17.998 -0.957 1.00 1.71 O ATOM 190 OE2 GLU A 12 5.018 -16.807 -2.236 1.00 1.92 O ATOM 0 H GLU A 12 5.545 -13.720 0.092 1.00 0.53 H new ATOM 0 HA GLU A 12 2.928 -13.127 0.954 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.549 -15.534 0.297 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.316 -14.561 -0.942 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.546 -15.467 -0.180 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.687 -16.534 0.912 1.00 1.09 H new ATOM 197 N GLY A 13 4.714 -14.839 3.064 1.00 0.65 N ATOM 198 CA GLY A 13 4.694 -15.420 4.397 1.00 0.73 C ATOM 199 C GLY A 13 4.482 -14.372 5.468 1.00 0.70 C ATOM 200 O GLY A 13 4.097 -14.676 6.595 1.00 0.80 O ATOM 0 H GLY A 13 5.638 -14.775 2.637 1.00 0.65 H new ATOM 0 HA2 GLY A 13 3.900 -16.165 4.456 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.634 -15.941 4.580 1.00 0.73 H new ATOM 204 N LYS A 14 4.742 -13.128 5.109 1.00 0.59 N ATOM 205 CA LYS A 14 4.562 -12.013 6.022 1.00 0.59 C ATOM 206 C LYS A 14 3.341 -11.206 5.621 1.00 0.51 C ATOM 207 O LYS A 14 2.943 -10.280 6.327 1.00 0.55 O ATOM 208 CB LYS A 14 5.799 -11.108 6.023 1.00 0.61 C ATOM 209 CG LYS A 14 6.985 -11.629 6.824 1.00 0.86 C ATOM 210 CD LYS A 14 7.457 -12.989 6.338 1.00 1.21 C ATOM 211 CE LYS A 14 8.754 -13.407 7.001 1.00 1.26 C ATOM 212 NZ LYS A 14 9.167 -14.776 6.591 1.00 1.79 N ATOM 0 H LYS A 14 5.081 -12.863 4.184 1.00 0.59 H new ATOM 0 HA LYS A 14 4.420 -12.412 7.026 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.117 -10.954 4.992 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.515 -10.133 6.418 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.807 -10.916 6.757 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.708 -11.698 7.876 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.688 -13.734 6.542 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.594 -12.961 5.257 1.00 1.21 H new ATOM 0 HE2 LYS A 14 9.540 -12.697 6.742 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.637 -13.372 8.084 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.058 -15.026 7.065 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.428 -15.457 6.860 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 9.304 -14.803 5.560 1.00 1.79 H new ATOM 226 N ARG A 15 2.756 -11.577 4.480 1.00 0.45 N ATOM 227 CA ARG A 15 1.643 -10.837 3.895 1.00 0.44 C ATOM 228 C ARG A 15 2.046 -9.384 3.692 1.00 0.37 C ATOM 229 O ARG A 15 1.392 -8.471 4.193 1.00 0.52 O ATOM 230 CB ARG A 15 0.397 -10.917 4.785 1.00 0.56 C ATOM 231 CG ARG A 15 -0.188 -12.313 4.917 1.00 0.66 C ATOM 232 CD ARG A 15 -0.645 -12.857 3.574 1.00 0.87 C ATOM 233 NE ARG A 15 -1.565 -13.986 3.722 1.00 1.83 N ATOM 234 CZ ARG A 15 -1.276 -15.247 3.396 1.00 2.36 C ATOM 235 NH1 ARG A 15 -0.055 -15.582 2.998 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.211 -16.184 3.496 1.00 3.42 N ATOM 0 H ARG A 15 3.041 -12.395 3.941 1.00 0.45 H new ATOM 0 HA ARG A 15 1.399 -11.286 2.932 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.650 -10.546 5.778 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.367 -10.252 4.381 1.00 0.56 H new ATOM 0 HG2 ARG A 15 0.558 -12.982 5.346 1.00 0.66 H new ATOM 0 HG3 ARG A 15 -1.031 -12.291 5.607 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.134 -12.063 3.009 1.00 0.87 H new ATOM 0 HD3 ARG A 15 0.224 -13.171 2.996 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.492 -13.795 4.101 1.00 1.83 H new ATOM 0 HH11 ARG A 15 0.675 -14.872 2.939 1.00 2.32 H new ATOM 0 HH12 ARG A 15 0.154 -16.550 2.751 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -3.146 -15.939 3.821 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -1.994 -17.149 3.248 1.00 3.42 H new ATOM 250 N ARG A 16 3.138 -9.169 2.969 1.00 0.27 N ATOM 251 CA ARG A 16 3.664 -7.825 2.801 1.00 0.24 C ATOM 252 C ARG A 16 4.452 -7.671 1.505 1.00 0.23 C ATOM 253 O ARG A 16 4.843 -8.653 0.885 1.00 0.29 O ATOM 254 CB ARG A 16 4.561 -7.486 3.987 1.00 0.33 C ATOM 255 CG ARG A 16 5.864 -8.242 4.009 1.00 0.55 C ATOM 256 CD ARG A 16 6.757 -7.752 5.129 1.00 0.68 C ATOM 257 NE ARG A 16 6.041 -7.591 6.394 1.00 0.91 N ATOM 258 CZ ARG A 16 6.566 -7.892 7.583 1.00 1.02 C ATOM 259 NH1 ARG A 16 7.785 -8.409 7.655 1.00 1.02 N ATOM 260 NH2 ARG A 16 5.876 -7.680 8.696 1.00 1.86 N ATOM 0 H ARG A 16 3.669 -9.900 2.496 1.00 0.27 H new ATOM 0 HA ARG A 16 2.818 -7.140 2.752 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.774 -6.417 3.974 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.018 -7.692 4.910 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.669 -9.307 4.134 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.374 -8.122 3.053 1.00 0.55 H new ATOM 0 HD2 ARG A 16 7.578 -8.456 5.268 1.00 0.68 H new ATOM 0 HD3 ARG A 16 7.200 -6.798 4.843 1.00 0.68 H new ATOM 0 HE ARG A 16 5.088 -7.229 6.366 1.00 0.91 H new ATOM 0 HH11 ARG A 16 8.319 -8.576 6.802 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.188 -8.640 8.563 1.00 1.02 H new ATOM 0 HH21 ARG A 16 4.937 -7.284 8.646 1.00 1.86 H new ATOM 0 HH22 ARG A 16 6.284 -7.913 9.601 1.00 1.86 H new ATOM 274 N PHE A 17 4.685 -6.427 1.116 1.00 0.23 N ATOM 275 CA PHE A 17 5.539 -6.111 -0.020 1.00 0.24 C ATOM 276 C PHE A 17 6.768 -5.375 0.485 1.00 0.30 C ATOM 277 O PHE A 17 6.649 -4.344 1.141 1.00 0.55 O ATOM 278 CB PHE A 17 4.812 -5.240 -1.053 1.00 0.28 C ATOM 279 CG PHE A 17 3.510 -5.805 -1.539 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.487 -6.913 -2.370 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.308 -5.230 -1.162 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.288 -7.435 -2.818 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.108 -5.747 -1.606 1.00 0.40 C ATOM 284 CZ PHE A 17 1.096 -6.852 -2.434 1.00 0.41 C ATOM 0 H PHE A 17 4.288 -5.609 1.578 1.00 0.23 H new ATOM 0 HA PHE A 17 5.819 -7.043 -0.511 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.627 -4.259 -0.616 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.470 -5.089 -1.909 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.416 -7.374 -2.671 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.310 -4.367 -0.513 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.283 -8.298 -3.468 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.178 -5.287 -1.306 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.158 -7.259 -2.780 1.00 0.41 H new ATOM 294 N GLU A 18 7.937 -5.904 0.193 1.00 0.22 N ATOM 295 CA GLU A 18 9.175 -5.337 0.695 1.00 0.25 C ATOM 296 C GLU A 18 10.020 -4.832 -0.457 1.00 0.29 C ATOM 297 O GLU A 18 10.323 -5.575 -1.385 1.00 0.39 O ATOM 298 CB GLU A 18 9.922 -6.397 1.502 1.00 0.34 C ATOM 299 CG GLU A 18 10.847 -5.835 2.564 1.00 1.08 C ATOM 300 CD GLU A 18 11.253 -6.885 3.576 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.257 -7.588 3.344 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.573 -7.009 4.617 1.00 1.16 O ATOM 0 H GLU A 18 8.058 -6.730 -0.392 1.00 0.22 H new ATOM 0 HA GLU A 18 8.957 -4.490 1.346 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.194 -7.052 1.980 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.505 -7.014 0.818 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.738 -5.426 2.089 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.352 -5.010 3.076 1.00 1.08 H new ATOM 309 N THR A 19 10.385 -3.563 -0.395 1.00 0.25 N ATOM 310 CA THR A 19 11.106 -2.919 -1.479 1.00 0.29 C ATOM 311 C THR A 19 12.508 -3.526 -1.637 1.00 0.35 C ATOM 312 O THR A 19 12.930 -4.348 -0.819 1.00 0.37 O ATOM 313 CB THR A 19 11.185 -1.394 -1.233 1.00 0.33 C ATOM 314 OG1 THR A 19 11.392 -0.695 -2.464 1.00 0.46 O ATOM 315 CG2 THR A 19 12.295 -1.041 -0.256 1.00 0.37 C ATOM 0 H THR A 19 10.192 -2.955 0.401 1.00 0.25 H new ATOM 0 HA THR A 19 10.564 -3.090 -2.409 1.00 0.29 H new ATOM 0 HB THR A 19 10.234 -1.088 -0.798 1.00 0.33 H new ATOM 0 HG1 THR A 19 12.241 -0.207 -2.424 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.320 0.039 -0.108 1.00 0.37 H new ATOM 0 HG22 THR A 19 12.110 -1.534 0.698 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.252 -1.374 -0.657 1.00 0.37 H new ATOM 323 N GLU A 20 13.226 -3.092 -2.672 1.00 0.43 N ATOM 324 CA GLU A 20 14.552 -3.628 -3.012 1.00 0.53 C ATOM 325 C GLU A 20 15.542 -3.455 -1.873 1.00 0.56 C ATOM 326 O GLU A 20 16.635 -4.023 -1.880 1.00 0.68 O ATOM 327 CB GLU A 20 15.100 -2.921 -4.254 1.00 0.62 C ATOM 328 CG GLU A 20 15.401 -1.442 -4.054 1.00 0.77 C ATOM 329 CD GLU A 20 14.150 -0.595 -4.049 1.00 1.31 C ATOM 330 OE1 GLU A 20 13.522 -0.456 -5.118 1.00 1.83 O ATOM 331 OE2 GLU A 20 13.807 -0.048 -2.983 1.00 1.90 O ATOM 0 H GLU A 20 12.907 -2.357 -3.303 1.00 0.43 H new ATOM 0 HA GLU A 20 14.430 -4.694 -3.204 1.00 0.53 H new ATOM 0 HB2 GLU A 20 16.013 -3.425 -4.571 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.379 -3.026 -5.065 1.00 0.62 H new ATOM 0 HG2 GLU A 20 15.932 -1.306 -3.112 1.00 0.77 H new ATOM 0 HG3 GLU A 20 16.066 -1.099 -4.847 1.00 0.77 H new ATOM 338 N ASP A 21 15.136 -2.680 -0.902 1.00 0.52 N ATOM 339 CA ASP A 21 16.007 -2.267 0.171 1.00 0.60 C ATOM 340 C ASP A 21 15.636 -2.995 1.452 1.00 0.54 C ATOM 341 O ASP A 21 16.433 -3.087 2.383 1.00 0.59 O ATOM 342 CB ASP A 21 15.921 -0.746 0.286 1.00 0.67 C ATOM 343 CG ASP A 21 15.558 -0.241 1.663 1.00 0.97 C ATOM 344 OD1 ASP A 21 14.387 -0.372 2.058 1.00 1.31 O ATOM 345 OD2 ASP A 21 16.470 0.238 2.368 1.00 1.39 O ATOM 0 H ASP A 21 14.186 -2.314 -0.831 1.00 0.52 H new ATOM 0 HA ASP A 21 17.045 -2.531 -0.029 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.881 -0.318 -0.003 1.00 0.67 H new ATOM 0 HB3 ASP A 21 15.182 -0.382 -0.427 1.00 0.67 H new ATOM 350 N HIS A 22 14.423 -3.555 1.456 1.00 0.45 N ATOM 351 CA HIS A 22 13.935 -4.412 2.537 1.00 0.45 C ATOM 352 C HIS A 22 13.749 -3.657 3.850 1.00 0.44 C ATOM 353 O HIS A 22 13.346 -4.242 4.855 1.00 0.51 O ATOM 354 CB HIS A 22 14.862 -5.617 2.739 1.00 0.57 C ATOM 355 CG HIS A 22 14.898 -6.551 1.569 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.084 -7.654 1.463 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.665 -6.545 0.451 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.344 -8.290 0.336 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.299 -7.636 -0.297 1.00 0.82 N ATOM 0 H HIS A 22 13.748 -3.425 0.703 1.00 0.45 H new ATOM 0 HA HIS A 22 12.951 -4.767 2.231 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.872 -5.258 2.937 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.540 -6.168 3.623 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.386 -7.938 2.150 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.422 -5.818 0.197 