USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 65 ASN : amide:sc= -0.0796 K(o=-3.3,f=-3.9) USER MOD Set 1.2: A 88 MET CE :methyl -138:sc= -3.18 (180deg=-6.43!) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.383 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -174:sc= -2.09 (180deg=-2.34!) USER MOD Single : A 29 MET CE :methyl -178:sc= -0.982 (180deg=-0.999) USER MOD Single : A 30 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.16) USER MOD Single : A 31 THR OG1 : rot 43:sc= 0.911 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -11:sc= 0.14 USER MOD Single : A 41 GLN : amide:sc= -6.21! C(o=-6.2!,f=-7.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 47 SER OG : rot -101:sc= -0.0341 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 38:sc= 0.462 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 174:sc= 0.00337 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc=-0.00318 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.220 3.275 -13.897 1.00 0.00 N ATOM 60 CA GLY A 7 8.218 3.106 -12.858 1.00 0.00 C ATOM 61 C GLY A 7 7.130 2.126 -13.301 1.00 0.00 C ATOM 62 O GLY A 7 6.252 2.480 -14.087 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.692 2.741 -11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.769 4.070 -12.620 1.00 0.00 H new ATOM 66 N TYR A 8 7.223 0.912 -12.777 1.00 0.00 N ATOM 67 CA TYR A 8 6.257 -0.122 -13.108 1.00 0.00 C ATOM 68 C TYR A 8 5.276 -0.346 -11.955 1.00 0.00 C ATOM 69 O TYR A 8 5.638 -0.195 -10.789 1.00 0.00 O ATOM 70 CB TYR A 8 7.068 -1.401 -13.328 1.00 0.00 C ATOM 71 CG TYR A 8 7.878 -1.842 -12.107 1.00 0.00 C ATOM 72 CD1 TYR A 8 9.157 -1.360 -11.917 1.00 0.00 C ATOM 73 CD2 TYR A 8 7.329 -2.721 -11.196 1.00 0.00 C ATOM 74 CE1 TYR A 8 9.919 -1.775 -10.767 1.00 0.00 C ATOM 75 CE2 TYR A 8 8.091 -3.136 -10.047 1.00 0.00 C ATOM 76 CZ TYR A 8 9.348 -2.643 -9.889 1.00 0.00 C ATOM 77 OH TYR A 8 10.068 -3.035 -8.804 1.00 0.00 O ATOM 0 H TYR A 8 7.952 0.622 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 8 5.677 0.162 -13.986 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.389 -2.205 -13.611 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.748 -1.248 -14.166 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.587 -0.672 -12.630 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.328 -3.098 -11.345 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.921 -1.405 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.673 -3.824 -9.327 1.00 0.00 H new ATOM 0 HH TYR A 8 10.684 -2.318 -8.544 1.00 0.00 H new ATOM 87 N VAL A 9 4.054 -0.702 -12.321 1.00 0.00 N ATOM 88 CA VAL A 9 3.018 -0.948 -11.332 1.00 0.00 C ATOM 89 C VAL A 9 2.995 -2.438 -10.984 1.00 0.00 C ATOM 90 O VAL A 9 3.477 -3.266 -11.755 1.00 0.00 O ATOM 91 CB VAL A 9 1.672 -0.433 -11.845 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.613 -0.472 -10.741 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.808 0.976 -12.424 1.00 0.00 C ATOM 0 H VAL A 9 3.758 -0.826 -13.289 1.00 0.00 H new ATOM 0 HA VAL A 9 3.230 -0.403 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 9 1.345 -1.094 -12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.334 -0.101 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.486 -1.498 -10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.932 0.155 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.837 1.318 -12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.169 1.654 -11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.515 0.962 -13.253 1.00 0.00 H new ATOM 103 N PHE A 10 2.430 -2.733 -9.823 1.00 0.00 N ATOM 104 CA PHE A 10 2.338 -4.108 -9.363 1.00 0.00 C ATOM 105 C PHE A 10 1.122 -4.302 -8.454 1.00 0.00 C ATOM 106 O PHE A 10 0.822 -3.448 -7.622 1.00 0.00 O ATOM 107 CB PHE A 10 3.609 -4.399 -8.563 1.00 0.00 C ATOM 108 CG PHE A 10 3.673 -3.680 -7.214 