USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 944 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 83 HIS : no HD1:sc= -0.0772 X(o=-1.5,f=-1.7) USER MOD Set 1.2: A 85 MET CE :methyl -171:sc= -1.39 (180deg=-1.7) USER MOD Set 2.1: A 48 THR OG1 : rot 160:sc= 1.14 USER MOD Set 2.2: A 61 MET CE :methyl 176:sc= 0 (180deg=-0.00634) USER MOD Single : A 11 SER OG : rot -115:sc= 0.525 USER MOD Single : A 15 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.6) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0152 USER MOD Single : A 21 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 24 ASN : amide:sc= -0.0188 K(o=-0.019,f=-2.9) USER MOD Single : A 37 THR OG1 : rot 165:sc= -0.606 USER MOD Single : A 46 HIS : no HD1:sc= -0.02 K(o=-0.02,f=-2.9!) USER MOD Single : A 50 MET CE :methyl 169:sc= 0 (180deg=-0.161) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.357 (180deg=-1.49!) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= 0.786 (180deg=-0.699!) USER MOD Single : A 59 MET CE :methyl -172:sc= 0 (180deg=-0.029) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -0.015 (180deg=-0.316!) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0.746 (180deg=0.275) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= 1.64 (180deg=0.456) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0595) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.668) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.851 -2.605 -1.447 1.00 1.75 N ATOM 56 CA GLU A 5 10.864 -3.686 -1.591 1.00 1.00 C ATOM 57 C GLU A 5 9.625 -3.377 -0.723 1.00 0.91 C ATOM 58 O GLU A 5 9.611 -2.398 0.021 1.00 1.25 O ATOM 59 CB GLU A 5 11.430 -5.074 -1.223 1.00 2.00 C ATOM 60 CG GLU A 5 10.764 -6.211 -2.021 1.00 3.54 C ATOM 61 CD GLU A 5 11.819 -7.223 -2.458 1.00 4.26 C ATOM 62 OE1 GLU A 5 12.620 -7.680 -1.612 1.00 4.80 O ATOM 63 OE2 GLU A 5 12.053 -7.320 -3.681 1.00 4.87 O ATOM 0 HA GLU A 5 10.588 -3.728 -2.645 1.00 1.00 H new ATOM 0 HB2 GLU A 5 12.504 -5.086 -1.407 1.00 2.00 H new ATOM 0 HB3 GLU A 5 11.287 -5.250 -0.157 1.00 2.00 H new ATOM 0 HG2 GLU A 5 10.007 -6.702 -1.409 1.00 3.54 H new ATOM 0 HG3 GLU A 5 10.253 -5.804 -2.894 1.00 3.54 H new ATOM 70 N GLY A 6 8.598 -4.230 -0.773 1.00 1.03 N ATOM 71 CA GLY A 6 7.449 -4.167 0.135 1.00 0.90 C ATOM 72 C GLY A 6 7.387 -5.293 1.160 1.00 0.78 C ATOM 73 O GLY A 6 8.183 -6.230 1.128 1.00 0.90 O ATOM 0 H GLY A 6 8.540 -4.990 -1.451 1.00 1.03 H new ATOM 0 HA2 GLY A 6 7.472 -3.214 0.663 1.00 0.90 H new ATOM 0 HA3 GLY A 6 6.534 -4.182 -0.457 1.00 0.90 H new ATOM 77 N TRP A 7 6.391 -5.189 2.043 1.00 0.74 N ATOM 78 CA TRP A 7 6.047 -6.173 3.069 1.00 0.67 C ATOM 79 C TRP A 7 4.597 -5.972 3.547 1.00 0.63 C ATOM 80 O TRP A 7 4.112 -4.841 3.632 1.00 0.68 O ATOM 81 CB TRP A 7 7.060 -6.138 4.235 1.00 0.77 C ATOM 82 CG TRP A 7 7.036 -4.973 5.179 1.00 0.83 C ATOM 83 CD1 TRP A 7 6.525 -5.005 6.431 1.00 0.88 C ATOM 84 CD2 TRP A 7 7.598 -3.632 5.015 1.00 0.95 C ATOM 85 NE1 TRP A 7 6.748 -3.799 7.062 1.00 1.00 N ATOM 86 CE2 TRP A 7 7.403 -2.909 6.232 1.00 1.04 C ATOM 87 CE3 TRP A 7 8.261 -2.952 3.968 1.00 1.06 C ATOM 88 CZ2 TRP A 7 7.824 -1.579 6.391 1.00 1.22 C ATOM 89 CZ3 TRP A 7 8.689 -1.620 4.118 1.00 1.23 C ATOM 90 CH2 TRP A 7 8.470 -0.930 5.325 1.00 1.30 C ATOM 0 H TRP A 7 5.774 -4.377 2.062 1.00 0.74 H new ATOM 0 HA TRP A 7 6.108 -7.169 2.630 1.00 0.67 H new ATOM 0 HB2 TRP A 7 6.916 -7.043 4.825 1.00 0.77 H new ATOM 0 HB3 TRP A 7 8.060 -6.194 3.805 1.00 0.77 H new ATOM 0 HD1 TRP A 7 6.017 -5.850 6.872 1.00 0.88 H new ATOM 0 HE1 TRP A 7 6.465 -3.590 8.020 1.00 1.00 H new ATOM 0 HE3 TRP A 7 8.443 -3.465 3.035 1.00 1.06 H new ATOM 0 HZ2 TRP A 7 7.653 -1.060 7.323 1.00 1.22 H new ATOM 0 HZ3 TRP A 7 9.190 -1.123 3.300 1.00 1.23 H new ATOM 0 HH2 TRP A 7 8.797 0.094 5.431 1.00 1.30 H new ATOM 101 N VAL A 8 3.905 -7.062 3.890 1.00 0.66 N ATOM 102 CA VAL A 8 2.596 -7.002 4.560 1.00 0.68 C ATOM 103 C VAL A 8 2.827 -6.968 6.069 1.00 0.79 C ATOM 104 O VAL A 8 3.690 -7.673 6.592 1.00 0.93 O ATOM 105 CB VAL A 8 1.662 -8.156 4.117 1.00 0.77 C ATOM 106 CG1 VAL A 8 0.495 -8.423 5.086 1.00 1.03 C ATOM 107 CG2 VAL A 8 1.065 -7.786 2.751 1.00 1.04 C ATOM 0 H VAL A 8 4.233 -8.011 3.713 1.00 0.66 H new ATOM 0 HA VAL A 8 2.074 -6.092 4.265 1.00 0.68 H new ATOM 0 HB VAL A 8 2.268 -9.062 4.088 1.00 0.77 H new ATOM 0 HG11 VAL A 8 -0.113 -9.244 4.706 1.00 1.03 H new ATOM 0 HG12 VAL A 8 0.890 -8.687 6.067 1.00 1.03 H new ATOM 0 HG13 VAL A 8 -0.119 -7.527 5.171 1.00 1.03 H new ATOM 0 HG21 VAL A 8 0.402 -8.584 2.416 1.00 1.04 H new ATOM 0 HG22 VAL A 8 0.500 -6.858 2.840 1.00 1.04 H new ATOM 0 HG23 VAL A 8 1.869 -7.653 2.027 1.00 1.04 H new ATOM 117 N ARG A 9 2.050 -6.137 6.769 1.00 0.82 N ATOM 118 CA ARG A 9 2.157 -5.981 8.214 1.00 0.92 C ATOM 119 C ARG A 9 1.312 -7.013 8.972 1.00 1.10 C ATOM 120 O ARG A 9 0.104 -7.146 8.752 1.00 1.65 O ATOM 121 CB ARG A 9 1.808 -4.544 8.625 1.00 1.03 C ATOM 122 CG ARG A 9 1.971 -4.410 10.143 1.00 1.24 C ATOM 123 CD ARG A 9 1.923 -2.983 10.676 1.00 2.13 C ATOM 124 NE ARG A 9 1.910 -3.029 12.146 1.00 2.46 N ATOM 125 CZ ARG A 9 2.975 -3.247 12.910 1.00 3.32 C ATOM 126 NH1 ARG A 9 4.201 -3.179 12.451 1.00 4.58 N ATOM 127 NH2 ARG A 9 2.841 -3.561 14.180 1.00 4.01 N ATOM 0 H ARG A 9 1.329 -5.554 6.344 1.00 0.82 H new ATOM 0 HA ARG A 9 3.193 -6.171 8.493 1.00 0.92 H new ATOM 0 HB2 ARG A 9 2.459 -3.836 8.112 1.00 1.03 H new ATOM 0 HB3 ARG A 9 0.785 -4.306 8.333 1.00 1.03 H new ATOM 0 HG2 ARG A 9 1.186 -4.989 10.629 1.00 1.24 H new ATOM 0 HG3 ARG A 9 2.922 -4.857 10.431 1.00 1.24 H new ATOM 0 HD2 ARG A 9 2.786 -2.419 10.323 1.00 2.13 H new ATOM 0 HD3 ARG A 9 1.035 -2.471 10.306 1.00 2.13 H new ATOM 0 HE ARG A 9 1.016 -2.882 12.614 1.00 2.46 H new ATOM 0 HH11 ARG A 9 4.367 -2.951 11.471 1.00 4.58 H new ATOM 0 HH12 ARG A 9 4.989 -3.354 13.074 1.00 4.58 H new ATOM 0 HH21 ARG A 9 1.911 -3.640 14.590 1.00 4.01 H new ATOM 0 HH22 ARG A 9 3.668 -3.726 14.755 1.00 4.01 H new ATOM 141 N PHE A 10 1.949 -7.644 9.959 1.00 1.31 N ATOM 142 CA PHE A 10 1.319 -8.425 11.017 1.00 1.54 C ATOM 143 C PHE A 10 0.222 -7.637 11.762 1.00 1.64 C ATOM 144 O PHE A 10 0.469 -6.634 12.430 1.00 2.06 O ATOM 145 CB PHE A 10 2.420 -8.943 11.961 1.00 2.12 C ATOM 146 CG PHE A 10 1.947 -9.428 13.323 1.00 2.43 C ATOM 147 CD1 PHE A 10 1.809 -8.519 14.391 1.00 3.68 C ATOM 148 CD2 PHE A 10 1.630 -10.782 13.525 1.00 2.10 C ATOM 149 CE1 PHE A 10 1.309 -8.952 15.631 1.00 3.94 C ATOM 150 CE2 PHE A 10 1.145 -11.221 14.770 1.00 2.34 C ATOM 151 CZ PHE A 10 0.970 -10.302 15.819 1.00 3.00 C ATOM 0 H PHE A 10 2.965 -7.622 10.044 1.00 1.31 H new ATOM 0 HA PHE A 10 0.798 -9.274 10.574 1.00 1.54 H new ATOM 0 HB2 PHE A 10 2.942 -9.762 11.466 1.00 2.12 H new ATOM 0 HB3 PHE A 10 3.148 -8.146 12.112 1.00 2.12 H new ATOM 0 HD1 PHE A 10 2.089 -7.485 14.256 1.00 3.68 H new ATOM 0 HD2 PHE A 10 1.760 -11.490 12.719 1.00 2.10 H new ATOM 0 HE1 PHE A 10 1.185 -8.247 16.439 1.00 3.94 H new ATOM 0 HE2 PHE A 10 0.907 -12.264 14.920 1.00 2.34 H new ATOM 0 HZ PHE A 10 0.575 -10.633 16.768 1.00 3.00 H new ATOM 161 N SER A 11 -0.995 -8.169 11.698 1.00 1.49 N ATOM 162 CA SER A 11 -2.132 -7.855 12.561 1.00 1.79 C ATOM 163 C SER A 11 -3.188 -8.963 12.360 1.00 1.84 C ATOM 164 O SER A 11 -3.876 -8.963 11.338 1.00 2.21 O ATOM 165 CB SER A 11 -2.681 -6.464 12.229 1.00 2.04 C ATOM 166 OG SER A 11 -3.716 -6.112 13.124 1.00 3.12 O ATOM 0 H SER A 11 -1.229 -8.874 11.000 1.00 1.49 H new ATOM 0 HA SER A 11 -1.836 -7.828 13.610 1.00 1.79 H new ATOM 0 HB2 SER A 11 -1.879 -5.728 12.284 1.00 2.04 H new ATOM 0 HB3 SER A 11 -3.057 -6.450 11.206 1.00 2.04 H new ATOM 0 HG SER A 11 -4.560 -6.031 12.632 1.00 3.12 H new ATOM 172 N PRO A 12 -3.278 -9.974 13.248 1.00 1.77 N ATOM 173 CA PRO A 12 -4.073 -11.185 13.017 1.00 2.14 C ATOM 174 C PRO A 12 -5.553 -10.987 13.407 1.00 2.12 C ATOM 175 O PRO A 12 -6.139 -11.823 14.091 1.00 2.82 O ATOM 176 CB PRO A 12 -3.344 -12.266 13.826 1.00 2.65 C ATOM 177 CG PRO A 12 -2.836 -11.492 15.040 1.00 2.36 C ATOM 178 CD PRO A 12 -2.446 -10.144 14.433 1.00 1.81 C ATOM 0 HA PRO A 12 -4.138 -11.465 11.966 1.00 2.14 H new ATOM 0 HB2 PRO A 12 -4.013 -13.077 14.114 1.00 2.65 H new ATOM 0 HB3 PRO A 12 -2.527 -12.713 13.260 1.00 2.65 H new ATOM 0 HG2 PRO A 12 -3.606 -11.385 15.805 1.00 2.36 H new ATOM 0 HG3 PRO A 12 -1.986 -11.987 15.510 1.00 2.36 H new ATOM 0 HD2 PRO A 12 -2.612 -9.335 15.144 1.00 1.81 H new ATOM 0 HD3 PRO A 12 -1.388 -10.127 14.171 1.00 1.81 H new ATOM 186 N GLY A 13 -6.141 -9.847 13.023 1.00 1.77 N ATOM 187 CA GLY A 13 -7.443 -9.382 13.514 1.00 1.71 C ATOM 188 C GLY A 13 -8.432 -8.995 12.403 1.00 1.55 C ATOM 189 O GLY A 13 -8.429 -9.604 11.333 1.00 1.94 O ATOM 0 H GLY A 13 -5.716 -9.210 12.349 1.00 1.77 H new ATOM 0 HA2 GLY A 13 -7.889 -10.166 14.126 1.00 1.71 H new ATOM 0 HA3 GLY A 13 -7.288 -8.520 14.163 1.00 1.71 H new ATOM 193 N PRO A 14 -9.316 -8.004 12.643 1.00 1.29 N ATOM 194 CA PRO A 14 -10.273 -7.522 11.646 1.00 1.48 C ATOM 195 C PRO A 14 -9.623 -6.621 10.583 1.00 1.20 C ATOM 196 O PRO A 14 -10.287 -6.251 9.614 1.00 1.59 O ATOM 197 CB PRO A 14 -11.327 -6.761 12.456 1.00 1.70 C ATOM 198 CG PRO A 14 -10.517 -6.182 13.613 1.00 1.46 C ATOM 199 CD PRO A 14 -9.488 -7.275 13.897 1.00 1.26 C ATOM 0 HA PRO A 14 -10.699 -8.348 11.077 1.00 1.48 H new ATOM 0 HB2 PRO A 14 -11.803 -5.979 11.865 1.00 1.70 H new ATOM 0 HB3 PRO A 14 -12.120 -7.421 12.808 1.00 1.70 H new ATOM 0 HG2 PRO A 14 -10.040 -5.241 13.340 1.00 1.46 H new ATOM 0 HG3 PRO A 14 -11.143 -5.982 14.483 1.00 1.46 H new ATOM 0 HD2 PRO A 14 -8.544 -6.844 14.230 1.00 1.26 H new ATOM 0 HD3 PRO A 14 -9.833 -7.939 14.690 1.00 1.26 H new ATOM 207 N ASN A 15 -8.343 -6.261 10.748 1.00 0.76 N ATOM 208 CA ASN A 15 -7.599 -5.370 9.868 1.00 0.58 C ATOM 209 C ASN A 15 -6.080 -5.621 9.909 1.00 0.70 C ATOM 210 O ASN A 15 -5.541 -6.137 10.892 1.00 0.93 O ATOM 211 CB ASN A 15 -7.934 -3.909 10.210 1.00 0.71 C ATOM 212 CG ASN A 15 -7.561 -3.502 11.630 1.00 1.38 C ATOM 213 OD1 ASN A 15 -6.422 -3.606 12.061 1.00 2.31 O ATOM 214 ND2 ASN A 15 -8.514 -3.031 12.411 1.00 2.18 N ATOM 0 H ASN A 15 -7.782 -6.599 11.530 1.00 0.76 H new ATOM 0 HA ASN A 15 -7.908 -5.581 8.844 1.00 0.58 H new ATOM 0 HB2 ASN A 15 -7.417 -3.255 9.508 1.00 0.71 H new ATOM 0 HB3 ASN A 15 -9.003 -3.749 10.066 1.00 0.71 H new ATOM 0 HD21 ASN A 15 -8.299 -2.756 13.369 1.00 2.18 H new ATOM 0 HD22 ASN A 15 -9.466 -2.942 12.057 1.00 2.18 H new ATOM 221 N ALA A 16 -5.404 -5.214 8.830 1.00 0.71 N ATOM 222 CA ALA A 16 -3.957 -5.243 8.598 1.00 0.98 C ATOM 223 C ALA A 16 -3.558 -4.185 7.547 1.00 0.80 C ATOM 224 O ALA A 16 -4.350 -3.296 7.239 1.00 0.52 O ATOM 225 CB ALA A 16 -3.551 -6.675 8.208 1.00 1.42 C ATOM 0 H ALA A 16 -5.898 -4.822 8.028 1.00 0.71 H new ATOM 0 HA ALA A 16 -3.413 -4.979 9.505 1.00 0.98 H new ATOM 0 HB1 ALA A 16 -2.476 -6.713 8.032 1.00 1.42 H new ATOM 0 HB2 ALA A 16 -3.811 -7.360 9.015 1.00 1.42 H new ATOM 0 HB3 ALA A 16 -4.078 -6.968 7.300 1.00 1.42 H new ATOM 231 N ALA A 17 -2.348 -4.257 6.991 1.00 1.29 N ATOM 232 CA ALA A 17 -1.843 -3.289 6.015 1.00 1.18 C ATOM 233 C ALA A 17 -0.872 -3.935 5.024 1.00 1.18 C ATOM 234 O ALA A 17 -0.182 -4.893 5.372 1.00 1.37 O ATOM 235 CB ALA A 17 -1.150 -2.143 6.770 1.00 1.21 C ATOM 0 H ALA A 17 -1.682 -4.999 7.208 1.00 1.29 H new ATOM 0 HA ALA A 17 -2.683 -2.906 5.436 1.00 1.18 H new ATOM 0 HB1 ALA A 17 -0.769 -1.414 6.055 1.00 1.21 H new ATOM 0 HB2 ALA A 17 -1.866 -1.659 7.434 1.00 1.21 H new ATOM 0 HB3 ALA A 17 -0.323 -2.542 7.357 1.00 1.21 H new ATOM 241 N ALA A 18 -0.762 -3.349 3.831 1.00 1.06 N ATOM 242 CA ALA A 18 0.314 -3.627 2.882 1.00 1.05 C ATOM 243 C ALA A 18 1.079 -2.339 2.548 1.00 0.81 C ATOM 244 O ALA A 18 0.495 -1.345 2.100 1.00 0.99 O ATOM 245 CB ALA A 18 -0.252 -4.291 1.622 1.00 1.24 C ATOM 0 H ALA A 18 -1.430 -2.656 3.493 1.00 1.06 H new ATOM 0 HA ALA A 18 1.021 -4.321 3.337 1.00 1.05 H new ATOM 0 HB1 ALA A 18 0.559 -4.494 0.922 1.00 1.24 H new ATOM 0 HB2 ALA A 18 -0.740 -5.227 1.892 1.00 1.24 H new ATOM 0 HB3 ALA A 18 -0.977 -3.625 1.154 1.00 1.24 H new ATOM 251 N TYR A 19 2.395 -2.397 2.744 1.00 0.63 N ATOM 252 CA TYR A 19 3.375 -1.414 2.288 1.00 0.66 C ATOM 253 C TYR A 19 4.096 -1.972 1.057 1.00 0.77 C ATOM 254 O TYR A 19 4.349 -3.179 0.997 1.00 0.90 O ATOM 255 CB TYR A 19 4.432 -1.186 3.376 1.00 0.67 C ATOM 256 CG TYR A 19 3.950 -1.051 4.805 1.00 0.64 C ATOM 257 CD1 TYR A 19 3.237 0.087 5.236 1.00 1.95 C ATOM 258 CD2 TYR A 19 4.322 -2.037 5.732 1.00 1.94 C ATOM 259 CE1 TYR A 19 2.965 0.261 6.610 1.00 1.98 C ATOM 260 CE2 TYR A 19 4.115 -1.837 7.106 1.00 2.03 C ATOM 261 CZ TYR A 19 3.466 -0.670 7.550 1.00 0.95 C ATOM 262 OH TYR A 19 3.374 -0.433 8.885 1.00 1.30 O ATOM 0 H TYR A 19 2.828 -3.169 3.250 1.00 0.63 H new ATOM 0 HA TYR A 19 2.861 -0.480 2.059 1.00 0.66 H new ATOM 0 HB2 TYR A 19 5.139 -2.015 3.337 1.00 0.67 H new ATOM 0 HB3 TYR A 19 4.986 -0.283 3.122 1.00 0.67 H new ATOM 0 HD1 TYR A 19 2.901 0.821 4.519 1.00 1.95 H new ATOM 0 HD2 TYR A 19 4.771 -2.956 5.386 1.00 1.94 H new ATOM 0 HE1 TYR A 19 2.376 