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.858 -9.191 -0.009 1.00 0.76 H new ATOM 368 N GLU A 23 14.029 -2.367 3.844 1.00 0.47 N ATOM 369 CA GLU A 23 13.804 -1.538 5.011 1.00 0.52 C ATOM 370 C GLU A 23 12.463 -0.838 4.854 1.00 0.40 C ATOM 371 O GLU A 23 11.781 -0.531 5.833 1.00 0.49 O ATOM 372 CB GLU A 23 14.934 -0.521 5.163 1.00 0.69 C ATOM 373 CG GLU A 23 16.319 -1.149 5.189 1.00 0.84 C ATOM 374 CD GLU A 23 16.498 -2.113 6.343 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.497 -1.661 7.509 1.00 1.72 O ATOM 376 OE2 GLU A 23 16.649 -3.329 6.099 1.00 2.28 O ATOM 0 H GLU A 23 14.414 -1.870 3.041 1.00 0.47 H new ATOM 0 HA GLU A 23 13.789 -2.154 5.910 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.883 0.192 4.340 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.783 0.043 6.083 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.493 -1.675 4.250 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.070 -0.362 5.258 1.00 0.84 H new ATOM 383 N ALA A 24 12.104 -0.587 3.602 1.00 0.29 N ATOM 384 CA ALA A 24 10.778 -0.103 3.266 1.00 0.22 C ATOM 385 C ALA A 24 9.880 -1.270 2.901 1.00 0.17 C ATOM 386 O ALA A 24 10.236 -2.098 2.057 1.00 0.19 O ATOM 387 CB ALA A 24 10.836 0.889 2.118 1.00 0.26 C ATOM 0 H ALA A 24 12.720 -0.713 2.799 1.00 0.29 H new ATOM 0 HA ALA A 24 10.368 0.409 4.137 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.829 1.236 1.886 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.456 1.739 2.402 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.264 0.405 1.240 1.00 0.26 H new ATOM 393 N PHE A 25 8.725 -1.339 3.532 1.00 0.14 N ATOM 394 CA PHE A 25 7.793 -2.420 3.282 1.00 0.15 C ATOM 395 C PHE A 25 6.372 -1.999 3.597 1.00 0.15 C ATOM 396 O PHE A 25 6.139 -1.073 4.380 1.00 0.17 O ATOM 397 CB PHE A 25 8.157 -3.666 4.097 1.00 0.23 C ATOM 398 CG PHE A 25 8.291 -3.429 5.577 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.503 -3.035 6.124 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.203 -3.590 6.419 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.626 -2.809 7.480 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.319 -3.365 7.777 1.00 0.49 C ATOM 403 CZ PHE A 25 8.543 -3.009 8.314 1.00 0.52 C ATOM 0 H PHE A 25 8.409 -0.658 4.223 1.00 0.14 H new ATOM 0 HA PHE A 25 7.859 -2.665 2.222 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.395 -4.428 3.932 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.097 -4.069 3.720 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.361 -2.903 5.481 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.252 -3.895 6.009 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.568 -2.476 7.889 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.456 -3.467 8.418 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.652 -2.888 9.382 1.00 0.52 H new ATOM 413 N ILE A 26 5.434 -2.673 2.965 1.00 0.20 N ATOM 414 CA ILE A 26 4.030 -2.481 3.235 1.00 0.23 C ATOM 415 C ILE A 26 3.438 -3.798 3.703 1.00 0.23 C ATOM 416 O ILE A 26 3.673 -4.838 3.089 1.00 0.26 O ATOM 417 CB ILE A 26 3.287 -1.936 1.983 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.588 -0.632 2.335 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.276 -2.936 1.419 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.327 -0.831 3.131 1.00 0.73 C ATOM 0 H ILE A 26 5.628 -3.371 2.247 1.00 0.20 H new ATOM 0 HA ILE A 26 3.909 -1.735 4.020 1.00 0.23 H new ATOM 0 HB ILE A 26 4.033 -1.765 1.207 1.00 0.31 H new ATOM 0 HG12 ILE A 26 3.273 -0.002 2.903 1.00 0.41 H new ATOM 0 HG13 ILE A 26 2.349 -0.096 1.416 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.786 -2.505 0.546 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.792 -3.851 1.130 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.529 -3.165 2.179 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.878 0.138 3.349 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.625 -1.435 2.556 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.563 -1.340 4.065 1.00 0.73 H new ATOM 432 N GLU A 27 2.722 -3.769 4.807 1.00 0.22 N ATOM 433 CA GLU A 27 2.127 -4.977 5.346 1.00 0.23 C ATOM 434 C GLU A 27 0.630 -4.968 5.066 1.00 0.22 C ATOM 435 O GLU A 27 0.052 -3.915 4.798 1.00 0.27 O ATOM 436 CB GLU A 27 2.413 -5.058 6.850 1.00 0.26 C ATOM 437 CG GLU A 27 2.001 -6.367 7.498 1.00 0.65 C ATOM 438 CD GLU A 27 2.333 -6.399 8.975 1.00 1.14 C ATOM 439 OE1 GLU A 27 3.510 -6.624 9.324 1.00 1.23 O ATOM 440 OE2 GLU A 27 1.408 -6.211 9.797 1.00 1.65 O ATOM 0 H GLU A 27 2.537 -2.925 5.349 1.00 0.22 H new ATOM 0 HA GLU A 27 2.559 -5.857 4.870 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.480 -4.906 7.013 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.895 -4.240 7.350 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.930 -6.516 7.364 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.503 -7.194 6.996 1.00 0.65 H new ATOM 447 N TYR A 28 0.006 -6.133 5.084 1.00 0.23 N ATOM 448 CA TYR A 28 -1.433 -6.212 4.917 1.00 0.22 C ATOM 449 C TYR A 28 -1.967 -7.516 5.488 1.00 0.28 C ATOM 450 O TYR A 28 -1.203 -8.384 5.914 1.00 0.45 O ATOM 451 CB TYR A 28 -1.829 -6.086 3.432 1.00 0.29 C ATOM 452 CG TYR A 28 -1.456 -7.285 2.580 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.285 -8.399 2.502 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.274 -7.293 1.845 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.946 -9.481 1.713 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.069 -8.371 1.059 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.779 -9.500 1.044 1.00 0.60 C ATOM 458 OH TYR A 28 -0.430 -10.527 0.197 1.00 0.70 O ATOM 0 H TYR A 28 0.471 -7.032 5.212 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.876 -5.379 5.462 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.906 -5.931 3.368 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.354 -5.198 3.016 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.206 -8.418 3.066 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.386 -6.439 1.892 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.623 -10.318 1.633 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.971 -8.353 0.465 1.00 0.50 H new ATOM 0 HH TYR A 28 0.260 -10.217 -0.426 1.00 0.70 H new ATOM 468 N LYS A 29 -3.282 -7.633 5.517 1.00 0.24 N ATOM 469 CA LYS A 29 -3.943 -8.867 5.904 1.00 0.32 C ATOM 470 C LYS A 29 -5.313 -8.936 5.253 1.00 0.25 C ATOM 471 O LYS A 29 -6.085 -7.978 5.306 1.00 0.31 O ATOM 472 CB LYS A 29 -4.054 -9.005 7.434 1.00 0.49 C ATOM 473 CG LYS A 29 -4.692 -7.820 8.156 1.00 0.58 C ATOM 474 CD LYS A 29 -3.734 -6.642 8.297 1.00 0.74 C ATOM 475 CE LYS A 29 -2.444 -7.025 9.014 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.677 -7.409 10.430 1.00 1.52 N ATOM 0 H LYS A 29 -3.922 -6.877 5.273 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.336 -9.702 5.555 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.633 -9.900 7.660 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.055 -9.161 7.841 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.579 -7.500 7.610 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.023 -8.136 9.145 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.495 -6.251 7.308 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.227 -5.840 8.846 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.972 -7.855 8.488 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.748 -6.187 8.977 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.771 -7.661 10.875 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -3.103 -6.610 10.941 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -3.320 -8.226 10.467 1.00 1.52 H new ATOM 490 N MET A 30 -5.600 -10.054 4.608 1.00 0.32 N ATOM 491 CA MET A 30 -6.868 -10.225 3.928 1.00 0.27 C ATOM 492 C MET A 30 -7.933 -10.651 4.929 1.00 0.30 C ATOM 493 O MET A 30 -7.909 -11.761 5.463 1.00 0.39 O ATOM 494 CB MET A 30 -6.739 -11.245 2.795 1.00 0.36 C ATOM 495 CG MET A 30 -5.658 -10.888 1.789 1.00 1.00 C ATOM 496 SD MET A 30 -5.579 -12.040 0.402 1.00 1.12 S ATOM 497 CE MET A 30 -5.286 -13.590 1.253 1.00 1.85 C ATOM 0 H MET A 30 -4.971 -10.855 4.542 1.00 0.32 H new ATOM 0 HA MET A 30 -7.166 -9.275 3.485 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.522 -12.225 3.220 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.695 -11.327 2.278 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.840 -9.883 1.409 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.692 -10.868 2.293 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.918 -14.331 0.543 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.545 -13.440 2.038 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.217 -13.943 1.696 1.00 1.85 H new ATOM 507 N ARG A 31 -8.852 -9.742 5.179 1.00 0.29 N ATOM 508 CA ARG A 31 -9.895 -9.921 6.167 1.00 0.39 C ATOM 509 C ARG A 31 -11.139 -10.495 5.522 1.00 0.42 C ATOM 510 O ARG A 31 -11.257 -10.510 4.291 1.00 0.38 O ATOM 511 CB ARG A 31 -10.222 -8.574 6.806 1.00 0.46 C ATOM 512 CG ARG A 31 -9.139 -8.064 7.743 1.00 0.67 C ATOM 513 CD ARG A 31 -9.339 -6.597 8.082 1.00 0.66 C ATOM 514 NE ARG A 31 -10.685 -6.328 8.576 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.191 -5.107 8.733 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.440 -4.030 8.513 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.446 -4.962 9.130 1.00 2.03 N ATOM 0 H ARG A 31 -8.896 -8.845 4.695 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.546 -10.616 6.931 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.385 -7.838 6.019 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.157 -8.662 7.359 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.143 -8.654 8.660 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.162 -8.201 7.280 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.610 -6.296 8.835 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.150 -5.991 7.196 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.275 -7.125 8.816 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.468 -4.137 8.222 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.836 -3.098 8.636 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -13.021 -5.784 9.314 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.838 -4.028 9.252 1.00 2.03 H new ATOM 531 N ASN A 32 -12.060 -10.964 6.356 1.00 0.55 N ATOM 532 CA ASN A 32 -13.321 -11.520 5.886 1.00 0.64 C ATOM 533 C ASN A 32 -13.040 -12.733 5.001 1.00 0.65 C ATOM 534 O ASN A 32 -13.569 -12.850 3.895 1.00 0.66 O ATOM 535 CB ASN A 32 -14.113 -10.446 5.125 1.00 0.64 C ATOM 536 CG ASN A 32 -15.557 -10.835 4.882 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.140 -11.627 5.625 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.156 -10.250 3.859 1.00 0.99 N ATOM 0 H ASN A 32 -11.954 -10.969 7.370 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.924 -11.844 6.734 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.084 -9.514 5.689 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.628 -10.255 4.168 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.137 -10.448 3.661 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -15.638 -9.600 3.268 1.00 0.99 H new ATOM 545 N ASN A 33 -12.159 -13.607 5.502 1.00 0.73 N ATOM 546 CA ASN A 33 -11.712 -14.817 4.792 1.00 0.83 C ATOM 547 C ASN A 33 -10.740 -14.468 3.660 1.00 0.78 C ATOM 548 O ASN A 33 -9.996 -15.319 3.176 1.00 1.04 O ATOM 549 CB ASN A 33 -12.905 -15.616 4.244 1.00 0.95 C ATOM 550 CG ASN A 33 -12.492 -16.935 3.611 1.00 1.62 C ATOM 551 OD1 ASN A 33 -11.552 -17.593 4.066 1.00 1.82 O ATOM 552 ND2 ASN A 33 -13.184 -17.326 2.552 1.00 2.33 N ATOM 0 H ASN A 33 -11.731 -13.495 6.421 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.187 -15.441 5.515 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -13.608 -15.812 5.054 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.431 -15.013 3.504 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -12.947 -18.200 2.082 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -13.954 -16.754 2.206 1.00 2.33 H new ATOM 559 N GLY A 34 -10.724 -13.205 3.267 1.00 0.55 N ATOM 560 CA GLY A 34 -9.880 -12.777 2.172 1.00 0.52 C ATOM 561 C GLY A 34 -10.657 -12.009 1.122 1.00 0.48 C ATOM 562 O GLY A 34 -10.432 -12.171 -0.076 1.00 0.62 O ATOM 0 H GLY A 34 -11.284 -12.464 3.689 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.076 -12.151 2.558 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.413 -13.648 1.712 1.00 0.52 H new ATOM 566 N LYS A 35 -11.589 -11.185 1.578 1.00 0.40 N ATOM 567 CA LYS A 35 -12.373 -10.345 0.684 1.00 0.40 C ATOM 568 C LYS A 35 -11.920 -8.894 0.795 1.00 0.28 C ATOM 569 O LYS A 35 -12.043 -8.116 -0.151 1.00 0.28 O ATOM 570 CB LYS A 35 -13.865 -10.454 1.012 1.00 0.52 C ATOM 571 CG LYS A 35 -14.432 -11.856 0.841 1.00 0.67 C ATOM 572 CD LYS A 35 -14.288 -12.339 -0.592 1.00 0.85 C ATOM 573 CE LYS A 35 -14.789 -13.766 -0.753 1.00 1.14 C ATOM 574 NZ LYS A 35 -14.591 -14.270 -2.138 1.00 1.60 N ATOM 0 H LYS A 35 -11.821 -11.080 2.566 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.216 -10.690 -0.338 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.026 -10.130 2.040 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.419 -9.768 0.372 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.917 -12.543 1.512 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.484 -11.862 1.125 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.846 -11.679 -1.257 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.242 -12.284 -0.892 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.265 -14.416 -0.052 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -15.848 -13.810 -0.499 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -14.945 -15.245 -2.206 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.111 -13.665 -2.805 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -13.578 -14.252 -2.372 1.00 1.60 H new ATOM 588 N VAL A 36 -11.394 -8.541 1.959 1.00 0.25 N ATOM 589 CA VAL A 36 -10.905 -7.192 2.198 1.00 0.19 C ATOM 590 C VAL A 36 -9.431 -7.218 2.572 1.00 0.16 C ATOM 591 O VAL A 36 -9.048 -7.858 3.531 1.00 0.22 O ATOM 592 CB VAL A 36 -11.708 -6.504 3.328 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.058 -5.192 3.740 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.143 -6.264 2.893 1.00 0.30 C ATOM 0 H VAL A 36 -11.295 -9.172 2.754 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.035 -6.624 1.276 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.709 -7.170 4.191 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.643 -4.730 4.535 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.047 -5.384 4.098 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.018 -4.521 2.882 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.692 -5.780 3.701 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.154 -5.623 2.012 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.615 -7.217 2.654 1.00 0.30 H new ATOM 604 N MET A 37 -8.608 -6.511 1.828 1.00 0.15 N ATOM 605 CA MET A 37 -7.197 -6.435 2.152 1.00 0.18 C ATOM 606 C MET A 37 -6.925 -5.221 3.007 1.00 0.16 C ATOM 607 O MET A 37 -7.087 -4.091 2.560 1.00 0.17 O ATOM 608 CB MET A 37 -6.331 -6.377 0.897 1.00 0.24 C ATOM 609 CG MET A 37 -6.302 -7.671 0.099 1.00 0.51 C ATOM 610 SD MET A 37 -4.724 -7.930 -0.749 1.00 1.03 S ATOM 611 CE MET A 37 -4.456 -6.315 -1.468 1.00 1.66 C ATOM 0 H MET A 37 -8.887 -5.984 1.001 1.00 0.15 H new ATOM 0 HA MET A 37 -6.938 -7.340 2.702 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.695 -5.575 0.255 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.312 -6.117 1.184 1.00 0.24 H new ATOM 0 HG2 MET A 37 -6.493 -8.510 0.768 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.107 -7.659 -0.635 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.290 -6.417 -2.540 1.00 1.66 H new ATOM 0 HE2 MET A 37 -5.332 -5.690 -1.294 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.583 -5.852 -1.008 1.00 1.66 H new ATOM 621 N ASP A 38 -6.526 -5.450 4.239 1.00 0.17 N ATOM 622 CA ASP A 38 -6.206 -4.354 5.129 1.00 0.18 C ATOM 623 C ASP A 38 -4.742 -3.997 4.976 1.00 0.18 C ATOM 624 O ASP A 38 -3.864 -4.739 5.408 1.00 0.20 O ATOM 625 CB ASP A 38 -6.512 -4.744 6.575 1.00 0.24 C ATOM 626 CG ASP A 38 -6.718 -3.549 7.490 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.860 -2.642 7.520 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.751 -3.523 8.200 1.00 0.81 O ATOM 0 H ASP A 38 -6.416 -6.379 4.646 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.815 -3.487 4.872 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.407 -5.366 6.594 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.693 -5.351 6.961 1.00 0.24 H new ATOM 633 N LEU A 39 -4.497 -2.869 4.335 1.00 0.18 N ATOM 634 CA LEU A 39 -3.146 -2.394 4.092 1.00 0.19 C ATOM 635 C LEU A 39 -2.636 -1.702 5.334 1.00 0.20 C ATOM 636 O LEU A 39 -3.042 -0.586 5.642 1.00 0.28 O ATOM 637 CB LEU A 39 -3.112 -1.432 2.894 1.00 0.20 C ATOM 638 CG LEU A 39 -3.118 -2.084 1.510 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.159 -3.185 1.404 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.353 -1.024 0.445 1.00 0.22 C ATOM 0 H LEU A 39 -5.226 -2.257 3.969 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.506 -3.244 3.856 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.972 -0.766 2.964 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.220 -0.811 2.977 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.144 -2.548 1.353 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.128 -3.620 0.405 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.948 -3.958 2.143 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.149 -2.768 1.588 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.357 -1.492 -0.539 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.313 -0.539 0.620 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.558 -0.280 0.490 1.00 0.22 H new ATOM 652 N VAL A 40 -1.755 -2.370 6.045 1.00 0.17 N ATOM 653 CA VAL A 40 -1.302 -1.896 7.332 1.00 0.20 C ATOM 654 C VAL A 40 0.180 -1.559 7.297 1.00 0.18 C ATOM 655 O VAL A 40 0.996 -2.378 6.892 1.00 0.23 O ATOM 656 CB VAL A 40 -1.543 -2.960 8.423 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.964 -2.522 9.757 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.024 -3.256 8.562 1.00 0.88 C ATOM 0 H VAL A 40 -1.335 -3.251 5.749 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.872 -0.997 7.566 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.031 -3.872 8.117 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.150 -3.293 10.505 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.110 -2.368 9.654 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.436 -1.591 10.070 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.174 -4.009 9.336 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.553 -2.343 8.836 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.411 -3.629 7.614 1.00 0.88 H new ATOM 668 N HIS A 41 0.509 -0.343 7.703 1.00 0.16 N ATOM 669 CA HIS A 41 1.891 0.056 7.933 1.00 0.17 C ATOM 670 C HIS A 41 2.676 0.227 6.639 1.00 0.14 C ATOM 671 O HIS A 41 3.229 -0.727 6.090 1.00 0.17 O ATOM 672 CB HIS A 41 2.585 -0.954 8.864 1.00 0.22 C ATOM 673 CG HIS A 41 4.000 -0.616 9.250 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.845 -1.537 9.827 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.710 0.539 9.171 1.00 0.56 C ATOM 676 CE1 HIS A 41 6.002 -0.967 10.093 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.950 0.293 9.708 1.00 0.67 N ATOM 0 H HIS A 41 -0.172 0.395 7.882 1.00 0.16 H new ATOM 0 HA HIS A 41 1.870 1.034 8.414 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.992 -1.050 9.774 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.583 -1.930 8.378 1.00 0.22 H new ATOM 0 HD1 HIS A 41 4.611 -2.511 10.019 1.00 0.98 H new ATOM 0 HD2 HIS A 41 4.364 1.477 8.762 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.852 -1.451 10.550 1.00 1.03 H new ATOM 686 N THR A 42 2.703 1.458 6.165 1.00 0.16 N ATOM 687 CA THR A 42 3.626 1.861 5.125 1.00 0.16 C ATOM 688 C THR A 42 4.883 2.400 5.793 1.00 0.20 C ATOM 689 O THR A 42 4.802 3.255 6.679 1.00 0.31 O ATOM 690 CB THR A 42 3.014 2.955 4.211 1.00 0.20 C ATOM 691 OG1 THR A 42 3.988 3.435 3.283 1.00 0.22 O ATOM 692 CG2 THR A 42 2.482 4.118 5.037 1.00 0.31 C ATOM 0 H THR A 42 2.087 2.204 6.490 1.00 0.16 H new ATOM 0 HA THR A 42 3.854 0.999 4.498 1.00 0.16 H new ATOM 0 HB THR A 42 2.186 2.506 3.662 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.708 3.212 2.371 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.058 4.872 4.373 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.710 3.758 5.717 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.296 4.558 5.613 1.00 0.31 H new ATOM 700 N TYR A 43 6.037 1.875 5.436 1.00 0.22 N ATOM 701 CA TYR A 43 7.264 2.393 5.998 1.00 0.29 C ATOM 702 C TYR A 43 8.348 2.476 4.947 1.00 0.27 C ATOM 703 O TYR A 43 8.396 1.666 4.025 1.00 0.37 O ATOM 704 CB TYR A 43 7.736 1.553 7.180 1.00 0.45 C ATOM 705 CG TYR A 43 8.607 2.351 8.118 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.152 3.515 8.720 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.888 1.909 8.420 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.953 