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.176 -2.418 -7.139 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.228 -4.303 -6.090 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.236 -1.751 -5.887 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.288 -3.636 -4.838 1.00 0.00 C ATOM 113 CZ PHE A 10 3.791 -2.374 -4.763 1.00 0.00 C ATOM 0 H PHE A 10 2.031 -2.043 -9.187 1.00 0.00 H new ATOM 0 HA PHE A 10 2.232 -4.779 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.682 -5.473 -8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.475 -4.110 -9.159 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.530 -1.924 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.829 -5.305 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.635 -0.749 -5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.934 -4.130 -3.945 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.837 -1.867 -3.811 1.00 0.00 H new ATOM 123 N THR A 11 0.455 -5.431 -8.645 1.00 0.00 N ATOM 124 CA THR A 11 -0.721 -5.748 -7.853 1.00 0.00 C ATOM 125 C THR A 11 -0.314 -6.424 -6.542 1.00 0.00 C ATOM 126 O THR A 11 0.768 -7.000 -6.446 1.00 0.00 O ATOM 127 CB THR A 11 -1.654 -6.603 -8.713 1.00 0.00 C ATOM 128 OG1 THR A 11 -2.007 -5.748 -9.797 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.986 -6.895 -8.019 1.00 0.00 C ATOM 0 H THR A 11 0.707 -6.137 -9.337 1.00 0.00 H new ATOM 0 HA THR A 11 -1.259 -4.845 -7.564 1.00 0.00 H new ATOM 0 HB THR A 11 -1.160 -7.543 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.610 -6.224 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.611 -7.505 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.801 -7.432 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.496 -5.957 -7.801 1.00 0.00 H new ATOM 137 N VAL A 12 -1.204 -6.330 -5.564 1.00 0.00 N ATOM 138 CA VAL A 12 -0.951 -6.925 -4.263 1.00 0.00 C ATOM 139 C VAL A 12 -2.220 -7.625 -3.772 1.00 0.00 C ATOM 140 O VAL A 12 -3.216 -6.971 -3.466 1.00 0.00 O ATOM 141 CB VAL A 12 -0.442 -5.859 -3.290 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.565 -6.454 -2.304 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.162 -4.673 -4.044 1.00 0.00 C ATOM 0 H VAL A 12 -2.101 -5.851 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.169 -7.681 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.294 -5.492 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.911 -5.676 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.088 -7.250 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.415 -6.861 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.516 -3.930 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.997 -5.017 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.597 -4.226 -4.687 1.00 0.00 H new ATOM 153 N GLU A 13 -2.143 -8.947 -3.713 1.00 0.00 N ATOM 154 CA GLU A 13 -3.273 -9.743 -3.265 1.00 0.00 C ATOM 155 C GLU A 13 -3.089 -10.148 -1.801 1.00 0.00 C ATOM 156 O GLU A 13 -2.313 -11.052 -1.496 1.00 0.00 O ATOM 157 CB GLU A 13 -3.465 -10.973 -4.154 1.00 0.00 C ATOM 158 CG GLU A 13 -4.439 -10.677 -5.296 1.00 0.00 C ATOM 159 CD GLU A 13 -4.973 -11.972 -5.911 1.00 0.00 C ATOM 160 OE1 GLU A 13 -5.918 -12.535 -5.317 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.424 -12.371 -6.961 1.00 0.00 O ATOM 0 H GLU A 13 -1.316 -9.486 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.174 -9.135 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.504 -11.284 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.841 -11.803 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.270 -10.077 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.938 -10.086 -6.062 1.00 0.00 H new ATOM 168 N LEU A 14 -3.817 -9.459 -0.934 1.00 0.00 N ATOM 169 CA LEU A 14 -3.744 -9.736 0.491 1.00 0.00 C ATOM 170 C LEU A 14 -5.032 -10.429 0.938 1.00 0.00 C ATOM 171 O LEU A 14 -6.083 -10.249 0.325 1.00 