1.103 6.943 1.00 1.98 H new ATOM 0 HE2 TYR A 19 4.452 -2.575 7.819 1.00 2.03 H new ATOM 0 HH TYR A 19 2.579 0.111 9.067 1.00 1.30 H new ATOM 272 N LEU A 20 4.508 -1.132 0.105 1.00 0.78 N ATOM 273 CA LEU A 20 5.203 -1.625 -1.091 1.00 0.87 C ATOM 274 C LEU A 20 5.942 -0.556 -1.866 1.00 0.88 C ATOM 275 O LEU A 20 5.418 0.538 -2.061 1.00 0.94 O ATOM 276 CB LEU A 20 4.261 -2.446 -2.002 1.00 0.97 C ATOM 277 CG LEU A 20 3.022 -1.699 -2.537 1.00 1.06 C ATOM 278 CD1 LEU A 20 3.211 -1.262 -3.996 1.00 1.47 C ATOM 279 CD2 LEU A 20 1.783 -2.595 -2.402 1.00 1.44 C ATOM 0 H LEU A 20 4.376 -0.121 0.135 1.00 0.78 H new ATOM 0 HA LEU A 20 5.979 -2.293 -0.716 1.00 0.87 H new ATOM 0 HB2 LEU A 20 4.837 -2.811 -2.853 1.00 0.97 H new ATOM 0 HB3 LEU A 20 3.922 -3.321 -1.447 1.00 0.97 H new ATOM 0 HG LEU A 20 2.885 -0.796 -1.942 1.00 1.06 H new ATOM 0 HD11 LEU A 20 2.318 -0.739 -4.338 1.00 1.47 H new ATOM 0 HD12 LEU A 20 4.071 -0.596 -4.068 1.00 1.47 H new ATOM 0 HD13 LEU A 20 3.379 -2.140 -4.620 1.00 1.47 H new ATOM 0 HD21 LEU A 20 0.908 -2.066 -2.780 1.00 1.44 H new ATOM 0 HD22 LEU A 20 1.931 -3.509 -2.977 1.00 1.44 H new ATOM 0 HD23 LEU A 20 1.629 -2.847 -1.353 1.00 1.44 H new ATOM 291 N THR A 21 7.114 -0.924 -2.382 1.00 0.90 N ATOM 292 CA THR A 21 7.784 -0.193 -3.452 1.00 0.93 C ATOM 293 C THR A 21 6.947 -0.321 -4.713 1.00 1.05 C ATOM 294 O THR A 21 6.911 -1.374 -5.344 1.00 1.21 O ATOM 295 CB THR A 21 9.202 -0.723 -3.658 1.00 1.15 C ATOM 296 OG1 THR A 21 9.901 -0.494 -2.468 1.00 1.18 O ATOM 297 CG2 THR A 21 9.925 0.045 -4.757 1.00 1.43 C ATOM 0 H THR A 21 7.628 -1.746 -2.065 1.00 0.90 H new ATOM 0 HA THR A 21 7.877 0.861 -3.190 1.00 0.93 H new ATOM 0 HB THR A 21 9.154 -1.777 -3.932 1.00 1.15 H new ATOM 0 HG1 THR A 21 10.286 0.407 -2.483 1.00 1.18 H new ATOM 0 HG21 THR A 21 10.931 -0.356 -4.879 1.00 1.43 H new ATOM 0 HG22 THR A 21 9.377 -0.058 -5.694 1.00 1.43 H new ATOM 0 HG23 THR A 21 9.985 1.099 -4.485 1.00 1.43 H new ATOM 305 N LEU A 22 6.292 0.773 -5.094 1.00 1.25 N ATOM 306 CA LEU A 22 5.703 0.944 -6.409 1.00 1.39 C ATOM 307 C LEU A 22 6.839 1.329 -7.360 1.00 1.00 C ATOM 308 O LEU A 22 7.634 2.224 -7.049 1.00 0.83 O ATOM 309 CB LEU A 22 4.618 2.044 -6.311 1.00 1.69 C ATOM 310 CG LEU A 22 3.468 2.016 -7.331 1.00 2.11 C ATOM 311 CD1 LEU A 22 3.975 2.042 -8.772 1.00 2.23 C ATOM 312 CD2 LEU A 22 2.563 0.798 -7.113 1.00 2.70 C ATOM 0 H LEU A 22 6.156 1.578 -4.482 1.00 1.25 H new ATOM 0 HA LEU A 22 5.224 0.039 -6.782 1.00 1.39 H new ATOM 0 HB2 LEU A 22 4.181 1.994 -5.314 1.00 1.69 H new ATOM 0 HB3 LEU A 22 5.114 3.011 -6.394 1.00 1.69 H new ATOM 0 HG LEU A 22 2.884 2.922 -7.167 1.00 2.11 H new ATOM 0 HD11 LEU A 22 3.127 2.021 -9.457 1.00 2.23 H new ATOM 0 HD12 LEU A 22 4.553 2.951 -8.938 1.00 2.23 H new ATOM 0 HD13 LEU A 22 4.607 1.172 -8.951 1.00 2.23 H new ATOM 0 HD21 LEU A 22 1.759 0.806 -7.849 1.00 2.70 H new ATOM 0 HD22 LEU A 22 3.148 -0.115 -7.224 1.00 2.70 H new ATOM 0 HD23 LEU A 22 2.137 0.836 -6.110 1.00 2.70 H new ATOM 324 N GLU A 23 6.882 0.699 -8.529 1.00 1.15 N ATOM 325 CA GLU A 23 7.722 1.149 -9.630 1.00 1.09 C ATOM 326 C GLU A 23 6.951 1.226 -10.942 1.00 1.10 C ATOM 327 O GLU A 23 6.010 0.473 -11.199 1.00 1.44 O ATOM 328 CB GLU A 23 8.995 0.300 -9.780 1.00 1.48 C ATOM 329 CG GLU A 23 8.809 -1.115 -10.355 1.00 1.87 C ATOM 330 CD GLU A 23 10.166 -1.661 -10.786 1.00 2.45 C ATOM 331 OE1 GLU A 23 10.666 -1.227 -11.850 1.00 3.47 O ATOM 332 OE2 GLU A 23 10.816 -2.359 -9.979 1.00 2.63 O ATOM 0 H GLU A 23 6.336 -0.137 -8.739 1.00 1.15 H new ATOM 0 HA GLU A 23 8.040 2.160 -9.377 1.00 1.09 H new ATOM 0 HB2 GLU A 23 9.693 0.840 -10.420 1.00 1.48 H new ATOM 0 HB3 GLU A 23 9.464 0.212 -8.800 1.00 1.48 H new ATOM 0 HG2 GLU A 23 8.361 -1.769 -9.607 1.00 1.87 H new ATOM 0 HG3 GLU A 23 8.127 -1.089 -11.205 1.00 1.87 H new ATOM 339 N ASN A 24 7.414 2.133 -11.792 1.00 0.90 N ATOM 340 CA ASN A 24 7.054 2.237 -13.185 1.00 0.85 C ATOM 341 C ASN A 24 8.336 2.287 -14.033 1.00 0.79 C ATOM 342 O ASN A 24 8.939 3.354 -14.143 1.00 0.84 O ATOM 343 CB ASN A 24 6.215 3.504 -13.377 1.00 0.89 C ATOM 344 CG ASN A 24 5.720 3.628 -14.803 1.00 0.86 C ATOM 345 OD1 ASN A 24 5.683 2.669 -15.565 1.00 0.99 O ATOM 346 ND2 ASN A 24 5.309 4.817 -15.175 1.00 0.79 N ATOM 0 H ASN A 24 8.083 2.848 -11.507 1.00 0.90 H new ATOM 0 HA ASN A 24 6.468 1.374 -13.501 1.00 0.85 H new ATOM 0 HB2 ASN A 24 5.365 3.486 -12.695 1.00 0.89 H new ATOM 0 HB3 ASN A 24 6.811 4.379 -13.120 1.00 0.89 H new ATOM 0 HD21 ASN A 24 4.948 4.960 -16.118 1.00 0.79 H new ATOM 0 HD22 ASN A 24 5.351 5.599 -14.521 1.00 0.79 H new ATOM 353 N PRO A 25 8.775 1.171 -14.641 1.00 0.80 N ATOM 354 CA PRO A 25 9.903 1.175 -15.569 1.00 0.81 C ATOM 355 C PRO A 25 9.530 1.716 -16.960 1.00 0.82 C ATOM 356 O PRO A 25 10.416 1.883 -17.796 1.00 0.85 O ATOM 357 CB PRO A 25 10.358 -0.288 -15.623 1.00 0.93 C ATOM 358 CG PRO A 25 9.060 -1.064 -15.400 1.00 1.01 C ATOM 359 CD PRO A 25 8.300 -0.186 -14.410 1.00 0.91 C ATOM 0 HA PRO A 25 10.696 1.843 -15.233 1.00 0.81 H new ATOM 0 HB2 PRO A 25 10.814 -0.533 -16.582 1.00 0.93 H new ATOM 0 HB3 PRO A 25 11.097 -0.509 -14.853 1.00 0.93 H new ATOM 0 HG2 PRO A 25 8.505 -1.198 -16.329 1.00 1.01 H new ATOM 0 HG3 PRO A 25 9.249 -2.058 -14.995 1.00 1.01 H new ATOM 0 HD2 PRO A 25 7.224 -0.257 -14.570 1.00 0.91 H new ATOM 0 HD3 PRO A 25 8.491 -0.498 -13.383 1.00 0.91 H new ATOM 367 N GLY A 26 8.244 1.995 -17.224 1.00 0.83 N ATOM 368 CA GLY A 26 7.753 2.477 -18.517 1.00 0.88 C ATOM 369 C GLY A 26 7.935 3.979 -18.730 1.00 0.83 C ATOM 370 O GLY A 26 8.375 4.713 -17.848 1.00 0.83 O ATOM 0 H GLY A 26 7.505 1.889 -16.529 1.00 0.83 H new ATOM 0 HA2 GLY A 26 8.271 1.942 -19.313 1.00 0.88 H new ATOM 0 HA3 GLY A 26 6.694 2.233 -18.606 1.00 0.88 H new ATOM 374 N ASP A 27 7.608 4.408 -19.948 1.00 0.88 N ATOM 375 CA ASP A 27 7.860 5.751 -20.502 1.00 0.91 C ATOM 376 C ASP A 27 6.612 6.656 -20.508 1.00 0.91 C ATOM 377 O ASP A 27 6.700 7.845 -20.811 1.00 0.99 O ATOM 378 CB ASP A 27 8.429 5.566 -21.920 1.00 1.07 C ATOM 379 CG ASP A 27 9.742 4.778 -21.877 1.00 1.61 C ATOM 380 OD1 ASP A 27 9.690 3.537 -21.711 1.00 2.71 O ATOM 381 OD2 ASP A 27 10.823 5.401 -21.815 1.00 2.08 O ATOM 0 H ASP A 27 7.134 3.800 -20.616 1.00 0.88 H new ATOM 0 HA ASP A 27 8.573 6.269 -19.861 1.00 0.91 H new ATOM 0 HB2 ASP A 27 7.704 5.041 -22.543 1.00 1.07 H new ATOM 0 HB3 ASP A 27 8.598 6.540 -22.379 1.00 1.07 H new ATOM 386 N LEU A 28 5.461 6.112 -20.098 1.00 0.89 N ATOM 387 CA LEU A 28 4.231 6.838 -19.771 1.00 0.89 C ATOM 388 C LEU A 28 3.886 6.647 -18.273 1.00 0.81 C ATOM 389 O LEU A 28 4.429 5.723 -17.661 1.00 0.79 O ATOM 390 CB LEU A 28 3.143 6.410 -20.777 1.00 1.02 C ATOM 391 CG LEU A 28 2.689 4.933 -20.759 1.00 1.13 C ATOM 392 CD1 LEU A 28 1.802 4.592 -19.551 1.00 1.66 C ATOM 393 CD2 LEU A 28 1.897 4.650 -22.043 1.00 1.29 C ATOM 0 H LEU A 28 5.358 5.104 -19.980 1.00 0.89 H new ATOM 0 HA LEU A 28 4.338 7.917 -19.881 1.00 0.89 H new ATOM 0 HB2 LEU A 28 2.265 7.033 -20.606 1.00 1.02 H new ATOM 0 HB3 LEU A 28 3.505 6.637 -21.780 1.00 1.02 H new ATOM 0 HG LEU A 28 3.585 4.317 -20.689 1.00 1.13 H new ATOM 0 HD11 LEU A 28 1.516 3.541 -19.595 1.00 1.66 H new ATOM 0 HD12 LEU A 28 2.354 4.780 -18.630 1.00 1.66 H new ATOM 0 HD13 LEU A 28 0.906 5.213 -19.570 1.00 1.66 H new ATOM 0 HD21 LEU A 28 1.569 3.611 -22.046 1.00 1.29 H new ATOM 0 HD22 LEU A 28 1.027 5.305 -22.086 1.00 1.29 H new ATOM 0 HD23 LEU A 28 2.532 4.833 -22.910 1.00 1.29 H new ATOM 405 N PRO A 29 3.045 7.497 -17.648 1.00 0.82 N ATOM 406 CA PRO A 29 2.840 7.496 -16.198 1.00 0.77 C ATOM 407 C PRO A 29 1.880 6.376 -15.752 1.00 0.74 C ATOM 408 O PRO A 29 1.104 5.861 -16.558 1.00 0.84 O ATOM 409 CB PRO A 29 2.263 8.878 -15.871 1.00 0.84 C ATOM 410 CG PRO A 29 1.484 9.236 -17.135 1.00 0.93 C ATOM 411 CD PRO A 29 2.283 8.576 -18.261 1.00 0.92 C ATOM 0 HA PRO A 29 3.774 7.305 -15.669 1.00 0.77 H new ATOM 0 HB2 PRO A 29 1.616 8.848 -14.994 1.00 0.84 H new ATOM 0 HB3 PRO A 29 3.049 9.604 -15.663 1.00 0.84 H new ATOM 0 HG2 PRO A 29 0.463 8.857 -17.095 1.00 0.93 H new ATOM 0 HG3 PRO A 29 1.419 10.315 -17.271 1.00 0.93 H new ATOM 0 HD2 PRO A 29 1.618 8.191 -19.035 1.00 0.92 H new ATOM 0 HD3 PRO A 29 2.946 9.296 -18.740 1.00 0.92 H new ATOM 419 N LEU A 30 1.885 6.042 -14.452 1.00 0.66 N ATOM 420 CA LEU A 30 0.905 5.145 -13.825 1.00 0.65 C ATOM 421 C LEU A 30 0.023 5.912 -12.854 1.00 0.65 C ATOM 422 O LEU A 30 0.500 6.757 -12.106 1.00 0.80 O ATOM 423 CB LEU A 30 1.585 4.017 -13.044 1.00 0.76 C ATOM 424 CG LEU A 30 2.375 3.070 -13.941 1.00 0.73 C ATOM 425 CD1 LEU A 30 2.956 1.951 -13.081 1.00 1.81 C ATOM 426 CD2 LEU A 30 1.636 2.434 -15.123 1.00 1.80 C ATOM 0 H LEU A 30 2.583 6.395 -13.797 1.00 0.66 H new ATOM 0 HA LEU A 30 0.310 4.721 -14.634 1.00 0.65 H new ATOM 0 HB2 LEU A 30 2.255 4.449 -12.300 1.00 0.76 H new ATOM 0 HB3 LEU A 30 0.829 3.450 -12.501 1.00 0.76 H new ATOM 0 HG LEU A 30 3.127 3.710 -14.403 1.00 0.73 H new ATOM 0 HD11 LEU A 30 3.524 1.266 -13.710 1.00 1.81 H new ATOM 0 HD12 LEU A 30 3.614 2.378 -12.324 1.00 1.81 H new ATOM 0 HD13 LEU A 30 2.146 1.409 -12.594 1.00 1.81 H new ATOM 0 HD21 LEU A 30 2.318 1.786 -15.673 1.00 1.80 H new ATOM 0 HD22 LEU A 30 0.796 1.846 -14.753 1.00 1.80 H new ATOM 0 HD23 LEU A 30 1.267 3.217 -15.785 1.00 1.80 H new ATOM 438 N ARG A 31 -1.238 5.504 -12.788 1.00 0.61 N ATOM 439 CA ARG A 31 -2.211 5.934 -11.768 1.00 0.58 C ATOM 440 C ARG A 31 -2.750 4.708 -11.038 1.00 0.52 C ATOM 441 O ARG A 31 -3.400 3.875 -11.667 1.00 0.50 O ATOM 442 CB ARG A 31 -3.328 6.755 -12.429 1.00 0.65 C ATOM 443 CG ARG A 31 -4.418 7.252 -11.455 1.00 0.80 C ATOM 444 CD ARG A 31 -4.659 8.770 -11.509 1.00 0.71 C ATOM 445 NE ARG A 31 -5.068 9.222 -12.852 1.00 1.62 N ATOM 446 CZ ARG A 31 -4.578 10.259 -13.527 1.00 1.70 C ATOM 447 NH1 ARG A 31 -3.720 11.113 -13.023 1.00 1.92 N ATOM 448 NH2 ARG A 31 -4.964 10.453 -14.769 1.00 3.09 N ATOM 0 H ARG A 31 -1.633 4.845 -13.459 1.00 0.61 H new ATOM 0 HA ARG A 31 -1.730 6.576 -11.031 1.00 0.58 H new ATOM 0 HB2 ARG A 31 -2.883 7.617 -12.927 1.00 0.65 H new ATOM 0 HB3 ARG A 31 -3.799 6.148 -13.203 1.00 0.65 H new ATOM 0 HG2 ARG A 31 -5.353 6.738 -11.679 1.00 0.80 H new ATOM 0 HG3 ARG A 31 -4.137 6.975 -10.439 1.00 0.80 H new ATOM 0 HD2 ARG A 31 -5.429 9.040 -10.787 1.00 0.71 H new ATOM 0 HD3 ARG A 31 -3.748 9.291 -11.214 1.00 0.71 H new ATOM 0 HE ARG A 31 -5.803 8.684 -13.311 1.00 1.62 H new ATOM 0 HH11 ARG A 31 -3.393 11.001 -12.063 1.00 1.92 H new ATOM 0 HH12 ARG A 31 -3.380 11.889 -13.591 1.00 1.92 H new ATOM 0 HH21 ARG A 31 -5.630 9.813 -15.202 1.00 3.09 H new ATOM 0 HH22 ARG A 31 -4.597 11.243 -15.299 1.00 3.09 H new ATOM 462 N LEU A 32 -2.452 4.580 -9.746 1.00 0.55 N ATOM 463 CA LEU A 32 -2.747 3.432 -8.880 1.00 0.50 C ATOM 464 C LEU A 32 -4.069 3.684 -8.143 1.00 0.50 C ATOM 465 O LEU A 32 -4.167 4.625 -7.366 1.00 0.61 O ATOM 466 CB LEU A 32 -1.561 3.283 -7.908 1.00 0.52 C ATOM 467 CG LEU A 32 -1.700 2.173 -6.842 1.00 0.51 C ATOM 468 CD1 LEU A 32 -1.573 0.775 -7.463 1.00 0.60 C ATOM 469 CD2 LEU A 32 -0.609 2.367 -5.780 1.00 0.67 C ATOM 0 H LEU A 32 -1.967 5.321 -9.241 1.00 0.55 H new ATOM 0 HA LEU A 32 -2.866 2.508 -9.447 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -0.660 3.090 -8.491 1.00 0.52 H new ATOM 0 HB3 LEU A 32 -1.413 4.234 -7.397 1.00 0.52 H new ATOM 0 HG LEU A 32 -2.690 2.247 -6.391 1.00 0.51 H new ATOM 0 HD11 LEU A 32 -1.676 0.020 -6.684 1.00 0.60 H new ATOM 0 HD12 LEU A 32 -2.356 0.636 -8.209 1.00 0.60 H new ATOM 0 HD13 LEU A 32 -0.597 0.675 -7.938 1.00 0.60 H new ATOM 0 HD21 LEU A 32 -0.697 1.589 -5.022 1.00 0.67 H new ATOM 0 HD22 LEU A 32 0.372 2.306 -6.251 1.00 0.67 H new ATOM 0 HD23 LEU A 32 -0.726 3.344 -5.312 1.00 0.67 H new ATOM 481 N VAL A 33 -5.074 2.851 -8.386 1.00 0.45 N ATOM 482 CA VAL A 33 -6.471 3.084 -7.967 1.00 0.49 C ATOM 483 C VAL A 33 -6.989 2.017 -6.987 1.00 0.60 C ATOM 484 O VAL A 33 -8.103 2.130 -6.485 1.00 0.78 O ATOM 485 CB VAL A 33 -7.408 3.209 -9.199 1.00 0.49 C ATOM 486 CG1 VAL A 33 -6.974 4.371 -10.116 1.00 0.47 C ATOM 487 CG2 VAL A 33 -7.475 1.927 -10.048 1.00 0.54 C ATOM 0 H VAL A 33 -4.949 1.973 -8.890 1.00 0.45 H new ATOM 0 HA VAL A 33 -6.478 4.031 -7.427 1.00 0.49 H new ATOM 0 HB VAL A 33 -8.398 3.397 -8.784 1.00 0.49 H new ATOM 0 HG11 VAL A 33 -7.649 4.433 -10.969 1.00 0.47 H new ATOM 0 HG12 VAL A 33 -7.008 5.307 -9.558 1.00 0.47 H new ATOM 0 HG13 VAL A 33 -5.958 4.196 -10.469 1.00 0.47 H new ATOM 0 HG21 VAL A 33 -8.147 2.084 -10.892 1.00 0.54 H new ATOM 0 HG22 VAL A 33 -6.479 1.683 -10.418 1.00 0.54 H new ATOM 0 HG23 VAL A 33 -7.846 1.105 -9.437 1.00 0.54 H new ATOM 497 N GLY A 34 -6.190 0.976 -6.709 1.00 0.53 N ATOM 498 CA GLY A 34 -6.525 -0.103 -5.795 1.00 0.68 C ATOM 499 C GLY A 34 -5.420 -1.151 -5.752 1.00 0.53 C ATOM 500 O GLY A 34 -4.374 -1.015 -6.389 1.00 0.47 O ATOM 0 H GLY A 34 -5.268 0.867 -7.131 1.00 0.53 H new ATOM 0 HA2 GLY A 34 -6.686 0.300 -4.795 1.00 0.68 H new ATOM 0 HA3 GLY A 34 -7.460 -0.569 -6.105 1.00 0.68 H new ATOM 504 N ALA A 35 -5.687 -2.228 -5.030 1.00 0.55 N ATOM 505 CA ALA