4.218 9.598 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.696 2.604 9.291 1.00 1.34 C ATOM 710 CZ TYR A 43 10.193 3.881 9.808 1.00 1.58 C ATOM 711 OH TYR A 43 11.026 4.455 10.760 1.00 2.02 O ATOM 0 H TYR A 43 6.150 1.107 4.774 1.00 0.22 H new ATOM 0 HA TYR A 43 7.055 3.399 6.362 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.872 1.170 7.723 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.291 0.689 6.814 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.158 3.876 8.499 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.257 1.003 7.963 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.541 5.067 10.123 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.664 2.223 9.583 1.00 1.34 H new ATOM 0 HH TYR A 43 11.908 4.029 10.722 1.00 2.02 H new ATOM 721 N VAL A 44 9.209 3.465 5.103 1.00 0.25 N ATOM 722 CA VAL A 44 10.280 3.719 4.157 1.00 0.28 C ATOM 723 C VAL A 44 11.424 4.474 4.843 1.00 0.34 C ATOM 724 O VAL A 44 11.183 5.352 5.676 1.00 0.36 O ATOM 725 CB VAL A 44 9.753 4.528 2.943 1.00 0.33 C ATOM 726 CG1 VAL A 44 9.241 5.894 3.374 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.818 4.666 1.867 1.00 0.60 C ATOM 0 H VAL A 44 9.185 4.115 5.889 1.00 0.25 H new ATOM 0 HA VAL A 44 10.658 2.762 3.796 1.00 0.28 H new ATOM 0 HB VAL A 44 8.917 3.973 2.517 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.878 6.438 2.502 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.427 5.769 4.088 1.00 0.71 H new ATOM 0 HG13 VAL A 44 10.050 6.455 3.841 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.418 5.238 1.030 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.685 5.183 2.278 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.116 3.676 1.521 1.00 0.60 H new ATOM 737 N PRO A 45 12.683 4.109 4.545 1.00 0.41 N ATOM 738 CA PRO A 45 13.855 4.833 5.044 1.00 0.48 C ATOM 739 C PRO A 45 13.938 6.236 4.456 1.00 0.51 C ATOM 740 O PRO A 45 13.300 6.531 3.442 1.00 0.50 O ATOM 741 CB PRO A 45 15.046 3.991 4.573 1.00 0.61 C ATOM 742 CG PRO A 45 14.472 2.677 4.174 1.00 0.79 C ATOM 743 CD PRO A 45 13.069 2.953 3.727 1.00 0.48 C ATOM 0 HA PRO A 45 13.822 4.961 6.126 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.556 4.467 3.735 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.782 3.872 5.369 1.00 0.61 H new ATOM 0 HG2 PRO A 45 15.055 2.225 3.371 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.484 1.977 5.009 1.00 0.79 H new ATOM 0 HD2 PRO A 45 13.022 3.179 2.662 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.415 2.099 3.901 1.00 0.48 H new ATOM 751 N SER A 46 14.750 7.083 5.079 1.00 0.63 N ATOM 752 CA SER A 46 14.888 8.478 4.676 1.00 0.77 C ATOM 753 C SER A 46 15.266 8.592 3.200 1.00 0.80 C ATOM 754 O SER A 46 14.898 9.554 2.528 1.00 0.94 O ATOM 755 CB SER A 46 15.944 9.168 5.550 1.00 0.91 C ATOM 756 OG SER A 46 16.003 10.561 5.292 1.00 1.39 O ATOM 0 H SER A 46 15.330 6.823 5.876 1.00 0.63 H new ATOM 0 HA SER A 46 13.926 8.972 4.813 1.00 0.77 H new ATOM 0 HB2 SER A 46 15.712 9.001 6.602 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.920 8.721 5.364 1.00 0.91 H new ATOM 0 HG SER A 46 16.684 10.971 5.865 1.00 1.39 H new ATOM 762 N PHE A 47 15.964 7.579 2.702 1.00 0.75 N ATOM 763 CA PHE A 47 16.474 7.573 1.337 1.00 0.80 C ATOM 764 C PHE A 47 15.357 7.689 0.299 1.00 0.73 C ATOM 765 O PHE A 47 15.578 8.202 -0.799 1.00 0.82 O ATOM 766 CB PHE A 47 17.255 6.283 1.080 1.00 0.83 C ATOM 767 CG PHE A 47 18.322 5.997 2.100 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.569 6.588 2.004 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.076 5.129 3.151 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.551 6.320 2.938 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.053 4.857 4.087 1.00 3.04 C ATOM 772 CZ PHE A 47 20.292 5.453 3.982 1.00 3.12 C ATOM 0 H PHE A 47 16.192 6.739 3.233 1.00 0.75 H new ATOM 0 HA PHE A 47 17.123 8.443 1.235 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.556 5.447 1.057 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.716 6.341 0.094 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.777 7.266 1.190 1.00 1.61 H new ATOM 0 HD2 PHE A 47 17.108 4.659 3.239 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.521 6.788 2.852 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.847 4.178 4.901 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.058 5.243 4.714 1.00 3.12 H new ATOM 782 N LYS A 48 14.159 7.215 0.634 1.00 0.61 N ATOM 783 CA LYS A 48 13.080 7.144 -0.347 1.00 0.60 C ATOM 784 C LYS A 48 11.738 7.594 0.231 1.00 0.64 C ATOM 785 O LYS A 48 10.685 7.215 -0.284 1.00 0.78 O ATOM 786 CB LYS A 48 12.964 5.714 -0.888 1.00 0.55 C ATOM 787 CG LYS A 48 14.136 5.307 -1.767 1.00 0.76 C ATOM 788 CD LYS A 48 14.112 3.826 -2.114 1.00 0.81 C ATOM 789 CE LYS A 48 14.270 2.964 -0.874 1.00 0.97 C ATOM 790 NZ LYS A 48 14.660 1.576 -1.211 1.00 1.19 N ATOM 0 H LYS A 48 13.913 6.878 1.565 1.00 0.61 H new ATOM 0 HA LYS A 48 13.329 7.829 -1.157 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.889 5.021 -0.050 1.00 0.55 H new ATOM 0 HB3 LYS A 48 12.041 5.623 -1.460 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.119 5.893 -2.686 1.00 0.76 H new ATOM 0 HG3 LYS A 48 15.069 5.543 -1.256 1.00 0.76 H new ATOM 0 HD2 LYS A 48 13.173 3.582 -2.611 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.913 3.603 -2.819 1.00 0.81 H new ATOM 0 HE2 LYS A 48 15.023 3.404 -0.220 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.332 2.953 -0.318 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.227 0.919 -0.531 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 14.332 1.346 -2.171 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.695 1.486 -1.169 1.00 1.19 H new ATOM 804 N ARG A 49 11.772 8.416 1.278 1.00 0.73 N ATOM 805 CA ARG A 49 10.538 8.906 1.898 1.00 0.84 C ATOM 806 C ARG A 49 9.749 9.762 0.916 1.00 0.91 C ATOM 807 O ARG A 49 8.658 9.387 0.486 1.00 1.75 O ATOM 808 CB ARG A 49 10.838 9.723 3.159 1.00 1.03 C ATOM 809 CG ARG A 49 11.484 8.921 4.272 1.00 1.35 C ATOM 810 CD ARG A 49 11.799 9.793 5.476 1.00 1.45 C ATOM 811 NE ARG A 49 10.596 10.203 6.200 1.00 1.92 N ATOM 812 CZ ARG A 49 10.582 11.152 7.134 1.00 2.48 C ATOM 813 NH1 ARG A 49 11.685 11.833 7.411 1.00 2.70 N ATOM 814 NH2 ARG A 49 9.461 11.418 7.790 1.00 3.23 N ATOM 0 H ARG A 49 12.630 8.755 1.713 1.00 0.73 H new ATOM 0 HA ARG A 49 9.944 8.036 2.178 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.494 10.553 2.895 1.00 1.03 H new ATOM 0 HB3 ARG A 49 9.909 10.156 3.529 1.00 1.03 H new ATOM 0 HG2 ARG A 49 10.819 8.111 4.572 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.401 8.460 3.905 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.458 9.249 6.152 1.00 1.45 H new ATOM 0 HD3 ARG A 49 12.341 10.680 5.147 1.00 1.45 H new ATOM 0 HE ARG A 49 9.718 9.735 5.977 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.549 11.631 6.908 1.00 2.70 H new ATOM 0 HH12 ARG A 49 11.670 12.559 8.127 1.00 2.70 H new ATOM 0 HH21 ARG A 49 8.611 10.896 7.579 1.00 3.23 H new ATOM 0 HH22 ARG A 49 9.449 12.145 8.506 1.00 3.23 H new ATOM 828 N GLY A 50 10.325 10.896 0.538 1.00 1.00 N ATOM 829 CA GLY A 50 9.661 11.797 -0.382 1.00 1.07 C ATOM 830 C GLY A 50 9.834 11.383 -1.829 1.00 0.98 C ATOM 831 O GLY A 50 9.645 12.188 -2.741 1.00 1.12 O ATOM 0 H GLY A 50 11.243 11.208 0.854 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.598 11.836 -0.144 1.00 1.07 H new ATOM 0 HA3 GLY A 50 10.055 12.804 -0.246 1.00 1.07 H new ATOM 835 N LEU A 51 10.198 10.127 -2.045 1.00 0.81 N ATOM 836 CA LEU A 51 10.373 9.612 -3.392 1.00 0.81 C ATOM 837 C LEU A 51 9.061 9.063 -3.925 1.00 0.71 C ATOM 838 O LEU A 51 8.848 9.005 -5.134 1.00 0.88 O ATOM 839 CB LEU A 51 11.428 8.506 -3.418 1.00 0.82 C ATOM 840 CG LEU A 51 11.818 8.006 -4.816 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.412 9.135 -5.646 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.794 6.842 -4.715 1.00 1.95 C ATOM 0 H LEU A 51 10.377 9.448 -1.305 1.00 0.81 H new ATOM 0 HA LEU A 51 10.705 10.436 -4.023 1.00 0.81 H new ATOM 0 HB2 LEU A 51 12.325 8.870 -2.917 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.059 7.661 -2.837 1.00 0.82 H new ATOM 0 HG LEU A 51 10.916 7.654 -5.317 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.681 8.758 -6.633 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.679 9.935 -5.750 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.302 9.522 -5.150 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.059 6.501 -5.716 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.694 7.166 -4.192 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.329 6.024 -4.164 1.00 1.95 H new ATOM 854 N GLY A 52 8.176 8.655 -3.027 1.00 0.52 N ATOM 855 CA GLY A 52 6.953 8.036 -3.476 1.00 0.43 C ATOM 856 C GLY A 52 6.855 6.586 -3.059 1.00 0.32 C ATOM 857 O GLY A 52 5.769 6.022 -3.008 1.00 0.28 O ATOM 0 H GLY A 52 8.281 8.740 -2.016 1.00 0.52 H new ATOM 0 HA2 GLY A 52 6.102 8.585 -3.074 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.892 8.104 -4.562 1.00 0.43 H new ATOM 861 N LEU A 53 8.003 5.975 -2.807 1.00 0.31 N ATOM 862 CA LEU A 53 8.094 4.537 -2.572 1.00 0.27 C ATOM 863 C LEU A 53 7.115 4.072 -1.487 1.00 0.20 C ATOM 864 O LEU A 53 6.470 3.038 -1.642 1.00 0.20 O ATOM 865 CB LEU A 53 9.536 4.183 -2.190 1.00 0.29 C ATOM 866 CG LEU A 53 9.921 2.701 -2.296 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.513 1.937 -1.049 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.281 2.077 -3.526 1.00 0.67 C ATOM 0 H LEU A 53 8.899 6.460 -2.759 1.00 0.31 H new ATOM 0 HA LEU A 53 7.818 4.017 -3.489 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.210 4.758 -2.825 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.709 4.509 -1.164 1.00 0.29 H new ATOM 0 HG LEU A 53 11.005 2.641 -2.390 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.799 0.890 -1.154 1.00 0.55 H new ATOM 0 HD12 LEU A 53 10.013 2.365 -0.180 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.433 2.007 -0.917 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.562 1.026 -3.589 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.197 2.159 -3.453 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.625 2.599 -4.419 1.00 0.67 H new ATOM 880 N ALA A 54 6.996 4.846 -0.413 1.00 0.19 N ATOM 881 CA ALA A 54 6.081 4.516 0.681 1.00 0.17 C ATOM 882 C ALA A 54 4.658 4.276 0.174 1.00 0.15 C ATOM 883 O ALA A 54 4.031 3.262 0.487 1.00 0.15 O ATOM 884 CB ALA A 54 6.084 5.629 1.715 1.00 0.24 C ATOM 0 H ALA A 54 7.522 5.709 -0.274 1.00 0.19 H new ATOM 0 HA ALA A 54 6.431 3.592 1.140 