USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ -167:sc= 2.03 (180deg=0.231) USER MOD Set 1.2: A 92 TYR OH : rot -154:sc= 1.02 USER MOD Set 2.1: A 27 THR OG1 : rot -72:sc= -0.862 USER MOD Set 2.2: A 40 HIS : no HD1:sc= 0.741 K(o=-0.12,f=-6.7!) USER MOD Set 3.1: A 37 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Set 3.2: A 74 SER OG : rot 83:sc= 0.033 USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 1.35 (180deg=0.466) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.13 K(o=1.1,f=-0.076) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 2.34 (180deg=2.08) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00023 X(o=-0.00023,f=-0.014) USER MOD Single : A 21 ASN : amide:sc= -0.004 K(o=-0.004,f=-1.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 34 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.61) USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.152 USER MOD Single : A 44 SER OG : rot -170:sc= -0.0108 USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= 1.17 (180deg=-0.384!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 1.26 (180deg=-0.743) USER MOD Single : A 63 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.9!) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD Single : A 75 CYS SG : rot 62:sc= -3.1! USER MOD Single : A 76 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 171:sc= -0.399 (180deg=-0.525) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 88 TYR OH : rot 127:sc= 1.3 USER MOD Single : A 89 GLN : amide:sc= 0.732 K(o=0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 15.283 2.571 5.631 1.00 1.13 N ATOM 65 CA GLU A 5 14.181 3.416 6.052 1.00 1.19 C ATOM 66 C GLU A 5 13.209 3.647 4.905 1.00 1.05 C ATOM 67 O GLU A 5 13.505 3.324 3.753 1.00 1.01 O ATOM 68 CB GLU A 5 14.711 4.755 6.554 1.00 1.48 C ATOM 69 CG GLU A 5 15.662 4.638 7.731 1.00 1.61 C ATOM 70 CD GLU A 5 16.055 5.989 8.285 1.00 2.22 C ATOM 71 OE1 GLU A 5 16.869 6.685 7.644 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.567 6.353 9.375 1.00 2.57 O ATOM 0 HA GLU A 5 13.652 2.910 6.860 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.222 5.262 5.736 1.00 1.48 H new ATOM 0 HB3 GLU A 5 13.868 5.383 6.842 1.00 1.48 H new ATOM 0 HG2 GLU A 5 15.193 4.047 8.518 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.558 4.100 7.420 1.00 1.61 H new ATOM 79 N ILE A 6 12.053 4.203 5.230 1.00 1.00 N ATOM 80 CA ILE A 6 11.037 4.496 4.233 1.00 0.88 C ATOM 81 C ILE A 6 11.475 5.687 3.387 1.00 0.86 C ATOM 82 O ILE A 6 11.395 6.835 3.827 1.00 0.90 O ATOM 83 CB ILE A 6 9.670 4.807 4.888 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.294 3.707 5.886 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.590 4.949 3.824 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.160 4.085 6.821 1.00 0.92 C ATOM 0 H ILE A 6 11.794 4.462 6.182 1.00 1.00 H new ATOM 0 HA ILE A 6 10.921 3.613 3.605 1.00 0.88 H new ATOM 0 HB ILE A 6 9.751 5.751 5.426 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.013 2.810 5.334 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.172 3.454 6.480 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.635 5.168 4.302 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.851 5.762 3.147 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.510 4.019 3.261 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.953 3.255 7.496 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.444 4.963 7.401 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.267 4.309 6.238 1.00 0.92 H new ATOM 98 N LYS A 7 11.968 5.410 2.191 1.00 0.86 N ATOM 99 CA LYS A 7 12.424 6.457 1.294 1.00 0.89 C ATOM 100 C LYS A 7 11.258 6.977 0.469 1.00 0.79 C ATOM 101 O LYS A 7 10.610 6.219 -0.257 1.00 0.74 O ATOM 102 CB LYS A 7 13.533 5.931 0.376 1.00 0.99 C ATOM 103 CG LYS A 7 14.728 5.363 1.131 1.00 1.10 C ATOM 104 CD LYS A 7 15.688 4.621 0.210 1.00 1.61 C ATOM 105 CE LYS A 7 16.467 5.576 -0.676 1.00 1.77 C ATOM 106 NZ LYS A 7 17.642 4.911 -1.301 1.00 2.23 N ATOM 0 H LYS A 7 12.062 4.465 1.819 1.00 0.86 H new ATOM 0 HA LYS A 7 12.829 7.276 1.888 1.00 0.89 H new ATOM 0 HB2 LYS A 7 13.121 5.157 -0.272 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.873 6.740 -0.271 1.00 0.99 H new ATOM 0 HG2 LYS A 7 15.259 6.173 1.631 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.376 4.685 1.909 1.00 1.10 H new ATOM 0 HD2 LYS A 7 16.383 4.031 0.808 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.129 3.922 -0.412 1.00 1.61 H new ATOM 0 HE2 LYS A 7 15.812 5.966 -1.455 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.803 6.429 -0.086 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.790 5.294 -2.257 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 18.488 5.087 -0.723 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 17.470 3.887 -1.361 1.00 2.23 H new ATOM 120 N GLN A 8 10.981 8.266 0.606 1.00 0.81 N ATOM 121 CA GLN A 8 9.888 8.895 -0.121 1.00 0.78 C ATOM 122 C GLN A 8 10.194 8.963 -1.611 1.00 0.90 C ATOM 123 O GLN A 8 11.353 9.047 -2.022 1.00 1.15 O ATOM 124 CB GLN A 8 9.613 10.305 0.417 1.00 0.93 C ATOM 125 CG GLN A 8 10.854 11.175 0.498 1.00 1.29 C ATOM 126 CD GLN A 8 10.543 12.643 0.716 1.00 1.76 C ATOM 127 OE1 GLN A 8 9.422 12.931 1.361 1.00 2.52 O flip ATOM 128 NE2 GLN A 8 11.310 13.514 0.305 1.00 1.94 N flip ATOM 0 H GLN A 8 11.500 8.898 1.216 1.00 0.81 H new ATOM 0 HA GLN A 8 8.998 8.283 0.027 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.878 10.793 -0.224 1.00 0.93 H new ATOM 0 HB3 GLN A 8 9.169 10.226 1.409 1.00 0.93 H new ATOM 0 HG2 GLN A 8 11.486 10.820 1.312 1.00 1.29 H new ATOM 0 HG3 GLN A 8 11.427 11.065 -0.422 1.00 1.29 H new ATOM 0 HE21 GLN A 8 12.164 13.251 -0.187 1.00 1.94 H new ATOM 0 HE22 GLN A 8 11.092 14.499 0.457 1.00 1.94 H new ATOM 137 N GLY A 9 9.141 8.924 -2.406 1.00 0.87 N ATOM 138 CA GLY A 9 9.277 8.993 -3.842 1.00 1.04 C ATOM 139 C GLY A 9 8.103 9.711 -4.466 1.00 0.71 C ATOM 140 O GLY A 9 7.254 10.254 -3.751 1.00 0.83 O ATOM 0 H GLY A 9 8.179 8.844 -2.076 1.00 0.87 H new ATOM 0 HA2 GLY A 9 10.202 9.510 -4.098 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.351 7.986 -4.252 1.00 1.04 H new ATOM 144 N GLU A 10 8.045 9.710 -5.790 1.00 1.04 N ATOM 145 CA GLU A 10 6.962 10.370 -6.508 1.00 0.82 C ATOM 146 C GLU A 10 5.635 9.651 -6.267 1.00 0.70 C ATOM 147 O GLU A 10 5.339 8.639 -6.904 1.00 0.72 O ATOM 148 CB GLU A 10 7.269 10.437 -8.009 1.00 0.79 C ATOM 149 CG GLU A 10 7.959 9.194 -8.550 1.00 1.82 C ATOM 150 CD GLU A 10 7.961 9.143 -10.062 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.239 10.182 -10.693 1.00 3.19 O ATOM 152 OE2 GLU A 10 7.686 8.066 -10.630 1.00 2.65 O ATOM 0 H GLU A 10 8.736 9.259 -6.390 1.00 1.04 H new ATOM 0 HA GLU A 10 6.875 11.388 -6.128 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.338 10.591 -8.554 1.00 0.79 H new ATOM 0 HB3 GLU A 10 7.899 11.305 -8.203 1.00 0.79 H new ATOM 0 HG2 GLU A 10 8.987 9.166 -8.188 1.00 1.82 H new ATOM 0 HG3 GLU A 10 7.460 8.307 -8.161 1.00 1.82 H new ATOM 159 N ASN A 11 4.857 10.168 -5.314 1.00 0.63 N ATOM 160 CA ASN A 11 3.554 9.600 -4.964 1.00 0.59 C ATOM 161 C ASN A 11 3.697 8.162 -4.482 1.00 0.47 C ATOM 162 O ASN A 11 2.801 7.336 -4.679 1.00 0.44 O ATOM 163 CB ASN A 11 2.597 9.658 -6.159 1.00 0.71 C ATOM 164 CG ASN A 11 1.391 10.540 -5.899 1.00 0.73 C ATOM 165 OD1 ASN A 11 1.456 11.759 -6.053 1.00 1.10 O ATOM 166 ND2 ASN A 11 0.278 9.935 -5.512 1.00 1.38 N ATOM 0 H ASN A 11 5.111 10.989 -4.765 1.00 0.63 H new ATOM 0 HA ASN A 11 3.139 10.198 -4.153 1.00 0.59 H new ATOM 0 HB2 ASN A 11 3.134 10.031 -7.032 1.00 0.71 H new ATOM 0 HB3 ASN A 11 2.260 8.650 -6.399 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.563 10.482 -5.331 1.00 1.38 H new ATOM 0 HD22 ASN A 11 0.262 8.922 -5.395 1.00 1.38 H new ATOM 173 N LYS A 12 4.817 7.862 -3.832 1.00 0.45 N ATOM 174 CA LYS A 12 5.054 6.512 -3.347 1.00 0.43 C ATOM 175 C LYS A 12 6.140 6.473 -2.280 1.00 0.46 C ATOM 176 O LYS A 12 6.789 7.477 -1.990 1.00 0.55 O ATOM 177 CB LYS A 12 5.453 5.598 -4.511 1.00 0.50 C ATOM 178 CG LYS A 12 6.855 5.855 -5.045 1.00 0.65 C ATOM 179 CD LYS A 12 7.343 4.696 -5.900 1.00 0.59 C ATOM 180 CE LYS A 12 8.702 4.981 -6.516 1.00 0.73 C ATOM 181 NZ LYS A 12 9.046 3.997 -7.575 1.00 0.94 N ATOM 0 H LYS A 12 5.564 8.527 -3.632 1.00 0.45 H new ATOM 0 HA LYS A 12 4.125 6.161 -2.897 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.384 4.560 -4.185 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.737 5.726 -5.323 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.859 6.772 -5.635 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.541 6.009 -4.212 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.402 3.795 -5.290 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.620 4.498 -6.691 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.706 5.986 -6.939 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.465 4.959 -5.738 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.061 4.061 -7.792 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.823 3.037 -7.243 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.495 4.203 -8.433 1.00 0.94 H new ATOM 195 N PHE A 13 6.315 5.294 -1.703 1.00 0.46 N ATOM 196 CA PHE A 13 7.323 5.051 -0.685 1.00 0.50 C ATOM 197 C PHE A 13 8.059 3.767 -1.037 1.00 0.50 C ATOM 198 O PHE A 13 7.423 2.753 -1.330 1.00 0.46 O ATOM 199 CB PHE A 13 6.677 4.917 0.699 1.00 0.51 C ATOM 200 CG PHE A 13 5.977 6.158 1.173 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.702 7.264 1.587 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.595 6.216 1.210 1.00 0.54 C ATOM 203 CE1 PHE A 13 6.061 8.406 2.029 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.947 7.354 1.653 1.00 0.59 C ATOM 205 CZ PHE A 13 4.680 8.450 2.062 1.00 0.65 C ATOM 0 H PHE A 13 5.756 4.472 -1.931 1.00 0.46 H new ATOM 0 HA PHE A 13 8.017 5.891 -0.653 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.961 4.096 0.676 1.00 0.51 H new ATOM 0 HB3 PHE A 13 7.447 4.648 1.423 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.781 7.233 1.564 1.00 0.63 H new ATOM 0 HD2 PHE A 13 4.016 5.363 0.889 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.638 9.262 2.348 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.868 7.386 1.679 1.00 0.59 H new ATOM 0 HZ PHE A 13 4.175 9.340 2.407 1.00 0.65 H new ATOM 215 N TYR A 14 9.381 3.800 -1.032 1.00 0.60 N ATOM 216 CA TYR A 14 10.152 2.617 -1.377 1.00 0.64 C ATOM 