A 35 -4.867 -3.431 -4.980 1.00 0.50 C ATOM 506 C ALA A 35 -5.756 -4.659 -4.758 1.00 0.56 C ATOM 507 O ALA A 35 -6.966 -4.501 -4.604 1.00 0.74 O ATOM 508 CB ALA A 35 -3.834 -3.266 -3.865 1.00 0.70 C ATOM 0 H ALA A 35 -6.515 -2.292 -4.438 1.00 0.55 H new ATOM 0 HA ALA A 35 -4.342 -3.580 -5.924 1.00 0.50 H new ATOM 0 HB1 ALA A 35 -3.210 -4.158 -3.812 1.00 0.70 H new ATOM 0 HB2 ALA A 35 -3.209 -2.398 -4.074 1.00 0.70 H new ATOM 0 HB3 ALA A 35 -4.346 -3.124 -2.913 1.00 0.70 H new ATOM 514 N ARG A 36 -5.210 -5.879 -4.701 1.00 0.57 N ATOM 515 CA ARG A 36 -6.010 -7.069 -4.434 1.00 0.59 C ATOM 516 C ARG A 36 -5.038 -8.158 -3.981 1.00 0.61 C ATOM 517 O ARG A 36 -3.877 -8.127 -4.356 1.00 0.86 O ATOM 518 CB ARG A 36 -6.865 -7.345 -5.695 1.00 0.77 C ATOM 519 CG ARG A 36 -7.261 -8.790 -5.946 1.00 1.61 C ATOM 520 CD ARG A 36 -8.250 -9.360 -4.923 1.00 2.59 C ATOM 521 NE ARG A 36 -8.682 -10.733 -5.238 1.00 3.68 N ATOM 522 CZ ARG A 36 -7.935 -11.824 -5.400 1.00 4.88 C ATOM 523 NH1 ARG A 36 -6.617 -11.830 -5.484 1.00 5.64 N ATOM 524 NH2 ARG A 36 -8.561 -12.979 -5.498 1.00 6.01 N ATOM 0 H ARG A 36 -4.216 -6.063 -4.837 1.00 0.57 H new ATOM 0 HA ARG A 36 -6.738 -6.983 -3.627 1.00 0.59 H new ATOM 0 HB2 ARG A 36 -7.775 -6.749 -5.626 1.00 0.77 H new ATOM 0 HB3 ARG A 36 -6.315 -6.987 -6.565 1.00 0.77 H new ATOM 0 HG2 ARG A 36 -7.701 -8.866 -6.940 1.00 1.61 H new ATOM 0 HG3 ARG A 36 -6.362 -9.406 -5.947 1.00 1.61 H new ATOM 0 HD2 ARG A 36 -7.789 -9.348 -3.935 1.00 2.59 H new ATOM 0 HD3 ARG A 36 -9.126 -8.713 -4.873 1.00 2.59 H new ATOM 0 HE ARG A 36 -9.687 -10.866 -5.347 1.00 3.68 H new ATOM 0 HH11 ARG A 36 -6.098 -10.954 -5.425 1.00 5.64 H new ATOM 0 HH12 ARG A 36 -6.118 -12.711 -5.608 1.00 5.64 H new ATOM 0 HH21 ARG A 36 -9.579 -13.013 -5.449 1.00 6.01 H new ATOM 0 HH22 ARG A 36 -8.027 -13.839 -5.623 1.00 6.01 H new ATOM 538 N THR A 37 -5.450 -9.066 -3.102 1.00 0.56 N ATOM 539 CA THR A 37 -4.563 -9.989 -2.376 1.00 0.58 C ATOM 540 C THR A 37 -5.321 -11.294 -2.086 1.00 0.75 C ATOM 541 O THR A 37 -6.553 -11.248 -2.055 1.00 0.88 O ATOM 542 CB THR A 37 -4.084 -9.297 -1.087 1.00 0.52 C ATOM 543 OG1 THR A 37 -3.407 -10.216 -0.285 1.00 0.72 O ATOM 544 CG2 THR A 37 -5.197 -8.724 -0.206 1.00 0.56 C ATOM 0 H THR A 37 -6.434 -9.189 -2.864 1.00 0.56 H new ATOM 0 HA THR A 37 -3.686 -10.243 -2.971 1.00 0.58 H new ATOM 0 HB THR A 37 -3.463 -8.473 -1.439 1.00 0.52 H new ATOM 0 HG1 THR A 37 -2.901 -9.738 0.405 1.00 0.72 H new ATOM 0 HG21 THR A 37 -4.759 -8.258 0.677 1.00 0.56 H new ATOM 0 HG22 THR A 37 -5.759 -7.979 -0.769 1.00 0.56 H new ATOM 0 HG23 THR A 37 -5.867 -9.527 0.102 1.00 0.56 H new ATOM 552 N PRO A 38 -4.663 -12.447 -1.845 1.00 0.94 N ATOM 553 CA PRO A 38 -5.350 -13.652 -1.392 1.00 1.06 C ATOM 554 C PRO A 38 -5.731 -13.642 0.093 1.00 0.91 C ATOM 555 O PRO A 38 -6.530 -14.479 0.498 1.00 1.17 O ATOM 556 CB PRO A 38 -4.373 -14.785 -1.688 1.00 1.29 C ATOM 557 CG PRO A 38 -2.996 -14.145 -1.575 1.00 1.28 C ATOM 558 CD PRO A 38 -3.252 -12.732 -2.085 1.00 1.19 C ATOM 0 HA PRO A 38 -6.306 -13.751 -1.906 1.00 1.06 H new ATOM 0 HB2 PRO A 38 -4.489 -15.604 -0.978 1.00 1.29 H new ATOM 0 HB3 PRO A 38 -4.537 -15.200 -2.683 1.00 1.29 H new ATOM 0 HG2 PRO A 38 -2.630 -14.147 -0.548 1.00 1.28 H new ATOM 0 HG3 PRO A 38 -2.254 -14.667 -2.179 1.00 1.28 H new ATOM 0 HD2 PRO A 38 -2.618 -12.013 -1.566 1.00 1.19 H new ATOM 0 HD3 PRO A 38 -3.017 -12.656 -3.147 1.00 1.19 H new ATOM 566 N VAL A 39 -5.154 -12.744 0.901 1.00 0.68 N ATOM 567 CA VAL A 39 -5.302 -12.776 2.382 1.00 0.70 C ATOM 568 C VAL A 39 -6.312 -11.785 2.980 1.00 0.71 C ATOM 569 O VAL A 39 -6.466 -11.757 4.201 1.00 0.86 O ATOM 570 CB VAL A 39 -3.949 -12.656 3.128 1.00 0.81 C ATOM 571 CG1 VAL A 39 -2.919 -13.635 2.546 1.00 0.93 C ATOM 572 CG2 VAL A 39 -3.376 -11.231 3.129 1.00 0.81 C ATOM 0 H VAL A 39 -4.574 -11.977 0.562 1.00 0.68 H new ATOM 0 HA VAL A 39 -5.722 -13.768 2.548 1.00 0.70 H new ATOM 0 HB VAL A 39 -4.155 -12.913 4.167 1.00 0.81 H new ATOM 0 HG11 VAL A 39 -1.977 -13.534 3.084 1.00 0.93 H new ATOM 0 HG12 VAL A 39 -3.288 -14.655 2.649 1.00 0.93 H new ATOM 0 HG13 VAL A 39 -2.760 -13.411 1.491 1.00 0.93 H new ATOM 0 HG21 VAL A 39 -2.429 -11.220 3.668 1.00 0.81 H new ATOM 0 HG22 VAL A 39 -3.213 -10.904 2.102 1.00 0.81 H new ATOM 0 HG23 VAL A 39 -4.079 -10.556 3.617 1.00 0.81 H new ATOM 582 N ALA A 40 -7.025 -11.001 2.164 1.00 0.63 N ATOM 583 CA ALA A 40 -7.959 -9.976 2.644 1.00 0.62 C ATOM 584 C ALA A 40 -9.031 -9.609 1.609 1.00 0.72 C ATOM 585 O ALA A 40 -8.902 -9.946 0.433 1.00 1.02 O ATOM 586 CB ALA A 40 -7.168 -8.746 3.101 1.00 0.88 C ATOM 0 H ALA A 40 -6.970 -11.060 1.147 1.00 0.63 H new ATOM 0 HA ALA A 40 -8.506 -10.390 3.491 1.00 0.62 H new ATOM 0 HB1 ALA A 40 -7.858 -7.982 3.458 1.00 0.88 H new ATOM 0 HB2 ALA A 40 -6.490 -9.028 3.907 1.00 0.88 H new ATOM 0 HB3 ALA A 40 -6.592 -8.352 2.264 1.00 0.88 H new ATOM 592 N GLU A 41 -10.085 -8.947 2.091 1.00 0.75 N ATOM 593 CA GLU A 41 -11.329 -8.651 1.384 1.00 0.88 C ATOM 594 C GLU A 41 -11.387 -7.173 0.946 1.00 0.83 C ATOM 595 O GLU A 41 -11.077 -6.851 -0.205 1.00 1.13 O ATOM 596 CB GLU A 41 -12.496 -9.049 2.316 1.00 0.95 C ATOM 597 CG GLU A 41 -13.788 -9.369 1.565 1.00 1.25 C ATOM 598 CD GLU A 41 -13.653 -10.740 0.909 1.00 2.01 C ATOM 599 OE1 GLU A 41 -13.710 -11.749 1.645 1.00 2.75 O ATOM 600 OE2 GLU A 41 -13.314 -10.820 -0.295 1.00 2.84 O ATOM 0 H GLU A 41 -10.091 -8.582 3.043 1.00 0.75 H new ATOM 0 HA GLU A 41 -11.397 -9.224 0.459 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -12.201 -9.918 2.905 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -12.684 -8.237 3.018 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -14.635 -9.362 2.252 1.00 1.25 H new ATOM 0 HG3 GLU A 41 -13.983 -8.608 0.810 1.00 1.25 H new ATOM 607 N ARG A 42 -11.727 -6.249 1.859 1.00 0.70 N ATOM 608 CA ARG A 42 -11.736 -4.821 1.560 1.00 0.77 C ATOM 609 C ARG A 42 -10.291 -4.330 1.508 1.00 0.72 C ATOM 610 O ARG A 42 -9.612 -4.210 2.527 1.00 1.04 O ATOM 611 CB ARG A 42 -12.544 -4.005 2.589 1.00 0.96 C ATOM 612 CG ARG A 42 -13.735 -3.256 1.978 1.00 1.41 C ATOM 613 CD ARG A 42 -14.210 -2.176 2.959 1.00 1.40 C ATOM 614 NE ARG A 42 -15.419 -1.486 2.475 1.00 2.18 N ATOM 615 CZ ARG A 42 -15.770 -0.231 2.751 1.00 2.80 C ATOM 616 NH1 ARG A 42 -15.016 0.592 3.451 1.00 3.09 N ATOM 617 NH2 ARG A 42 -16.923 0.230 2.316 1.00 3.89 N ATOM 0 H ARG A 42 -12.000 -6.475 2.815 1.00 0.70 H new ATOM 0 HA ARG A 42 -12.228 -4.674 0.598 1.00 0.77 H new ATOM 0 HB2 ARG A 42 -12.908 -4.676 3.368 1.00 0.96 H new ATOM 0 HB3 ARG A 42 -11.882 -3.286 3.071 1.00 0.96 H new ATOM 0 HG2 ARG A 42 -13.446 -2.802 1.030 1.00 1.41 H new ATOM 0 HG3 ARG A 42 -14.546 -3.952 1.764 1.00 1.41 H new ATOM 0 HD2 ARG A 42 -14.415 -2.631 3.928 1.00 1.40 H new ATOM 0 HD3 ARG A 42 -13.413 -1.448 3.111 1.00 1.40 H new ATOM 0 HE ARG A 42 -16.046 -2.019 1.872 1.00 2.18 H new ATOM 0 HH11 ARG A 42 -14.115 0.277 3.810 1.00 3.09 H new ATOM 0 HH12 ARG A 42 -15.333 1.544 3.633 1.00 3.09 H new ATOM 0 HH21 ARG A 42 -17.541 -0.372 1.772 1.00 3.89 H new ATOM 0 HH22 ARG A 42 -17.199 1.190 2.523 1.00 3.89 H new ATOM 631 N VAL A 43 -9.876 -3.978 0.303 1.00 0.68 N ATOM 632 CA VAL A 43 -8.754 -3.077 0.043 1.00 0.82 C ATOM 633 C VAL A 43 -9.215 -1.613 0.111 1.00 0.77 C ATOM 634 O VAL A 43 -10.287 -1.285 -0.397 1.00 1.18 O ATOM 635 CB VAL A 43 -8.135 -3.399 -1.331 1.00 1.48 C ATOM 636 CG1 VAL A 43 -9.055 -3.003 -2.504 1.00 1.99 C ATOM 637 CG2 VAL A 43 -6.753 -2.751 -1.435 1.00 1.44 C ATOM 0 H VAL A 43 -10.320 -4.318 -0.550 1.00 0.68 H new ATOM 0 HA VAL A 43 -7.992 -3.223 0.809 1.00 0.82 H new ATOM 0 HB VAL A 43 -8.020 -4.480 -1.408 1.00 1.48 H new ATOM 0 HG11 VAL A 43 -8.569 -3.252 -3.447 1.00 1.99 H new ATOM 0 HG12 VAL A 43 -9.997 -3.545 -2.427 1.00 1.99 H new ATOM 0 HG13 VAL A 43 -9.249 -1.931 -2.468 1.00 1.99 H new ATOM 0 HG21 VAL A 43 -6.316 -2.979 -2.407 1.00 1.44 H new ATOM 0 HG22 VAL A 43 -6.848 -1.671 -1.325 1.00 1.44 H new ATOM 0 HG23 VAL A 43 -6.108 -3.140 -0.647 1.00 1.44 H new ATOM 647 N GLU A 44 -8.401 -0.739 0.701 1.00 0.61 N ATOM 648 CA GLU A 44 -8.579 0.720 0.670 1.00 0.62 C ATOM 649 C GLU A 44 -7.203 1.390 0.553 1.00 0.62 C ATOM 650 O GLU A 44 -6.358 1.153 1.418 1.00 0.62 O ATOM 651 CB GLU A 44 -9.270 1.211 1.963 1.00 0.61 C ATOM 652 CG GLU A 44 -10.670 0.628 2.215 1.00 0.78 C ATOM 653 CD GLU A 44 -11.344 1.157 3.487 1.00 1.11 C ATOM 654 OE1 GLU A 44 -10.905 2.200 4.019 1.00 1.96 O ATOM 655 OE2 GLU A 44 -12.346 0.520 3.894 1.00 2.00 O ATOM 0 H GLU A 44 -7.577 -1.029 1.228 1.00 0.61 H new ATOM 0 HA GLU A 44 -9.203 0.981 -0.185 1.00 0.62 H new ATOM 0 HB2 GLU A 44 -8.633 0.966 2.813 1.00 0.61 H new ATOM 0 HB3 GLU A 44 -9.347 2.298 1.925 1.00 0.61 H new ATOM 0 HG2 GLU A 44 -11.306 0.852 1.359 1.00 0.78 H new ATOM 0 HG3 GLU A 44 -10.594 -0.457 2.280 1.00 0.78 H new ATOM 662 N LEU A 45 -6.929 2.219 -0.471 1.00 0.67 N ATOM 663 CA LEU A 45 -5.695 3.002 -0.501 1.00 0.68 C ATOM 664 C LEU A 45 -5.812 4.229 0.400 1.00 0.57 C ATOM 665 O LEU A 45 -6.640 5.118 0.180 1.00 0.56 O ATOM 666 CB LEU A 45 -5.311 3.376 -1.940 1.00 0.81 C ATOM 667 CG LEU A 45 -3.805 3.712 -2.025 1.00 0.82 C ATOM 668 CD1 LEU A 45 -3.289 3.468 -3.431 1.00 1.03 C ATOM 669 CD2 LEU A 45 -3.471 5.174 -1.735 1.00 0.77 C ATOM 0 H LEU A 45 -7.541 2.358 -1.275 1.00 0.67 H new ATOM 0 HA LEU A 45 -4.887 2.386 -0.108 1.00 0.68 H new ATOM 0 HB2 LEU A 45 -5.544 2.550 -2.612 1.00 0.81 H new ATOM 0 HB3 LEU A 45 -5.900 4.232 -2.270 1.00 0.81 H new ATOM 0 HG LEU A 45 -3.345 3.072 -1.272 1.00 0.82 H new ATOM 0 HD11 LEU A 45 -2.227 3.709 -3.476 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -3.435 2.421 -3.695 1.00 1.03 H new ATOM 0 HD13 LEU A 45 -3.834 4.099 -4.133 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -2.394 5.324 -1.816 1.00 0.77 H new ATOM 0 HD22 LEU A 45 -3.982 5.814 -2.455 1.00 0.77 H new ATOM 0 HD23 LEU A 45 -3.798 5.429 -0.727 1.00 0.77 H new ATOM 681 N HIS A 46 -4.934 4.258 1.394 1.00 0.52 N ATOM 682 CA HIS A 46 -4.769 5.324 2.365 1.00 0.45 C ATOM 683 C HIS A 46 -3.411 6.038 2.209 1.00 0.46 C ATOM 684 O HIS A 46 -2.426 5.497 1.696 1.00 0.54 O ATOM 685 CB HIS A 46 -4.913 4.738 3.784 1.00 0.53 C ATOM 686 CG HIS A 46 -6.301 4.409 4.298 1.00 0.50 C ATOM 687 ND1 HIS A 46 -6.710 4.617 5.617 1.00 0.54 N ATOM 688 CD2 HIS A 46 -7.341 3.827 3.623 1.00 0.53 C ATOM 689 CE1 HIS A 46 -7.941 4.089 5.713 1.00 0.55 C ATOM 690 NE2 HIS A 46 -8.348 3.595 4.532 1.00 0.54 N ATOM 0 H HIS A 46 -4.280 3.491 1.550 1.00 0.52 H new ATOM 0 HA HIS A 46 -5.543 6.072 2.193 1.00 0.45 H new ATOM 0 HB2 HIS A 46 -4.320 3.825 3.826 1.00 0.53 H new ATOM 0 HB3 HIS A 46 -4.461 5.444 4.481 1.00 0.53 H new ATOM 0 HD2 HIS A 46 -7.366 3.593 2.569 1.00 0.53 H new ATOM 0 HE1 HIS A 46 -8.527 4.065 6.620 1.00 0.55 H new ATOM 0 HE2 HIS A 46 -9.238 3.134 4.344 1.00 0.54 H new ATOM 698 N GLU A 47 -3.377 7.269 2.703 1.00 0.48 N ATOM 699 CA GLU A 47 -2.168 8.055 2.933 1.00 0.58 C ATOM 700 C GLU A 47 -1.942 8.259 4.435 1.00 0.55 C ATOM 701 O GLU A 47 -2.850 8.017 5.235 1.00 0.52 O ATOM 702 CB GLU A 47 -2.254 9.396 2.193 1.00 0.75 C ATOM 703 CG GLU A 47 -3.534 10.151 2.535 1.00 0.79 C ATOM 704 CD GLU A 47 -3.409 11.614 2.167 1.00 1.13 C ATOM 705 OE1 GLU A 47 -3.380 11.955 0.969 1.00 2.20 O ATOM 706 OE2 GLU A 47 -3.516 12.437 3.103 1.00 1.86 O ATOM 0 H GLU A 47 -4.226 7.769 2.966 1.00 0.48 H new ATOM 0 HA GLU A 47 -1.311 7.509 2.537 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -1.391 10.009 2.451 1.00 0.75 H new ATOM 0 HB3 GLU A 47 -2.211 9.221 1.118 1.00 0.75 H new ATOM 0 HG2 GLU A 47 -4.376 9.708 2.003 1.00 0.79 H new ATOM 0 HG3 GLU A 47 -3.744 10.056 3.600 1.00 0.79 H new ATOM 713 N THR A 48 -0.745 8.733 4.798 1.00 0.84 N ATOM 714 CA THR A 48 -0.366 9.158 6.149 1.00 0.96 C ATOM 715 C THR A 48 0.110 10.597 6.057 1.00 1.05 C ATOM 716 O THR A 48 1.136 10.859 5.428 1.00 1.13 O ATOM 717 CB THR A 48 0.764 8.293 6.702 1.00 1.09 C ATOM 718 OG1 THR A 48 0.405 6.935 6.665 1.00 1.21 O ATOM 719 CG2 THR A 48 1.100 8.652 8.149 1.00 1.26 C ATOM 0 H THR A 48 0.018 8.835 4.129 1.00 0.84 H new ATOM 0 HA THR A 48 -1.222 9.060 6.816 1.00 0.96 H new ATOM 0 HB THR A 48 1.636 8.478 6.075 1.00 1.09 H new ATOM 0 HG1 THR A 48 1.213 6.382 6.711 1.00 1.21 H new ATOM 0 HG21 THR A 48 1.909 8.013 8.504 1.00 1.26 H new ATOM 0 HG22 THR A 48 1.412 9.695 8.202 1.00 1.26 H new ATOM 0 HG23 THR A 48 0.220 8.504 8.774 1.00 1.26 H new ATOM 727 N PHE A 49 -0.620 11.517 6.684 1.00 1.23 N ATOM 728 CA PHE A 49 -0.453 12.959 6.497 1.00 1.29 C ATOM 729 C PHE A 49 -0.109 13.690 7.797 1.00 1.27 C ATOM 730 O PHE A 49 -0.498 13.286 8.895 1.00 1.24 O ATOM 731 CB PHE A 49 -1.732 13.539 5.874 1.00 1.31 C ATOM 732 CG PHE A 49 -2.980 13.383 6.725 1.00 1.26 C ATOM 733 CD1 PHE A 49 -3.737 12.201 6.649 1.00 2.30 C ATOM 734 CD2 PHE A 49 -3.368 14.400 7.619 1.00 1.82 C ATOM 735 CE1 PHE A 49 -4.865 12.033 7.466 1.00 2.33 C ATOM 736 CE2 PHE A 49 -4.512 14.243 8.420 1.00 1.81 C ATOM 737 CZ PHE A 49 -5.266 13.061 8.329 1.00 1.28 C ATOM 0 H PHE A 49 -1.357 11.279 7.348 1.00 1.23 H