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.400 5.375 2.525 1.00 0.24 H new ATOM 0 HB2 ALA A 54 7.091 5.752 2.115 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.763 6.560 1.248 1.00 0.24 H new ATOM 890 N SER A 55 4.145 5.218 -0.602 1.00 0.17 N ATOM 891 CA SER A 55 2.823 5.083 -1.188 1.00 0.21 C ATOM 892 C SER A 55 2.805 4.027 -2.284 1.00 0.21 C ATOM 893 O SER A 55 1.798 3.362 -2.471 1.00 0.25 O ATOM 894 CB SER A 55 2.341 6.419 -1.742 1.00 0.28 C ATOM 895 OG SER A 55 3.363 7.086 -2.459 1.00 1.08 O ATOM 0 H SER A 55 4.626 6.085 -0.840 1.00 0.17 H new ATOM 0 HA SER A 55 2.145 4.762 -0.397 1.00 0.21 H new ATOM 0 HB2 SER A 55 1.485 6.254 -2.396 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.999 7.051 -0.922 1.00 0.28 H new ATOM 0 HG SER A 55 4.057 6.443 -2.713 1.00 1.08 H new ATOM 901 N HIS A 56 3.914 3.866 -3.006 1.00 0.21 N ATOM 902 CA HIS A 56 3.995 2.831 -4.038 1.00 0.23 C ATOM 903 C HIS A 56 3.836 1.453 -3.420 1.00 0.20 C ATOM 904 O HIS A 56 3.328 0.535 -4.056 1.00 0.23 O ATOM 905 CB HIS A 56 5.301 2.903 -4.841 1.00 0.29 C ATOM 906 CG HIS A 56 5.267 3.921 -5.948 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.717 3.663 -7.185 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.715 5.200 -6.002 1.00 0.70 C ATOM 909 CE1 HIS A 56 4.830 4.732 -7.950 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.431 5.680 -7.257 1.00 0.93 N ATOM 0 H HIS A 56 4.757 4.429 -2.899 1.00 0.21 H new ATOM 0 HA HIS A 56 3.177 3.013 -4.735 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.122 3.140 -4.164 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.512 1.922 -5.266 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.204 5.741 -5.206 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.488 4.817 -8.971 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.649 6.616 -7.598 1.00 0.93 H new ATOM 919 N LEU A 57 4.264 1.321 -2.175 1.00 0.15 N ATOM 920 CA LEU A 57 4.031 0.108 -1.414 1.00 0.13 C ATOM 921 C LEU A 57 2.528 -0.080 -1.198 1.00 0.13 C ATOM 922 O LEU A 57 1.979 -1.152 -1.457 1.00 0.15 O ATOM 923 CB LEU A 57 4.756 0.191 -0.069 1.00 0.14 C ATOM 924 CG LEU A 57 6.281 0.286 -0.141 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.853 0.613 1.229 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.870 -1.013 -0.665 1.00 0.22 C ATOM 0 H LEU A 57 4.777 2.043 -1.670 1.00 0.15 H new ATOM 0 HA LEU A 57 4.419 -0.748 -1.967 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.382 1.060 0.471 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.493 -0.688 0.519 1.00 0.14 H new ATOM 0 HG LEU A 57 6.547 1.088 -0.830 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.939 0.678 1.164 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.453 1.567 1.572 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.578 -0.171 1.935 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.956 -0.928 -0.710 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.597 -1.831 0.002 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.480 -1.213 -1.663 1.00 0.22 H new ATOM 938 N CYS A 58 1.871 0.984 -0.739 1.00 0.16 N ATOM 939 CA CYS A 58 0.421 0.972 -0.545 1.00 0.19 C ATOM 940 C CYS A 58 -0.307 0.733 -1.872 1.00 0.19 C ATOM 941 O CYS A 58 -1.292 -0.005 -1.929 1.00 0.20 O ATOM 942 CB CYS A 58 -0.052 2.290 0.100 1.00 0.23 C ATOM 943 SG CYS A 58 -1.836 2.372 0.384 1.00 0.27 S ATOM 0 H CYS A 58 2.320 1.867 -0.494 1.00 0.16 H new ATOM 0 HA CYS A 58 0.178 0.151 0.129 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.463 2.422 1.051 1.00 0.23 H new ATOM 0 HB3 CYS A 58 0.242 3.122 -0.540 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.453 2.460 -0.757 1.00 0.27 H new ATOM 949 N VAL A 59 0.192 1.349 -2.935 1.00 0.19 N ATOM 950 CA VAL A 59 -0.394 1.210 -4.263 1.00 0.22 C ATOM 951 C VAL A 59 -0.198 -0.205 -4.805 1.00 0.20 C ATOM 952 O VAL A 59 -1.055 -0.728 -5.512 1.00 0.22 O ATOM 953 CB VAL A 59 0.204 2.245 -5.246 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.253 1.985 -6.675 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.178 3.658 -4.828 1.00 0.29 C ATOM 0 H VAL A 59 1.011 1.957 -2.903 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.463 1.399 -4.171 1.00 0.22 H new ATOM 0 HB VAL A 59 1.289 2.142 -5.213 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.186 2.730 -7.339 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.068 0.990 -6.984 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.340 2.048 -6.727 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.251 4.373 -5.530 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.264 3.756 -4.827 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.205 3.857 -3.827 1.00 0.29 H new ATOM 965 N ALA A 60 0.919 -0.830 -4.462 1.00 0.18 N ATOM 966 CA ALA A 60 1.192 -2.196 -4.899 1.00 0.21 C ATOM 967 C ALA A 60 0.155 -3.165 -4.345 1.00 0.17 C ATOM 968 O ALA A 60 -0.171 -4.170 -4.984 1.00 0.17 O ATOM 969 CB ALA A 60 2.593 -2.622 -4.488 1.00 0.28 C ATOM 0 H ALA A 60 1.651 -0.416 -3.884 1.00 0.18 H new ATOM 0 HA ALA A 60 1.130 -2.219 -5.987 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.776 -3.643 -4.823 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.325 -1.954 -4.943 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.684 -2.575 -3.403 1.00 0.28 H new ATOM 975 N ALA A 61 -0.373 -2.871 -3.162 1.00 0.16 N ATOM 976 CA ALA A 61 -1.447 -3.673 -2.622 1.00 0.16 C ATOM 977 C ALA A 61 -2.740 -3.374 -3.370 1.00 0.14 C ATOM 978 O ALA A 61 -3.570 -4.261 -3.571 1.00 0.15 O ATOM 979 CB ALA A 61 -1.598 -3.431 -1.134 1.00 0.20 C ATOM 0 H ALA A 61 -0.076 -2.094 -2.572 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.209 -4.728 -2.758 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.412 -4.044 -0.746 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.671 -3.696 -0.626 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.821 -2.379 -0.957 1.00 0.20 H new ATOM 985 N PHE A 62 -2.893 -2.124 -3.805 1.00 0.14 N ATOM 986 CA PHE A 62 -4.021 -1.743 -4.649 1.00 0.15 C ATOM 987 C PHE A 62 -4.014 -2.553 -5.938 1.00 0.15 C ATOM 988 O PHE A 62 -5.031 -3.136 -6.316 1.00 0.16 O ATOM 989 CB PHE A 62 -3.990 -0.254 -5.005 1.00 0.17 C ATOM 990 CG PHE A 62 -4.392 0.684 -3.899 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.472 0.388 -3.073 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.668 1.837 -3.663 1.00 0.20 C ATOM 993 CE1 PHE A 62 -5.824 1.234 -2.031 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.015 2.688 -2.630 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.176 2.449 -1.897 1.00 0.24 C ATOM 0 H PHE A 62 -2.252 -1.361 -3.587 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.928 -1.947 -4.080 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -2.981 0.004 -5.328 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.650 -0.088 -5.857 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.044 -0.512 -3.245 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.823 2.076 -4.292 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.596 0.947 -1.332 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.389 3.535 -2.392 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.566 3.205 -1.231 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.854 -2.585 -6.598 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.684 -3.329 -7.846 1.00 0.19 C ATOM 1007 C GLU A 63 -3.100 -4.781 -7.658 1.00 0.19 C ATOM 1008 O GLU A 63 -3.727 -5.383 -8.530 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.221 -3.292 -8.311 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.604 -1.904 -8.356 1.00 0.29 C ATOM 1011 CD GLU A 63 0.738 -1.896 -9.055 1.00 1.16 C ATOM 1012 OE1 GLU A 63 1.751 -2.239 -8.405 1.00 1.58 O ATOM 1013 OE2 GLU A 63 0.797 -1.540 -10.248 1.00 1.98 O ATOM 0 H GLU A 63 -2.013 -2.100 -6.285 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.314 -2.858 -8.600 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.626 -3.918 -7.645 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.159 -3.735 -9.305 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.283 -1.223 -8.869 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.484 -1.529 -7.340 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.762 -5.322 -6.500 1.00 0.17 N ATOM 1021 CA HIS A 64 -3.012 -6.722 -6.198 1.00 0.19 C ATOM 1022 C HIS A 64 -4.510 -6.988 -6.082 1.00 0.19 C ATOM 1023 O HIS A 64 -5.053 -7.861 -6.763 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.294 -7.099 -4.900 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.374 -8.553 -4.549 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.979 -9.020 -3.404 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -1.898 -9.643 -5.192 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -2.869 -10.333 -3.358 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.219 -10.742 -4.432 1.00 1.33 N ATOM 0 H HIS A 64 -2.309 -4.807 -5.746 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.626 -7.337 -7.011 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.245 -6.815 -4.984 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.718 -6.516 -4.082 1.00 0.20 H new ATOM 0 HD1 HIS A 64 -3.440 -8.441 -2.702 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -1.364 -9.649 -6.131 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -3.248 -10.969 -2.572 1.00 1.68 H new ATOM 1038 N ALA A 65 -5.174 -6.214 -5.235 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.590 -6.415 -4.976 1.00 0.16 C ATOM 1040 C ALA A 65 -7.438 -6.049 -6.181 1.00 0.15 C ATOM 1041 O ALA A 65 -8.296 -6.826 -6.590 1.00 0.17 O ATOM 1042 CB ALA A 65 -7.031 -5.622 -3.765 1.00 0.20 C ATOM 0 H ALA A 65 -4.754 -5.442 -4.717 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.736 -7.476 -4.774 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -8.094 -5.787 -3.589 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.464 -5.946 -2.892 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.853 -4.561 -3.940 1.00 0.20 H new ATOM 1048 N SER A 66 -7.200 -4.869 -6.748 1.00 0.16 N ATOM 1049 CA SER A 66 -7.972 -4.408 -7.902 1.00 0.20 C ATOM 1050 C SER A 66 -7.996 -5.449 -9.028 1.00 0.24 C ATOM 1051 O SER A 66 -9.058 -5.742 -9.578 1.00 0.31 O ATOM 1052 CB SER A 66 -7.411 -3.080 -8.425 1.00 0.24 C ATOM 1053 OG SER A 66 -8.252 -2.523 -9.423 1.00 1.21 O ATOM 0 H SER A 66 -6.483 -4.217 -6.430 1.00 0.16 H new ATOM 0 HA SER A 66 -8.998 -4.258 -7.567 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.307 -2.376 -7.599 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.414 -3.240 -8.835 1.00 0.24 H new ATOM 0 HG SER A 66 -7.871 -1.677 -9.737 1.00 