217 C TYR A 14 11.332 2.420 -0.439 1.00 0.69 C ATOM 218 O TYR A 14 11.769 3.345 0.244 1.00 0.75 O ATOM 219 CB TYR A 14 10.633 2.687 -2.835 1.00 0.67 C ATOM 220 CG TYR A 14 11.597 3.816 -3.135 1.00 0.78 C ATOM 221 CD1 TYR A 14 11.134 5.087 -3.458 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.971 3.605 -3.113 1.00 0.93 C ATOM 223 CE1 TYR A 14 12.011 6.113 -3.745 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.852 4.625 -3.402 1.00 1.04 C ATOM 225 CZ TYR A 14 13.369 5.877 -3.716 1.00 1.03 C ATOM 226 OH TYR A 14 14.250 6.891 -4.011 1.00 1.16 O ATOM 0 H TYR A 14 9.937 4.622 -0.796 1.00 0.60 H new ATOM 0 HA TYR A 14 9.493 1.756 -1.266 1.00 0.64 H new ATOM 0 HB2 TYR A 14 11.113 1.742 -3.090 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.764 2.789 -3.485 1.00 0.67 H new ATOM 0 HD1 TYR A 14 10.071 5.274 -3.485 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.354 2.626 -2.865 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.636 7.095 -3.991 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.917 4.444 -3.382 1.00 1.04 H new ATOM 0 HH TYR A 14 15.169 6.556 -3.943 1.00 1.16 H new ATOM 236 N ILE A 15 11.828 1.196 -0.403 1.00 0.71 N ATOM 237 CA ILE A 15 12.960 0.841 0.432 1.00 0.78 C ATOM 238 C ILE A 15 13.989 0.079 -0.394 1.00 0.92 C ATOM 239 O ILE A 15 13.682 -0.965 -0.978 1.00 0.92 O ATOM 240 CB ILE A 15 12.532 -0.022 1.642 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.471 0.711 2.471 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.739 -0.369 2.504 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.903 -0.111 3.608 1.00 0.71 C ATOM 0 H ILE A 15 11.457 0.421 -0.952 1.00 0.71 H new ATOM 0 HA ILE A 15 13.394 1.765 0.813 1.00 0.78 H new ATOM 0 HB ILE A 15 12.099 -0.950 1.270 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.909 1.622 2.878 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.657 1.015 1.813 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.419 -0.976 3.351 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.462 -0.927 1.910 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.201 0.548 2.870 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.160 0.477 4.146 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.434 -1.010 3.208 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.706 -0.393 4.290 1.00 0.71 H new ATOM 255 N GLY A 16 15.197 0.618 -0.461 1.00 1.09 N ATOM 256 CA GLY A 16 16.257 -0.013 -1.218 1.00 1.26 C ATOM 257 C GLY A 16 17.304 0.988 -1.654 1.00 1.42 C ATOM 258 O GLY A 16 17.159 2.185 -1.399 1.00 1.52 O ATOM 0 H GLY A 16 15.463 1.488 -0.000 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.725 -0.789 -0.612 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.835 -0.504 -2.095 1.00 1.26 H new ATOM 262 N ASP A 17 18.356 0.505 -2.302 1.00 1.55 N ATOM 263 CA ASP A 17 19.435 1.374 -2.767 1.00 1.74 C ATOM 264 C ASP A 17 18.935 2.316 -3.850 1.00 1.66 C ATOM 265 O ASP A 17 18.997 3.536 -3.704 1.00 1.78 O ATOM 266 CB ASP A 17 20.604 0.546 -3.307 1.00 1.95 C ATOM 267 CG ASP A 17 21.841 1.388 -3.568 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.527 1.776 -2.600 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.128 1.678 -4.751 1.00 2.14 O ATOM 0 H ASP A 17 18.487 -0.483 -2.519 1.00 1.55 H new ATOM 0 HA ASP A 17 19.781 1.961 -1.916 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.848 -0.241 -2.593 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.301 0.055 -4.232 1.00 1.95 H new ATOM 274 N ASP A 18 18.411 1.737 -4.919 1.00 1.53 N ATOM 275 CA ASP A 18 17.901 2.510 -6.045 1.00 1.48 C ATOM 276 C ASP A 18 16.560 1.941 -6.492 1.00 1.37 C ATOM 277 O ASP A 18 16.195 0.840 -6.092 1.00 1.29 O ATOM 278 CB ASP A 18 18.912 2.472 -7.200 1.00 1.53 C ATOM 279 CG ASP A 18 18.559 3.417 -8.332 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.950 4.600 -8.268 1.00 1.60 O ATOM 281 OD2 ASP A 18 17.886 2.982 -9.289 1.00 1.41 O ATOM 0 H ASP A 18 18.327 0.727 -5.032 1.00 1.53 H new ATOM 0 HA ASP A 18 17.758 3.547 -5.740 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.901 2.726 -6.818 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.972 1.455 -7.589 1.00 1.53 H new ATOM 286 N GLU A 19 15.824 2.679 -7.313 1.00 1.41 N ATOM 287 CA GLU A 19 14.531 2.211 -7.798 1.00 1.38 C ATOM 288 C GLU A 19 14.711 1.015 -8.732 1.00 1.34 C ATOM 289 O GLU A 19 13.798 0.208 -8.908 1.00 1.34 O ATOM 290 CB GLU A 19 13.787 3.334 -8.517 1.00 1.49 C ATOM 291 CG GLU A 19 13.284 4.418 -7.581 1.00 1.76 C ATOM 292 CD GLU A 19 12.282 5.336 -8.242 1.00 2.08 C ATOM 293 OE1 GLU A 19 11.235 4.844 -8.704 1.00 2.72 O ATOM 294 OE2 GLU A 19 12.532 6.556 -8.292 1.00 2.43 O ATOM 0 H GLU A 19 16.098 3.600 -7.656 1.00 1.41 H new ATOM 0 HA GLU A 19 13.938 1.897 -6.939 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.449 3.782 -9.258 1.00 1.49 H new ATOM 0 HB3 GLU A 19 12.941 2.911 -9.059 1.00 1.49 H new ATOM 0 HG2 GLU A 19 12.826 3.955 -6.707 1.00 1.76 H new ATOM 0 HG3 GLU A 19 14.130 5.006 -7.224 1.00 1.76 H new ATOM 301 N ASN A 20 15.894 0.911 -9.331 1.00 1.37 N ATOM 302 CA ASN A 20 16.203 -0.196 -10.231 1.00 1.39 C ATOM 303 C ASN A 20 16.464 -1.466 -9.423 1.00 1.40 C ATOM 304 O ASN A 20 16.317 -2.583 -9.920 1.00 1.52 O ATOM 305 CB ASN A 20 17.426 0.147 -11.088 1.00 1.48 C ATOM 306 CG ASN A 20 17.818 -0.962 -12.051 1.00 2.08 C ATOM 307 OD1 ASN A 20 18.635 -1.824 -11.725 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.259 -0.939 -13.250 1.00 2.15 N ATOM 0 H ASN A 20 16.654 1.580 -9.209 1.00 1.37 H new ATOM 0 HA ASN A 20 15.352 -0.366 -10.890 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.220 1.055 -11.655 1.00 1.48 H new ATOM 0 HB3 ASN A 20 18.270 0.365 -10.433 1.00 1.48 H new ATOM 0 HD21 ASN A 20 17.501 -1.651 -13.939 1.00 2.15 H new ATOM 0 HD22 ASN A 20 16.586 -0.209 -13.485 1.00 2.15 H new ATOM 315 N ASN A 21 16.821 -1.280 -8.159 1.00 1.36 N ATOM 316 CA ASN A 21 17.110 -2.393 -7.265 1.00 1.38 C ATOM 317 C ASN A 21 16.478 -2.138 -5.903 1.00 1.25 C ATOM 318 O ASN A 21 17.171 -1.974 -4.895 1.00 1.23 O ATOM 319 CB ASN A 21 18.622 -2.587 -7.114 1.00 1.54 C ATOM 320 CG ASN A 21 18.993 -3.981 -6.635 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.184 -4.690 -6.034 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.228 -4.378 -6.890 1.00 2.45 N ATOM 0 H ASN A 21 16.918 -0.361 -7.727 1.00 1.36 H new ATOM 0 HA ASN A 21 16.688 -3.302 -7.693 1.00 1.38 H new ATOM 0 HB2 ASN A 21 19.105 -2.397 -8.072 1.00 1.54 H new ATOM 0 HB3 ASN A 21 19.009 -1.851 -6.410 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.540 -5.300 -6.586 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.869 -3.762 -7.390 1.00 2.45 H new ATOM 329 N ALA A 22 15.156 -2.066 -5.890 1.00 1.19 N ATOM 330 CA ALA A 22 14.418 -1.831 -4.662 1.00 1.09 C ATOM 331 C ALA A 22 13.951 -3.149 -4.063 1.00 1.06 C ATOM 332 O ALA A 22 13.613 -4.087 -4.790 1.00 1.14 O ATOM 333 CB ALA A 22 13.230 -0.912 -4.919 1.00 1.04 C ATOM 0 H ALA A 22 14.572 -2.168 -6.720 1.00 1.19 H new ATOM 0 HA ALA A 22 15.082 -1.343 -3.949 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.689 -0.747 -3.987 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.586 0.043 -5.306 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.564 -1.373 -5.648 1.00 1.04 H new ATOM 339 N LEU A 23 13.936 -3.213 -2.740 1.00 0.99 N ATOM 340 CA LEU A 23 13.512 -4.415 -2.036 1.00 0.99 C ATOM 341 C LEU A 23 12.006 -4.397 -1.830 1.00 0.87 C ATOM 342 O LEU A 23 11.376 -5.440 -1.647 1.00 0.95 O ATOM 343 CB LEU A 23 14.231 -4.524 -0.687 1.00 1.05 C ATOM 344 CG LEU A 23 15.760 -4.494 -0.755 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.348 -4.407 0.645 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.284 -5.723 -1.482 1.00 1.37 C ATOM 0 H LEU A 23 14.214 -2.444 -2.130 1.00 0.99 H new ATOM 0 HA LEU A 23 13.773 -5.284 -2.640 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.896 -3.706 -0.049 1.00 1.05 H new ATOM 0 HB3 LEU A 23 13.924 -5.452 -0.204 1.00 1.05 H new ATOM 0 HG LEU A 23 16.067 -3.610 -1.314 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.436 -4.386 0.582 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.995 -3.498 1.132 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.035 -5.274 1.226 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.373 -5.686 -1.521 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.971 -6.621 -0.950 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.885 -5.744 -2.496 1.00 1.37 H new ATOM 358 N ALA A 24 11.433 -3.197 -1.856 1.00 0.77 N ATOM 359 CA ALA A 24 9.998 -3.028 -1.683 1.00 0.66 C ATOM 360 C ALA A 24 9.573 -1.606 -2.003 1.00 0.60 C ATOM 361 O ALA A 24 10.324 -0.662 -1.756 1.00 0.67 O ATOM 362 CB ALA A 24 9.592 -3.371 -0.260 1.00 0.71 C ATOM 0 H ALA A 24 11.945 -2.326 -1.996 1.00 0.77 H new ATOM 0 HA ALA A 24 9.498 -3.706 -2.375 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.516 -3.239 -0.147 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.855 -4.407 -0.046 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.113 -2.713 0.436 1.00 0.71 H new ATOM 368 N GLU A 25 8.379 -1.457 -2.562 1.00 0.54 N ATOM 369 CA GLU A 25 7.841 -0.145 -2.880 1.00 0.52 C ATOM 370 C GLU A 25 6.320 -0.195 -2.968 1.00 0.43 C ATOM 371 O GLU A 25 5.742 -1.141 -3.511 1.00 0.45 O ATOM 372 CB GLU A 25 8.441 0.418 -4.177 1.00 0.65 C ATOM 373 CG GLU A 25 7.954 -0.251 -5.453 1.00 0.84 C ATOM 374 CD GLU A 25 7.986 0.694 -6.637 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.988 1.426 -6.793 1.00 1.33 O ATOM 376 OE2 GLU A 25 7.021 0.696 -7.436 1.00 1.02 O ATOM 0 H GLU A 25 7.764 -2.234 -2.805 1.00 0.54 H new ATOM 0 HA GLU A 25 8.122 0.529 -2.071 1.00 0.52 H new ATOM 0 HB2 GLU A 25 8.213 1.482 -4.233 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.526 0.326 -4.128 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.575 -1.121 -5.666 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.937 -0.614 -5.306 1.00 0.84 H new ATOM 383 N ILE A 26 5.682 0.810 -2.400 1.00 0.40 N ATOM 384 CA ILE A 26 4.236 0.904 -2.414 1.00 0.33 C ATOM 385 C ILE A 26 3.818 2.224 -3.056 1.00 0.33 C ATOM 386 O ILE A 26 4.363 3.281 -2.733 1.00 0.38 O ATOM 387 CB ILE A 26 3.641 0.775 -0.988 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.112 0.792 -1.039 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.159 1.881 -0.075 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.458 0.412 0.274 1.00 0.34 C ATOM 0 H ILE A 26 6.148 