new ATOM 0 HA PHE A 49 0.393 13.112 5.827 1.00 1.29 H new ATOM 0 HB2 PHE A 49 -1.575 14.599 5.675 1.00 1.31 H new ATOM 0 HB3 PHE A 49 -1.902 13.056 4.912 1.00 1.31 H new ATOM 0 HD1 PHE A 49 -3.450 11.420 5.960 1.00 2.30 H new ATOM 0 HD2 PHE A 49 -2.783 15.305 7.689 1.00 1.82 H new ATOM 0 HE1 PHE A 49 -5.425 11.110 7.430 1.00 2.33 H new ATOM 0 HE2 PHE A 49 -4.810 15.026 9.101 1.00 1.81 H new ATOM 0 HZ PHE A 49 -6.158 12.945 8.927 1.00 1.28 H new ATOM 747 N MET A 50 0.586 14.821 7.656 1.00 1.35 N ATOM 748 CA MET A 50 0.869 15.793 8.718 1.00 1.38 C ATOM 749 C MET A 50 -0.048 17.019 8.578 1.00 1.34 C ATOM 750 O MET A 50 -0.331 17.451 7.461 1.00 1.62 O ATOM 751 CB MET A 50 2.340 16.218 8.609 1.00 1.58 C ATOM 752 CG MET A 50 3.320 15.066 8.887 1.00 3.16 C ATOM 753 SD MET A 50 4.979 15.289 8.195 1.00 3.65 S ATOM 754 CE MET A 50 5.379 16.917 8.863 1.00 3.72 C ATOM 0 H MET A 50 0.985 15.098 6.759 1.00 1.35 H new ATOM 0 HA MET A 50 0.683 15.340 9.692 1.00 1.38 H new ATOM 0 HB2 MET A 50 2.525 16.612 7.610 1.00 1.58 H new ATOM 0 HB3 MET A 50 2.531 17.028 9.312 1.00 1.58 H new ATOM 0 HG2 MET A 50 3.407 14.935 9.966 1.00 3.16 H new ATOM 0 HG3 MET A 50 2.897 14.144 8.487 1.00 3.16 H new ATOM 0 HE1 MET A 50 6.436 17.127 8.700 1.00 3.72 H new ATOM 0 HE2 MET A 50 4.777 17.674 8.361 1.00 3.72 H new ATOM 0 HE3 MET A 50 5.166 16.934 9.932 1.00 3.72 H new ATOM 764 N ARG A 51 -0.505 17.588 9.699 1.00 1.35 N ATOM 765 CA ARG A 51 -1.427 18.727 9.751 1.00 1.39 C ATOM 766 C ARG A 51 -1.329 19.471 11.094 1.00 1.43 C ATOM 767 O ARG A 51 -1.208 18.828 12.138 1.00 1.40 O ATOM 768 CB ARG A 51 -2.848 18.177 9.541 1.00 1.55 C ATOM 769 CG ARG A 51 -3.904 19.274 9.381 1.00 2.42 C ATOM 770 CD ARG A 51 -5.307 18.677 9.408 1.00 2.99 C ATOM 771 NE ARG A 51 -6.317 19.748 9.335 1.00 4.25 N ATOM 772 CZ ARG A 51 -7.635 19.601 9.351 1.00 5.44 C ATOM 773 NH1 ARG A 51 -8.201 18.419 9.491 1.00 5.80 N ATOM 774 NH2 ARG A 51 -8.410 20.657 9.218 1.00 6.65 N ATOM 0 H ARG A 51 -0.234 17.257 10.625 1.00 1.35 H new ATOM 0 HA ARG A 51 -1.171 19.448 8.975 1.00 1.39 H new ATOM 0 HB2 ARG A 51 -2.857 17.542 8.655 1.00 1.55 H new ATOM 0 HB3 ARG A 51 -3.115 17.546 10.389 1.00 1.55 H new ATOM 0 HG2 ARG A 51 -3.799 20.007 10.181 1.00 2.42 H new ATOM 0 HG3 ARG A 51 -3.746 19.804 8.441 1.00 2.42 H new ATOM 0 HD2 ARG A 51 -5.434 17.990 8.572 1.00 2.99 H new ATOM 0 HD3 ARG A 51 -5.446 18.097 10.321 1.00 2.99 H new ATOM 0 HE ARG A 51 -5.965 20.703 9.265 1.00 4.25 H new ATOM 0 HH11 ARG A 51 -7.622 17.585 9.591 1.00 5.80 H new ATOM 0 HH12 ARG A 51 -9.218 18.338 9.499 1.00 5.80 H new ATOM 0 HH21 ARG A 51 -7.996 21.582 9.103 1.00 6.65 H new ATOM 0 HH22 ARG A 51 -9.424 20.550 9.230 1.00 6.65 H new ATOM 788 N GLU A 52 -1.481 20.795 11.095 1.00 1.58 N ATOM 789 CA GLU A 52 -1.686 21.562 12.328 1.00 1.63 C ATOM 790 C GLU A 52 -3.174 21.659 12.676 1.00 1.54 C ATOM 791 O GLU A 52 -4.013 21.885 11.804 1.00 1.67 O ATOM 792 CB GLU A 52 -1.050 22.957 12.237 1.00 1.98 C ATOM 793 CG GLU A 52 0.318 23.003 12.929 1.00 2.67 C ATOM 794 CD GLU A 52 1.405 22.220 12.192 1.00 3.26 C ATOM 795 OE1 GLU A 52 1.326 20.968 12.120 1.00 4.19 O ATOM 796 OE2 GLU A 52 2.413 22.829 11.775 1.00 3.70 O ATOM 0 H GLU A 52 -1.466 21.365 10.249 1.00 1.58 H new ATOM 0 HA GLU A 52 -1.186 21.025 13.134 1.00 1.63 H new ATOM 0 HB2 GLU A 52 -0.938 23.238 11.190 1.00 1.98 H new ATOM 0 HB3 GLU A 52 -1.714 23.690 12.695 1.00 1.98 H new ATOM 0 HG2 GLU A 52 0.632 24.042 13.025 1.00 2.67 H new ATOM 0 HG3 GLU A 52 0.218 22.606 13.939 1.00 2.67 H new ATOM 803 N VAL A 53 -3.487 21.498 13.961 1.00 1.56 N ATOM 804 CA VAL A 53 -4.841 21.595 14.536 1.00 1.61 C ATOM 805 C VAL A 53 -4.697 22.169 15.945 1.00 2.09 C ATOM 806 O VAL A 53 -3.885 21.669 16.716 1.00 3.72 O ATOM 807 CB VAL A 53 -5.556 20.218 14.595 1.00 1.52 C ATOM 808 CG1 VAL A 53 -6.987 20.372 15.147 1.00 1.88 C ATOM 809 CG2 VAL A 53 -5.652 19.515 13.227 1.00 2.32 C ATOM 0 H VAL A 53 -2.779 21.287 14.665 1.00 1.56 H new ATOM 0 HA VAL A 53 -5.454 22.236 13.903 1.00 1.61 H new ATOM 0 HB VAL A 53 -4.942 19.603 15.253 1.00 1.52 H new ATOM 0 HG11 VAL A 53 -7.471 19.396 15.180 1.00 1.88 H new ATOM 0 HG12 VAL A 53 -6.946 20.791 16.152 1.00 1.88 H new ATOM 0 HG13 VAL A 53 -7.557 21.038 14.499 1.00 1.88 H new ATOM 0 HG21 VAL A 53 -6.163 18.559 13.344 1.00 2.32 H new ATOM 0 HG22 VAL A 53 -6.211 20.143 12.534 1.00 2.32 H new ATOM 0 HG23 VAL A 53 -4.650 19.345 12.834 1.00 2.32 H new ATOM 819 N GLU A 54 -5.420 23.254 16.256 1.00 1.45 N ATOM 820 CA GLU A 54 -5.285 24.021 17.514 1.00 1.63 C ATOM 821 C GLU A 54 -3.881 24.667 17.652 1.00 1.70 C ATOM 822 O GLU A 54 -3.414 24.940 18.754 1.00 1.90 O ATOM 823 CB GLU A 54 -5.634 23.130 18.729 1.00 1.78 C ATOM 824 CG GLU A 54 -6.214 23.911 19.923 1.00 2.27 C ATOM 825 CD GLU A 54 -6.088 23.121 21.226 1.00 2.63 C ATOM 826 OE1 GLU A 54 -6.152 21.869 21.193 1.00 3.12 O ATOM 827 OE2 GLU A 54 -5.763 23.718 22.277 1.00 3.24 O ATOM 0 H GLU A 54 -6.131 23.635 15.631 1.00 1.45 H new ATOM 0 HA GLU A 54 -5.999 24.844 17.485 1.00 1.63 H new ATOM 0 HB2 GLU A 54 -6.353 22.372 18.418 1.00 1.78 H new ATOM 0 HB3 GLU A 54 -4.736 22.604 19.052 1.00 1.78 H new ATOM 0 HG2 GLU A 54 -5.694 24.864 20.023 1.00 2.27 H new ATOM 0 HG3 GLU A 54 -7.263 24.139 19.735 1.00 2.27 H new ATOM 834 N GLY A 55 -3.155 24.831 16.534 1.00 1.74 N ATOM 835 CA GLY A 55 -1.738 25.234 16.504 1.00 1.98 C ATOM 836 C GLY A 55 -0.761 24.089 16.806 1.00 2.03 C ATOM 837 O GLY A 55 0.445 24.234 16.620 1.00 2.40 O ATOM 0 H GLY A 55 -3.546 24.684 15.603 1.00 1.74 H new ATOM 0 HA2 GLY A 55 -1.508 25.646 15.521 1.00 1.98 H new ATOM 0 HA3 GLY A 55 -1.582 26.033 17.229 1.00 1.98 H new ATOM 841 N LYS A 56 -1.262 22.930 17.239 1.00 1.81 N ATOM 842 CA LYS A 56 -0.493 21.748 17.602 1.00 1.98 C ATOM 843 C LYS A 56 -0.283 20.860 16.366 1.00 1.82 C ATOM 844 O LYS A 56 -1.170 20.749 15.514 1.00 1.52 O ATOM 845 CB LYS A 56 -1.258 21.005 18.713 1.00 2.04 C ATOM 846 CG LYS A 56 -1.507 21.867 19.968 1.00 2.39 C ATOM 847 CD LYS A 56 -2.499 21.207 20.934 1.00 2.96 C ATOM 848 CE LYS A 56 -2.877 22.218 22.023 1.00 2.97 C ATOM 849 NZ LYS A 56 -4.023 21.755 22.836 1.00 3.32 N ATOM 0 H LYS A 56 -2.266 22.788 17.350 1.00 1.81 H new ATOM 0 HA LYS A 56 0.494 22.025 17.972 1.00 1.98 H new ATOM 0 HB2 LYS A 56 -2.216 20.665 18.319 1.00 2.04 H new ATOM 0 HB3 LYS A 56 -0.696 20.115 18.998 1.00 2.04 H new ATOM 0 HG2 LYS A 56 -0.561 22.040 20.482 1.00 2.39 H new ATOM 0 HG3 LYS A 56 -1.889 22.843 19.667 1.00 2.39 H new ATOM 0 HD2 LYS A 56 -3.389 20.881 20.396 1.00 2.96 H new ATOM 0 HD3 LYS A 56 -2.055 20.318 21.382 1.00 2.96 H new ATOM 0 HE2 LYS A 56 -2.018 22.390 22.672 1.00 2.97 H new ATOM 0 HE3 LYS A 56 -3.123 23.174 21.561 1.00 2.97 H new ATOM 0 HZ1 LYS A 56 -4.618 22.569 23.093 1.00 3.32 H new ATOM 0 HZ2 LYS A 56 -4.586 21.074 22.287 1.00 3.32 H new ATOM 0 HZ3 LYS A 56 -3.672 21.296 23.701 1.00 3.32 H new ATOM 863 N LYS A 57 0.882 20.216 16.252 1.00 2.10 N ATOM 864 CA LYS A 57 1.217 19.352 15.109 1.00 2.00 C ATOM 865 C LYS A 57 0.604 17.949 15.283 1.00 1.73 C ATOM 866 O LYS A 57 0.948 17.252 16.234 1.00 2.00 O ATOM 867 CB LYS A 57 2.747 19.287 14.913 1.00 2.52 C ATOM 868 CG LYS A 57 3.394 20.684 14.825 1.00 2.63 C ATOM 869 CD LYS A 57 4.809 20.704 14.224 1.00 3.36 C ATOM 870 CE LYS A 57 4.941 20.118 12.806 1.00 3.69 C ATOM 871 NZ LYS A 57 4.053 20.778 11.818 1.00 4.02 N ATOM 0 H LYS A 57 1.623 20.277 16.950 1.00 2.10 H new ATOM 0 HA LYS A 57 0.785 19.784 14.207 1.00 2.00 H new ATOM 0 HB2 LYS A 57 3.192 18.736 15.741 1.00 2.52 H new ATOM 0 HB3 LYS A 57 2.970 18.730 14.003 1.00 2.52 H new ATOM 0 HG2 LYS A 57 2.751 21.329 14.226 1.00 2.63 H new ATOM 0 HG3 LYS A 57 3.434 21.114 15.826 1.00 2.63 H new ATOM 0 HD2 LYS A 57 5.161 21.735 14.205 1.00 3.36 H new ATOM 0 HD3 LYS A 57 5.474 20.152 14.889 1.00 3.36 H new ATOM 0 HE2 LYS A 57 5.975 20.212 12.475 1.00 3.69 H new ATOM 0 HE3 LYS A 57 4.712 19.053 12.837 1.00 3.69 H new ATOM 0 HZ1 LYS A 57 4.427 20.627 10.859 1.00 4.02 H new ATOM 0 HZ2 LYS A 57 3.098 20.373 11.885 1.00 4.02 H new ATOM 0 HZ3 LYS A 57 4.011 21.798 12.016 1.00 4.02 H new ATOM 885 N VAL A 58 -0.273 17.530 14.373 1.00 1.36 N ATOM 886 CA VAL A 58 -1.044 16.274 14.419 1.00 1.19 C ATOM 887 C VAL A 58 -0.748 15.439 13.167 1.00 1.11 C ATOM 888 O VAL A 58 -0.447 15.992 12.107 1.00 1.22 O ATOM 889 CB VAL A 58 -2.559 16.579 14.543 1.00 1.07 C ATOM 890 CG1 VAL A 58 -3.446 15.322 14.523 1.00 1.53 C ATOM 891 CG2 VAL A 58 -2.858 17.357 15.839 1.00 1.42 C ATOM 0 H VAL A 58 -0.481 18.079 13.539 1.00 1.36 H new ATOM 0 HA VAL A 58 -0.746 15.698 15.295 1.00 1.19 H new ATOM 0 HB VAL A 58 -2.802 17.177 13.664 1.00 1.07 H new ATOM 0 HG11 VAL A 58 -4.492 15.614 14.614 1.00 1.53 H new ATOM 0 HG12 VAL A 58 -3.298 14.787 13.585 1.00 1.53 H new ATOM 0 HG13 VAL A 58 -3.176 14.673 15.356 1.00 1.53 H new ATOM 0 HG21 VAL A 58 -3.927 17.559 15.904 1.00 1.42 H new ATOM 0 HG22 VAL A 58 -2.548 16.764 16.699 1.00 1.42 H new ATOM 0 HG23 VAL A 58 -2.310 18.299 15.832 1.00 1.42 H new ATOM 901 N MET A 59 -0.837 14.111 13.276 1.00 1.20 N ATOM 902 CA MET A 59 -0.698 13.167 12.158 1.00 1.13 C ATOM 903 C MET A 59 -1.789 12.095 12.217 1.00 1.24 C ATOM 904 O MET A 59 -2.176 11.668 13.306 1.00 1.50 O ATOM 905 CB MET A 59 0.689 12.505 12.188 1.00 1.17 C ATOM 906 CG MET A 59 1.796 13.460 11.719 1.00 1.90 C ATOM 907 SD MET A 59 3.314 13.472 12.707 1.00 2.81 S ATOM 908 CE MET A 59 2.687 14.257 14.216 1.00 3.27 C ATOM 0 H MET A 59 -1.012 13.648 14.168 1.00 1.20 H new ATOM 0 HA MET A 59 -0.806 13.723 11.227 1.00 1.13 H new ATOM 0 HB2 MET A 59 0.907 12.168 13.201 1.00 1.17 H new ATOM 0 HB3 MET A 59 0.681 11.620 11.552 1.00 1.17 H new ATOM 0 HG2 MET A 59 2.058 13.203 10.692 1.00 1.90 H new ATOM 0 HG3 MET A 59 1.391 14.472 11.701 1.00 1.90 H new ATOM 0 HE1 MET A 59 3.519 14.475 14.885 1.00 3.27 H new ATOM 0 HE2 MET A 59 2.176 15.184 13.958 1.00 3.27 H new ATOM 0 HE3 MET A 59 1.989 13.584 14.713 1.00 3.27 H new ATOM 918 N GLY A 60 -2.271 11.658 11.053 1.00 1.23 N ATOM 919 CA GLY A 60 -3.254 10.575 10.932 1.00 1.45 C ATOM 920 C GLY A 60 -3.201 9.869 9.581 1.00 1.26 C ATOM 921 O GLY A 60 -2.432 10.259 8.704 1.00 1.35 O ATOM 0 H GLY A 60 -1.988 12.050 10.155 1.00 1.23 H new ATOM 0 HA2 GLY A 60 -3.082 9.846 11.724 1.00 1.45 H new ATOM 0 HA3 GLY A 60 -4.254 10.981 11.084 1.00 1.45 H new ATOM 925 N MET A 61 -4.038 8.840 9.427 1.00 1.22 N ATOM 926 CA MET A 61 -4.228 8.090 8.180 1.00 1.02 C ATOM 927 C MET A 61 -5.658 8.270 7.658 1.00 0.97 C ATOM 928 O MET A 61 -6.582 8.481 8.447 1.00 1.19 O ATOM 929 CB MET A 61 -3.936 6.592 8.387 1.00 1.12 C ATOM 930 CG MET A 61 -2.468 6.271 8.693 1.00 1.30 C ATOM 931 SD MET A 61 -1.885 6.620 10.373 1.00 1.68 S ATOM 932 CE MET A 61 -0.277 5.798 10.259 1.00 1.88 C ATOM 0 H MET A 61 -4.621 8.494 10.189 1.00 1.22 H new ATOM 0 HA MET A 61 -3.526 8.483 7.444 1.00 1.02 H new ATOM 0 HB2 MET A 61 -4.554 6.223 9.205 1.00 1.12 H new ATOM 0 HB3 MET A 61 -4.235 6.048 7.491 1.00 1.12 H new ATOM 0 HG2 MET A 61 -2.303 5.213 8.490 1.00 1.30 H new ATOM 0 HG3 MET A 61 -1.846 6.831 7.995 1.00 1.30 H new ATOM 0 HE1 MET A 61 0.280 5.959 11.182 1.00 1.88 H new ATOM 0 HE2 MET A 61 -0.425 4.729 10.106 1.00 1.88 H new ATOM 0 HE3 MET A 61 0.284 6.210 9.420 1.00 1.88 H new ATOM 942 N ARG A 62 -5.850 8.186 6.337 1.00 0.74 N ATOM 943 CA ARG A 62 -7.165 8.312 5.678 1.00 0.68 C ATOM 944 C ARG A 62 -7.145 7.803 4.232 1.00 0.45 C ATOM 945 O ARG A 62 -6.116 7.977 3.569 1.00 0.42 O ATOM 946 CB ARG A 62 -7.705 9.759 5.758 1.00 0.99 C ATOM 947 CG ARG A 62 -6.831 10.852 5.111 1.00 1.81 C ATOM 948 CD ARG A 62 -7.189 11.184 3.662 1.00 2.36 C ATOM 949 NE ARG A 62 -6.289 12.219 3.135 1.00 3.40 N ATOM 950 CZ ARG A 62 -6.521 13.155 2.227 1.00 4.10 C ATOM 951 NH1 ARG A 62 -7.717 13.392 1.728 1.00 3.91 N ATOM 952 NH2 ARG A 62 -5.497 13.862 1.815 1.00 5.62 N ATOM 0 H ARG A 62 -5.086 8.026 5.680 1.00 0.74 H new ATOM 0 HA ARG A 62 -7.852 7.670 6.229 1.00 0.68 H new ATOM 0 HB2 ARG A 62 -8.688 9.784 5.287 1.00 0.99 H new ATOM 0 HB3 ARG A 62 -7.848 10.013 6.808 1.00 0.99 H new ATOM 0 HG2 ARG A 62 -6.910 11.761 5.707 1.00 1.81 H new ATOM 0 HG3 ARG A 62 -5.789 10.535 5.150 1.00 1.81 H new ATOM 0 HD2 ARG A 62 -7.119 10.286 3.049 1.00 2.36 H new ATOM 0 HD3 ARG A 62 -8.222 11.528 3.606 1.00 2.36 H new ATOM 0 HE ARG A 62 -5.347 12.216 3.526 1.00 3.40 H new ATOM 0 HH11 ARG A 62 -8.518 12.842 2.040 1.00 3.91 H new ATOM 0 HH12 ARG A 62 -7.842 14.125 1.030 1.00 3.91 H new ATOM 0 HH21 ARG A 62 -4.567 13.681 2.193 1.00 5.62 H new ATOM 0 HH22 ARG A 62 -5.630 14.593 1.117 1.00 5.62 H new ATOM 966 N PRO A 63 -8.253 7.234 3.710 1.00 0.43 N ATOM 967 CA PRO A 63 -8.324 6.806 2.326 1.00 0.43 C ATOM 968 C PRO A 63 -8.371 7.984 1.350 1.00 0.46 C ATOM 969 O PRO A 63 -8.846 9.071 1.678 1.00 0.53 O ATOM 970 CB PRO A 63 -9.521 5.873 2.182 1.00 0.46 C ATOM 971 CG PRO A 63 -10.314 6.024 3.473 1.00 0.59 C ATOM 972 CD PRO A 63 -9.501 6.935 4.397 1.00 0.50 C ATOM 0 HA PRO A 63 -7.413 6.268 2.062 1.00 0.43 H new ATOM 0 HB2 PRO A 63 -10.126 6.142 1.316 1.00 0.46 H new