1.21 H new ATOM 1059 N SER A 67 -6.840 -6.027 -9.346 1.00 0.25 N ATOM 1060 CA SER A 67 -6.740 -6.979 -10.451 1.00 0.33 C ATOM 1061 C SER A 67 -7.519 -8.265 -10.159 1.00 0.34 C ATOM 1062 O SER A 67 -8.063 -8.896 -11.069 1.00 0.44 O ATOM 1063 CB SER A 67 -5.271 -7.306 -10.733 1.00 0.39 C ATOM 1064 OG SER A 67 -4.520 -6.120 -10.948 1.00 1.20 O ATOM 0 H SER A 67 -5.962 -5.854 -8.857 1.00 0.25 H new ATOM 0 HA SER A 67 -7.182 -6.514 -11.332 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.850 -7.861 -9.894 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.199 -7.950 -11.609 1.00 0.39 H new ATOM 0 HG SER A 67 -4.190 -5.782 -10.089 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.582 -8.641 -8.887 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.247 -9.876 -8.481 1.00 0.35 C ATOM 1072 C HIS A 68 -9.699 -9.601 -8.081 1.00 0.37 C ATOM 1073 O HIS A 68 -10.427 -10.510 -7.684 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.485 -10.498 -7.307 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.832 -11.931 -7.009 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.865 -12.305 -6.177 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -7.240 -13.083 -7.405 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.891 -13.619 -6.073 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -7.915 -14.116 -6.806 1.00 0.82 N ATOM 0 H HIS A 68 -7.180 -8.108 -8.116 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.252 -10.570 -9.321 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.417 -10.434 -7.513 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.674 -9.901 -6.414 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.393 -13.172 -8.069 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -9.594 -14.192 -5.486 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -7.697 -15.107 -6.911 1.00 0.82 H new ATOM 1088 N SER A 69 -10.107 -8.340 -8.202 1.00 0.33 N ATOM 1089 CA SER A 69 -11.433 -7.898 -7.770 1.00 0.37 C ATOM 1090 C SER A 69 -11.610 -8.113 -6.264 1.00 0.34 C ATOM 1091 O SER A 69 -12.503 -8.838 -5.819 1.00 0.54 O ATOM 1092 CB SER A 69 -12.540 -8.607 -8.561 1.00 0.47 C ATOM 1093 OG SER A 69 -12.505 -8.239 -9.931 1.00 1.12 O ATOM 0 H SER A 69 -9.532 -7.598 -8.600 1.00 0.33 H new ATOM 0 HA SER A 69 -11.515 -6.830 -7.974 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.423 -9.687 -8.468 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.512 -8.354 -8.138 1.00 0.47 H new ATOM 0 HG SER A 69 -13.219 -8.706 -10.413 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.728 -7.487 -5.494 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.764 -7.557 -4.037 1.00 0.21 C ATOM 1101 C ILE A 70 -10.907 -6.151 -3.456 1.00 0.19 C ATOM 1102 O ILE A 70 -10.438 -5.187 -4.055 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.472 -8.213 -3.476 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.279 -9.614 -4.057 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.502 -8.279 -1.956 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -8.018 -10.303 -3.575 1.00 0.36 C ATOM 0 H ILE A 70 -9.967 -6.916 -5.862 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.619 -8.169 -3.749 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.630 -7.589 -3.775 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -10.141 -10.228 -3.796 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.253 -9.547 -5.145 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.585 -8.743 -1.594 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.584 -7.271 -1.550 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.359 -8.871 -1.634 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.948 -11.292 -4.028 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.148 -9.711 -3.859 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -8.050 -10.403 -2.490 1.00 0.36 H new ATOM 1118 N SER A 71 -11.553 -6.030 -2.302 1.00 0.19 N ATOM 1119 CA SER A 71 -11.680 -4.740 -1.640 1.00 0.19 C ATOM 1120 C SER A 71 -10.536 -4.541 -0.647 1.00 0.17 C ATOM 1121 O SER A 71 -9.853 -5.496 -0.280 1.00 0.19 O ATOM 1122 CB SER A 71 -13.042 -4.625 -0.946 1.00 0.23 C ATOM 1123 OG SER A 71 -13.361 -5.804 -0.227 1.00 1.01 O ATOM 0 H SER A 71 -11.994 -6.806 -1.809 1.00 0.19 H new ATOM 0 HA SER A 71 -11.619 -3.951 -2.390 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.034 -3.774 -0.265 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.815 -4.431 -1.690 1.00 0.23 H new ATOM 0 HG SER A 71 -12.559 -6.360 -0.138 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.329 -3.303 -0.219 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.171 -2.949 0.595 1.00 0.14 C ATOM 1131 C ILE A 72 -9.551 -1.955 1.702 1.00 0.14 C ATOM 1132 O ILE A 72 -10.490 -1.173 1.559 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.054 -2.328 -0.297 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.464 -3.374 -1.244 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.946 -1.691 0.528 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.204 -2.908 -1.944 1.00 0.20 C ATOM 0 H ILE A 72 -10.952 -2.521 -0.423 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.802 -3.863 1.061 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.526 -1.541 -0.885 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.244 -4.281 -0.680 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.211 -3.638 -1.993 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.191 -1.272 -0.138 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.364 -0.897 1.147 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.488 -2.446 1.166 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.839 -3.698 -2.600 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.424 -2.019 -2.535 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.442 -2.671 -1.202 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.823 -2.024 2.808 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.906 -1.048 3.887 1.00 0.13 C ATOM 1150 C ILE A 73 -7.494 -0.646 4.289 1.00 0.13 C ATOM 1151 O ILE A 73 -6.763 -1.438 4.868 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.639 -1.615 5.127 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.128 -1.811 4.833 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.434 -0.711 6.341 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.867 -0.520 4.548 1.00 0.24 C ATOM 0 H ILE A 73 -8.149 -2.769 2.984 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.474 -0.190 3.526 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.210 -2.590 5.360 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.236 -2.478 3.977 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.595 -2.307 5.684 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.958 -1.130 7.200 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.370 -0.639 6.566 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.827 0.282 6.125 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.916 -0.738 4.349 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.791 0.141 5.411 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.426 -0.033 3.678 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.069 0.566 3.946 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.727 1.032 4.238 1.00 0.18 C ATOM 1169 C PRO A 74 -5.600 1.691 5.612 1.00 0.17 C ATOM 1170 O PRO A 74 -6.091 2.801 5.831 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.459 2.052 3.123 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.761 2.241 2.396 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.830 1.575 3.219 1.00 0.23 C ATOM 0 HA PRO A 74 -5.015 0.207 4.269 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.106 2.996 3.538 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.685 1.692 2.445 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -6.979 3.301 2.267 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.713 1.802 1.400 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.324 2.277 3.891 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.606 1.130 2.596 1.00 0.23 H new ATOM 1181 N SER A 75 -4.958 0.984 6.535 1.00 0.16 N ATOM 1182 CA SER A 75 -4.538 1.562 7.807 1.00 0.17 C ATOM 1183 C SER A 75 -3.320 2.461 7.566 1.00 0.16 C ATOM 1184 O SER A 75 -2.943 3.285 8.398 1.00 0.20 O ATOM 1185 CB SER A 75 -4.216 0.444 8.803 1.00 0.20 C ATOM 1186 OG SER A 75 -5.347 -0.392 9.005 1.00 1.19 O ATOM 0 H SER A 75 -4.715 -0.000 6.424 1.00 0.16 H new ATOM 0 HA SER A 75 -5.340 2.166 8.231 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.380 -0.150 8.433 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.903 0.876 9.753 1.00 0.20 H new ATOM 0 HG SER A 75 -5.326 -1.132 8.362 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.730 2.268 6.392 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.713 3.147 5.808 1.00 0.17 C ATOM 1194 C CYS A 76 -2.299 4.507 5.432 1.00 0.16 C ATOM 1195 O CYS A 76 -1.731 5.217 4.607 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.053 2.502 4.594 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.503 0.827 4.920 1.00 0.90 S ATOM 0 H CYS A 76 -2.951 1.469 5.797 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.950 3.304 6.570 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.758 2.494 3.763 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.201 3.107 4.284 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.382 0.217 5.658 1.00 0.90 H new ATOM 1203 N SER A 77 -3.496 4.789 5.943 1.00 0.20 N ATOM 1204 CA SER A 77 -4.311 5.937 5.552 1.00 0.25 C ATOM 1205 C SER A 77 -3.564 7.283 5.532 1.00 0.24 C ATOM 1206 O SER A 77 -4.137 8.281 5.112 1.00 0.26 O ATOM 1207 CB SER A 77 -5.515 6.024 6.488 1.00 0.34 C ATOM 1208 OG SER A 77 -5.126 5.795 7.833 1.00 0.71 O ATOM 0 H SER A 77 -3.937 4.211 6.658 1.00 0.20 H new ATOM 0 HA SER A 77 -4.614 5.764 4.519 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.978 7.007 6.401 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.265 5.291 6.192 1.00 0.34 H new ATOM 0 HG SER A 77 -5.911 5.857 8.416 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.306 7.328 5.967 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.456 8.470 5.644 1.00 0.24 C ATOM 1216 C TYR A 78 -1.398 8.599 4.119 1.00 0.20 C ATOM 1217 O TYR A 78 -1.576 9.684 3.566 1.00 0.21 O ATOM 1218 CB TYR A 78 -0.043 8.300 6.238 1.00 0.27 C ATOM 1219 CG TYR A 78 1.089 8.468 5.236 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.562 9.726 4.883 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.676 7.359 4.637 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.580 9.872 3.960 