0.00 O ATOM 172 CB LEU A 14 -3.431 -8.457 1.270 1.00 0.00 C ATOM 173 CG LEU A 14 -2.030 -7.876 1.070 1.00 0.00 C ATOM 174 CD1 LEU A 14 -0.965 -8.971 1.153 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.945 -7.090 -0.240 1.00 0.00 C ATOM 0 H LEU A 14 -4.460 -8.710 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.923 -10.420 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.161 -7.697 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.571 -8.659 2.332 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.832 -7.174 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.021 -8.531 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.009 -9.448 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.148 -9.716 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.939 -6.687 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.172 -7.751 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.664 -6.271 -0.220 1.00 0.00 H new ATOM 187 N GLU A 15 -4.909 -11.208 2.003 1.00 0.00 N ATOM 188 CA GLU A 15 -6.051 -11.929 2.539 1.00 0.00 C ATOM 189 C GLU A 15 -6.533 -11.272 3.834 1.00 0.00 C ATOM 190 O GLU A 15 -5.819 -11.265 4.835 1.00 0.00 O ATOM 191 CB GLU A 15 -5.711 -13.403 2.767 1.00 0.00 C ATOM 192 CG GLU A 15 -5.964 -14.226 1.502 1.00 0.00 C ATOM 193 CD GLU A 15 -4.967 -15.382 1.391 1.00 0.00 C ATOM 194 OE1 GLU A 15 -3.832 -15.112 0.943 1.00 0.00 O ATOM 195 OE2 GLU A 15 -5.363 -16.510 1.757 1.00 0.00 O ATOM 0 H GLU A 15 -4.036 -11.356 2.509 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.859 -11.885 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.666 -13.497 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.312 -13.796 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.981 -14.618 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.882 -13.585 0.624 1.00 0.00 H new ATOM 202 N ARG A 16 -7.743 -10.734 3.771 1.00 0.00 N ATOM 203 CA ARG A 16 -8.330 -10.076 4.926 1.00 0.00 C ATOM 204 C ARG A 16 -8.058 -10.887 6.195 1.00 0.00 C ATOM 205 O ARG A 16 -8.704 -11.905 6.435 1.00 0.00 O ATOM 206 CB ARG A 16 -9.840 -9.903 4.753 1.00 0.00 C ATOM 207 CG ARG A 16 -10.280 -8.494 5.156 1.00 0.00 C ATOM 208 CD ARG A 16 -11.718 -8.221 4.710 1.00 0.00 C ATOM 209 NE ARG A 16 -11.912 -6.771 4.486 1.00 0.00 N ATOM 210 CZ ARG A 16 -11.905 -5.852 5.462 1.00 0.00 C ATOM 211 NH1 ARG A 16 -11.714 -6.228 6.734 1.00 0.00 N ATOM 212 NH2 ARG A 16 -12.089 -4.558 5.166 1.00 0.00 N ATOM 0 H ARG A 16 -8.332 -10.741 2.938 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.871 -9.091 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.115 -10.091 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.366 -10.640 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.203 -8.380 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.611 -7.758 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.934 -8.771 3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.416 -8.577 5.468 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.060 -6.451 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.574 -7.213 6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.709 -5.529 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.234 -4.272 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.084 -3.859 5.909 1.00 0.00 H new ATOM 226 N GLY A 17 -7.100 -10.404 6.973 1.00 0.00 N ATOM 227 CA GLY A 17 -6.735 -11.072 8.211 1.00 0.00 C ATOM 228 C GLY A 17 -7.777 -10.814 9.301 1.00 0.00 C ATOM 229 O GLY A 17 -8.843 -10.265 9.028 1.00 0.00 O ATOM 0 H GLY A 17 -6.566 -9.559 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.644 -12.144 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.759 -10.719 8.545 1.00 0.00 H new ATOM 233 N PRO A 18 -7.423 -11.233 10.546 1.00 0.00 N ATOM 234 CA PRO A 18 -8.315 -11.053 11.678 1.00 0.00 C ATOM 235 C PRO A 18 -8.331 -9.594 12.137 1.00 