ATOM 0 HB3 PRO A 63 -9.199 4.842 2.038 1.00 0.46 H new ATOM 0 HG2 PRO A 63 -11.295 6.454 3.274 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -10.480 5.053 3.939 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -10.050 7.851 4.616 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -9.308 6.444 5.351 1.00 0.50 H new ATOM 980 N VAL A 64 -7.886 7.722 0.136 1.00 0.51 N ATOM 981 CA VAL A 64 -7.861 8.643 -1.014 1.00 0.55 C ATOM 982 C VAL A 64 -8.459 7.966 -2.255 1.00 0.57 C ATOM 983 O VAL A 64 -8.490 6.736 -2.306 1.00 0.57 O ATOM 984 CB VAL A 64 -6.424 9.120 -1.345 1.00 0.59 C ATOM 985 CG1 VAL A 64 -6.098 10.379 -0.538 1.00 0.68 C ATOM 986 CG2 VAL A 64 -5.346 8.042 -1.142 1.00 0.61 C ATOM 0 H VAL A 64 -7.477 6.815 -0.089 1.00 0.51 H new ATOM 0 HA VAL A 64 -8.458 9.512 -0.737 1.00 0.55 H new ATOM 0 HB VAL A 64 -6.408 9.347 -2.411 1.00 0.59 H new ATOM 0 HG11 VAL A 64 -5.087 10.711 -0.774 1.00 0.68 H new ATOM 0 HG12 VAL A 64 -6.807 11.167 -0.791 1.00 0.68 H new ATOM 0 HG13 VAL A 64 -6.168 10.157 0.527 1.00 0.68 H new ATOM 0 HG21 VAL A 64 -4.368 8.453 -1.394 1.00 0.61 H new ATOM 0 HG22 VAL A 64 -5.346 7.719 -0.101 1.00 0.61 H new ATOM 0 HG23 VAL A 64 -5.558 7.189 -1.787 1.00 0.61 H new ATOM 996 N PRO A 65 -8.918 8.734 -3.265 1.00 0.61 N ATOM 997 CA PRO A 65 -9.487 8.167 -4.482 1.00 0.67 C ATOM 998 C PRO A 65 -8.448 7.473 -5.373 1.00 0.64 C ATOM 999 O PRO A 65 -8.862 6.696 -6.229 1.00 0.71 O ATOM 1000 CB PRO A 65 -10.150 9.344 -5.205 1.00 0.73 C ATOM 1001 CG PRO A 65 -9.315 10.542 -4.760 1.00 0.69 C ATOM 1002 CD PRO A 65 -8.984 10.190 -3.311 1.00 0.64 C ATOM 0 HA PRO A 65 -10.198 7.378 -4.238 1.00 0.67 H new ATOM 0 HB2 PRO A 65 -10.126 9.217 -6.287 1.00 0.73 H new ATOM 0 HB3 PRO A 65 -11.196 9.454 -4.920 1.00 0.73 H new ATOM 0 HG2 PRO A 65 -8.416 10.658 -5.365 1.00 0.69 H new ATOM 0 HG3 PRO A 65 -9.872 11.476 -4.834 1.00 0.69 H new ATOM 0 HD2 PRO A 65 -8.037 10.635 -3.006 1.00 0.64 H new ATOM 0 HD3 PRO A 65 -9.747 10.569 -2.632 1.00 0.64 H new ATOM 1010 N PHE A 66 -7.137 7.721 -5.183 1.00 0.58 N ATOM 1011 CA PHE A 66 -6.041 7.138 -5.961 1.00 0.59 C ATOM 1012 C PHE A 66 -4.678 7.644 -5.468 1.00 0.58 C ATOM 1013 O PHE A 66 -4.575 8.575 -4.669 1.00 0.61 O ATOM 1014 CB PHE A 66 -6.207 7.364 -7.486 1.00 0.63 C ATOM 1015 CG PHE A 66 -6.339 8.804 -7.942 1.00 0.69 C ATOM 1016 CD1 PHE A 66 -5.193 9.600 -8.122 1.00 1.35 C ATOM 1017 CD2 PHE A 66 -7.608 9.334 -8.239 1.00 2.00 C ATOM 1018 CE1 PHE A 66 -5.315 10.917 -8.594 1.00 1.39 C ATOM 1019 CE2 PHE A 66 -7.732 10.655 -8.707 1.00 2.05 C ATOM 1020 CZ PHE A 66 -6.583 11.445 -8.889 1.00 0.89 C ATOM 0 H PHE A 66 -6.807 8.356 -4.456 1.00 0.58 H new ATOM 0 HA PHE A 66 -6.081 6.061 -5.799 1.00 0.59 H new ATOM 0 HB2 PHE A 66 -5.349 6.922 -7.993 1.00 0.63 H new ATOM 0 HB3 PHE A 66 -7.090 6.818 -7.819 1.00 0.63 H new ATOM 0 HD1 PHE A 66 -4.217 9.197 -7.897 1.00 1.35 H new ATOM 0 HD2 PHE A 66 -8.490 8.725 -8.107 1.00 2.00 H new ATOM 0 HE1 PHE A 66 -4.433 11.525 -8.730 1.00 1.39 H new ATOM 0 HE2 PHE A 66 -8.708 11.062 -8.926 1.00 2.05 H new ATOM 0 HZ PHE A 66 -6.675 12.457 -9.255 1.00 0.89 H new ATOM 1030 N LEU A 67 -3.635 7.028 -6.021 1.00 0.63 N ATOM 1031 CA LEU A 67 -2.259 7.503 -6.097 1.00 0.62 C ATOM 1032 C LEU A 67 -1.839 7.589 -7.570 1.00 0.64 C ATOM 1033 O LEU A 67 -2.529 7.069 -8.446 1.00 0.68 O ATOM 1034 CB LEU A 67 -1.351 6.498 -5.359 1.00 0.69 C ATOM 1035 CG LEU A 67 -0.712 7.041 -4.076 1.00 0.65 C ATOM 1036 CD1 LEU A 67 0.198 5.923 -3.544 1.00 1.06 C ATOM 1037 CD2 LEU A 67 0.150 8.291 -4.332 1.00 0.90 C ATOM 0 H LEU A 67 -3.740 6.114 -6.461 1.00 0.63 H new ATOM 0 HA LEU A 67 -2.172 8.488 -5.638 1.00 0.62 H new ATOM 0 HB2 LEU A 67 -1.937 5.613 -5.111 1.00 0.69 H new ATOM 0 HB3 LEU A 67 -0.559 6.178 -6.036 1.00 0.69 H new ATOM 0 HG LEU A 67 -1.496 7.329 -3.375 1.00 0.65 H new ATOM 0 HD11 LEU A 67 0.683 6.254 -2.626 1.00 1.06 H new ATOM 0 HD12 LEU A 67 -0.399 5.035 -3.339 1.00 1.06 H new ATOM 0 HD13 LEU A 67 0.957 5.686 -4.290 1.00 1.06 H new ATOM 0 HD21 LEU A 67 0.580 8.636 -3.391 1.00 0.90 H new ATOM 0 HD22 LEU A 67 0.952 8.044 -5.028 1.00 0.90 H new ATOM 0 HD23 LEU A 67 -0.470 9.080 -4.758 1.00 0.90 H new ATOM 1049 N GLU A 68 -0.661 8.138 -7.859 1.00 0.64 N ATOM 1050 CA GLU A 68 -0.052 8.072 -9.191 1.00 0.66 C ATOM 1051 C GLU A 68 1.459 8.261 -9.131 1.00 0.70 C ATOM 1052 O GLU A 68 2.001 8.635 -8.093 1.00 0.74 O ATOM 1053 CB GLU A 68 -0.745 9.032 -10.170 1.00 0.74 C ATOM 1054 CG GLU A 68 -0.428 10.511 -9.988 1.00 0.91 C ATOM 1055 CD GLU A 68 -1.384 11.263 -10.911 1.00 1.11 C ATOM 1056 OE1 GLU A 68 -2.578 11.372 -10.555 1.00 2.29 O ATOM 1057 OE2 GLU A 68 -1.002 11.563 -12.062 1.00 1.77 O ATOM 0 H GLU A 68 -0.098 8.644 -7.175 1.00 0.64 H new ATOM 0 HA GLU A 68 -0.210 7.068 -9.584 1.00 0.66 H new ATOM 0 HB2 GLU A 68 -0.472 8.744 -11.185 1.00 0.74 H new ATOM 0 HB3 GLU A 68 -1.823 8.897 -10.079 1.00 0.74 H new ATOM 0 HG2 GLU A 68 -0.567 10.815 -8.951 1.00 0.91 H new ATOM 0 HG3 GLU A 68 0.610 10.722 -10.245 1.00 0.91 H new ATOM 1064 N VAL A 69 2.131 7.943 -10.235 1.00 0.71 N ATOM 1065 CA VAL A 69 3.588 7.837 -10.333 1.00 0.73 C ATOM 1066 C VAL A 69 4.033 8.189 -11.764 1.00 0.73 C ATOM 1067 O VAL A 69 3.391 7.734 -12.713 1.00 0.76 O ATOM 1068 CB VAL A 69 4.064 6.395 -9.982 1.00 0.76 C ATOM 1069 CG1 VAL A 69 5.594 6.267 -9.935 1.00 0.79 C ATOM 1070 CG2 VAL A 69 3.523 5.861 -8.642 1.00 0.81 C ATOM 0 H VAL A 69 1.661 7.745 -11.118 1.00 0.71 H new ATOM 0 HA VAL A 69 4.035 8.533 -9.623 1.00 0.73 H new ATOM 0 HB VAL A 69 3.654 5.798 -10.797 1.00 0.76 H new ATOM 0 HG11 VAL A 69 5.866 5.241 -9.686 1.00 0.79 H new ATOM 0 HG12 VAL A 69 6.011 6.527 -10.908 1.00 0.79 H new ATOM 0 HG13 VAL A 69 5.992 6.942 -9.178 1.00 0.79 H new ATOM 0 HG21 VAL A 69 3.901 4.853 -8.473 1.00 0.81 H new ATOM 0 HG22 VAL A 69 3.851 6.512 -7.832 1.00 0.81 H new ATOM 0 HG23 VAL A 69 2.434 5.840 -8.672 1.00 0.81 H new ATOM 1080 N PRO A 70 5.114 8.971 -11.957 1.00 0.74 N ATOM 1081 CA PRO A 70 5.617 9.316 -13.284 1.00 0.78 C ATOM 1082 C PRO A 70 6.266 8.111 -13.996 1.00 0.85 C ATOM 1083 O PRO A 70 6.471 7.061 -13.381 1.00 0.98 O ATOM 1084 CB PRO A 70 6.619 10.455 -13.044 1.00 0.82 C ATOM 1085 CG PRO A 70 7.142 10.183 -11.637 1.00 0.82 C ATOM 1086 CD PRO A 70 5.913 9.623 -10.925 1.00 0.76 C ATOM 0 HA PRO A 70 4.811 9.621 -13.951 1.00 0.78 H new ATOM 0 HB2 PRO A 70 7.423 10.443 -13.780 1.00 0.82 H new ATOM 0 HB3 PRO A 70 6.140 11.432 -13.112 1.00 0.82 H new ATOM 0 HG2 PRO A 70 7.967 9.470 -11.642 1.00 0.82 H new ATOM 0 HG3 PRO A 70 7.508 11.091 -11.159 1.00 0.82 H new ATOM 0 HD2 PRO A 70 6.201 8.914 -10.148 1.00 0.76 H new ATOM 0 HD3 PRO A 70 5.348 10.418 -10.438 1.00 0.76 H new ATOM 1094 N PRO A 71 6.612 8.242 -15.291 1.00 0.81 N ATOM 1095 CA PRO A 71 7.481 7.298 -15.982 1.00 0.78 C ATOM 1096 C PRO A 71 8.866 7.241 -15.342 1.00 0.77 C ATOM 1097 O PRO A 71 9.377 8.257 -14.872 1.00 0.81 O ATOM 1098 CB PRO A 71 7.507 7.728 -17.441 1.00 0.78 C ATOM 1099 CG PRO A 71 7.012 9.170 -17.458 1.00 0.83 C ATOM 1100 CD PRO A 71 6.208 9.324 -16.174 1.00 0.81 C ATOM 0 HA PRO A 71 7.106 6.277 -15.907 1.00 0.78 H new ATOM 0 HB2 PRO A 71 8.514 7.655 -17.852 1.00 0.78 H new ATOM 0 HB3 PRO A 71 6.868 7.088 -18.049 1.00 0.78 H new ATOM 0 HG2 PRO A 71 7.844 9.873 -17.489 1.00 0.83 H new ATOM 0 HG3 PRO A 71 6.396 9.366 -18.336 1.00 0.83 H new ATOM 0 HD2 PRO A 71 6.400 10.292 -15.712 1.00 0.81 H new ATOM 0 HD3 PRO A 71 5.139 9.276 -16.380 1.00 0.81 H new ATOM 1108 N LYS A 72 9.442 6.033 -15.284 1.00 0.77 N ATOM 1109 CA LYS A 72 10.725 5.716 -14.618 1.00 0.81 C ATOM 1110 C LYS A 72 10.683 5.903 -13.088 1.00 0.93 C ATOM 1111 O LYS A 72 11.680 5.709 -12.390 1.00 1.02 O ATOM 1112 CB LYS A 72 11.884 6.485 -15.274 1.00 0.81 C ATOM 1113 CG LYS A 72 11.831 6.479 -16.810 1.00 0.95 C ATOM 1114 CD LYS A 72 11.884 5.075 -17.436 1.00 0.84 C ATOM 1115 CE LYS A 72 11.529 5.160 -18.920 1.00 1.08 C ATOM 1116 NZ LYS A 72 11.487 3.825 -19.559 1.00 1.41 N ATOM 0 H LYS A 72 9.015 5.213 -15.715 1.00 0.77 H new ATOM 0 HA LYS A 72 10.904 4.651 -14.765 1.00 0.81 H new ATOM 0 HB2 LYS A 72 11.871 7.516 -14.922 1.00 0.81 H new ATOM 0 HB3 LYS A 72 12.829 6.049 -14.949 1.00 0.81 H new ATOM 0 HG2 LYS A 72 10.915 6.974 -17.133 1.00 0.95 H new ATOM 0 HG3 LYS A 72 12.664 7.068 -17.194 1.00 0.95 H new ATOM 0 HD2 LYS A 72 12.880 4.649 -17.314 1.00 0.84 H new ATOM 0 HD3 LYS A 72 11.188 4.411 -16.923 1.00 0.84 H new ATOM 0 HE2 LYS A 72 10.560 5.647 -19.033 1.00 1.08 H new ATOM 0 HE3 LYS A 72 12.261 5.784 -19.432 1.00 1.08 H new ATOM 0 HZ1 LYS A 72 12.240 3.758 -20.273 1.00 1.41 H new ATOM 0 HZ2 LYS A 72 11.628 3.090 -18.837 1.00 1.41 H new ATOM 0 HZ3 LYS A 72 10.563 3.688 -20.017 1.00 1.41 H new ATOM 1130 N GLY A 73 9.514 6.265 -12.565 1.00 1.00 N ATOM 1131 CA GLY A 73 9.237 6.621 -11.187 1.00 1.14 C ATOM 1132 C GLY A 73 9.125 5.375 -10.337 1.00 0.95 C ATOM 1133 O GLY A 73 8.287 4.512 -10.572 1.00 1.05 O ATOM 0 H GLY A 73 8.675 6.319 -13.143 1.00 1.00 H new ATOM 0 HA2 GLY A 73 10.031 7.262 -10.803 1.00 1.14 H new ATOM 0 HA3 GLY A 73 8.311 7.193 -11.131 1.00 1.14 H new ATOM 1137 N ARG A 74 9.979 5.336 -9.328 1.00 1.01 N ATOM 1138 CA ARG A 74 9.939 4.403 -8.202 1.00 0.97 C ATOM 1139 C ARG A 74 9.647 5.172 -6.911 1.00 0.99 C ATOM 1140 O ARG A 74 10.292 6.188 -6.671 1.00 1.20 O ATOM 1141 CB ARG A 74 11.285 3.677 -8.128 1.00 1.21 C ATOM 1142 CG ARG A 74 11.321 2.510 -7.129 1.00 1.75 C ATOM 1143 CD ARG A 74 12.692 1.810 -7.127 1.00 1.75 C ATOM 1144 NE ARG A 74 13.075 1.352 -8.482 1.00 3.20 N ATOM 1145 CZ ARG A 74 12.667 0.223 -9.046 1.00 4.26 C ATOM 1146 NH1 ARG A 74 12.231 -0.780 -8.327 1.00 4.16 N ATOM 1147 NH2 ARG A 74 12.665 0.088 -10.354 1.00 6.03 N ATOM 0 H ARG A 74 10.762 5.986 -9.264 1.00 1.01 H new ATOM 0 HA ARG A 74 9.147 3.666 -8.337 1.00 0.97 H new ATOM 0 HB2 ARG A 74 11.535 3.299 -9.119 1.00 1.21 H new ATOM 0 HB3 ARG A 74 12.058 4.396 -7.856 1.00 1.21 H new ATOM 0 HG2 ARG A 74 11.099 2.880 -6.128 1.00 1.75 H new ATOM 0 HG3 ARG A 74 10.544 1.789 -7.382 1.00 1.75 H new ATOM 0 HD2 ARG A 74 13.450 2.495 -6.747 1.00 1.75 H new ATOM 0 HD3 ARG A 74 12.664 0.957 -6.449 1.00 1.75 H new ATOM 0 HE ARG A 74 13.700 1.950 -9.023 1.00 3.20 H new ATOM 0 HH11 ARG A 74 12.200 -0.703 -7.310 1.00 4.16 H new ATOM 0 HH12 ARG A 74 11.922 -1.638 -8.783 1.00 4.16 H new ATOM 0 HH21 ARG A 74 12.980 0.856 -10.946 1.00 6.03 H new ATOM 0 HH22 ARG A 74 12.349 -0.785 -10.776 1.00 6.03 H new ATOM 1161 N VAL A 75 8.697 4.698 -6.109 1.00 0.89 N ATOM 1162 CA VAL A 75 8.249 5.337 -4.851 1.00 0.94 C ATOM 1163 C VAL A 75 7.543 4.329 -3.943 1.00 0.88 C ATOM 1164 O VAL A 75 6.678 3.583 -4.398 1.00 1.44 O ATOM 1165 CB VAL A 75 7.294 6.549 -5.057 1.00 1.33 C ATOM 1166 CG1 VAL A 75 7.992 7.821 -5.567 1.00 1.77 C ATOM 1167 CG2 VAL A 75 6.094 6.258 -5.980 1.00 1.59 C ATOM 0 H VAL A 75 8.196 3.833 -6.313 1.00 0.89 H new ATOM 0 HA VAL A 75 9.165 5.707 -4.390 1.00 0.94 H new ATOM 0 HB VAL A 75 6.928 6.727 -4.046 1.00 1.33 H new ATOM 0 HG11 VAL A 75 7.257 8.617 -5.684 1.00 1.77 H new ATOM 0 HG12 VAL A 75 8.752 8.131 -4.850 1.00 1.77 H new ATOM 0 HG13 VAL A 75 8.462 7.617 -6.529 1.00 1.77 H new ATOM 0 HG21 VAL A 75 5.479 7.153 -6.071 1.00 1.59 H new ATOM 0 HG22 VAL A 75 6.456 5.965 -6.966 1.00 1.59 H new ATOM 0 HG23 VAL A 75 5.498 5.449 -5.557 1.00 1.59 H new ATOM 1177 N GLU A 76 7.867 4.312 -2.653 1.00 0.90 N ATOM 1178 CA GLU A 76 7.185 3.442 -1.701 1.00 0.97 C ATOM 1179 C GLU A 76 5.828 3.997 -1.255 1.00 1.11 C ATOM 1180 O GLU A 76 5.707 5.121 -0.759 1.00 1.21 O ATOM 1181 CB GLU A 76 8.040 3.174 -0.456 1.00 1.40 C ATOM 1182 CG GLU A 76 9.240 2.265 -0.697 1.00 1.87 C ATOM 1183 CD GLU A 76 10.277 2.877 -1.626 1.00 2.58 C ATOM 1184 OE1 GLU A 76 10.489 4.108 -1.564 1.00 3.02 O ATOM 1185 OE2 GLU A 76 10.832 2.086 -2.415 1.00 3.74 O ATOM 0 H GLU A 76 8.599 4.892 -2.243 1.00 0.90 H new ATOM 0 HA GLU A 76 7.019 2.508 -2.237 1.00 0.97 H new ATOM 0 HB2 GLU A 76 8.395 4.127 -0.063 1.00 1.40 H new ATOM 0 HB3 GLU A 76 7.410 2.727 0.313 1.00 1.40 H new ATOM 0 HG2 GLU A 76 9.710 2.033 0.259 1.00 1.87 H new ATOM 0 HG3 GLU A 76 8.894 1.322 -1.120 1.00 1.87 H new ATOM 1192 N LEU A 77 4.841 3.099 -1.250 1.00 1.15 N ATOM 1193 CA LEU A 77 3.778 3.055 -0.254 1.00 1.07 C ATOM 1194 C LEU A 77 4.399 2.700 1.108 1.00 1.09 C ATOM 1195 O LEU A 77 4.263 1.600 1.636 1.00 1.38 O ATOM 1196 CB LEU A 77 2.650 2.094 -0.681 1.00 1.05 C ATOM 1197 CG LEU A 77 1.714 2.610 -1.797 1.00 1.04 C ATOM 1198 CD1 LEU A 77 2.361 2.595 -3.190 1.00 1.05 C ATOM 1199 CD2 LEU A 77 0.441 1.755 -1.826 1.00 1.05 C ATOM 0 H LEU A 77 4.760 2.367 -1.956 1.00 1.15 H new ATOM 0 HA LEU A 77 3.302 4.031 -0.165 1.00 1.07 H new ATOM 0 HB2 LEU A 77 3.101 1.159 -1.014 1.00 1.05 H new ATOM 0 HB3 LEU A 77 2.045 1.861 0.196 1.00 1.05 H new ATOM 0 HG LEU A 77 1.487 3.650 -1.562 1.00 1.04 H new ATOM 0 HD11 LEU A 77 1.649 2.970 -3.926 1.00 1.05 H new ATOM 0 HD12 LEU A 77 3.247 3.230 -3.186 1.00 1.05 H new ATOM 0 HD13 LEU A 77 2.646 1.575 -3.448 1.00 1.05 H new ATOM 0 HD21 LEU A 77 -0.222 2.116 -2.612 1.00 1.05 H new