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.694 7.497 3.715 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.144 8.754 3.381 1.00 0.25 C ATOM 1225 OH TYR A 78 4.157 8.895 2.463 1.00 0.30 O ATOM 0 H TYR A 78 -1.861 6.604 6.531 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.873 9.377 6.081 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.089 9.025 7.041 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.031 7.310 6.688 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.127 10.604 5.337 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.329 6.370 4.898 1.00 0.26 H new ATOM 0 HE1 TYR A 78 2.933 10.857 3.693 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.135 6.623 3.258 1.00 0.27 H new ATOM 0 HH TYR A 78 3.777 9.128 1.590 1.00 0.30 H new ATOM 1235 N VAL A 79 -1.178 7.460 3.459 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.235 7.363 2.010 1.00 0.17 C ATOM 1237 C VAL A 79 -2.627 7.710 1.525 1.00 0.18 C ATOM 1238 O VAL A 79 -2.803 8.558 0.660 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.900 5.931 1.522 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -1.076 5.811 0.012 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.506 5.528 1.928 1.00 0.18 C ATOM 0 H VAL A 79 -0.955 6.579 3.922 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.499 8.060 1.609 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.600 5.248 2.002 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.834 4.796 -0.303 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -2.109 6.037 -0.253 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.411 6.514 -0.489 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.712 4.519 1.572 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.224 6.221 1.490 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.593 5.554 3.014 1.00 0.18 H new ATOM 1251 N SER A 80 -3.609 7.053 2.115 1.00 0.20 N ATOM 1252 CA SER A 80 -4.997 7.184 1.688 1.00 0.25 C ATOM 1253 C SER A 80 -5.461 8.632 1.730 1.00 0.23 C ATOM 1254 O SER A 80 -6.131 9.112 0.823 1.00 0.23 O ATOM 1255 CB SER A 80 -5.882 6.339 2.595 1.00 0.36 C ATOM 1256 OG SER A 80 -5.301 5.066 2.800 1.00 0.99 O ATOM 0 H SER A 80 -3.472 6.416 2.900 1.00 0.20 H new ATOM 0 HA SER A 80 -5.071 6.838 0.657 1.00 0.25 H new ATOM 0 HB2 SER A 80 -6.019 6.842 3.552 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.870 6.228 2.149 1.00 0.36 H new ATOM 0 HG SER A 80 -5.201 4.610 1.939 1.00 0.99 H new ATOM 1262 N ASP A 81 -5.066 9.318 2.778 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.524 10.672 3.039 1.00 0.25 C ATOM 1264 C ASP A 81 -4.987 11.660 2.000 1.00 0.25 C ATOM 1265 O ASP A 81 -5.738 12.474 1.480 1.00 0.27 O ATOM 1266 CB ASP A 81 -5.107 11.090 4.454 1.00 0.31 C ATOM 1267 CG ASP A 81 -5.243 12.575 4.707 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.334 13.023 5.118 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.244 13.298 4.524 1.00 0.47 O ATOM 0 H ASP A 81 -4.417 8.956 3.477 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.611 10.688 2.964 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.715 10.548 5.179 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -4.072 10.794 4.622 1.00 0.31 H new ATOM 1274 N THR A 82 -3.687 11.622 1.732 1.00 0.23 N ATOM 1275 CA THR A 82 -3.100 12.523 0.737 1.00 0.25 C ATOM 1276 C THR A 82 -3.119 11.937 -0.686 1.00 0.22 C ATOM 1277 O THR A 82 -3.605 12.569 -1.630 1.00 0.23 O ATOM 1278 CB THR A 82 -1.662 12.955 1.118 1.00 0.28 C ATOM 1279 OG1 THR A 82 -1.086 13.744 0.070 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.775 11.753 1.404 1.00 0.26 C ATOM 0 H THR A 82 -3.025 10.989 2.180 1.00 0.23 H new ATOM 0 HA THR A 82 -3.736 13.408 0.736 1.00 0.25 H new ATOM 0 HB THR A 82 -1.728 13.552 2.027 1.00 0.28 H new ATOM 0 HG1 THR A 82 -0.178 14.012 0.324 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.226 12.094 1.668 1.00 0.26 H new ATOM 0 HG22 THR A 82 -1.193 11.181 2.232 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.721 11.121 0.517 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.598 10.724 -0.835 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.339 10.145 -2.151 1.00 0.19 C ATOM 1290 C PHE A 83 -3.605 9.724 -2.879 1.00 0.19 C ATOM 1291 O PHE A 83 -3.689 9.831 -4.101 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.401 8.947 -2.020 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.066 9.323 -1.429 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.644 10.417 -1.894 1.00 0.81 C ATOM 1295 CD2 PHE A 83 0.482 8.564 -0.406 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.876 10.742 -1.352 1.00 1.50 C ATOM 1297 CE2 PHE A 83 1.710 8.883 0.136 1.00 2.25 C ATOM 1298 CZ PHE A 83 2.385 10.058 -0.338 1.00 2.24 C ATOM 0 H PHE A 83 -2.345 10.118 -0.055 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.873 10.928 -2.749 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -1.871 8.188 -1.395 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.247 8.500 -3.002 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.233 11.023 -2.688 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -0.061 7.710 -0.028 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.433 11.570 -1.764 1.00 1.50 H new ATOM 0 HE2 PHE A 83 2.154 8.262 0.900 1.00 2.25 H new ATOM 0 HZ PHE A 83 3.303 10.383 0.130 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.582 9.238 -2.151 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.804 8.757 -2.779 1.00 0.19 C ATOM 1310 C LEU A 84 -6.635 9.878 -3.405 1.00 0.22 C ATOM 1311 O LEU A 84 -7.188 9.689 -4.481 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.622 7.929 -1.807 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.168 6.475 -1.724 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.917 5.734 -0.645 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.361 5.788 -3.064 1.00 0.34 C ATOM 0 H LEU A 84 -4.563 9.163 -1.134 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.501 8.113 -3.605 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.561 8.379 -0.816 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.670 7.959 -2.107 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.108 6.464 -1.469 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.573 4.700 -0.608 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.735 6.212 0.318 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.985 5.754 -0.864 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.033 4.751 -2.992 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.415 5.817 -3.339 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.773 6.302 -3.824 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.759 11.054 -2.762 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.322 12.232 -3.426 1.00 0.26 C ATOM 1329 C PRO A 85 -6.536 12.590 -4.683 1.00 0.28 C ATOM 1330 O PRO A 85 -7.101 13.062 -5.670 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.190 13.343 -2.388 1.00 0.28 C ATOM 1332 CG PRO A 85 -7.119 12.638 -1.085 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.432 11.326 -1.354 1.00 0.22 C ATOM 0 HA PRO A 85 -8.350 12.067 -3.748 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.297 13.943 -2.562 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -8.042 14.022 -2.425 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.563 13.226 -0.354 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -8.116 12.478 -0.674 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.356 11.396 -1.198 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.799 10.538 -0.697 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.229 12.347 -4.632 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.349 12.583 -5.775 1.00 0.31 C ATOM 1343 C ARG A 86 -4.733 11.682 -6.952 1.00 0.35 C ATOM 1344 O ARG A 86 -4.807 12.137 -8.094 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.890 12.354 -5.366 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.933 12.187 -6.534 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.519 11.906 -6.054 1.00 0.72 C ATOM 1348 NE ARG A 86 0.297 11.281 -7.095 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.576 10.936 -6.934 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.213 11.236 -5.808 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.220 10.306 -7.911 1.00 2.56 N ATOM 0 H ARG A 86 -4.753 11.984 -3.806 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.463 13.618 -6.097 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.559 13.196 -4.757 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.836 11.465 -4.737 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -2.272 11.370 -7.171 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.939 13.090 -7.144 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.051 12.838 -5.737 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.555 11.254 -5.181 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.138 11.098 -7.999 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.725 11.732 -5.062 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.191 10.971 -5.689 1.00 1.44 H new ATOM 0 HH21 ARG A 86 1.737 10.087 -8.782 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.198 10.042 -7.790 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.991 10.411 -6.670 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.439 9.482 -7.705 1.00 0.37 C ATOM 1367 C ASN A 87 -6.509 8.538 -7.157 1.00 0.34 C ATOM 1368 O ASN A 87 -6.219 7.453 -6.654 1.00 0.35 O ATOM 1369 CB ASN A 87 -4.268 8.698 -8.351 1.00 0.50 C ATOM 1370 CG ASN A 87 -3.504 7.755 -7.422 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -3.085 6.673 -7.839 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -3.275 8.158 -6.186 1.00 1.22 N ATOM 0 H ASN A 87 -4.899 10.000 -5.741 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.882 10.079 -8.502 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -4.662 8.116 -9.184 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.562 9.416 -8.769 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -2.739 7.569 -5.549 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -3.634 9.058 -5.868 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.782 8.962 -7.234 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.919 8.197 -6.713 1.00 0.42 C ATOM 1381 C PRO A 88 -9.285 7.024 -7.616 1.00 0.49 C ATOM 1382 O PRO A 88 -10.456 6.791 -7.916 1.00 0.89 O ATOM 1383 CB PRO A 88 -10.067 9.224 -6.680 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.450 10.542 -7.019 1.00 0.51 C ATOM 1385 CD PRO A 88 -8.222 10.231 -7.820 1.00 0.46 C ATOM 0 HA