0.00 C ATOM 236 O PRO A 18 -9.172 -9.203 12.945 1.00 0.00 O ATOM 237 CB PRO A 18 -7.796 -12.005 12.743 1.00 0.00 C ATOM 238 CG PRO A 18 -6.367 -12.338 12.344 1.00 0.00 C ATOM 239 CD PRO A 18 -6.168 -11.887 10.906 1.00 0.00 C ATOM 0 HA PRO A 18 -9.354 -11.277 11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.828 -11.543 13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.408 -12.906 12.793 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.659 -11.835 13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.184 -13.408 12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.325 -11.202 10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.960 -12.733 10.251 1.00 0.00 H new ATOM 247 N SER A 19 -7.392 -8.828 11.602 1.00 0.00 N ATOM 248 CA SER A 19 -7.288 -7.420 11.946 1.00 0.00 C ATOM 249 C SER A 19 -7.783 -6.559 10.782 1.00 0.00 C ATOM 250 O SER A 19 -7.899 -5.341 10.912 1.00 0.00 O ATOM 251 CB SER A 19 -5.849 -7.047 12.308 1.00 0.00 C ATOM 252 OG SER A 19 -4.969 -8.164 12.220 1.00 0.00 O ATOM 0 H SER A 19 -6.696 -9.156 10.932 1.00 0.00 H new ATOM 0 HA SER A 19 -7.914 -7.234 12.819 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.501 -6.258 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.823 -6.644 13.320 1.00 0.00 H new ATOM 0 HG SER A 19 -4.060 -7.884 12.457 1.00 0.00 H new ATOM 258 N GLY A 20 -8.061 -7.225 9.671 1.00 0.00 N ATOM 259 CA GLY A 20 -8.540 -6.536 8.485 1.00 0.00 C ATOM 260 C GLY A 20 -7.375 -5.974 7.668 1.00 0.00 C ATOM 261 O GLY A 20 -7.401 -4.815 7.258 1.00 0.00 O ATOM 0 H GLY A 20 -7.964 -8.235 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.121 -7.224 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.209 -5.726 8.776 1.00 0.00 H new ATOM 265 N LEU A 21 -6.379 -6.823 7.457 1.00 0.00 N ATOM 266 CA LEU A 21 -5.207 -6.426 6.696 1.00 0.00 C ATOM 267 C LEU A 21 -4.268 -5.622 7.598 1.00 0.00 C ATOM 268 O LEU A 21 -4.413 -5.634 8.819 1.00 0.00 O ATOM 269 CB LEU A 21 -5.619 -5.686 5.422 1.00 0.00 C ATOM 270 CG LEU A 21 -6.828 -6.256 4.678 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.822 -5.150 4.319 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.389 -7.053 3.447 1.00 0.00 C ATOM 0 H LEU A 21 -6.360 -7.783 7.800 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.655 -7.304 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.832 -4.649 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.769 -5.676 4.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.343 -6.949 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.672 -5.582 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.170 -4.664 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.333 -4.415 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.268 -7.447 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.837 -6.401 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.749 -7.879 3.757 1.00 0.00 H new ATOM 284 N GLY A 22 -3.325 -4.943 6.960 1.00 0.00 N ATOM 285 CA GLY A 22 -2.363 -4.135 7.689 1.00 0.00 C ATOM 286 C GLY A 22 -1.726 -3.085 6.777 1.00 0.00 C ATOM 287 O GLY A 22 -0.529 -3.142 6.499 1.00 0.00 O ATOM 0 H GLY A 22 -3.207 -4.936 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.857 -3.643 8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.588 -4.776 8.108 1.00 0.00 H new ATOM 291 N MET A 23 -2.554 -2.150 6.336 1.00 0.00 N ATOM 292 CA MET A 23 -2.087 -1.088 5.460 1.00 0.00 C ATOM 293 C MET A 23 -2.736 0.249 5.825 1.00 0.00 C ATOM 294 O MET A 23 -3.915 0.466 5.550 1.00 0.00 O ATOM 295 CB MET A 23 -2.421 -1.439 4.009 1.00 0.00 C ATOM 296 CG MET A 23 -1.147 -1.672 3.194 1.00 0.00 C ATOM 297 SD MET A 23 -1.532 -1.686 1.451 1.00 0.00 S ATOM 298 CE MET A 23 -3.194 -2.335 1.505 1.00 0.00 C ATOM 0 H MET A 23 -3.546 -2.105 6.569 1.00 0.00 H new ATOM 0 HA MET A 23 -1.008 -0.991 5.580 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.043 -2.334 3.981 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.002 -0.633 3.560 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.420 -0.889 3.408 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.689 -2.619 3.481 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.550 -2.510 0.490 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.200 -3.274 2.058 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.849 -1.618 2.000 1.00 0.00 H new ATOM 308 N GLY A 24 -1.937 1.110 6.439 1.00 0.00 N ATOM 309 CA GLY A 24 -2.419 2.419 6.844 1.00 0.00 C ATOM 310 C GLY A 24 -2.260 3.436 5.712 1.00 0.00 C ATOM 311 O GLY A 24 -1.238 4.114 5.620 1.00 0.00 O ATOM 0 H GLY A 24 -0.960 0.926 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.468 2.351 7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.869 2.758 7.722 1.00 0.00 H new ATOM 315 N LEU A 25 -3.287 3.510 4.878 1.00 0.00 N ATOM 316 CA LEU A 25 -3.275 4.433 3.755 1.00 0.00 C ATOM 317 C LEU A 25 -3.620 5.838 4.252 1.00 0.00 C ATOM 318 O LEU A 25 -4.448 5.997 5.148 1.00 0.00 O ATOM 319 CB LEU A 25 -4.194 3.932 2.640 1.00 0.00 C ATOM 320 CG LEU A 25 -4.002 2.473 2.217 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.547 2.037 2.397 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.972 1.555 2.963 1.00 0.00 C ATOM 0 H LEU A 25 -4.133 2.946 4.957 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.279 4.486 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.227 4.063 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.049 4.565 1.765 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.233 2.391 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.438 0.997 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.900 2.666 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.264 2.137 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.815 0.524 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.796 1.634 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.997 1.851 2.741 1.00 0.00 H new ATOM 334 N ILE A 26 -2.969 6.821 3.648 1.00 0.00 N ATOM 335 CA ILE A 26 -3.198 8.208 4.018 1.00 0.00 C ATOM 336 C ILE A 26 -3.344 9.052 2.750 1.00 0.00 C ATOM 337 O ILE A 26 -2.793 8.710 1.705 1.00 0.00 O ATOM 338 CB ILE A 26 -2.097 8.700 4.960 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.432 10.083 5.521 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.732 8.677 4.268 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.035 10.189 6.994 1.00 0.00 C ATOM 0 H ILE A 26 -2.283 6.685 2.905 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.130 8.305 4.575 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.041 8.015 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.912 10.849 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.500 10.274 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.032 9.031 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.498 7.658 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.757 9.325 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.284 11.182 7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.575 9.438 7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.963 10.022 7.095 1.00 0.00 H new ATOM 353 N ASP A 27 -4.090 10.139 2.884 1.00 0.00 N ATOM 354 CA ASP A 27 -4.317 11.034 1.763 1.00 0.00 C ATOM 355 C ASP A 27 -3.032 11.812 1.470 1.00 0.00 C ATOM 356 O ASP A 27 -2.522 12.522 2.335 1.00 0.00 O ATOM 357 CB ASP A 27 -5.420 12.045 2.079 1.00 0.00 C ATOM 358 CG ASP A 27 -5.550 13.195 1.078 1.00 0.00 C ATOM 359 OD1 ASP A 27 -4.952 13.069 -0.012 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.245 14.174 1.425 1.00 0.00 O ATOM 0 H ASP A 27 -4.545 10.420 3.753 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.616 10.431 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.372 11.517 