ATOM 0 HD22 LEU A 77 0.705 0.716 -2.023 1.00 1.05 H new ATOM 0 HD23 LEU A 77 -0.066 1.825 -0.864 1.00 1.05 H new ATOM 1211 N LYS A 78 5.158 3.662 1.626 1.00 1.12 N ATOM 1212 CA LYS A 78 5.836 3.693 2.919 1.00 1.17 C ATOM 1213 C LYS A 78 4.872 4.142 4.032 1.00 1.04 C ATOM 1214 O LYS A 78 4.037 5.008 3.761 1.00 1.03 O ATOM 1215 CB LYS A 78 7.040 4.658 2.791 1.00 1.33 C ATOM 1216 CG LYS A 78 6.658 6.082 2.315 1.00 1.28 C ATOM 1217 CD LYS A 78 7.729 6.794 1.468 1.00 1.87 C ATOM 1218 CE LYS A 78 8.789 7.520 2.300 1.00 1.76 C ATOM 1219 NZ LYS A 78 8.287 8.832 2.781 1.00 2.88 N ATOM 0 H LYS A 78 5.330 4.520 1.102 1.00 1.12 H new ATOM 0 HA LYS A 78 6.185 2.697 3.192 1.00 1.17 H new ATOM 0 HB2 LYS A 78 7.539 4.731 3.758 1.00 1.33 H new ATOM 0 HB3 LYS A 78 7.760 4.233 2.092 1.00 1.33 H new ATOM 0 HG2 LYS A 78 5.738 6.020 1.733 1.00 1.28 H new ATOM 0 HG3 LYS A 78 6.441 6.695 3.190 1.00 1.28 H new ATOM 0 HD2 LYS A 78 8.221 6.061 0.829 1.00 1.87 H new ATOM 0 HD3 LYS A 78 7.241 7.513 0.810 1.00 1.87 H new ATOM 0 HE2 LYS A 78 9.073 6.902 3.152 1.00 1.76 H new ATOM 0 HE3 LYS A 78 9.687 7.669 1.700 1.00 1.76 H new ATOM 0 HZ1 LYS A 78 8.962 9.233 3.463 1.00 2.88 H new ATOM 0 HZ2 LYS A 78 8.183 9.481 1.975 1.00 2.88 H new ATOM 0 HZ3 LYS A 78 7.364 8.703 3.242 1.00 2.88 H new ATOM 1233 N PRO A 79 5.028 3.686 5.294 1.00 1.02 N ATOM 1234 CA PRO A 79 4.167 4.096 6.409 1.00 1.01 C ATOM 1235 C PRO A 79 4.088 5.620 6.596 1.00 1.19 C ATOM 1236 O PRO A 79 3.002 6.136 6.828 1.00 1.18 O ATOM 1237 CB PRO A 79 4.714 3.384 7.656 1.00 1.09 C ATOM 1238 CG PRO A 79 6.121 2.932 7.263 1.00 1.16 C ATOM 1239 CD PRO A 79 6.024 2.728 5.753 1.00 1.09 C ATOM 0 HA PRO A 79 3.135 3.808 6.208 1.00 1.01 H new ATOM 0 HB2 PRO A 79 4.740 4.055 8.515 1.00 1.09 H new ATOM 0 HB3 PRO A 79 4.089 2.535 7.933 1.00 1.09 H new ATOM 0 HG2 PRO A 79 6.869 3.682 7.519 1.00 1.16 H new ATOM 0 HG3 PRO A 79 6.404 2.012 7.774 1.00 1.16 H new ATOM 0 HD2 PRO A 79 6.986 2.901 5.271 1.00 1.09 H new ATOM 0 HD3 PRO A 79 5.726 1.707 5.513 1.00 1.09 H new ATOM 1247 N GLY A 80 5.191 6.358 6.405 1.00 1.50 N ATOM 1248 CA GLY A 80 5.191 7.826 6.319 1.00 1.65 C ATOM 1249 C GLY A 80 4.968 8.291 4.880 1.00 1.53 C ATOM 1250 O GLY A 80 5.887 8.828 4.256 1.00 1.83 O ATOM 0 H GLY A 80 6.119 5.948 6.305 1.00 1.50 H new ATOM 0 HA2 GLY A 80 4.409 8.231 6.961 1.00 1.65 H new ATOM 0 HA3 GLY A 80 6.140 8.215 6.688 1.00 1.65 H new ATOM 1254 N GLY A 81 3.785 8.006 4.332 1.00 1.23 N ATOM 1255 CA GLY A 81 3.401 8.312 2.953 1.00 1.14 C ATOM 1256 C GLY A 81 2.038 7.749 2.565 1.00 0.88 C ATOM 1257 O GLY A 81 1.050 8.469 2.564 1.00 0.88 O ATOM 0 H GLY A 81 3.043 7.540 4.854 1.00 1.23 H new ATOM 0 HA2 GLY A 81 3.391 9.394 2.818 1.00 1.14 H new ATOM 0 HA3 GLY A 81 4.157 7.913 2.276 1.00 1.14 H new ATOM 1261 N TYR A 82 1.999 6.466 2.211 1.00 0.78 N ATOM 1262 CA TYR A 82 0.896 5.786 1.510 1.00 0.71 C ATOM 1263 C TYR A 82 0.893 4.293 1.852 1.00 0.69 C ATOM 1264 O TYR A 82 1.940 3.727 2.155 1.00 0.67 O ATOM 1265 CB TYR A 82 1.018 6.019 -0.002 1.00 0.75 C ATOM 1266 CG TYR A 82 1.146 7.471 -0.423 1.00 0.76 C ATOM 1267 CD1 TYR A 82 0.005 8.295 -0.476 1.00 2.08 C ATOM 1268 CD2 TYR A 82 2.412 8.000 -0.744 1.00 2.01 C ATOM 1269 CE1 TYR A 82 0.131 9.658 -0.813 1.00 2.06 C ATOM 1270 CE2 TYR A 82 2.544 9.357 -1.091 1.00 2.10 C ATOM 1271 CZ TYR A 82 1.403 10.191 -1.118 1.00 0.91 C ATOM 1272 OH TYR A 82 1.533 11.504 -1.450 1.00 1.03 O ATOM 0 H TYR A 82 2.774 5.834 2.413 1.00 0.78 H new ATOM 0 HA TYR A 82 -0.056 6.202 1.840 1.00 0.71 H new ATOM 0 HB2 TYR A 82 1.887 5.473 -0.369 1.00 0.75 H new ATOM 0 HB3 TYR A 82 0.143 5.591 -0.491 1.00 0.75 H new ATOM 0 HD1 TYR A 82 -0.969 7.882 -0.258 1.00 2.08 H new ATOM 0 HD2 TYR A 82 3.283 7.362 -0.724 1.00 2.01 H new ATOM 0 HE1 TYR A 82 -0.742 10.293 -0.838 1.00 2.06 H new ATOM 0 HE2 TYR A 82 3.515 9.761 -1.336 1.00 2.10 H new ATOM 0 HH TYR A 82 2.476 11.705 -1.628 1.00 1.03 H new ATOM 1282 N HIS A 83 -0.257 3.631 1.810 1.00 0.73 N ATOM 1283 CA HIS A 83 -0.400 2.202 2.101 1.00 0.80 C ATOM 1284 C HIS A 83 -1.754 1.700 1.602 1.00 0.85 C ATOM 1285 O HIS A 83 -2.659 2.490 1.340 1.00 0.87 O ATOM 1286 CB HIS A 83 -0.209 1.905 3.604 1.00 0.88 C ATOM 1287 CG HIS A 83 -1.075 2.719 4.536 1.00 0.82 C ATOM 1288 ND1 HIS A 83 -0.851 4.035 4.879 1.00 0.94 N ATOM 1289 CD2 HIS A 83 -2.183 2.302 5.233 1.00 0.74 C ATOM 1290 CE1 HIS A 83 -1.800 4.409 5.746 1.00 0.91 C ATOM 1291 NE2 HIS A 83 -2.612 3.377 6.015 1.00 0.78 N ATOM 0 H HIS A 83 -1.140 4.080 1.567 1.00 0.73 H new ATOM 0 HA HIS A 83 0.386 1.665 1.571 1.00 0.80 H new ATOM 0 HB2 HIS A 83 -0.410 0.848 3.777 1.00 0.88 H new ATOM 0 HB3 HIS A 83 0.836 2.077 3.862 1.00 0.88 H new ATOM 0 HD2 HIS A 83 -2.638 1.324 5.185 1.00 0.74 H new ATOM 0 HE1 HIS A 83 -1.897 5.399 6.168 1.00 0.91 H new ATOM 0 HE2 HIS A 83 -3.396 3.377 6.668 1.00 0.78 H new ATOM 1299 N PHE A 84 -1.903 0.380 1.518 1.00 0.91 N ATOM 1300 CA PHE A 84 -3.217 -0.225 1.460 1.00 0.82 C ATOM 1301 C PHE A 84 -3.589 -0.638 2.870 1.00 0.75 C ATOM 1302 O PHE A 84 -2.865 -1.409 3.507 1.00 0.88 O ATOM 1303 CB PHE A 84 -3.211 -1.406 0.496 1.00 0.94 C ATOM 1304 CG PHE A 84 -3.073 -0.960 -0.942 1.00 0.96 C ATOM 1305 CD1 PHE A 84 -4.156 -0.315 -1.566 1.00 2.23 C ATOM 1306 CD2 PHE A 84 -1.864 -1.136 -1.640 1.00 1.58 C ATOM 1307 CE1 PHE A 84 -4.053 0.083 -2.905 1.00 2.31 C ATOM 1308 CE2 PHE A 84 -1.749 -0.692 -2.970 1.00 1.55 C ATOM 1309 CZ PHE A 84 -2.851 -0.097 -3.606 1.00 1.11 C ATOM 0 H PHE A 84 -1.128 -0.283 1.489 1.00 0.91 H new ATOM 0 HA PHE A 84 -3.960 0.477 1.083 1.00 0.82 H new ATOM 0 HB2 PHE A 84 -2.389 -2.076 0.748 1.00 0.94 H new ATOM 0 HB3 PHE A 84 -4.134 -1.974 0.613 1.00 0.94 H new ATOM 0 HD1 PHE A 84 -5.065 -0.127 -1.014 1.00 2.23 H new ATOM 0 HD2 PHE A 84 -1.025 -1.612 -1.155 1.00 1.58 H new ATOM 0 HE1 PHE A 84 -4.902 0.530 -3.400 1.00 2.31 H new ATOM 0 HE2 PHE A 84 -0.816 -0.808 -3.501 1.00 1.55 H new ATOM 0 HZ PHE A 84 -2.773 0.222 -4.635 1.00 1.11 H new ATOM 1319 N MET A 85 -4.725 -0.139 3.340 1.00 0.59 N ATOM 1320 CA MET A 85 -5.391 -0.698 4.501 1.00 0.56 C ATOM 1321 C MET A 85 -6.162 -1.938 4.037 1.00 0.54 C ATOM 1322 O MET A 85 -6.869 -1.880 3.026 1.00 0.62 O ATOM 1323 CB MET A 85 -6.282 0.379 5.134 1.00 0.61 C ATOM 1324 CG MET A 85 -6.358 0.207 6.651 1.00 1.02 C ATOM 1325 SD MET A 85 -5.189 1.179 7.627 1.00 1.21 S ATOM 1326 CE MET A 85 -3.767 0.063 7.622 1.00 0.72 C ATOM 0 H MET A 85 -5.206 0.660 2.927 1.00 0.59 H new ATOM 0 HA MET A 85 -4.690 -1.010 5.276 1.00 0.56 H new ATOM 0 HB2 MET A 85 -5.888 1.367 4.896 1.00 0.61 H new ATOM 0 HB3 MET A 85 -7.284 0.324 4.708 1.00 0.61 H new ATOM 0 HG2 MET A 85 -7.368 0.461 6.974 1.00 1.02 H new ATOM 0 HG3 MET A 85 -6.205 -0.847 6.884 1.00 1.02 H new ATOM 0 HE1 MET A 85 -3.010 0.435 8.313 1.00 0.72 H new ATOM 0 HE2 MET A 85 -4.084 -0.932 7.933 1.00 0.72 H new ATOM 0 HE3 MET A 85 -3.348 0.013 6.617 1.00 0.72 H new ATOM 1336 N LEU A 86 -5.983 -3.064 4.737 1.00 0.52 N ATOM 1337 CA LEU A 86 -6.725 -4.297 4.475 1.00 0.54 C ATOM 1338 C LEU A 86 -7.701 -4.540 5.625 1.00 0.50 C ATOM 1339 O LEU A 86 -7.287 -4.631 6.780 1.00 0.64 O ATOM 1340 CB LEU A 86 -5.773 -5.502 4.314 1.00 0.74 C ATOM 1341 CG LEU A 86 -5.026 -5.628 2.966 1.00 1.27 C ATOM 1342 CD1 LEU A 86 -5.934 -5.448 1.737 1.00 3.27 C ATOM 1343 CD2 LEU A 86 -3.846 -4.660 2.852 1.00 1.19 C ATOM 0 H LEU A 86 -5.316 -3.143 5.504 1.00 0.52 H new ATOM 0 HA LEU A 86 -7.273 -4.188 3.539 1.00 0.54 H new ATOM 0 HB2 LEU A 86 -5.030 -5.456 5.110 1.00 0.74 H new ATOM 0 HB3 LEU A 86 -6.350 -6.414 4.468 1.00 0.74 H new ATOM 0 HG LEU A 86 -4.653 -6.652 2.968 1.00 1.27 H new ATOM 0 HD11 LEU A 86 -5.341 -5.550 0.828 1.00 3.27 H new ATOM 0 HD12 LEU A 86 -6.715 -6.208 1.747 1.00 3.27 H new ATOM 0 HD13 LEU A 86 -6.390 -4.459 1.764 1.00 3.27 H new ATOM 0 HD21 LEU A 86 -3.359 -4.792 1.886 1.00 1.19 H new ATOM 0 HD22 LEU A 86 -4.206 -3.635 2.939 1.00 1.19 H new ATOM 0 HD23 LEU A 86 -3.131 -4.862 3.650 1.00 1.19 H new ATOM 1355 N LEU A 87 -8.989 -4.661 5.295 1.00 0.58 N ATOM 1356 CA LEU A 87 -10.100 -4.875 6.221 1.00 0.63 C ATOM 1357 C LEU A 87 -10.815 -6.186 5.853 1.00 0.71 C ATOM 1358 O LEU A 87 -11.148 -6.403 4.688 1.00 0.96 O ATOM 1359 CB LEU A 87 -11.102 -3.702 6.120 1.00 0.69 C ATOM 1360 CG LEU A 87 -10.668 -2.270 6.509 1.00 1.16 C ATOM 1361 CD1 LEU A 87 -10.113 -2.214 7.935 1.00 1.59 C ATOM 1362 CD2 LEU A 87 -9.658 -1.627 5.546 1.00 3.13 C ATOM 0 H LEU A 87 -9.299 -4.609 4.325 1.00 0.58 H new ATOM 0 HA LEU A 87 -9.716 -4.932 7.240 1.00 0.63 H new ATOM 0 HB2 LEU A 87 -11.452 -3.664 5.088 1.00 0.69 H new ATOM 0 HB3 LEU A 87 -11.962 -3.958 6.739 1.00 0.69 H new ATOM 0 HG LEU A 87 -11.585 -1.685 6.443 1.00 1.16 H new ATOM 0 HD11 LEU A 87 -9.819 -1.191 8.171 1.00 1.59 H new ATOM 0 HD12 LEU A 87 -10.880 -2.542 8.637 1.00 1.59 H new ATOM 0 HD13 LEU A 87 -9.245 -2.868 8.014 1.00 1.59 H new ATOM 0 HD21 LEU A 87 -9.409 -0.625 5.895 1.00 3.13 H new ATOM 0 HD22 LEU A 87 -8.753 -2.233 5.510 1.00 3.13 H new ATOM 0 HD23 LEU A 87 -10.094 -1.566 4.549 1.00 3.13 H new ATOM 1374 N GLY A 88 -11.090 -7.046 6.840 1.00 0.67 N ATOM 1375 CA GLY A 88 -11.701 -8.366 6.625 1.00 0.80 C ATOM 1376 C GLY A 88 -10.661 -9.351 6.096 1.00 0.86 C ATOM 1377 O GLY A 88 -10.372 -9.362 4.900 1.00 1.45 O ATOM 0 H GLY A 88 -10.893 -6.845 7.820 1.00 0.67 H new ATOM 0 HA2 GLY A 88 -12.121 -8.737 7.560 1.00 0.80 H new ATOM 0 HA3 GLY A 88 -12.525 -8.282 5.917 1.00 0.80 H new ATOM 1381 N LEU A 89 -10.053 -10.147 6.980 1.00 0.79 N ATOM 1382 CA LEU A 89 -8.877 -10.956 6.639 1.00 0.74 C ATOM 1383 C LEU A 89 -9.256 -12.421 6.378 1.00 0.78 C ATOM 1384 O LEU A 89 -9.897 -13.072 7.196 1.00 1.02 O ATOM 1385 CB LEU A 89 -7.797 -10.804 7.729 1.00 0.84 C ATOM 1386 CG LEU A 89 -7.401 -9.346 8.063 1.00 0.83 C ATOM 1387 CD1 LEU A 89 -6.184 -9.359 8.990 1.00 0.93 C ATOM 1388 CD2 LEU A 89 -7.053 -8.489 6.834 1.00 1.03 C ATOM 0 H LEU A 89 -10.359 -10.249 7.948 1.00 0.79 H new ATOM 0 HA LEU A 89 -8.455 -10.586 5.705 1.00 0.74 H new ATOM 0 HB2 LEU A 89 -8.152 -11.285 8.640 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -6.904 -11.343 7.411 1.00 0.84 H new ATOM 0 HG LEU A 89 -8.277 -8.896 8.531 1.00 0.83 H new ATOM 0 HD11 LEU A 89 -5.899 -8.335 9.230 1.00 0.93 H new ATOM 0 HD12 LEU A 89 -6.432 -9.891 9.908 1.00 0.93 H new ATOM 0 HD13 LEU A 89 -5.353 -9.860 8.493 1.00 0.93 H new ATOM 0 HD21 LEU A 89 -6.787 -7.482 7.156 1.00 1.03 H new ATOM 0 HD22 LEU A 89 -6.211 -8.936 6.306 1.00 1.03 H new ATOM 0 HD23 LEU A 89 -7.915 -8.441 6.168 1.00 1.03 H new ATOM 1400 N LYS A 90 -8.816 -12.954 5.236 1.00 0.75 N ATOM 1401 CA LYS A 90 -9.048 -14.342 4.800 1.00 0.81 C ATOM 1402 C LYS A 90 -8.092 -15.350 5.476 1.00 0.82 C ATOM 1403 O LYS A 90 -8.369 -16.547 5.503 1.00 0.89 O ATOM 1404 CB LYS A 90 -8.915 -14.412 3.266 1.00 1.02 C ATOM 1405 CG LYS A 90 -9.854 -13.450 2.509 1.00 0.84 C ATOM 1406 CD LYS A 90 -9.637 -13.559 0.994 1.00 1.60 C ATOM 1407 CE LYS A 90 -10.567 -12.664 0.171 1.00 1.76 C ATOM 1408 NZ LYS A 90 -11.978 -13.102 0.209 1.00 1.46 N ATOM 0 H LYS A 90 -8.269 -12.417 4.563 1.00 0.75 H new ATOM 0 HA LYS A 90 -10.055 -14.627 5.105 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -7.884 -14.189 2.991 1.00 1.02 H new ATOM 0 HB3 LYS A 90 -9.118 -15.432 2.940 1.00 1.02 H new ATOM 0 HG2 LYS A 90 -10.891 -13.682 2.750 1.00 0.84 H new ATOM 0 HG3 LYS A 90 -9.672 -12.426 2.834 1.00 0.84 H new ATOM 0 HD2 LYS A 90 -8.603 -13.301 0.765 1.00 1.60 H new ATOM 0 HD3 LYS A 90 -9.782 -14.595 0.689 1.00 1.60 H new ATOM 0 HE2 LYS A 90 -10.500 -11.642 0.543 1.00 1.76 H new ATOM 0 HE3 LYS A 90 -10.225 -12.650 -0.864 1.00 1.76 H new ATOM 0 HZ1 LYS A 90 -12.509 -12.629 -0.550 1.00 1.46 H new ATOM 0 HZ2 LYS A 90 -12.025 -14.132 0.074 1.00 1.46 H new ATOM 0 HZ3 LYS A 90 -12.394 -12.854 1.129 1.00 1.46 H new ATOM 1422 N ARG A 91 -6.969 -14.868 6.029 1.00 0.93 N ATOM 1423 CA ARG A 91 -6.075 -15.605 6.930 1.00 1.05 C ATOM 1424 C ARG A 91 -5.261 -14.624 7.796 1.00 0.99 C ATOM 1425 O ARG A 91 -4.918 -13.549 7.300 1.00 1.01 O ATOM 1426 CB ARG A 91 -5.174 -16.601 6.167 1.00 1.33 C ATOM 1427 CG ARG A 91 -4.073 -15.977 5.287 1.00 1.82 C ATOM 1428 CD ARG A 91 -3.300 -17.083 4.550 1.00 1.94 C ATOM 1429 NE ARG A 91 -2.058 -16.581 3.924 1.00 3.18 N ATOM 1430 CZ ARG A 91 -0.841 -17.122 4.008 1.00 4.19 C ATOM 1431 NH1 ARG A 91 -0.603 -18.253 4.637 1.00 4.47 N ATOM 1432 NH2 ARG A 91 0.211 -16.542 3.475 1.00 5.68 N ATOM 0 H ARG A 91 -6.647 -13.916 5.853 1.00 0.93 H new ATOM 0 HA ARG A 91 -6.689 -16.209 7.598 1.00 1.05 H new ATOM 0 HB2 ARG A 91 -4.700 -17.262 6.893 1.00 1.33 H new ATOM 0 HB3 ARG A 91 -5.808 -17.223 5.535 1.00 1.33 H new ATOM 0 HG2 ARG A 91 -4.517 -15.290 4.566 1.00 1.82 H new ATOM 0 HG3 ARG A 91 -3.390 -15.393 5.904 1.00 1.82 H new ATOM 0 HD2 ARG A 91 -3.054 -17.880 5.252 1.00 1.94 H new ATOM 0 HD3 ARG A 91 -3.939 -17.520 3.783 1.00 1.94 H new ATOM 0 HE ARG A 91 -2.140 -15.730 3.368 1.00 3.18 H new ATOM 0 HH11 ARG A 91 -1.367 -18.756 5.088 1.00 4.47 H new ATOM 0 HH12 ARG A 91 0.345 -18.626 4.674 1.00 4.47 H new ATOM 0 HH21 ARG A 91 