1.579 -1.919 1.00 0.40 H new ATOM 0 HA ILE A 26 3.843 0.075 -3.002 1.00 0.33 H new ATOM 0 HB ILE A 26 3.963 -0.181 -0.575 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.777 1.788 -1.327 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.775 0.105 -1.816 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.725 1.766 0.918 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.245 1.817 -0.006 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.878 2.852 -0.483 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.374 0.446 0.164 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.763 -0.596 0.554 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.766 1.113 1.050 1.00 0.34 H new ATOM 402 N THR A 27 2.874 2.160 -3.977 1.00 0.33 N ATOM 403 CA THR A 27 2.414 3.350 -4.665 1.00 0.35 C ATOM 404 C THR A 27 0.969 3.662 -4.307 1.00 0.37 C ATOM 405 O THR A 27 0.149 2.757 -4.157 1.00 0.41 O ATOM 406 CB THR A 27 2.538 3.183 -6.192 1.00 0.40 C ATOM 407 OG1 THR A 27 1.976 1.932 -6.598 1.00 0.60 O ATOM 408 CG2 THR A 27 3.992 3.242 -6.634 1.00 0.51 C ATOM 0 H THR A 27 2.412 1.297 -4.265 1.00 0.33 H new ATOM 0 HA THR A 27 3.046 4.178 -4.344 1.00 0.35 H new ATOM 0 HB THR A 27 1.994 4.003 -6.661 1.00 0.40 H new ATOM 0 HG1 THR A 27 2.565 1.202 -6.314 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.049 3.121 -7.716 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.419 4.205 -6.353 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.552 2.442 -6.150 1.00 0.51 H new ATOM 416 N TYR A 28 0.661 4.942 -4.164 1.00 0.39 N ATOM 417 CA TYR A 28 -0.688 5.364 -3.835 1.00 0.45 C ATOM 418 C TYR A 28 -1.099 6.512 -4.746 1.00 0.48 C ATOM 419 O TYR A 28 -0.258 7.296 -5.185 1.00 0.68 O ATOM 420 CB TYR A 28 -0.804 5.759 -2.354 1.00 0.48 C ATOM 421 CG TYR A 28 -0.004 6.984 -1.961 1.00 0.49 C ATOM 422 CD1 TYR A 28 1.350 6.890 -1.664 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.607 8.233 -1.881 1.00 0.59 C ATOM 424 CE1 TYR A 28 2.081 8.005 -1.302 1.00 0.60 C ATOM 425 CE2 TYR A 28 0.116 9.352 -1.519 1.00 0.66 C ATOM 426 CZ TYR A 28 1.458 9.233 -1.231 1.00 0.65 C ATOM 427 OH TYR A 28 2.180 10.346 -0.869 1.00 0.76 O ATOM 0 H TYR A 28 1.329 5.706 -4.271 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.367 4.527 -3.996 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -1.854 5.937 -2.121 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.480 4.918 -1.741 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.839 5.929 -1.717 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.659 8.330 -2.106 1.00 0.59 H new ATOM 0 HE1 TYR A 28 3.133 7.915 -1.076 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.368 10.316 -1.462 1.00 0.66 H new ATOM 0 HH TYR A 28 1.593 11.131 -0.868 1.00 0.76 H new ATOM 437 N ARG A 29 -2.383 6.605 -5.035 1.00 0.42 N ATOM 438 CA ARG A 29 -2.890 7.644 -5.912 1.00 0.48 C ATOM 439 C ARG A 29 -4.166 8.250 -5.348 1.00 0.48 C ATOM 440 O ARG A 29 -4.836 7.647 -4.511 1.00 0.49 O ATOM 441 CB ARG A 29 -3.156 7.050 -7.296 1.00 0.56 C ATOM 442 CG ARG A 29 -2.839 7.988 -8.448 1.00 0.93 C ATOM 443 CD ARG A 29 -1.362 8.347 -8.494 1.00 1.22 C ATOM 444 NE ARG A 29 -0.500 7.166 -8.439 1.00 1.83 N ATOM 445 CZ ARG A 29 0.814 7.195 -8.645 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.411 8.328 -8.990 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.526 6.081 -8.530 1.00 3.63 N ATOM 0 H ARG A 29 -3.096 5.972 -4.674 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.146 8.436 -5.991 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.565 6.141 -7.409 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.204 6.758 -7.358 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.129 7.519 -9.389 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -3.431 8.898 -8.350 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.154 8.903 -9.408 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.125 9.006 -7.659 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.933 6.266 -8.230 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.862 9.181 -9.098 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.419 8.346 -9.147 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.066 5.205 -8.284 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.534 6.101 -8.688 1.00 3.63 H new ATOM 461 N PHE A 30 -4.491 9.447 -5.806 1.00 0.56 N ATOM 462 CA PHE A 30 -5.688 10.144 -5.356 1.00 0.60 C ATOM 463 C PHE A 30 -6.826 9.935 -6.347 1.00 0.68 C ATOM 464 O PHE A 30 -6.796 10.470 -7.455 1.00 0.83 O ATOM 465 CB PHE A 30 -5.414 11.644 -5.194 1.00 0.66 C ATOM 466 CG PHE A 30 -4.661 11.997 -3.942 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.302 11.746 -3.836 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.315 12.579 -2.869 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.610 12.073 -2.685 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.628 12.907 -1.716 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.274 12.653 -1.623 1.00 0.82 C ATOM 0 H PHE A 30 -3.940 9.961 -6.494 1.00 0.56 H new ATOM 0 HA PHE A 30 -5.975 9.733 -4.388 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -4.848 11.995 -6.057 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.364 12.179 -5.197 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.778 11.290 -4.662 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.374 12.779 -2.934 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.551 11.875 -2.617 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.150 13.362 -0.887 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.736 12.907 -0.722 1.00 0.82 H new ATOM 481 N VAL A 31 -7.825 9.157 -5.947 1.00 0.62 N ATOM 482 CA VAL A 31 -8.966 8.885 -6.819 1.00 0.70 C ATOM 483 C VAL A 31 -9.932 10.063 -6.845 1.00 0.73 C ATOM 484 O VAL A 31 -10.586 10.325 -7.858 1.00 0.83 O ATOM 485 CB VAL A 31 -9.736 7.611 -6.402 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.998 6.364 -6.854 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.977 7.577 -4.901 1.00 0.67 C ATOM 0 H VAL A 31 -7.871 8.706 -5.033 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.554 8.726 -7.815 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.708 7.634 -6.896 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.558 5.480 -6.550 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.897 6.374 -7.939 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -8.008 6.341 -6.398 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.521 6.669 -4.640 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.020 7.590 -4.379 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.563 8.448 -4.607 1.00 0.67 H new ATOM 497 N ASP A 32 -10.024 10.771 -5.727 1.00 0.72 N ATOM 498 CA ASP A 32 -10.908 11.923 -5.629 1.00 0.84 C ATOM 499 C ASP A 32 -10.199 13.083 -4.941 1.00 0.97 C ATOM 500 O ASP A 32 -9.642 13.958 -5.606 1.00 1.74 O ATOM 501 CB ASP A 32 -12.201 11.561 -4.885 1.00 0.84 C ATOM 502 CG ASP A 32 -13.243 12.660 -4.965 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.833 12.846 -6.049 1.00 1.16 O ATOM 504 OD2 ASP A 32 -13.485 13.339 -3.947 1.00 1.16 O ATOM 0 H ASP A 32 -9.498 10.568 -4.877 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.176 12.232 -6.639 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.613 10.643 -5.304 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.970 11.359 -3.839 1.00 0.84 H new ATOM 509 N ASN A 33 -10.204 13.086 -3.615 1.00 0.89 N ATOM 510 CA ASN A 33 -9.553 14.147 -2.852 1.00 0.95 C ATOM 511 C ASN A 33 -9.107 13.630 -1.494 1.00 0.84 C ATOM 512 O ASN A 33 -7.930 13.683 -1.150 1.00 1.07 O ATOM 513 CB ASN A 33 -10.503 15.336 -2.673 1.00 1.09 C ATOM 514 CG ASN A 33 -9.929 16.431 -1.787 1.00 1.82 C ATOM 515 OD1 ASN A 33 -10.091 16.408 -0.567 1.00 2.09 O ATOM 516 ND2 ASN A 33 -9.260 17.398 -2.394 1.00 2.72 N ATOM 0 H ASN A 33 -10.650 12.368 -3.044 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.675 14.478 -3.406 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.739 15.755 -3.651 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.440 14.983 -2.243 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -8.857 18.160 -1.848 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -9.147 17.382 -3.408 1.00 2.72 H new ATOM 523 N ASN A 34 -10.060 13.121 -0.729 1.00 0.73 N ATOM 524 CA ASN A 34 -9.784 12.599 0.602 1.00 0.86 C ATOM 525 C ASN A 34 -9.732 11.071 0.574 1.00 0.88 C ATOM 526 O ASN A 34 -9.824 10.407 1.608 1.00 1.22 O ATOM 527 CB ASN A 34 -10.860 13.082 1.585 1.00 1.01 C ATOM 528 CG ASN A 34 -10.357 13.172 3.013 1.00 1.35 C ATOM 529 OD1 ASN A 34 -9.748 14.167 3.413 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.618 12.139 3.795 1.00 1.83 N ATOM 0 H ASN A 34 -11.039 13.058 -1.009 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.814 12.969 0.933 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.220 14.061 1.269 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.711 12.402 1.547 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.313 12.146 4.768 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.125 11.335 3.425 1.00 1.83 H new ATOM 537 N GLU A 35 -9.581 10.515 -0.620 1.00 0.64 N ATOM 538 CA GLU A 35 -9.512 9.070 -0.792 1.00 0.62 C ATOM 539 C GLU A 35 -8.272 8.705 -1.594 1.00 0.57 C ATOM 540 O GLU A 35 -8.055 9.235 -2.690 1.00 0.59 O ATOM 541 CB GLU A 35 -10.757 8.541 -1.512 1.00 0.68 C ATOM 542 CG GLU A 35 -12.041 9.279 -1.175 1.00 1.01 C ATOM 543 CD GLU A 35 -13.251 8.682 -1.866 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.138 8.307 -3.052 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.319 8.587 -1.228 1.00 2.25 O ATOM 0 H GLU A 35 -9.504 11.045 -1.488 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.462 8.613 0.196 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.591 8.599 -2.588 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.883 7.487 -1.265 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.196 9.259 -0.096 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.941 10.325 -1.463 1.00 1.01 H new ATOM 552 N ILE A 36 -7.459 7.810 -1.052 1.00 0.52 N ATOM 553 CA ILE A 36 -6.244 7.377 -1.728 1.00 0.48 C ATOM 554 C ILE A 36 -6.276 5.878 -1.969 1.00 0.46 C ATOM 555 O ILE A 36 -6.642 5.096 -1.086 1.00 0.53 O ATOM 556 CB ILE A 36 -4.970 7.748 -0.936 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.119 7.381 0.544 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.670 9.229 -1.093 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.845 7.555 1.345 1.00 0.51 C ATOM 0 H ILE A 36 -7.618 7.369 -0.146 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.208 7.902 -2.683 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.134 7.177 -1.340 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.902 7.997 0.985 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.448 6.345 0.621 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.770 9.480 -0.531 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.515 9.459 -2.147 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.509 9.812 -0.714 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.027 7.276 2.383 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.064 6.918 0.930 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.526 8.596 1.299 1.00 0.51 H new ATOM 571 N ASN A 37 -5.900 5.481 -3.171 1.00 0.44 N ATOM 572 CA ASN A 37 -5.892 4.075 -3.539 1.00 0.46 C ATOM 573 C ASN A 37 -4.471 3.591 -3.769 1.00 0.42 C ATOM 574 O ASN A 37 -3.636 4.314 -4.308 1.00 0.50 O ATOM 575 CB ASN A 37 -6.742 3.837 -4.798 1.00 0.54 C ATOM 576 CG ASN A 37 -6.047 4.264 -6.083 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.972 5.452 -6.398 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.556 3.297 -6.847 1.00 0.98 N ATOM 0 H ASN A 37 -5.595 6.113 -3.911 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.325 3.508 -2.715 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -6.993 2.778 -4.864 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.681 4.382 -4.702 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.097 3.527 -7.729 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.637 2.324 -6.553 1.00 0.98 H new ATOM 585 N ILE A 38 -4.196 2.378 -3.329 1.00 0.36 N ATOM 586 CA ILE A 38 -2.885 1.786 -3.507 1.00 0.33 C ATOM 587 C ILE A 38 -2.792 1.162 -4.893 1.00 0.41 C ATOM 588 O ILE A 38 -3.498 0.197 -5.197 1.00 0.53 O ATOM 589 CB ILE A 38 -2.596 0.724 -2.425 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.537 1.387 -1.047 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.294 -0.004 -2.722 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.794 0.435 0.097 1.00 0.69 C ATOM 0 H ILE A 38 -4.866 1.782 -2.844 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.137 2.572 -3.409 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.403 -0.009 -2.430 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.556 1.843 -0.915 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.271 2.192 -1.009 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.108 -0.748 -1.948 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.366 -0.498 -3.691 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.473 0.712 -2.741 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.736 0.977 1.041 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.787 -0.003 -0.010 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -2.045 -0.357 0.086 1.00 0.69 H new ATOM 604 N ASP A 39 -1.939 1.739 -5.730 1.00 0.52 N ATOM 605 CA ASP A 39 -1.753 1.259 -7.092 1.00 0.73 C ATOM 606 C ASP A 39 -1.172 -0.148 -7.084 1.00 0.50 C ATOM 607 O ASP A 39 -1.758 -1.067 -7.648 1.00 0.64 O ATOM 608 CB ASP A 39 -0.839 2.199 -7.887 1.00 1.08 C ATOM 609 CG ASP A 39 -1.583 3.357 -8.522 1.00 1.73 C ATOM 610 OD1 ASP A 39 -2.651 3.126 -9.127 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.090 4.506 -8.438 1.00 2.47 O ATOM 0 H ASP A 39 -1.362 2.545 -5.487 1.00 0.52 H new ATOM 0 HA ASP A 39 -2.729 1.238 -7.577 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.067 2.591 -7.225 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.332 1.630 -8.666 1.00 1.08 H new ATOM 616 N HIS A 40 -0.021 -0.309 -6.435 1.00 0.37 N ATOM 617 CA HIS A 40 0.627 -1.612 -6.345 1.00 0.44 C ATOM 618 C HIS A 40 1.558 -1.691 -5.140 1.00 0.39 C ATOM 619 O HIS A 40 1.979 -0.670 -4.590 1.00 0.42 O ATOM 620 CB HIS A 40 1.405 -1.944 -7.637 1.00 0.72 C ATOM 621 CG HIS A 40 2.614 -1.083 -7.894 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.673 -0.154 -8.911 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.821 -1.030 -7.275 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.857 0.429 -8.906 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.569 -0.083 -7.924 1.00 1.64 N ATOM 0 H HIS A 40 0.480 0.445 -5.965 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.163 -2.352 -6.217 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.723 -2.986 -7.594 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.726 -1.853 -8.485 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.133 -1.624 -6.429 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.186 1.196 -9.591 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.524 0.183 -7.685 1.00 1.64 H new ATOM 634 N THR A 41 1.867 -2.912 -4.741 1.00 0.41 N ATOM 635 CA THR A 41 2.761 -3.166 -3.625 1.00 0.45 C ATOM 636 C THR A 41 3.762 -4.254 -4.012 1.00 0.54 C ATOM 637 O THR A 41 3.457 -5.445 -3.945 1.00 0.73 O ATOM 638 CB THR A 41 1.978 -3.600 -2.367 1.00 0.48 C ATOM 639 OG1 THR A 41 0.740 -2.877 -2.293 1.00 0.48 O ATOM 640 CG2 THR A 41 2.794 -3.344 -1.108 1.00 0.55 C ATOM 0 H THR A 41 1.504 -3.757 -5.182 1.00 0.41 H new ATOM 0 HA THR A 41 3.289 -2.242 -3.391 1.00 0.45 H new ATOM 0 HB THR A 41 1.775 -4.669 -2.439 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.482 -2.765 -1.354 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.223 -3.657 -0.234 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.724 -3.911 -1.156 1.00 0.55 H new ATOM 0 HG23 THR A 41 3.021 -2.281 -1.031 1.00 0.55 H new ATOM 648 N GLY A 42 4.946 -3.838 -4.438 1.00 0.55 N ATOM 649 CA GLY A 42 5.957 -4.790 -4.856 1.00 0.66 C ATOM 650 C GLY A 42 7.039 -4.985 -3.819 1.00 0.64 C ATOM 651 O GLY A 42 7.772 -4.052 -3.491 1.00 0.70 O ATOM 0 H GLY A 42 5.225 -2.859 -4.502 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.483 -5.749 -5.065 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.409 -4.448 -5.787 1.00 0.66 H new ATOM 655 N VAL A 43 7.129 -6.200 -3.295 1.00 0.67 N ATOM 656 CA VAL A 43 8.132 -6.540 -2.294 1.00 0.71 C ATOM 657 C VAL A 43 8.917 -7.770 -2.734 1.00 0.74 C ATOM 658 O VAL A 43 8.338 -8.728 -3.246 1.00 0.82 O ATOM 659 CB VAL A 43 7.491 -6.829 -0.916 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.548 -7.157 0.125 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.638 -5.659 -0.451 1.00 0.80 C ATOM 0 H VAL A 43 6.514 -6.973 -3.549 1.00 0.67 H new ATOM 0 HA VAL A 43 8.796 -5.681 -2.198 1.00 0.71 H new ATOM 0 HB VAL A 43 6.845 -7.699 -1.034 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.066 -7.355 1.083 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.107 -8.038 -0.189 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.230 -6.313 0.230 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.200 -5.891 0.520 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.259 -4.767 -0.366 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.842 -5.479 -1.174 1.00 0.80 H new ATOM 671 N SER A 44 10.230 -7.738 -2.560 1.00 0.82 N ATOM 672 CA SER A 44 11.063 -8.872 -2.919 1.00 0.90 C ATOM 673 C SER A 44 10.981 -9.936 -1.827 1.00 1.01 C ATOM 674 O SER A 44 11.692 -9.887 -0.820 1.00 1.32 O ATOM 675 CB SER A 44 12.504 -8.437 -3.114 1.00 1.27 C ATOM 676 OG SER A 44 12.578 -7.195 -3.799 1.00 1.83 O ATOM 0 H SER A 44 10.738 -6.942 -2.174 1.00 0.82 H new ATOM 0 HA SER A 44 10.700 -9.289 -3.858 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.995 -8.350 -2.145 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.043 -9.199 -3.677 1.00 1.27 H new ATOM 0 HG SER A 44 13.508 -7.015 -4.051 1.00 1.83 H new ATOM 759 N GLY A 51 9.252 -8.280 5.907 1.00 1.01 N ATOM 760 CA GLY A 51 8.659 -7.420 6.917 1.00 1.11 C ATOM 761 C GLY A 51 8.409 -6.011 6.412 1.00 0.88 C ATOM 762 O GLY A 51 7.505 -5.323 6.889 1.00 0.86 O ATOM 0 HA2 GLY A 51 7.717 -7.855 7.251 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.317 -7.379 7.785 1.00 1.11 H new ATOM 766 N VAL A 52 9.197 -5.593 5.427 1.00 0.80 N ATOM 767 CA VAL A 52 9.082 -4.252 4.854 1.00 0.68 C ATOM 768 C VAL A 52 7.705 -4.013 4.235 1.00 0.58 C ATOM 769 O VAL A 52 7.251 -2.872 4.143 1.00 0.56 O ATOM 770 CB VAL A 52 10.163 -3.992 3.788 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.542 -3.948 4.421 1.00 0.91 C ATOM 772 CG2 VAL A 52 10.114 -5.050 2.701 1.00 1.14 C ATOM 0 H VAL A 52 9.928 -6.166 5.005 1.00 0.80 H new ATOM 0 HA VAL A 52 9.223 -3.557 5.682 1.00 0.68 H new ATOM 0 HB VAL A 52 9.961 -3.022 3.333 1.00 0.70 H new ATOM 0 HG11 VAL A 52 12.290 -3.763 3.650 1.00 0.91 H new ATOM 0 HG12 VAL A 52 11.578 -3.148 5.160 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.750 -4.901 4.907 1.00 0.91 H new ATOM 0 HG21 VAL A 52 10.886 -4.846 1.959 1.00 1.14 H new ATOM 0 HG22 VAL A 52 10.285 -6.032 3.141 1.00 1.14 H new ATOM 0 HG23 VAL A 52 9.136 -5.033 2.220 1.00 1.14 H new ATOM 782 N GLY A 53 7.044 -5.094 3.821 1.00 0.59 N ATOM 783 CA GLY A 53 5.724 -4.979 3.229 1.00 0.58 C ATOM 784 C GLY A 53 4.728 -4.373 4.192 1.00 0.51 C ATOM 785 O GLY A 53 3.894 -3.554 3.808 1.00 0.50 O ATOM 0 H GLY A 53 7.402 -6.047 3.886 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.781 -4.365 2.330 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.377 -5.965 2.920 1.00 0.58 H new ATOM 789 N LYS A 54 4.834 -4.758 5.460 1.00 0.52 N ATOM 790 CA LYS A 54 3.943 -4.247 6.487 1.00 0.50 C ATOM 791 C LYS A 54 4.336 -2.824 6.858 1.00 0.48 C ATOM 792 O LYS A 54 3.479 -1.975 7.107 1.00 0.48 O ATOM 793 CB LYS A 54 3.983 -5.145 7.727 1.00 0.59 C ATOM 794 CG LYS A 54 3.671 -6.606 7.440 1.00 0.75 C ATOM 795 CD LYS A 54 2.963 -7.264 8.612 1.00 1.08 C ATOM 796 CE LYS A 54 1.527 -6.783 8.736 1.00 1.49 C ATOM 797 NZ LYS A 54 0.937 -7.121 10.057 1.00 2.02 N ATOM 0 H LYS A 54 5.530 -5.423 5.798 1.00 0.52 H new ATOM 0 HA LYS A 54 2.926 -4.243 6.095 1.00 0.50 H new ATOM 0 HB2 LYS A 54 4.972 -5.077 8.181 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.269 -4.768 8.460 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.047 -6.678 6.549 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.596 -7.141 7.225 1.00 0.75 H new ATOM 0 HD2 LYS A 54 2.976 -8.346 8.485 1.00 1.08 H new ATOM 0 HD3 LYS A 54 3.502 -7.045 9.534 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.493 -5.703 8.590 1.00 1.49 H new ATOM 0 HE3 LYS A 54 0.925 -7.231 7.945 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 