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.236 12.464 3.068 1.00 0.00 H new ATOM 365 N GLY A 28 -2.547 11.652 0.247 1.00 0.00 N ATOM 366 CA GLY A 28 -1.332 12.331 -0.170 1.00 0.00 C ATOM 367 C GLY A 28 -1.314 13.778 0.328 1.00 0.00 C ATOM 368 O GLY A 28 -0.303 14.245 0.851 1.00 0.00 O ATOM 0 H GLY A 28 -2.973 11.062 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.463 11.799 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.258 12.316 -1.257 1.00 0.00 H new ATOM 372 N MET A 29 -2.443 14.447 0.147 1.00 0.00 N ATOM 373 CA MET A 29 -2.569 15.830 0.572 1.00 0.00 C ATOM 374 C MET A 29 -2.196 15.988 2.047 1.00 0.00 C ATOM 375 O MET A 29 -1.535 16.954 2.425 1.00 0.00 O ATOM 376 CB MET A 29 -4.009 16.302 0.356 1.00 0.00 C ATOM 377 CG MET A 29 -4.352 16.351 -1.134 1.00 0.00 C ATOM 378 SD MET A 29 -4.170 18.017 -1.748 1.00 0.00 S ATOM 379 CE MET A 29 -3.626 17.677 -3.414 1.00 0.00 C ATOM 0 H MET A 29 -3.279 14.057 -0.288 1.00 0.00 H new ATOM 0 HA MET A 29 -1.885 16.436 -0.023 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.697 15.630 0.869 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.141 17.290 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.699 15.677 -1.688 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.374 16.006 -1.292 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.430 18.616 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.713 17.082 -3.384 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.402 17.125 -3.945 1.00 0.00 H new ATOM 389 N HIS A 30 -2.637 15.023 2.842 1.00 0.00 N ATOM 390 CA HIS A 30 -2.358 15.042 4.268 1.00 0.00 C ATOM 391 C HIS A 30 -0.845 15.015 4.495 1.00 0.00 C ATOM 392 O HIS A 30 -0.329 15.727 5.355 1.00 0.00 O ATOM 393 CB HIS A 30 -3.085 13.900 4.979 1.00 0.00 C ATOM 394 CG HIS A 30 -4.120 14.359 5.978 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.500 13.595 7.069 1.00 0.00 N ATOM 396 CD2 HIS A 30 -4.849 15.509 6.041 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.417 14.266 7.750 1.00 0.00 C ATOM 398 NE2 HIS A 30 -5.633 15.452 7.111 1.00 0.00 N ATOM 0 H HIS A 30 -3.185 14.223 2.525 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.739 15.965 4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.569 13.271 4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.351 13.279 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.798 16.328 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.908 13.933 8.653 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.289 16.175 7.407 1.00 0.00 H new ATOM 406 N THR A 31 -0.176 14.184 3.709 1.00 0.00 N ATOM 407 CA THR A 31 1.268 14.054 3.813 1.00 0.00 C ATOM 408 C THR A 31 1.961 15.207 3.084 1.00 0.00 C ATOM 409 O THR A 31 1.398 15.788 2.157 1.00 0.00 O ATOM 410 CB THR A 31 1.658 12.675 3.279 1.00 0.00 C ATOM 411 OG1 THR A 31 0.792 12.476 2.165 1.00 0.00 O ATOM 412 CG2 THR A 31 1.289 11.547 4.245 1.00 0.00 C ATOM 0 H THR A 31 -0.607 13.594 2.997 1.00 0.00 H new ATOM 0 HA THR A 31 1.598 14.122 4.850 1.00 0.00 H new ATOM 0 HB THR A 31 2.731 12.651 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.734 13.304 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.588 10.590 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.804 11.697 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.212 11.549 4.413 1.00 0.00 H new ATOM 420 N HIS A 32 3.173 15.503 3.530 1.00 0.00 N ATOM 421 CA HIS A 32 3.949 16.575 2.931 1.00 0.00 C ATOM 422 C HIS A 32 3.821 16.513 1.408 1.00 0.00 C ATOM 423 O HIS A 32 3.930 17.534 0.730 1.00 0.00 O ATOM 424 CB HIS A 32 5.403 16.524 3.406 1.00 0.00 C ATOM 425 CG HIS A 32 5.718 17.488 4.524 1.00 0.00 C ATOM 426 ND1 HIS A 32 5.192 17.357 5.798 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.510 18.599 4.547 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.653 18.350 6.545 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.469 