0.109 -15.655 2.982 1.00 5.68 H new ATOM 0 HH22 ARG A 91 1.129 -16.979 3.555 1.00 5.68 H new ATOM 1446 N PRO A 92 -4.957 -14.962 9.067 1.00 1.10 N ATOM 1447 CA PRO A 92 -4.127 -14.132 9.931 1.00 1.15 C ATOM 1448 C PRO A 92 -2.676 -14.150 9.442 1.00 1.19 C ATOM 1449 O PRO A 92 -2.194 -15.166 8.937 1.00 1.37 O ATOM 1450 CB PRO A 92 -4.270 -14.722 11.336 1.00 1.37 C ATOM 1451 CG PRO A 92 -4.559 -16.198 11.070 1.00 1.43 C ATOM 1452 CD PRO A 92 -5.373 -16.167 9.777 1.00 1.30 C ATOM 0 HA PRO A 92 -4.435 -13.086 9.925 1.00 1.15 H new ATOM 0 HB2 PRO A 92 -3.361 -14.590 11.922 1.00 1.37 H new ATOM 0 HB3 PRO A 92 -5.079 -14.247 11.891 1.00 1.37 H new ATOM 0 HG2 PRO A 92 -3.641 -16.774 10.954 1.00 1.43 H new ATOM 0 HG3 PRO A 92 -5.119 -16.652 11.887 1.00 1.43 H new ATOM 0 HD2 PRO A 92 -5.186 -17.057 9.177 1.00 1.30 H new ATOM 0 HD3 PRO A 92 -6.442 -16.145 9.990 1.00 1.30 H new ATOM 1460 N LEU A 93 -1.988 -13.014 9.594 1.00 1.30 N ATOM 1461 CA LEU A 93 -0.635 -12.797 9.082 1.00 1.46 C ATOM 1462 C LEU A 93 0.414 -13.435 10.009 1.00 1.54 C ATOM 1463 O LEU A 93 1.018 -12.791 10.863 1.00 1.92 O ATOM 1464 CB LEU A 93 -0.403 -11.286 8.863 1.00 1.54 C ATOM 1465 CG LEU A 93 -1.240 -10.570 7.778 1.00 1.67 C ATOM 1466 CD1 LEU A 93 -1.317 -11.341 6.452 1.00 1.47 C ATOM 1467 CD2 LEU A 93 -2.657 -10.218 8.241 1.00 2.38 C ATOM 0 H LEU A 93 -2.365 -12.204 10.087 1.00 1.30 H new ATOM 0 HA LEU A 93 -0.524 -13.291 8.117 1.00 1.46 H new ATOM 0 HB2 LEU A 93 -0.584 -10.780 9.811 1.00 1.54 H new ATOM 0 HB3 LEU A 93 0.650 -11.142 8.621 1.00 1.54 H new ATOM 0 HG LEU A 93 -0.693 -9.644 7.601 1.00 1.67 H new ATOM 0 HD11 LEU A 93 -1.920 -10.779 5.739 1.00 1.47 H new ATOM 0 HD12 LEU A 93 -0.313 -11.476 6.051 1.00 1.47 H new ATOM 0 HD13 LEU A 93 -1.773 -12.316 6.624 1.00 1.47 H new ATOM 0 HD21 LEU A 93 -3.190 -9.718 7.432 1.00 2.38 H new ATOM 0 HD22 LEU A 93 -3.187 -11.130 8.516 1.00 2.38 H new ATOM 0 HD23 LEU A 93 -2.603 -9.555 9.105 1.00 2.38 H new ATOM 1479 N LYS A 94 0.625 -14.743 9.851 1.00 1.55 N ATOM 1480 CA LYS A 94 1.610 -15.543 10.566 1.00 1.68 C ATOM 1481 C LYS A 94 3.034 -15.042 10.219 1.00 1.64 C ATOM 1482 O LYS A 94 3.353 -14.853 9.049 1.00 1.89 O ATOM 1483 CB LYS A 94 1.301 -17.013 10.163 1.00 1.91 C ATOM 1484 CG LYS A 94 1.707 -18.122 11.140 1.00 2.30 C ATOM 1485 CD LYS A 94 3.210 -18.397 11.207 1.00 2.62 C ATOM 1486 CE LYS A 94 3.785 -19.381 10.166 1.00 3.21 C ATOM 1487 NZ LYS A 94 4.076 -18.767 8.846 1.00 3.62 N ATOM 0 H LYS A 94 0.084 -15.297 9.187 1.00 1.55 H new ATOM 0 HA LYS A 94 1.561 -15.462 11.652 1.00 1.68 H new ATOM 0 HB2 LYS A 94 0.228 -17.095 9.991 1.00 1.91 H new ATOM 0 HB3 LYS A 94 1.793 -17.210 9.210 1.00 1.91 H new ATOM 0 HG2 LYS A 94 1.356 -17.856 12.137 1.00 2.30 H new ATOM 0 HG3 LYS A 94 1.196 -19.042 10.857 1.00 2.30 H new ATOM 0 HD2 LYS A 94 3.734 -17.447 11.102 1.00 2.62 H new ATOM 0 HD3 LYS A 94 3.441 -18.781 12.201 1.00 2.62 H new ATOM 0 HE2 LYS A 94 4.702 -19.817 10.562 1.00 3.21 H new ATOM 0 HE3 LYS A 94 3.078 -20.199 10.026 1.00 3.21 H new ATOM 0 HZ1 LYS A 94 4.669 -19.413 8.286 1.00 3.62 H new ATOM 0 HZ2 LYS A 94 3.184 -18.590 8.341 1.00 3.62 H new ATOM 0 HZ3 LYS A 94 4.579 -17.868 8.985 1.00 3.62 H new ATOM 1501 N ALA A 95 3.920 -14.855 11.205 1.00 1.70 N ATOM 1502 CA ALA A 95 5.325 -14.505 10.944 1.00 1.72 C ATOM 1503 C ALA A 95 6.014 -15.534 10.019 1.00 1.59 C ATOM 1504 O ALA A 95 5.803 -16.742 10.152 1.00 1.59 O ATOM 1505 CB ALA A 95 6.059 -14.359 12.283 1.00 1.91 C ATOM 0 H ALA A 95 3.689 -14.940 12.195 1.00 1.70 H new ATOM 0 HA ALA A 95 5.361 -13.554 10.412 1.00 1.72 H new ATOM 0 HB1 ALA A 95 7.102 -14.100 12.100 1.00 1.91 H new ATOM 0 HB2 ALA A 95 5.588 -13.573 12.873 1.00 1.91 H new ATOM 0 HB3 ALA A 95 6.010 -15.301 12.829 1.00 1.91 H new ATOM 1511 N GLY A 96 6.776 -15.052 9.033 1.00 1.67 N ATOM 1512 CA GLY A 96 7.326 -15.912 7.980 1.00 1.66 C ATOM 1513 C GLY A 96 6.228 -16.461 7.066 1.00 1.77 C ATOM 1514 O GLY A 96 6.109 -17.675 6.918 1.00 2.37 O ATOM 0 H GLY A 96 7.027 -14.068 8.942 1.00 1.67 H new ATOM 0 HA2 GLY A 96 8.044 -15.346 7.387 1.00 1.66 H new ATOM 0 HA3 GLY A 96 7.870 -16.741 8.434 1.00 1.66 H new ATOM 1518 N GLU A 97 5.405 -15.573 6.507 1.00 1.50 N ATOM 1519 CA GLU A 97 4.536 -15.835 5.354 1.00 1.54 C ATOM 1520 C GLU A 97 4.912 -14.936 4.177 1.00 1.31 C ATOM 1521 O GLU A 97 5.574 -13.911 4.355 1.00 1.24 O ATOM 1522 CB GLU A 97 3.076 -15.526 5.702 1.00 1.87 C ATOM 1523 CG GLU A 97 2.475 -16.549 6.643 1.00 1.89 C ATOM 1524 CD GLU A 97 2.278 -17.925 6.038 1.00 1.88 C ATOM 1525 OE1 GLU A 97 2.119 -18.047 4.803 1.00 2.70 O ATOM 1526 OE2 GLU A 97 2.226 -18.858 6.863 1.00 2.85 O ATOM 0 H GLU A 97 5.321 -14.618 6.855 1.00 1.50 H new ATOM 0 HA GLU A 97 4.660 -16.885 5.091 1.00 1.54 H new ATOM 0 HB2 GLU A 97 3.016 -14.538 6.158 1.00 1.87 H new ATOM 0 HB3 GLU A 97 2.487 -15.490 4.785 1.00 1.87 H new ATOM 0 HG2 GLU A 97 3.118 -16.640 7.518 1.00 1.89 H new ATOM 0 HG3 GLU A 97 1.511 -16.179 6.993 1.00 1.89 H new ATOM 1533 N GLU A 98 4.392 -15.295 3.006 1.00 1.33 N ATOM 1534 CA GLU A 98 4.336 -14.451 1.815 1.00 1.22 C ATOM 1535 C GLU A 98 2.892 -13.943 1.610 1.00 1.23 C ATOM 1536 O GLU A 98 1.931 -14.600 2.031 1.00 1.65 O ATOM 1537 CB GLU A 98 4.848 -15.252 0.593 1.00 1.43 C ATOM 1538 CG GLU A 98 5.787 -14.453 -0.325 1.00 2.10 C ATOM 1539 CD GLU A 98 5.102 -13.196 -0.839 1.00 3.91 C ATOM 1540 OE1 GLU A 98 5.172 -12.174 -0.130 1.00 5.17 O ATOM 1541 OE2 GLU A 98 4.360 -13.277 -1.832 1.00 4.83 O ATOM 0 H GLU A 98 3.982 -16.217 2.855 1.00 1.33 H new ATOM 0 HA GLU A 98 4.980 -13.580 1.936 1.00 1.22 H new ATOM 0 HB2 GLU A 98 5.371 -16.141 0.946 1.00 1.43 H new ATOM 0 HB3 GLU A 98 3.992 -15.595 0.011 1.00 1.43 H new ATOM 0 HG2 GLU A 98 6.691 -14.182 0.220 1.00 2.10 H new ATOM 0 HG3 GLU A 98 6.095 -15.074 -1.166 1.00 2.10 H new ATOM 1548 N VAL A 99 2.745 -12.796 0.941 1.00 0.92 N ATOM 1549 CA VAL A 99 1.485 -12.271 0.401 1.00 0.81 C ATOM 1550 C VAL A 99 1.754 -11.632 -0.963 1.00 0.98 C ATOM 1551 O VAL A 99 2.240 -10.505 -1.047 1.00 1.26 O ATOM 1552 CB VAL A 99 0.825 -11.222 1.330 1.00 0.87 C ATOM 1553 CG1 VAL A 99 -0.483 -10.671 0.707 1.00 0.89 C ATOM 1554 CG2 VAL A 99 0.501 -11.817 2.713 1.00 0.93 C ATOM 0 H VAL A 99 3.535 -12.180 0.752 1.00 0.92 H new ATOM 0 HA VAL A 99 0.794 -13.109 0.314 1.00 0.81 H new ATOM 0 HB VAL A 99 1.544 -10.411 1.449 1.00 0.87 H new ATOM 0 HG11 VAL A 99 -0.925 -9.937 1.380 1.00 0.89 H new ATOM 0 HG12 VAL A 99 -0.260 -10.198 -0.249 1.00 0.89 H new ATOM 0 HG13 VAL A 99 -1.185 -11.490 0.552 1.00 0.89 H new ATOM 0 HG21 VAL A 99 0.039 -11.053 3.339 1.00 0.93 H new ATOM 0 HG22 VAL A 99 -0.186 -12.655 2.597 1.00 0.93 H new ATOM 0 HG23 VAL A 99 1.420 -12.164 3.184 1.00 0.93 H new ATOM 1564 N GLU A 100 1.348 -12.315 -2.032 1.00 1.08 N ATOM 1565 CA GLU A 100 1.214 -11.665 -3.332 1.00 1.31 C ATOM 1566 C GLU A 100 0.101 -10.615 -3.286 1.00 1.06 C ATOM 1567 O GLU A 100 -0.968 -10.828 -2.704 1.00 0.95 O ATOM 1568 CB GLU A 100 0.883 -12.657 -4.450 1.00 1.68 C ATOM 1569 CG GLU A 100 2.081 -13.468 -4.939 1.00 2.33 C ATOM 1570 CD GLU A 100 1.804 -13.914 -6.369 1.00 2.81 C ATOM 1571 OE1 GLU A 100 0.803 -14.635 -6.595 1.00 2.51 O ATOM 1572 OE2 GLU A 100 2.450 -13.385 -7.303 1.00 4.18 O ATOM 0 H GLU A 100 1.109 -13.307 -2.024 1.00 1.08 H new ATOM 0 HA GLU A 100 2.178 -11.204 -3.548 1.00 1.31 H new ATOM 0 HB2 GLU A 100 0.113 -13.343 -4.096 1.00 1.68 H new ATOM 0 HB3 GLU A 100 0.460 -12.110 -5.293 1.00 1.68 H new ATOM 0 HG2 GLU A 100 2.989 -12.867 -4.898 1.00 2.33 H new ATOM 0 HG3 GLU A 100 2.242 -14.333 -4.296 1.00 2.33 H new ATOM 1579 N LEU A 101 0.327 -9.497 -3.977 1.00 1.17 N ATOM 1580 CA LEU A 101 -0.666 -8.446 -4.146 1.00 0.88 C ATOM 1581 C LEU A 101 -0.623 -7.869 -5.563 1.00 0.93 C ATOM 1582 O LEU A 101 0.427 -7.491 -6.081 1.00 1.10 O ATOM 1583 CB LEU A 101 -0.471 -7.429 -3.012 1.00 0.89 C ATOM 1584 CG LEU A 101 -1.437 -6.253 -2.915 1.00 1.22 C ATOM 1585 CD1 LEU A 101 -1.243 -5.508 -1.589 1.00 1.68 C ATOM 1586 CD2 LEU A 101 -1.230 -5.278 -4.081 1.00 1.90 C ATOM 0 H LEU A 101 1.215 -9.298 -4.438 1.00 1.17 H new ATOM 0 HA LEU A 101 -1.682 -8.831 -4.060 1.00 0.88 H new ATOM 0 HB2 LEU A 101 -0.515 -7.973 -2.068 1.00 0.89 H new ATOM 0 HB3 LEU A 101 0.537 -7.024 -3.100 1.00 0.89 H new ATOM 0 HG LEU A 101 -2.451 -6.650 -2.962 1.00 1.22 H new ATOM 0 HD11 LEU A 101 -1.940 -4.672 -1.536 1.00 1.68 H new ATOM 0 HD12 LEU A 101 -1.429 -6.189 -0.758 1.00 1.68 H new ATOM 0 HD13 LEU A 101 -0.221 -5.133 -1.528 1.00 1.68 H new ATOM 0 HD21 LEU A 101 -1.930 -4.448 -3.990 1.00 1.90 H new ATOM 0 HD22 LEU A 101 -0.209 -4.896 -4.059 1.00 1.90 H new ATOM 0 HD23 LEU A 101 -1.403 -5.797 -5.024 1.00 1.90 H new ATOM 1598 N ASP A 102 -1.816 -7.816 -6.142 1.00 0.83 N ATOM 1599 CA ASP A 102 -2.250 -7.396 -7.470 1.00 0.75 C ATOM 1600 C ASP A 102 -2.512 -5.867 -7.524 1.00 0.63 C ATOM 1601 O ASP A 102 -3.549 -5.406 -7.046 1.00 0.68 O ATOM 1602 CB ASP A 102 -3.572 -8.165 -7.713 1.00 0.94 C ATOM 1603 CG ASP A 102 -3.505 -9.705 -7.587 1.00 1.65 C ATOM 1604 OD1 ASP A 102 -2.700 -10.324 -8.321 1.00 1.98 O ATOM 1605 OD2 ASP A 102 -4.287 -10.261 -6.770 1.00 2.92 O ATOM 0 H ASP A 102 -2.629 -8.115 -5.603 1.00 0.83 H new ATOM 0 HA ASP A 102 -1.490 -7.606 -8.223 1.00 0.75 H new ATOM 0 HB2 ASP A 102 -4.316 -7.797 -7.007 1.00 0.94 H new ATOM 0 HB3 ASP A 102 -3.931 -7.919 -8.712 1.00 0.94 H new ATOM 1610 N LEU A 103 -1.604 -5.044 -8.075 1.00 0.58 N ATOM 1611 CA LEU A 103 -1.718 -3.573 -8.071 1.00 0.52 C ATOM 1612 C LEU A 103 -2.625 -3.088 -9.207 1.00 0.49 C ATOM 1613 O LEU A 103 -2.341 -3.358 -10.373 1.00 0.54 O ATOM 1614 CB LEU A 103 -0.325 -2.934 -8.231 1.00 0.58 C ATOM 1615 CG LEU A 103 0.700 -3.307 -7.148 1.00 0.73 C ATOM 1616 CD1 LEU A 103 2.108 -2.957 -7.647 1.00 1.10 C ATOM 1617 CD2 LEU A 103 0.392 -2.560 -5.845 1.00 1.15 C ATOM 0 H LEU A 103 -0.762 -5.383 -8.540 1.00 0.58 H new ATOM 0 HA LEU A 103 -2.156 -3.274 -7.118 1.00 0.52 H new ATOM 0 HB2 LEU A 103 0.078 -3.220 -9.203 1.00 0.58 H new ATOM 0 HB3 LEU A 103 -0.440 -1.850 -8.240 1.00 0.58 H new ATOM 0 HG LEU A 103 0.644 -4.377 -6.947 1.00 0.73 H new ATOM 0 HD11 LEU A 103 2.840 -3.219 -6.883 1.00 1.10 H new ATOM 0 HD12 LEU A 103 2.320 -3.515 -8.559 1.00 1.10 H new ATOM 0 HD13 LEU A 103 2.166 -1.888 -7.853 1.00 1.10 H new ATOM 0 HD21 LEU A 103 1.126 -2.834 -5.087 1.00 1.15 H new ATOM 0 HD22 LEU A 103 0.437 -1.485 -6.022 1.00 1.15 H new ATOM 0 HD23 LEU A 103 -0.606 -2.829 -5.498 1.00 1.15 H new ATOM 1629 N LEU A 104 -3.692 -2.351 -8.880 1.00 0.46 N ATOM 1630 CA LEU A 104 -4.742 -1.971 -9.831 1.00 0.48 C ATOM 1631 C LEU A 104 -4.521 -0.544 -10.332 1.00 0.47 C ATOM 1632 O LEU A 104 -4.481 0.407 -9.540 1.00 0.50 O ATOM 1633 CB LEU A 104 -6.140 -2.099 -9.188 1.00 0.56 C ATOM 1634 CG LEU A 104 -6.406 -3.359 -8.359 1.00 0.62 C ATOM 1635 CD1 LEU A 104 -7.857 -3.368 -7.854 1.00 0.78 C ATOM 1636 CD2 LEU A 104 -6.121 -4.666 -9.116 1.00 0.76 C ATOM 0 H LEU A 104 -3.852 -1.998 -7.937 1.00 0.46 H new ATOM 0 HA LEU A 104 -4.690 -2.653 -10.680 1.00 0.48 H new ATOM 0 HB2 LEU A 104 -6.300 -1.231 -8.548 1.00 0.56 H new ATOM 0 HB3 LEU A 104 -6.885 -2.051 -9.982 1.00 0.56 H new ATOM 0 HG LEU A 104 -5.710 -3.319 -7.521 1.00 0.62 H new ATOM 0 HD11 LEU A 104 -8.032 -4.269 -7.266 1.00 0.78 H new ATOM 0 HD12 LEU A 104 -8.031 -2.490 -7.232 1.00 0.78 H new ATOM 0 HD13 LEU A 104 -8.538 -3.351 -8.705 1.00 0.78 H new ATOM 0 HD21 LEU A 104 -6.332 -5.516 -8.467 1.00 0.76 H new ATOM 0 HD22 LEU A 104 -6.755 -4.720 -10.001 1.00 0.76 H new ATOM 0 HD23 LEU A 104 -5.074 -4.691 -9.418 1.00 0.76 H new ATOM 1648 N PHE A 105 -4.411 -0.376 -11.649 1.00 0.49 N ATOM 1649 CA PHE A 105 -4.136 0.918 -12.270 1.00 0.52 C ATOM 1650 C PHE A 105 -5.263 1.351 -13.222 1.00 0.61 C ATOM 1651 O PHE A 105 -5.958 0.527 -13.820 1.00 0.93 O ATOM 1652 CB PHE A 105 -2.797 0.836 -13.008 1.00 0.57 C ATOM 1653 CG PHE A 105 -1.591 0.437 -12.168 1.00 0.54 C ATOM 1654 CD1 PHE A 105 -0.866 1.420 -11.467 1.00 1.64 C ATOM 1655 CD2 PHE A 105 -1.172 -0.908 -12.096 1.00 1.74 C ATOM 1656 CE1 PHE A 105 0.269 1.065 -10.714 1.00 1.61 C ATOM 1657 CE2 PHE A 105 -0.028 -1.259 -11.360 1.00 1.80 C ATOM 1658 CZ PHE A 105 0.697 -0.273 -10.671 1.00 0.62 C ATOM 0 H PHE A 105 -4.511 -1.139 -12.319 1.00 0.49 H new ATOM 0 HA PHE A 105 -4.082 1.677 -11.489 1.00 0.52 H new ATOM 0 HB2 PHE A 105 -2.898 0.120 -13.824 1.00 0.57 H new ATOM 0 HB3 PHE A 105 -2.594 1.807 -13.459 1.00 0.57 H new ATOM 0 HD1 PHE A 105 -1.183 2.452 -11.507 1.00 1.64 H new ATOM 0 HD2 PHE A 105 -1.735 -1.673 -12.610 1.00 1.74 H new ATOM 0 HE1 PHE A 105 0.812 1.822 -10.168 1.00 1.61 H new ATOM 0 HE2 PHE A 105 0.295 -2.289 -11.324 1.00 1.80 H new ATOM 0 HZ PHE A 105 1.580 -0.542 -10.110 1.00 0.62 H new ATOM 1668 N ALA A 106 -5.414 2.669 -13.399 1.00 0.56 N ATOM 1669 CA ALA A 106 -6.334 3.237 -14.383 1.00 0.74 C ATOM 1670 C ALA A 106 -5.972 2.760 -15.807 1.00 1.54 C ATOM 1671 O ALA A 106 -4.799 2.774 -16.179 1.00 2.40 O ATOM 1672 CB ALA A 106 -6.313 4.771 -14.263 1.00 1.21 C ATOM 0 H ALA A 106 -4.901 3.369 -12.863 1.00 0.56 H new ATOM 0 