PRO A 88 -8.699 7.757 -5.740 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.846 8.962 -7.396 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.536 9.254 -5.696 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -10.142 11.161 -7.590 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -9.196 11.098 -6.116 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -8.443 10.133 -8.883 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -7.465 11.009 -7.722 1.00 0.46 H new ATOM 1393 N SER A 89 -8.282 6.262 -8.016 1.00 0.30 N ATOM 1394 CA SER A 89 -8.487 5.164 -8.943 1.00 0.36 C ATOM 1395 C SER A 89 -8.766 3.883 -8.166 1.00 0.34 C ATOM 1396 O SER A 89 -9.223 2.883 -8.717 1.00 0.42 O ATOM 1397 CB SER A 89 -7.250 5.000 -9.829 1.00 0.44 C ATOM 1398 OG SER A 89 -7.499 4.120 -10.910 1.00 1.37 O ATOM 0 H SER A 89 -7.316 6.384 -7.712 1.00 0.30 H new ATOM 0 HA SER A 89 -9.345 5.378 -9.580 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.945 5.973 -10.214 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.421 4.619 -9.232 1.00 0.44 H new ATOM 0 HG SER A 89 -6.690 4.038 -11.458 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.522 3.949 -6.868 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.604 2.784 -6.000 1.00 0.28 C ATOM 1406 C TRP A 90 -9.850 2.860 -5.126 1.00 0.32 C ATOM 1407 O TRP A 90 -9.984 2.144 -4.133 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.340 2.719 -5.148 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.113 3.069 -5.936 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.357 4.198 -5.808 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.524 2.309 -6.999 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.327 4.182 -6.712 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.405 3.031 -7.456 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.828 1.084 -7.604 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.593 2.570 -8.490 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.021 0.629 -8.630 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -3.915 1.370 -9.064 1.00 0.38 C ATOM 0 H TRP A 90 -8.262 4.809 -6.386 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.679 1.878 -6.601 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.436 3.402 -4.304 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.232 1.716 -4.735 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.543 4.989 -5.097 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.618 4.908 -6.815 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.678 0.505 -7.275 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.739 3.140 -8.827 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.247 -0.314 -9.105 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.304 0.987 -9.868 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.765 3.735 -5.521 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.048 3.878 -4.844 1.00 0.43 C ATOM 1430 C LYS A 91 -12.896 2.595 -4.946 1.00 0.41 C ATOM 1431 O LYS A 91 -13.588 2.248 -3.993 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.828 5.059 -5.423 1.00 0.55 C ATOM 1433 CG LYS A 91 -14.032 5.459 -4.586 1.00 1.20 C ATOM 1434 CD LYS A 91 -14.913 6.459 -5.314 1.00 1.38 C ATOM 1435 CE LYS A 91 -15.993 7.017 -4.401 1.00 1.83 C ATOM 1436 NZ LYS A 91 -16.729 5.944 -3.682 1.00 2.61 N ATOM 0 H LYS A 91 -10.641 4.363 -6.315 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.839 4.061 -3.790 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.160 5.915 -5.516 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.163 4.805 -6.429 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.615 4.572 -4.339 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.694 5.890 -3.644 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -14.300 7.275 -5.696 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.376 5.978 -6.176 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.540 7.693 -3.676 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.696 7.606 -4.990 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.586 6.342 -3.248 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -16.996 5.196 -4.354 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -16.120 5.542 -2.940 1.00 2.61 H new ATOM 1450 N PRO A 92 -12.891 1.877 -6.102 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.576 0.576 -6.224 1.00 0.42 C ATOM 1452 C PRO A 92 -13.052 -0.484 -5.255 1.00 0.38 C ATOM 1453 O PRO A 92 -13.591 -1.590 -5.188 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.301 0.147 -7.667 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.005 1.411 -8.387 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.301 2.286 -7.394 1.00 0.43 C ATOM 0 HA PRO A 92 -14.634 0.675 -5.981 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -12.461 -0.545 -7.721 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.162 -0.363 -8.099 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.379 1.227 -9.260 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -13.921 1.882 -8.744 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.223 2.128 -7.412 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.471 3.343 -7.597 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.011 -0.150 -4.509 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.408 -1.093 -3.580 1.00 0.26 C ATOM 1466 C LEU A 93 -11.702 -0.701 -2.144 1.00 0.22 C ATOM 1467 O LEU A 93 -12.126 -1.526 -1.334 1.00 0.21 O ATOM 1468 CB LEU A 93 -9.894 -1.135 -3.784 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.448 -1.290 -5.232 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -7.935 -1.192 -5.335 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -9.942 -2.610 -5.797 1.00 0.26 C ATOM 0 H LEU A 93 -11.566 0.767 -4.529 1.00 0.30 H new ATOM 0 HA LEU A 93 -11.836 -2.076 -3.775 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.462 -0.219 -3.382 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.486 -1.962 -3.203 1.00 0.25 H new ATOM 0 HG LEU A 93 -9.882 -0.481 -5.820 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.633 -1.305 -6.376 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.607 -0.220 -4.965 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.478 -1.980 -4.737 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.616 -2.707 -6.833 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.534 -3.433 -5.209 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.031 -2.639 -5.755 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.474 0.563 -1.828 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.548 1.019 -0.453 1.00 0.22 C ATOM 1485 C ILE A 94 -12.655 2.050 -0.264 1.00 0.27 C ATOM 1486 O ILE A 94 -13.549 2.180 -1.094 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.210 1.647 -0.001 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.047 3.060 -0.554 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.042 0.793 -0.455 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.281 3.955 0.382 1.00 0.75 C ATOM 0 H ILE A 94 -11.237 1.289 -2.504 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.766 0.141 0.155 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.223 1.697 1.088 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.531 3.015 -1.513 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.031 3.490 -0.741 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.108 1.250 -0.128 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.129 -0.203 -0.021 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.048 0.717 -1.542 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.192 4.949 -0.056 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.809 4.024 1.333 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.286 3.541 0.548 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.585 2.757 0.860 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.445 3.900 1.121 1.00 0.43 C ATOM 1504 C HIS A 95 -13.389 4.883 -0.054 1.00 0.39 C ATOM 1505 O HIS A 95 -14.368 5.051 -0.780 1.00 0.55 O ATOM 1506 CB HIS A 95 -12.994 4.607 2.410 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.168 3.797 3.664 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -12.507 4.088 4.842 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -13.925 2.701 3.924 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -12.850 3.210 5.765 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -13.706 2.360 5.235 1.00 1.70 N ATOM 0 H HIS A 95 -11.929 2.551 1.614 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.470 3.550 1.241 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -11.943 4.877 2.311 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.554 5.537 2.513 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -14.577 2.193 3.229 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -12.490 3.191 6.783 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -14.137 1.574 5.722 1.00 1.70 H new ATOM 1520 N SER A 96 -12.223 5.513 -0.215 1.00 0.41 N ATOM 1521 CA SER A 96 -11.935 6.448 -1.311 1.00 0.49 C ATOM 1522 C SER A 96 -10.692 7.237 -0.937 1.00 0.67 C ATOM 1523 O SER A 96 -9.828 7.528 -1.763 1.00 1.53 O ATOM 1524 CB SER A 96 -13.100 7.416 -1.554 1.00 0.51 C ATOM 1525 OG SER A 96 -12.856 8.268 -2.665 1.00 1.43 O ATOM 0 H SER A 96 -11.437 5.387 0.423 1.00 0.41 H new ATOM 0 HA SER A 96 -11.784 5.882 -2.230 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.014 6.848 -1.725 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.263 8.020 -0.661 1.00 0.51 H new ATOM 0 HG SER A 96 -13.620 8.869 -2.790 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.635 7.562 0.340 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.543 8.281 0.942 1.00 0.52 C ATOM 1533 C GLU A 97 -9.352 7.671 2.332 1.00 0.61 C ATOM 1534 O GLU A 97 -9.601 6.477 2.507 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.918 9.767 0.992 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.836 10.699 1.501 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.400 12.045 1.892 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.503 12.929 1.021 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -9.784 12.209 3.065 1.00 1.79 O ATOM 0 H GLU A 97 -11.373 7.323 1.002 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.609 8.206 0.386 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.204 10.085 -0.011 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.798 9.880 1.626 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.341 10.248 2.361 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.077 10.832 0.730 1.00 1.09 H new