19.118 5.768 1.00 0.00 N ATOM 0 H HIS A 32 3.636 15.019 4.299 1.00 0.00 H new ATOM 0 HA HIS A 32 3.555 17.538 3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.630 15.511 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.058 16.737 2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.074 18.990 3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.423 18.521 7.586 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.966 19.954 6.075 1.00 0.00 H new ATOM 437 N LEU A 33 3.591 15.305 0.914 1.00 0.00 N ATOM 438 CA LEU A 33 3.446 15.097 -0.517 1.00 0.00 C ATOM 439 C LEU A 33 2.641 16.251 -1.117 1.00 0.00 C ATOM 440 O LEU A 33 3.055 16.852 -2.108 1.00 0.00 O ATOM 441 CB LEU A 33 2.847 13.718 -0.800 1.00 0.00 C ATOM 442 CG LEU A 33 3.379 12.997 -2.041 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.721 12.323 -1.751 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.346 12.008 -2.584 1.00 0.00 C ATOM 0 H LEU A 33 3.502 14.461 1.479 1.00 0.00 H new ATOM 0 HA LEU A 33 4.422 15.102 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.022 13.083 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.767 13.827 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 33 3.554 13.740 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.076 11.818 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.448 13.076 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.596 11.594 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.748 11.509 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.116 11.266 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.436 12.544 -2.854 1.00 0.00 H new ATOM 456 N GLY A 34 1.506 16.527 -0.493 1.00 0.00 N ATOM 457 CA GLY A 34 0.639 17.599 -0.953 1.00 0.00 C ATOM 458 C GLY A 34 -0.009 17.243 -2.292 1.00 0.00 C ATOM 459 O GLY A 34 -0.617 18.095 -2.938 1.00 0.00 O ATOM 0 H GLY A 34 1.166 16.027 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.135 17.790 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.215 18.518 -1.057 1.00 0.00 H new ATOM 463 N ALA A 35 0.143 15.982 -2.670 1.00 0.00 N ATOM 464 CA ALA A 35 -0.420 15.503 -3.921 1.00 0.00 C ATOM 465 C ALA A 35 -1.679 14.685 -3.628 1.00 0.00 C ATOM 466 O ALA A 35 -1.827 14.134 -2.538 1.00 0.00 O ATOM 467 CB ALA A 35 0.635 14.696 -4.681 1.00 0.00 C ATOM 0 H ALA A 35 0.648 15.278 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.710 16.340 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.212 14.337 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.497 15.330 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.949 13.846 -4.075 1.00 0.00 H new ATOM 473 N PRO A 36 -2.579 14.629 -4.647 1.00 0.00 N ATOM 474 CA PRO A 36 -3.821 13.888 -4.509 1.00 0.00 C ATOM 475 C PRO A 36 -3.573 12.381 -4.601 1.00 0.00 C ATOM 476 O PRO A 36 -2.622 11.943 -5.246 1.00 0.00 O ATOM 477 CB PRO A 36 -4.716 14.411 -5.620 1.00 0.00 C ATOM 478 CG PRO A 36 -3.790 15.084 -6.620 1.00 0.00 C ATOM 479 CD PRO A 36 -2.438 15.269 -5.952 1.00 0.00 C ATOM 0 HA PRO A 36 -4.291 14.031 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.272 13.599 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.450 15.117 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.692 14.475 -7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.197 16.046 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.641 14.807 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.188 16.325 -5.850 1.00 0.00 H new ATOM 487 N GLY A 37 -4.444 11.629 -3.945 1.00 0.00 N ATOM 488 CA GLY A 37 -4.332 10.180 -3.944 1.00 0.00 C ATOM 489 C GLY A 37 -3.945 9.661 -2.558 1.00 0.00 C ATOM 490 O GLY A 37 -3.499 10.428 -1.706 1.00 0.00 O ATOM 0 H GLY A 37 -5.231 11.996 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.280 9.738 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.585 9.869 -4.674 