HA ALA A 106 -7.348 2.891 -14.186 1.00 0.74 H new ATOM 0 HB1 ALA A 106 -6.997 5.203 -14.994 1.00 1.21 H new ATOM 0 HB2 ALA A 106 -6.624 5.062 -13.259 1.00 1.21 H new ATOM 0 HB3 ALA A 106 -5.303 5.137 -14.451 1.00 1.21 H new ATOM 1678 N GLY A 107 -6.977 2.341 -16.592 1.00 2.29 N ATOM 1679 CA GLY A 107 -6.807 1.869 -17.978 1.00 3.27 C ATOM 1680 C GLY A 107 -6.736 0.344 -18.163 1.00 2.67 C ATOM 1681 O GLY A 107 -6.398 -0.108 -19.251 1.00 3.93 O ATOM 0 H GLY A 107 -7.947 2.320 -16.278 1.00 2.29 H new ATOM 0 HA2 GLY A 107 -7.635 2.250 -18.575 1.00 3.27 H new ATOM 0 HA3 GLY A 107 -5.894 2.308 -18.382 1.00 3.27 H new ATOM 1685 N GLY A 108 -7.039 -0.454 -17.128 1.00 1.41 N ATOM 1686 CA GLY A 108 -7.072 -1.928 -17.213 1.00 1.54 C ATOM 1687 C GLY A 108 -5.711 -2.599 -17.006 1.00 1.42 C ATOM 1688 O GLY A 108 -5.578 -3.814 -17.133 1.00 2.12 O ATOM 0 H GLY A 108 -7.270 -0.096 -16.201 1.00 1.41 H new ATOM 0 HA2 GLY A 108 -7.769 -2.308 -16.467 1.00 1.54 H new ATOM 0 HA3 GLY A 108 -7.462 -2.216 -18.189 1.00 1.54 H new ATOM 1692 N LYS A 109 -4.689 -1.823 -16.640 1.00 0.99 N ATOM 1693 CA LYS A 109 -3.370 -2.333 -16.268 1.00 0.98 C ATOM 1694 C LYS A 109 -3.424 -2.927 -14.845 1.00 0.98 C ATOM 1695 O LYS A 109 -3.862 -2.252 -13.915 1.00 1.03 O ATOM 1696 CB LYS A 109 -2.353 -1.169 -16.367 1.00 0.92 C ATOM 1697 CG LYS A 109 -1.067 -1.429 -17.157 1.00 1.41 C ATOM 1698 CD LYS A 109 -0.071 -2.340 -16.421 1.00 3.39 C ATOM 1699 CE LYS A 109 1.346 -2.189 -17.001 1.00 4.65 C ATOM 1700 NZ LYS A 109 1.987 -0.910 -16.584 1.00 6.07 N ATOM 0 H LYS A 109 -4.757 -0.806 -16.593 1.00 0.99 H new ATOM 0 HA LYS A 109 -3.057 -3.131 -16.942 1.00 0.98 H new ATOM 0 HB2 LYS A 109 -2.859 -0.315 -16.817 1.00 0.92 H new ATOM 0 HB3 LYS A 109 -2.074 -0.877 -15.355 1.00 0.92 H new ATOM 0 HG2 LYS A 109 -1.323 -1.882 -18.115 1.00 1.41 H new ATOM 0 HG3 LYS A 109 -0.584 -0.476 -17.374 1.00 1.41 H new ATOM 0 HD2 LYS A 109 -0.062 -2.092 -15.360 1.00 3.39 H new ATOM 0 HD3 LYS A 109 -0.393 -3.378 -16.503 1.00 3.39 H new ATOM 0 HE2 LYS A 109 1.962 -3.027 -16.675 1.00 4.65 H new ATOM 0 HE3 LYS A 109 1.299 -2.233 -18.089 1.00 4.65 H new ATOM 0 HZ1 LYS A 109 2.992 -0.922 -16.851 1.00 6.07 H new ATOM 0 HZ2 LYS A 109 1.513 -0.114 -17.056 1.00 6.07 H new ATOM 0 HZ3 LYS A 109 1.904 -0.800 -15.553 1.00 6.07 H new ATOM 1714 N VAL A 110 -2.894 -4.132 -14.646 1.00 1.01 N ATOM 1715 CA VAL A 110 -2.622 -4.709 -13.320 1.00 1.01 C ATOM 1716 C VAL A 110 -1.262 -5.411 -13.318 1.00 1.09 C ATOM 1717 O VAL A 110 -0.887 -6.025 -14.318 1.00 1.27 O ATOM 1718 CB VAL A 110 -3.784 -5.611 -12.828 1.00 1.05 C ATOM 1719 CG1 VAL A 110 -4.237 -6.614 -13.905 1.00 1.15 C ATOM 1720 CG2 VAL A 110 -3.481 -6.384 -11.530 1.00 1.11 C ATOM 0 H VAL A 110 -2.634 -4.751 -15.414 1.00 1.01 H new ATOM 0 HA VAL A 110 -2.565 -3.900 -12.592 1.00 1.01 H new ATOM 0 HB VAL A 110 -4.587 -4.906 -12.613 1.00 1.05 H new ATOM 0 HG11 VAL A 110 -5.052 -7.224 -13.515 1.00 1.15 H new ATOM 0 HG12 VAL A 110 -4.579 -6.072 -14.786 1.00 1.15 H new ATOM 0 HG13 VAL A 110 -3.401 -7.258 -14.177 1.00 1.15 H new ATOM 0 HG21 VAL A 110 -4.345 -6.989 -11.257 1.00 1.11 H new ATOM 0 HG22 VAL A 110 -2.619 -7.032 -11.685 1.00 1.11 H new ATOM 0 HG23 VAL A 110 -3.264 -5.678 -10.728 1.00 1.11 H new ATOM 1730 N LEU A 111 -0.510 -5.263 -12.222 1.00 1.00 N ATOM 1731 CA LEU A 111 0.824 -5.846 -12.027 1.00 1.09 C ATOM 1732 C LEU A 111 0.951 -6.321 -10.579 1.00 1.19 C ATOM 1733 O LEU A 111 0.766 -5.533 -9.659 1.00 1.25 O ATOM 1734 CB LEU A 111 1.914 -4.793 -12.323 1.00 1.13 C ATOM 1735 CG LEU A 111 2.048 -4.345 -13.790 1.00 1.25 C ATOM 1736 CD1 LEU A 111 3.039 -3.173 -13.865 1.00 1.68 C ATOM 1737 CD2 LEU A 111 2.530 -5.481 -14.705 1.00 1.85 C ATOM 0 H LEU A 111 -0.822 -4.716 -11.419 1.00 1.00 H new ATOM 0 HA LEU A 111 0.955 -6.687 -12.708 1.00 1.09 H new ATOM 0 HB2 LEU A 111 1.714 -3.912 -11.713 1.00 1.13 H new ATOM 0 HB3 LEU A 111 2.874 -5.194 -11.998 1.00 1.13 H new ATOM 0 HG LEU A 111 1.061 -4.042 -14.139 1.00 1.25 H new ATOM 0 HD11 LEU A 111 3.141 -2.848 -14.901 1.00 1.68 H new ATOM 0 HD12 LEU A 111 2.670 -2.345 -13.260 1.00 1.68 H new ATOM 0 HD13 LEU A 111 4.010 -3.493 -13.488 1.00 1.68 H new ATOM 0 HD21 LEU A 111 2.609 -5.115 -15.729 1.00 1.85 H new ATOM 0 HD22 LEU A 111 3.506 -5.830 -14.368 1.00 1.85 H new ATOM 0 HD23 LEU A 111 1.818 -6.305 -14.668 1.00 1.85 H new ATOM 1749 N LYS A 112 1.258 -7.597 -10.360 1.00 1.38 N ATOM 1750 CA LYS A 112 1.392 -8.149 -9.009 1.00 1.56 C ATOM 1751 C LYS A 112 2.832 -8.095 -8.462 1.00 1.62 C ATOM 1752 O LYS A 112 3.787 -8.245 -9.224 1.00 1.85 O ATOM 1753 CB LYS A 112 0.738 -9.538 -8.957 1.00 1.74 C ATOM 1754 CG LYS A 112 1.305 -10.587 -9.934 1.00 1.99 C ATOM 1755 CD LYS A 112 0.189 -11.501 -10.474 1.00 1.98 C ATOM 1756 CE LYS A 112 -0.488 -12.338 -9.383 1.00 1.63 C ATOM 1757 NZ LYS A 112 0.378 -13.456 -8.952 1.00 2.47 N ATOM 0 H LYS A 112 1.420 -8.275 -11.105 1.00 1.38 H new ATOM 0 HA LYS A 112 0.849 -7.508 -8.315 1.00 1.56 H new ATOM 0 HB2 LYS A 112 0.834 -9.925 -7.943 1.00 1.74 H new ATOM 0 HB3 LYS A 112 -0.328 -9.424 -9.155 1.00 1.74 H new ATOM 0 HG2 LYS A 112 1.802 -10.085 -10.764 1.00 1.99 H new ATOM 0 HG3 LYS A 112 2.060 -11.189 -9.428 1.00 1.99 H new ATOM 0 HD2 LYS A 112 -0.563 -10.889 -10.973 1.00 1.98 H new ATOM 0 HD3 LYS A 112 0.608 -12.168 -11.227 1.00 1.98 H new ATOM 0 HE2 LYS A 112 -0.721 -11.704 -8.527 1.00 1.63 H new ATOM 0 HE3 LYS A 112 -1.434 -12.730 -9.756 1.00 1.63 H new ATOM 0 HZ1 LYS A 112 -0.061 -13.944 -8.145 1.00 2.47 H new ATOM 0 HZ2 LYS A 112 0.497 -14.126 -9.738 1.00 2.47 H new ATOM 0 HZ3 LYS A 112 1.308 -13.086 -8.669 1.00 2.47 H new ATOM 1771 N VAL A 113 2.958 -7.886 -7.149 1.00 1.49 N ATOM 1772 CA VAL A 113 4.221 -7.787 -6.385 1.00 1.62 C ATOM 1773 C VAL A 113 4.182 -8.678 -5.135 1.00 1.73 C ATOM 1774 O VAL A 113 3.114 -8.880 -4.563 1.00 1.91 O ATOM 1775 CB VAL A 113 4.540 -6.330 -5.962 1.00 1.59 C ATOM 1776 CG1 VAL A 113 4.898 -5.471 -7.184 1.00 1.62 C ATOM 1777 CG2 VAL A 113 3.410 -5.646 -5.167 1.00 1.63 C ATOM 0 H VAL A 113 2.140 -7.774 -6.550 1.00 1.49 H new ATOM 0 HA VAL A 113 5.010 -8.130 -7.054 1.00 1.62 H new ATOM 0 HB VAL A 113 5.396 -6.407 -5.292 1.00 1.59 H new ATOM 0 HG11 VAL A 113 5.118 -4.453 -6.862 1.00 1.62 H new ATOM 0 HG12 VAL A 113 5.773 -5.891 -7.680 1.00 1.62 H new ATOM 0 HG13 VAL A 113 4.058 -5.458 -7.878 1.00 1.62 H new ATOM 0 HG21 VAL A 113 3.710 -4.631 -4.908 1.00 1.63 H new ATOM 0 HG22 VAL A 113 2.506 -5.613 -5.775 1.00 1.63 H new ATOM 0 HG23 VAL A 113 3.214 -6.210 -4.255 1.00 1.63 H new ATOM 1787 N VAL A 114 5.346 -9.188 -4.720 1.00 1.69 N ATOM 1788 CA VAL A 114 5.527 -10.059 -3.546 1.00 1.67 C ATOM 1789 C VAL A 114 5.855 -9.237 -2.291 1.00 1.65 C ATOM 1790 O VAL A 114 6.649 -8.297 -2.365 1.00 2.04 O ATOM 1791 CB VAL A 114 6.570 -11.164 -3.784 1.00 2.20 C ATOM 1792 CG1 VAL A 114 6.038 -12.267 -4.715 1.00 1.55 C ATOM 1793 CG2 VAL A 114 7.834 -10.578 -4.403 1.00 3.65 C ATOM 0 H VAL A 114 6.222 -9.001 -5.208 1.00 1.69 H new ATOM 0 HA VAL A 114 4.576 -10.564 -3.380 1.00 1.67 H new ATOM 0 HB VAL A 114 6.791 -11.602 -2.811 1.00 2.20 H new ATOM 0 HG11 VAL A 114 6.807 -13.027 -4.856 1.00 1.55 H new ATOM 0 HG12 VAL A 114 5.154 -12.724 -4.270 1.00 1.55 H new ATOM 0 HG13 VAL A 114 5.776 -11.833 -5.680 1.00 1.55 H new ATOM 0 HG21 VAL A 114 8.562 -11.373 -4.565 1.00 3.65 H new ATOM 0 HG22 VAL A 114 7.589 -10.110 -5.357 1.00 3.65 H new ATOM 0 HG23 VAL A 114 8.256 -9.831 -3.730 1.00 3.65 H new ATOM 1803 N LEU A 115 5.222 -9.561 -1.156 1.00 1.35 N ATOM 1804 CA LEU A 115 5.174 -8.744 0.067 1.00 1.57 C ATOM 1805 C LEU A 115 5.188 -9.646 1.328 1.00 1.62 C ATOM 1806 O LEU A 115 4.127 -9.928 1.895 1.00 2.14 O ATOM 1807 CB LEU A 115 3.910 -7.854 0.061 1.00 1.51 C ATOM 1808 CG LEU A 115 3.658 -6.979 -1.178 1.00 1.47 C ATOM 1809 CD1 LEU A 115 2.302 -6.282 -1.016 1.00 1.98 C ATOM 1810 CD2 LEU A 115 4.726 -5.900 -1.340 1.00 1.79 C ATOM 0 H LEU A 115 4.707 -10.436 -1.059 1.00 1.35 H new ATOM 0 HA LEU A 115 6.057 -8.105 0.092 1.00 1.57 H new ATOM 0 HB2 LEU A 115 3.043 -8.501 0.196 1.00 1.51 H new ATOM 0 HB3 LEU A 115 3.957 -7.198 0.931 1.00 1.51 H new ATOM 0 HG LEU A 115 3.681 -7.625 -2.056 1.00 1.47 H new ATOM 0 HD11 LEU A 115 2.108 -5.657 -1.887 1.00 1.98 H new ATOM 0 HD12 LEU A 115 1.516 -7.032 -0.925 1.00 1.98 H new ATOM 0 HD13 LEU A 115 2.317 -5.661 -0.120 1.00 1.98 H new ATOM 0 HD21 LEU A 115 4.510 -5.305 -2.227 1.00 1.79 H new ATOM 0 HD22 LEU A 115 4.728 -5.255 -0.461 1.00 1.79 H new ATOM 0 HD23 LEU A 115 5.704 -6.369 -1.447 1.00 1.79 H new ATOM 1822 N PRO A 116 6.367 -10.066 1.823 1.00 1.19 N ATOM 1823 CA PRO A 116 6.480 -10.968 2.968 1.00 1.09 C ATOM 1824 C PRO A 116 5.881 -10.370 4.246 1.00 1.16 C ATOM 1825 O PRO A 116 5.794 -9.153 4.393 1.00 1.27 O ATOM 1826 CB PRO A 116 7.975 -11.270 3.113 1.00 0.95 C ATOM 1827 CG PRO A 116 8.639 -10.060 2.455 1.00 0.89 C ATOM 1828 CD PRO A 116 7.685 -9.745 1.310 1.00 0.94 C ATOM 0 HA PRO A 116 5.908 -11.881 2.804 1.00 1.09 H new ATOM 0 HB2 PRO A 116 8.266 -11.371 4.159 1.00 0.95 H new ATOM 0 HB3 PRO A 116 8.248 -12.200 2.615 1.00 0.95 H new ATOM 0 HG2 PRO A 116 8.734 -9.223 3.147 1.00 0.89 H new ATOM 0 HG3 PRO A 116 9.642 -10.292 2.096 1.00 0.89 H new ATOM 0 HD2 PRO A 116 7.751 -8.697 1.018 1.00 0.94 H new ATOM 0 HD3 PRO A 116 7.920 -10.338 0.426 1.00 0.94 H new ATOM 1836 N VAL A 117 5.456 -11.233 5.171 1.00 1.15 N ATOM 1837 CA VAL A 117 4.859 -10.833 6.448 1.00 1.17 C ATOM 1838 C VAL A 117 5.931 -10.538 7.496 1.00 1.22 C ATOM 1839 O VAL A 117 6.847 -11.337 7.705 1.00 1.34 O ATOM 1840 CB VAL A 117 3.870 -11.894 6.962 1.00 1.25 C ATOM 1841 CG1 VAL A 117 3.443 -11.634 8.409 1.00 1.37 C ATOM 1842 CG2 VAL A 117 2.618 -11.905 6.070 1.00 1.39 C ATOM 0 H VAL A 117 5.518 -12.244 5.053 1.00 1.15 H new ATOM 0 HA VAL A 117 4.302 -9.913 6.271 1.00 1.17 H new ATOM 0 HB VAL A 117 4.379 -12.857 6.927 1.00 1.25 H new ATOM 0 HG11 VAL A 117 2.745 -12.409 8.727 1.00 1.37 H new ATOM 0 HG12 VAL A 117 4.320 -11.648 9.055 1.00 1.37 H new ATOM 0 HG13 VAL A 117 2.959 -10.660 8.476 1.00 1.37 H new ATOM 0 HG21 VAL A 117 1.918 -12.657 6.435 1.00 1.39 H new ATOM 0 HG22 VAL A 117 2.144 -10.924 6.097 1.00 1.39 H new ATOM 0 HG23 VAL A 117 2.904 -12.142 5.045 1.00 1.39 H new ATOM 1852 N GLU A 118 5.745 -9.417 8.201 1.00 1.21 N ATOM 1853 CA GLU A 118 6.642 -8.921 9.243 1.00 1.29 C ATOM 1854 C GLU A 118 5.876 -8.060 10.275 1.00 1.42 C ATOM 1855 O GLU A 118 4.817 -7.503 9.976 1.00 1.58 O ATOM 1856 CB GLU A 118 7.791 -8.130 8.574 1.00 1.32 C ATOM 1857 CG GLU A 118 9.179 -8.479 9.124 1.00 1.80 C ATOM 1858 CD GLU A 118 9.251 -8.225 10.621 1.00 2.91 C ATOM 1859 OE1 GLU A 118 9.446 -7.057 11.012 1.00 3.72 O ATOM 1860 OE2 GLU A 118 8.946 -9.166 11.381 1.00 3.87 O ATOM 0 H GLU A 118 4.937 -8.811 8.055 1.00 1.21 H new ATOM 0 HA GLU A 118 7.064 -9.761 9.794 1.00 1.29 H new ATOM 0 HB2 GLU A 118 7.776 -8.322 7.501 1.00 1.32 H new ATOM 0 HB3 GLU A 118 7.613 -7.063 8.710 1.00 1.32 H new ATOM 0 HG2 GLU A 118 9.403 -9.526 8.918 1.00 1.80 H new ATOM 0 HG3 GLU A 118 9.937 -7.884 8.614 1.00 1.80 H new ATOM 1867 N ALA A 119 6.413 -7.922 11.489 1.00 1.56 N ATOM 1868 CA ALA A 119 5.941 -7.013 12.538 1.00 1.84 C ATOM 1869 C ALA A 119 6.444 -5.560 12.382 1.00 1.85 C ATOM 1870 O ALA A 119 6.282 -4.753 13.308 1.00 2.67 O ATOM 1871 CB ALA A 119 6.344 -7.624 13.888 1.00 2.30 C ATOM 0 H ALA A 119 7.225 -8.465 11.782 1.00 1.56 H new ATOM 0 HA ALA A 119 4.858 -6.920 12.463 1.00 1.84 H new ATOM 0 HB1 ALA A 119 6.009 -6.974 14.696 1.00 2.30 H new ATOM 0 HB2 ALA A 119 5.881 -8.605 13.996 1.00 2.30 H new ATOM 0 HB3 ALA A 119 7.428 -7.727 13.931 1.00 2.30 H new ATOM 1877 N ARG A 120 7.026 -5.215 11.226 1.00 1.88 N ATOM 1878 CA ARG A 120 7.661 -3.920 10.944 1.00 2.24 C ATOM 1879 C ARG A 120 6.708 -2.733 10.791 1.00 2.54 C ATOM 1880 O ARG A 120 7.088 -1.684 11.360 1.00 3.28 O ATOM 1881 CB ARG A 120 8.651 -4.037 9.763 1.00 2.65 C ATOM 1882 CG ARG A 120 10.130 -4.052 10.198 1.00 3.04 C ATOM 1883 CD ARG A 120 10.717 -2.651 10.446 1.00 3.17 C ATOM 1884 NE ARG A 120 9.927 -1.879 11.419 1.00 3.34 N ATOM 1885 CZ ARG A 120 9.944 -1.971 12.729 1.00 4.37 C ATOM 1886 NH1 ARG A 120 10.891 -2.578 13.385 1.00 5.07 N ATOM 1887 NH2 ARG A 120 8.937 -1.489 13.385 1.00 5.51 N ATOM 1888 OXT ARG A 120 5.642 -2.850 10.138 1.00 2.79 O ATOM 0 H ARG A 120 7.069 -5.854 10.432 1.00 1.88 H new ATOM 0 HA ARG A 120 8.219 -3.676 11.848 1.00 2.24 H new ATOM 0 HB2 ARG A 120 8.435 -4.950 9.207 1.00 2.65 H new ATOM 0 HB3 ARG A 120 8.490 -3.203 9.080 1.00 2.65 H new ATOM 0 HG2 ARG A 120 10.225 -4.643 11.109 1.00 3.04 H new ATOM 0 HG3 ARG A 120 10.720 -4.553 9.430 1.00 3.04 H new ATOM 0 HD2 ARG A 120 11.741 -2.747 10.807 1.00 3.17 H new ATOM 0 HD3 ARG A 120 10.761 -2.106 9.503 1.00 3.17 H new ATOM 0 HE ARG A 120 9.288 -1.187 11.028 1.00 3.34 H new ATOM 0 HH11 ARG A 120 11.665 -3.009 12.880 1.00 5.07 H new ATOM 0 HH12 ARG A 120 10.858 -2.622 14.404 1.00 5.07 H new ATOM 0 HH21 ARG A 120 8.162 -1.054 12.883 1.00 5.51 H new ATOM 0 HH22 ARG A 120 8.918 -1.544 14.403 1.00 5.51 H new