0.414 -6.300 10.424 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 0.288 -7.926 9.951 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.696 -7.373 10.722 1.00 2.02 H new ATOM 811 N LYS A 55 5.637 -2.572 6.871 1.00 0.51 N ATOM 812 CA LYS A 55 6.173 -1.260 7.206 1.00 0.54 C ATOM 813 C LYS A 55 5.721 -0.205 6.197 1.00 0.47 C ATOM 814 O LYS A 55 5.299 0.890 6.571 1.00 0.48 O ATOM 815 CB LYS A 55 7.700 -1.334 7.247 1.00 0.65 C ATOM 816 CG LYS A 55 8.374 -0.060 7.729 1.00 1.28 C ATOM 817 CD LYS A 55 9.887 -0.211 7.740 1.00 1.72 C ATOM 818 CE LYS A 55 10.573 1.024 8.297 1.00 2.30 C ATOM 819 NZ LYS A 55 12.050 0.860 8.342 1.00 2.57 N ATOM 0 H LYS A 55 6.349 -3.268 6.650 1.00 0.51 H new ATOM 0 HA LYS A 55 5.794 -0.966 8.185 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.995 -2.156 7.899 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.068 -1.571 6.249 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.093 0.771 7.082 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.023 0.184 8.732 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.161 -1.080 8.338 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.241 -0.397 6.726 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.321 1.888 7.682 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.199 1.227 9.300 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.484 1.723 8.728 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.291 0.050 8.949 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.410 0.692 7.381 1.00 2.57 H new ATOM 833 N LEU A 56 5.796 -0.550 4.915 1.00 0.46 N ATOM 834 CA LEU A 56 5.401 0.370 3.854 1.00 0.45 C ATOM 835 C LEU A 56 3.902 0.639 3.881 1.00 0.38 C ATOM 836 O LEU A 56 3.472 1.787 3.752 1.00 0.37 O ATOM 837 CB LEU A 56 5.815 -0.178 2.490 1.00 0.54 C ATOM 838 CG LEU A 56 7.280 0.053 2.117 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.564 -0.503 0.735 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.625 1.533 2.179 1.00 0.85 C ATOM 0 H LEU A 56 6.126 -1.458 4.586 1.00 0.46 H new ATOM 0 HA LEU A 56 5.915 1.315 4.026 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.615 -1.249 2.470 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.185 0.278 1.726 1.00 0.54 H new ATOM 0 HG LEU A 56 7.906 -0.471 2.839 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.610 -0.332 0.482 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.358 -1.573 0.724 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.928 -0.004 0.004 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.672 1.674 1.910 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.994 2.083 1.481 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.457 1.904 3.190 1.00 0.85 H new ATOM 852 N LEU A 57 3.110 -0.413 4.052 1.00 0.37 N ATOM 853 CA LEU A 57 1.663 -0.262 4.106 1.00 0.36 C ATOM 854 C LEU A 57 1.281 0.600 5.303 1.00 0.34 C ATOM 855 O LEU A 57 0.370 1.422 5.223 1.00 0.37 O ATOM 856 CB LEU A 57 0.968 -1.625 4.197 1.00 0.43 C ATOM 857 CG LEU A 57 -0.560 -1.571 4.103 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.998 -1.146 2.711 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.169 -2.913 4.466 1.00 0.71 C ATOM 0 H LEU A 57 3.443 -1.372 4.155 1.00 0.37 H new ATOM 0 HA LEU A 57 1.334 0.224 3.188 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.345 -2.264 3.399 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.244 -2.096 5.140 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.917 -0.829 4.817 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.087 -1.114 2.666 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.597 -0.157 2.489 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.625 -1.862 1.978 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.255 -2.852 4.392 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.801 -3.677 3.781 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.889 -3.176 5.486 1.00 0.71 H new ATOM 871 N LYS A 58 2.007 0.418 6.402 1.00 0.36 N ATOM 872 CA LYS A 58 1.760 1.175 7.617 1.00 0.42 C ATOM 873 C LYS A 58 2.014 2.658 7.387 1.00 0.41 C ATOM 874 O LYS A 58 1.311 3.500 7.930 1.00 0.44 O ATOM 875 CB LYS A 58 2.643 0.673 8.756 1.00 0.50 C ATOM 876 CG LYS A 58 2.431 1.417 10.064 1.00 0.74 C ATOM 877 CD LYS A 58 3.409 0.956 11.126 1.00 1.10 C ATOM 878 CE LYS A 58 3.470 1.936 12.284 1.00 1.13 C ATOM 879 NZ LYS A 58 2.135 2.161 12.896 1.00 1.39 N ATOM 0 H LYS A 58 2.774 -0.251 6.472 1.00 0.36 H new ATOM 0 HA LYS A 58 0.715 1.033 7.892 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.448 -0.388 8.915 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.688 0.764 8.461 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.549 2.488 9.899 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.411 1.259 10.413 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.113 -0.026 11.494 1.00 1.10 H new ATOM 0 HD3 LYS A 58 4.401 0.847 10.687 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.157 1.559 13.042 1.00 1.13 H new ATOM 0 HE3 LYS A 58 3.873 2.886 11.933 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 2.246 2.348 13.913 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 1.678 2.977 12.442 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 1.545 1.315 12.762 1.00 1.39 H new ATOM 893 N ALA A 59 3.019 2.971 6.577 1.00 0.43 N ATOM 894 CA ALA A 59 3.353 4.357 6.274 1.00 0.48 C ATOM 895 C ALA A 59 2.166 5.057 5.622 1.00 0.44 C ATOM 896 O ALA A 59 1.829 6.191 5.961 1.00 0.47 O ATOM 897 CB ALA A 59 4.572 4.426 5.367 1.00 0.56 C ATOM 0 H ALA A 59 3.617 2.283 6.118 1.00 0.43 H new ATOM 0 HA ALA A 59 3.589 4.868 7.208 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.807 5.468 5.151 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.422 3.958 5.864 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.362 3.901 4.435 1.00 0.56 H new ATOM 903 N VAL A 60 1.526 4.357 4.694 1.00 0.39 N ATOM 904 CA VAL A 60 0.366 4.893 3.998 1.00 0.38 C ATOM 905 C VAL A 60 -0.829 4.991 4.945 1.00 0.37 C ATOM 906 O VAL A 60 -1.483 6.030 5.029 1.00 0.40 O ATOM 907 CB VAL A 60 -0.011 4.022 2.779 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.233 4.579 2.064 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.162 3.916 1.817 1.00 0.41 C ATOM 0 H VAL A 60 1.792 3.415 4.406 1.00 0.39 H new ATOM 0 HA VAL A 60 0.629 5.890 3.643 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.257 3.024 3.143 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.475 3.946 1.210 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.079 4.600 2.752 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.022 5.591 1.717 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.879 3.299 0.964 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.438 4.911 1.469 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.011 3.462 2.327 1.00 0.41 H new ATOM 919 N VAL A 61 -1.085 3.912 5.679 1.00 0.36 N ATOM 920 CA VAL A 61 -2.203 3.864 6.620 1.00 0.40 C ATOM 921 C VAL A 61 -2.061 4.925 7.713 1.00 0.44 C ATOM 922 O VAL A 61 -3.031 5.596 8.066 1.00 0.49 O ATOM 923 CB VAL A 61 -2.331 2.466 7.268 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.390 2.464 8.365 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.656 1.416 6.213 1.00 0.43 C ATOM 0 H VAL A 61 -0.532 3.056 5.641 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.107 4.072 6.048 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.372 2.218 7.724 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.458 1.468 8.803 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.115 3.182 9.138 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.355 2.740 7.940 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.742 0.438 6.687 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.599 1.668 5.727 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.860 1.389 5.469 1.00 0.43 H new ATOM 935 N GLU A 62 -0.849 5.078 8.236 1.00 0.47 N ATOM 936 CA GLU A 62 -0.582 6.062 9.280 1.00 0.54 C ATOM 937 C GLU A 62 -0.875 7.464 8.765 1.00 0.55 C ATOM 938 O GLU A 62 -1.562 8.247 9.420 1.00 0.61 O ATOM 939 CB GLU A 62 0.870 5.965 9.754 1.00 0.61 C ATOM 940 CG GLU A 62 1.118 6.623 11.101 1.00 1.05 C ATOM 941 CD GLU A 62 1.959 5.758 12.015 1.00 1.17 C ATOM 942 OE1 GLU A 62 1.469 4.694 12.452 1.00 1.76 O ATOM 943 OE2 GLU A 62 3.115 6.134 12.304 1.00 1.53 O ATOM 0 H GLU A 62 -0.035 4.532 7.954 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.235 5.853 10.127 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.154 4.914 9.815 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.518 6.427 9.009 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.617 7.580 10.949 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.163 6.834 11.581 1.00 1.05 H new ATOM 950 N HIS A 63 -0.377 7.763 7.567 1.00 0.54 N ATOM 951 CA HIS A 63 -0.597 9.066 6.951 1.00 0.61 C ATOM 952 C HIS A 63 -2.085 9.266 6.691 1.00 0.61 C ATOM 953 O HIS A 63 -2.602 10.384 6.768 1.00 0.69 O ATOM 954 CB HIS A 63 0.195 9.184 5.646 1.00 0.67 C ATOM 955 CG HIS A 63 0.259 10.579 5.103 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.377 11.700 5.902 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.223 11.033 3.829 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.409 12.777 5.140 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.316 12.399 3.880 1.00 1.04 N ATOM 0 H HIS A 63 0.181 7.120 7.005 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.248 9.843 7.631 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.209 8.822 5.813 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.256 8.533 4.897 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.431 11.696 6.921 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.137 10.430 2.937 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.497 13.795 5.489 1.00 0.97 H new ATOM 968 N ALA A 64 -2.767 8.168 6.389 1.00 0.56 N ATOM 969 CA ALA A 64 -4.196 8.202 6.140 1.00 0.62 C ATOM 970 C ALA A 64 -4.942 8.520 7.424 1.00 0.70 C ATOM 971 O ALA A 64 -5.948 9.217 7.405 1.00 0.85 O ATOM 972 CB ALA A 64 -4.672 6.884 5.559 1.00 0.61 C ATOM 0 H ALA A 64 -2.348 7.241 6.311 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.403 8.986 5.412 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.746 6.932 5.380 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.156 6.694 4.618 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.457 6.078 6.261 1.00 0.61 H new ATOM 978 N ARG A 65 -4.437 8.012 8.543 1.00 0.69 N ATOM 979 CA ARG A 65 -5.047 8.268 9.841 1.00 0.82 C ATOM 980 C ARG A 65 -4.907 9.746 10.189 1.00 0.85 C ATOM 981 O ARG A 65 -5.843 10.368 10.689 1.00 0.96 O ATOM 982 CB ARG A 65 -4.398 7.413 10.936 1.00 0.89 C ATOM 983 CG ARG A 65 -4.892 5.975 10.978 1.00 1.36 C ATOM 984 CD ARG A 65 -4.657 5.356 12.347 1.00 1.44 C ATOM 985 NE ARG A 65 -5.129 3.972 12.425 1.00 2.20 N ATOM 986 CZ ARG A 65 -6.302 3.609 12.947 1.00 2.25 C ATOM 987 NH1 ARG A 65 -7.152 4.529 13.390 1.00 1.87 N ATOM 988 NH2 ARG A 65 -6.629 2.324 13.021 1.00 3.12 N ATOM 0 H ARG A 65 -3.607 7.421 8.576 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.102 8.001 9.783 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -3.318 7.410 10.787 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.585 7.878 11.904 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.955 5.945 10.739 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -4.378 5.388 10.217 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -3.592 5.387 12.578 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.165 5.953 13.104 1.00 1.44 H new ATOM 0 HE ARG A 65 -4.523 3.239 12.057 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.909 5.518 13.332 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -8.048 4.246 13.788 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -5.983 1.613 12.679 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -7.526 2.048 13.420 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.734 10.305 9.895 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.457 11.714 10.169 1.00 0.88 C ATOM 1004 C GLU A 66 -4.415 12.622 9.406 1.00 0.89 C ATOM 1005 O GLU A 66 -5.112 13.446 9.995 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.023 12.078 9.771 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.968 11.125 10.298 1.00 1.05 C ATOM 1008 CD GLU A 66 0.424 11.493 9.828 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.654 11.550 8.594 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.297 11.728 10.687 1.00 1.38 O ATOM 0 H GLU A 66 -2.958 9.801 9.466 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.591 11.862 11.241 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.957 12.109 8.683 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.802 13.082 10.133 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.993 11.125 11.388 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.203 10.111 9.974 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.451 12.453 8.090 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.297 13.278 7.226 1.00 0.87 C ATOM 1019 C ASN A 67 -6.737 12.773 7.166 1.00 0.89 C ATOM 1020 O ASN A 67 -7.579 13.378 6.499 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.720 13.309 5.810 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.635 14.354 5.614 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.844 14.609 6.645 1.00 1.40 O flip ATOM 1024 ND2 ASN A 67 -3.504 14.921 4.531 1.00 1.09 N flip ATOM 0 H ASN A 67 -3.903 11.750 7.593 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.311 14.280 7.656 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.313 12.326 5.572 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.527 13.499 5.103 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -4.133 14.698 3.759 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.767 15.614 4.404 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.009 11.667 7.857 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.342 11.054 7.884 1.00 0.94 C ATOM 1033 C ASN A 68 -8.785 10.667 6.475 1.00 0.87 C ATOM 1034 O ASN A 68 -9.954 10.805 6.117 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.379 11.993 8.522 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.632 11.684 9.986 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.330 10.727 10.324 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -9.080 12.501 10.868 1.00 2.18 N ATOM 0 H ASN A 68 -6.315 11.169 8.414 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.277 10.154 8.495 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.036 13.023 8.427 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.317 11.917 7.972 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -9.227 12.349 11.866 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -8.508 13.283 10.550 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.851 10.155 5.690 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.126 9.760 4.315 1.00 0.73 C ATOM 1047 C LEU A 69 -8.723 8.359 4.257 1.00 0.70 C ATOM 1048 O LEU A 69 -8.605 7.582 5.205 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.842 9.793 3.483 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.083 11.122 3.490 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.709 10.950 2.861 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.874 12.196 2.760 1.00 0.77 C ATOM 0 H LEU A 69 -6.886 10.002 5.984 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.846 10.469 3.905 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.174 9.012 3.847 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.092 9.543 2.452 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.953 11.439 4.525 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.181 11.904 2.873 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.139 10.213 3.427 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.820 10.610 1.831 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.317 13.133 2.777 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.037 11.889 1.727 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.836 12.337 3.253 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.382 8.053 3.151 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.974 6.740 2.950 1.00 0.70 C ATOM 1066 C LYS A 70 -8.969 5.847 2.235 1.00 0.62 C ATOM 1067 O LYS A 70 -8.286 6.299 1.314 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.262 6.849 2.131 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.279 7.820 2.708 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.573 7.800 1.913 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.353 9.093 2.078 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.462 9.192 1.094 1.00 3.05 N ATOM 0 H LYS A 70 -9.521 8.700 2.375 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.226 6.307 3.918 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.011 7.161 1.117 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.718 5.862 2.057 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.484 7.561 3.747 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.864 8.828 2.707 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -13.350 7.642 0.858 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.187 6.960 2.238 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.757 9.149 3.089 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.681 9.942 1.956 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -15.952 10.102 1.213 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.077 9.130 0.130 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.134 8.414 1.249 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.877 4.593 2.654 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.929 3.658 2.064 1.00 0.57 C ATOM 1088 C ILE A 71 -8.614 2.610 1.191 1.00 0.56 C ATOM 1089 O ILE A 71 -9.600 1.986 1.594 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.099 2.945 3.159 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.186 3.942 3.876 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.274 1.810 2.568 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.106 4.524 2.990 1.00 0.86 C ATOM 0 H ILE A 71 -9.448 4.199 3.402 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.269 4.250 1.431 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.795 2.521 3.883 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.793 4.755 4.275 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.718 3.446 4.726 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.701 1.327 3.359 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.938 1.081 2.104 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.592 2.209 1.817 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.499 5.222 3.567 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.474 3.721 2.611 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -5.566 5.050 2.153 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.086 2.459 -0.017 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.554 1.475 -0.984 1.00 0.54 C ATOM 1107 C ILE A 72 -7.341 0.940 -1.738 1.00 0.50 C ATOM 1108 O ILE A 72 -6.298 1.595 -1.768 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.583 2.047 -1.995 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.348 3.548 -2.253 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.003 1.784 -1.515 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.188 4.480 -1.397 1.00 0.99 C ATOM 0 H ILE A 72 -7.309 3.025 -0.357 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.070 0.687 -0.436 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.443 1.533 -2.946 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -8.295 3.771 -2.082 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.553 3.758 -3.303 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.712 2.192 -2.236 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.161 0.710 -1.418 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.154 2.262 -0.547 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.954 5.515 -1.649 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -11.245 4.291 -1.583 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -9.968 4.304 -0.344 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.445 -0.239 -2.330 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.315 -0.810 -3.048 1.00 0.43 C ATOM 1126 C ALA A 73 -6.748 -1.503 -4.329 1.00 0.43 C ATOM 1127 O ALA A 73 -7.808 -2.126 -4.385 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.568 -1.784 -2.154 1.00 0.50 C ATOM 0 H ALA A 73 -8.288 -0.813 -2.329 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.653 0.010 -3.326 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.724 -2.206 -2.700 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.203 -1.260 -1.271 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.240 -2.586 -1.848 1.00 0.50 H new ATOM 1134 N SER A 74 -5.919 -1.384 -5.358 1.00 0.48 N ATOM 1135 CA SER A 74 -6.192 -2.010 -6.640 1.00 0.53 C ATOM 1136 C SER A 74 -5.690 -3.452 -6.639 1.00 0.46 C ATOM 1137 O SER A 74 -6.347 -4.354 -7.157 1.00 0.55 O ATOM 1138 CB SER A 74 -5.513 -1.220 -7.760 1.00 0.69 C ATOM 1139 OG SER A 74 -5.663 0.178 -7.561 1.00 0.94 O ATOM 0 H SER A 74 -5.047 -0.856 -5.326 1.00 0.48 H new ATOM 0 HA SER A 74 -7.269 -2.013 -6.809 1.00 0.53 H new ATOM 0 HB2 SER A 74 -4.454 -1.474 -7.798 1.00 0.69 H new ATOM 0 HB3 SER A 74 -5.943 -1.502 -8.721 1.00 0.69 H new ATOM 0 HG SER A 74 -4.976 0.495 -6.939 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.522 -3.662 -6.045 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.932 -4.989 -5.976 1.00 0.48 C ATOM 1147 C CYS A 75 -4.655 -5.854 -4.954 1.00 0.45 C ATOM 1148 O CYS A 75 -4.851 -5.442 -3.809 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.450 -4.892 -5.620 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.435 -4.134 -6.906 1.00 1.31 S ATOM 0 H CYS A 75 -3.966 -2.929 -5.605 1.00 0.45 H new ATOM 0 HA CYS A 75 -4.034 -5.455 -6.956 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.344 -4.315 -4.701 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.070 -5.893 -5.414 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.824 -2.909 -7.100 1.00 1.31 H new ATOM 1156 N SER A 76 -5.037 -7.059 -5.373 1.00 0.57 N ATOM 1157 CA SER A 76 -5.738 -7.997 -4.507 1.00 0.64 C ATOM 1158 C SER A 76 -4.915 -8.320 -3.260 1.00 0.61 C ATOM 1159 O SER A 76 -5.471 -8.549 -2.188 1.00 0.61 O ATOM 1160 CB SER A 76 -6.058 -9.273 -5.282 1.00 0.82 C ATOM 1161 OG SER A 76 -6.451 -8.968 -6.609 1.00 1.12 O ATOM 0 H SER A 76 -4.869 -7.408 -6.317 1.00 0.57 H new ATOM 0 HA SER A 76 -6.668 -7.534 -4.178 1.00 0.64 H new ATOM 0 HB2 SER A 76 -5.184 -9.924 -5.297 1.00 0.82 H new ATOM 0 HB3 SER A 76 -6.855 -9.820 -4.778 1.00 0.82 H new ATOM 0 HG SER A 76 -6.650 -9.798 -7.090 1.00 1.12 H new ATOM 1167 N PHE A 77 -3.590 -8.331 -3.406 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.700 -8.605 -2.284 1.00 0.62 C ATOM 1169 C PHE A 77 -2.887 -7.558 -1.186 1.00 0.55 C ATOM 1170 O PHE A 77 -3.254 -7.888 -0.058 1.00 0.58 O ATOM 1171 CB PHE A 77 -1.237 -8.631 -2.743 1.00 0.68 C ATOM 1172 CG PHE A 77 -0.253 -8.648 -1.604 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.021 -9.827 -0.927 1.00 0.83 C ATOM 1174 CD2 PHE A 77 0.411 -7.492 -1.225 1.00 0.77 C ATOM 1175 CE1 PHE A 77 0.939 -9.853 0.104 1.00 0.93 C ATOM 1176 CE2 PHE A 77 1.326 -7.511 -0.191 1.00 0.87 C ATOM 1177 CZ PHE A 77 1.532 -8.667 0.525 1.00 0.95 C ATOM 0 H PHE A 77 -3.112 -8.153 -4.290 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.954 -9.586 -1.882 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -1.075 -9.510 -3.366 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -1.044 -7.758 -3.367 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -0.490 -10.736 -1.210 1.00 0.83 H new ATOM 0 HD2 PHE A 77 0.211 -6.566 -1.744 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.195 -10.788 0.580 1.00 0.93 H new ATOM 0 HE2 PHE A 77 1.880 -6.617 0.056 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.151 -8.654 1.410 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.650 -6.298 -1.537 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.783 -5.194 -0.595 1.00 0.46 C ATOM 1189 C ALA A 78 -4.209 -5.105 -0.065 1.00 0.44 C ATOM 1190 O ALA A 78 -4.422 -4.840 1.116 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.378 -3.883 -1.254 1.00 0.47 C ATOM 0 H ALA A 78 -2.363 -6.016 -2.474 1.00 0.50 H new ATOM 0 HA ALA A 78 -2.117 -5.381 0.247 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.483 -3.068 -0.538 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.341 -3.946 -1.583 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -3.020 -3.695 -2.114 1.00 0.47 H new ATOM 1197 N LYS A 79 -5.180 -5.343 -0.942 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.583 -5.303 -0.555 1.00 0.47 C ATOM 1199 C LYS A 79 -6.865 -6.363 0.505 1.00 0.52 C ATOM 1200 O LYS A 79 -7.429 -6.067 1.556 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.481 -5.525 -1.770 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.945 -5.250 -1.490 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.841 -5.866 -2.548 1.00 0.87 C ATOM 1204 CE LYS A 79 -11.305 -5.571 -2.273 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.672 -5.834 -0.853 1.00 1.27 N ATOM 0 H LYS A 79 -5.019 -5.565 -1.924 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.799 -4.319 -0.139 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -7.146 -4.881 -2.583 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.370 -6.554 -2.112 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -9.210 -5.649 -0.511 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -9.113 -4.174 -1.452 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.568 -5.478 -3.529 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.685 -6.944 -2.577 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.516 -4.529 -2.515 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.927 -6.182 -2.927 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.708 -5.835 -0.756 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.297 -6.760 -0.563 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.268 -5.091 -0.247 1.00 1.27 H new ATOM 1219 N HIS A 80 -6.438 -7.593 0.229 1.00 0.56 N ATOM 1220 CA HIS A 80 -6.627 -8.701 1.160 1.00 0.64 C ATOM 1221 C HIS A 80 -5.867 -8.432 2.453 1.00 0.60 C ATOM 1222 O HIS A 80 -6.279 -8.860 3.528 1.00 0.60 O ATOM 1223 CB HIS A 80 -6.155 -10.018 0.525 1.00 0.77 C ATOM 1224 CG HIS A 80 -6.198 -11.200 1.451 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -7.321 -11.980 1.630 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -5.240 -11.739 2.245 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -7.054 -12.944 2.492 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -5.798 -12.821 2.879 1.00 1.13 N ATOM 0 H HIS A 80 -5.958 -7.847 -0.634 1.00 0.56 H new ATOM 0 HA HIS A 80 -7.689 -8.790 1.390 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -6.775 -10.231 -0.346 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -5.134 -9.889 0.166 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -4.227 -11.383 2.358 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -7.746 -13.704 2.824 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -5.320 -13.431 3.542 1.00 1.13 H new ATOM 1237 N MET A 81 -4.752 -7.729 2.334 1.00 0.58 N ATOM 1238 CA MET A 81 -3.934 -7.385 3.483 1.00 0.59 C ATOM 1239 C MET A 81 -4.690 -6.427 4.395 1.00 0.54 C ATOM 1240 O MET A 81 -4.669 -6.568 5.618 1.00 0.58 O ATOM 1241 CB MET A 81 -2.622 -6.760 3.013 1.00 0.64 C ATOM 1242 CG MET A 81 -1.645 -6.473 4.131 1.00 1.25 C ATOM 1243 SD MET A 81 0.002 -6.091 3.513 1.00 1.51 S ATOM 1244 CE MET A 81 0.880 -5.890 5.052 1.00 1.09 C ATOM 0 H MET A 81 -4.392 -7.384 1.445 1.00 0.58 H new ATOM 0 HA MET A 81 -3.707 -8.289 4.048 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.150 -7.429 2.294 1.00 0.64 H new ATOM 0 HB3 MET A 81 -2.841 -5.830 2.488 1.00 0.64 H new ATOM 0 HG2 MET A 81 -2.011 -5.636 4.725 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.591 -7.336 4.795 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.949 -5.807 4.853 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.533 -4.986 5.553 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.696 -6.753 5.692 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.371 -5.464 3.783 1.00 0.50 N ATOM 1255 CA LEU A 82 -6.160 -4.487 4.522 1.00 0.51 C ATOM 1256 C LEU A 82 -7.368 -5.155 5.162 1.00 0.56 C ATOM 1257 O LEU A 82 -7.828 -4.746 6.226 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.620 -3.362 3.590 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.497 -2.515 2.983 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.991 -1.777 1.750 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.955 -1.529 4.007 1.00 0.49 C ATOM 0 H LEU A 82 -5.392 -5.340 2.771 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.535 -4.063 5.308 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -7.202 -3.800 2.779 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.290 -2.704 4.144 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.689 -3.184 2.686 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.179 -1.181 1.333 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.331 -2.498 1.006 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.818 -1.122 2.025 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.158 -0.937 3.556 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.757 -0.868 4.335 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.561 -2.075 4.864 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.872 -6.187 4.502 1.00 0.62 N ATOM 1274 CA GLU A 83 -9.022 -6.926 4.998 1.00 0.70 C ATOM 1275 C GLU A 83 -8.608 -7.897 6.103 1.00 0.68 C ATOM 1276 O GLU A 83 -9.386 -8.184 7.013 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.695 -7.691 3.860 1.00 0.85 C ATOM 1278 CG GLU A 83 -10.238 -6.796 2.759 1.00 1.15 C ATOM 1279 CD GLU A 83 -11.026 -7.569 1.724 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -12.180 -7.936 2.005 1.00 1.45 O ATOM 1281 OE2 GLU A 83 -10.494 -7.818 0.619 1.00 1.46 O ATOM 0 H GLU A 83 -7.500 -6.532 3.617 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.731 -6.209 5.412 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.977 -8.388 3.428 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -10.512 -8.287 4.268 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.876 -6.029 3.199 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -9.410 -6.281 2.272 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.384 -8.411 6.008 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.865 -9.345 7.002 1.00 0.69 C ATOM 1290 C LYS A 84 -6.528 -8.605 8.289 1.00 0.68 C ATOM 1291 O LYS A 84 -6.906 -9.029 9.380 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.619 -10.070 6.478 1.00 0.76 C ATOM 1293 CG LYS A 84 -5.119 -11.160 7.412 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.711 -11.602 7.052 1.00 1.43 C ATOM 1295 CE LYS A 84 -3.328 -12.888 7.776 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.222 -12.695 9.246 1.00 2.33 N ATOM 0 H LYS A 84 -6.734 -8.196 5.252 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.636 -10.088 7.204 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.845 -10.509 5.506 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.823 -9.342 6.321 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -5.135 -10.796 8.439 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -5.792 -12.016 7.367 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -3.640 -11.754 5.975 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -3.004 -10.814 7.309 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -4.071 -13.657 7.565 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -2.376 -13.251 7.389 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -2.960 -13.595 9.696 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -2.495 -11.981 9.451 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -4.137 -12.374 9.621 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.815 -7.498 8.156 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.444 -6.706 9.310 1.00 0.96 C ATOM 1312 C GLU A 85 -6.521 -5.660 9.566 1.00 0.93 C ATOM 1313 O GLU A 85 -6.485 -4.558 9.013 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.078 -6.046 9.101 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.459 -5.495 10.378 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.072 -6.046 10.639 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.961 -7.168 11.168 1.00 1.60 O ATOM 1318 OE2 GLU A 85 -1.079 -5.362 10.312 1.00 1.49 O ATOM 0 H GLU A 85 -5.484 -7.132 7.263 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.363 -7.356 10.181 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.396 -6.775 8.663 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.183 -5.235 8.380 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -3.408 -4.408 10.313 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.105 -5.733 11.223 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.480 -6.019 10.415 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.603 -5.141 10.752 1.00 1.10 C ATOM 1327 C ASP A 86 -8.140 -3.839 11.392 1.00 1.02 C ATOM 1328 O ASP A 86 -8.929 -2.914 11.567 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.586 -5.853 11.686 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.544 -6.762 10.945 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.517 -6.254 10.346 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -10.335 -7.995 10.963 1.00 2.66 O ATOM 0 H ASP A 86 -7.503 -6.922 10.888 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.105 -4.896 9.816 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.027 -6.439 12.416 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -10.155 -5.109 12.243 1.00 1.36 H new ATOM 1337 N SER A 87 -6.863 -3.762 11.731 1.00 1.05 N ATOM 1338 CA SER A 87 -6.301 -2.569 12.343 1.00 1.08 C ATOM 1339 C SER A 87 -6.372 -1.376 11.385 1.00 0.93 C ATOM 1340 O SER A 87 -6.353 -0.225 11.812 1.00 0.97 O ATOM 1341 CB SER A 87 -4.855 -2.839 12.757 1.00 1.27 C ATOM 1342 OG SER A 87 -4.738 -4.124 13.349 1.00 1.46 O ATOM 0 H SER A 87 -6.192 -4.518 11.591 1.00 1.05 H new ATOM 0 HA SER A 87 -6.887 -2.320 13.228 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.203 -2.773 11.886 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.524 -2.076 13.462 1.00 1.27 H new ATOM 0 HG SER A 87 -3.806 -4.282 13.607 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.469 -1.656 10.087 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.542 -0.597 9.086 1.00 0.88 C ATOM 1350 C TYR A 88 -7.986 -0.371 8.643 1.00 0.89 C ATOM 1351 O TYR A 88 -8.260 0.496 7.815 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.691 -0.939 7.857 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.331 -1.534 8.162 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.561 -1.024 9.197 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.825 -2.602 7.431 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.325 -1.556 9.497 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -2.587 -3.142 7.727 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.833 -2.635 8.680 1.00 0.93 C ATOM 1359 OH TYR A 88 -0.607 -3.141 9.063 1.00 1.00 O ATOM 0 H TYR A 88 -6.499 -2.602 9.706 1.00 0.91 H new ATOM 0 HA TYR A 88 -6.155 0.312 9.546 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -6.246 -1.641 7.234 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.550 -0.033 7.268 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.937 -0.195 9.778 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -4.407 -3.016 6.621 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.742 -1.174 10.322 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -2.232 -3.994 7.167 1.00 0.97 H new ATOM 0 HH TYR A 88 -0.673 -4.113 9.169 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.906 -1.133 9.224 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.325 -1.043 8.878 1.00 1.18 C ATOM 1371 C GLN A 89 -10.913 0.321 9.236 1.00 1.16 C ATOM 1372 O GLN A 89 -11.991 0.684 8.764 1.00 1.26 O ATOM 1373 CB GLN A 89 -11.112 -2.143 9.589 1.00 1.43 C ATOM 1374 CG GLN A 89 -12.383 -2.556 8.863 1.00 1.61 C ATOM 1375 CD GLN A 89 -13.494 -2.932 9.823 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -14.347 -2.109 10.160 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -13.486 -4.175 10.279 1.00 2.33 N ATOM 0 H GLN A 89 -8.695 -1.826 9.942 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.405 -1.171 7.799 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.471 -3.017 9.706 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.372 -1.801 10.591 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -12.717 -1.738 8.225 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -12.168 -3.402 8.210 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.761 -4.825 9.975 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -14.204 -4.482 10.935 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.207 1.073 10.067 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.669 2.394 10.470 1.00 1.17 C ATOM 1388 C ASP A 90 -10.643 3.353 9.289 1.00 1.09 C ATOM 1389 O ASP A 90 -11.531 4.194 9.140 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.808 2.950 11.600 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.147 2.351 12.951 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.342 2.344 13.331 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -9.217 1.892 13.648 1.00 2.03 O ATOM 0 H ASP A 90 -9.315 0.793 10.475 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.694 2.294 10.826 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -8.758 2.760 11.377 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.933 4.032 11.646 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.629 3.220 8.444 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.493 4.087 7.279 1.00 0.79 C ATOM 1400 C VAL A 91 -9.892 3.359 5.997 1.00 0.73 C ATOM 1401 O VAL A 91 -10.311 3.982 5.022 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.057 4.639 7.141 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.830 5.774 8.127 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.027 3.540 7.353 1.00 0.78 C ATOM 0 H VAL A 91 -8.891 2.523 8.542 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.170 4.927 7.432 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.938 5.024 6.128 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.814 6.153 8.018 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.540 6.577 7.927 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.973 5.407 9.143 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.025 3.956 7.250 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.145 3.119 8.351 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.173 2.756 6.609 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.756 2.041 6.002 1.00 0.72 N ATOM 1415 CA TYR A 92 -10.123 1.231 4.851 1.00 0.71 C ATOM 1416 C TYR A 92 -11.642 1.100 4.778 1.00 0.80 C ATOM 1417 O TYR A 92 -12.320 1.081 5.809 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.466 -0.155 4.932 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.932 -1.119 3.860 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.548 -0.957 2.536 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.750 -2.197 4.176 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.963 -1.840 1.558 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -11.167 -3.087 3.205 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.806 -2.876 1.888 1.00 1.02 C ATOM 1425 OH TYR A 92 -11.176 -3.791 0.925 1.00 1.14 O ATOM 0 H TYR A 92 -9.393 1.509 6.793 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.765 1.721 3.946 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.385 -0.039 4.857 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.673 -0.588 5.911 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.914 -0.126 2.266 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -11.065 -2.342 5.199 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.627 -1.718 0.539 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.771 -3.941 3.473 1.00 1.02 H new ATOM 0 HH TYR A 92 -12.042 -4.184 1.162 1.00 1.14 H new ATOM 1435 N LEU A 93 -12.175 1.022 3.567 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.614 0.894 3.374 1.00 0.84 C ATOM 1437 C LEU A 93 -14.075 -0.534 3.662 1.00 1.05 C ATOM 1438 O LEU A 93 -14.505 -1.258 2.765 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.005 1.300 1.950 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.585 2.713 1.530 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -14.092 3.023 0.131 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.097 3.748 2.521 1.00 1.42 C ATOM 0 H LEU A 93 -11.633 1.045 2.703 1.00 0.74 H new ATOM 0 HA LEU A 93 -14.110 1.564 4.076 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -13.565 0.586 1.253 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -15.087 1.217 1.851 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.496 2.757 1.524 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.785 4.030 -0.152 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.675 2.305 -0.575 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.180 2.957 0.115 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.786 4.743 2.201 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.185 3.704 2.563 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.687 3.540 3.509 1.00 1.42 H new