1.00 0.00 H new ATOM 494 N LEU A 38 -4.129 8.362 -2.375 1.00 0.00 N ATOM 495 CA LEU A 38 -3.805 7.731 -1.107 1.00 0.00 C ATOM 496 C LEU A 38 -2.455 7.021 -1.226 1.00 0.00 C ATOM 497 O LEU A 38 -2.040 6.649 -2.323 1.00 0.00 O ATOM 498 CB LEU A 38 -4.944 6.815 -0.657 1.00 0.00 C ATOM 499 CG LEU A 38 -6.242 7.512 -0.242 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.456 6.626 -0.526 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.183 7.952 1.222 1.00 0.00 C ATOM 0 H LEU A 38 -4.499 7.729 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.703 8.482 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.170 6.124 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.592 6.216 0.183 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.354 8.413 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.365 7.145 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.504 6.405 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.366 5.695 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.117 8.445 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.036 7.079 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.354 8.646 1.360 1.00 0.00 H new ATOM 513 N TYR A 39 -1.807 6.854 -0.082 1.00 0.00 N ATOM 514 CA TYR A 39 -0.513 6.194 -0.045 1.00 0.00 C ATOM 515 C TYR A 39 -0.316 5.447 1.276 1.00 0.00 C ATOM 516 O TYR A 39 -0.868 5.839 2.303 1.00 0.00 O ATOM 517 CB TYR A 39 0.531 7.308 -0.148 1.00 0.00 C ATOM 518 CG TYR A 39 0.422 8.147 -1.423 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.621 9.036 -1.577 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.368 8.013 -2.419 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.723 9.826 -2.777 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.266 8.803 -3.619 1.00 0.00 C ATOM 523 CZ TYR A 39 0.225 9.670 -3.739 1.00 0.00 C ATOM 524 OH TYR A 39 0.129 10.415 -4.872 1.00 0.00 O ATOM 0 H TYR A 39 -2.154 7.164 0.826 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.430 5.467 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.433 7.965 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.526 6.865 -0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.361 9.140 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.184 7.316 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.534 10.526 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.000 8.709 -4.406 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.743 10.861 -4.897 1.00 0.00 H new ATOM 534 N ILE A 40 0.472 4.385 1.206 1.00 0.00 N ATOM 535 CA ILE A 40 0.749 3.580 2.384 1.00 0.00 C ATOM 536 C ILE A 40 1.556 4.409 3.385 1.00 0.00 C ATOM 537 O ILE A 40 2.675 4.828 3.090 1.00 0.00 O ATOM 538 CB ILE A 40 1.424 2.265 1.988 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.547 1.468 1.021 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.802 1.449 3.225 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.133 0.077 0.768 1.00 0.00 C ATOM 0 H ILE A 40 0.928 4.063 0.352 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.180 3.298 2.879 1.00 0.00 H new ATOM 0 HB ILE A 40 2.350 2.501 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.459 1.374 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.458 2.006 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.280 0.519 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.492 2.024 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.904 1.222 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.490 -0.469 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.129 0.175 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.198 -0.467 1.710 1.00 0.00 H new ATOM 553 N GLN A 41 0.958 4.621 4.548 1.00 0.00 N ATOM 554 CA GLN A 41 1.607 5.392 5.594 1.00 0.00 C ATOM 555 C GLN A 41 2.235 4.458 6.631 1.00 0.00 C ATOM 556 O GLN A 41 3.268 4.778 7.215 1.00 0.00 O ATOM 557 CB GLN A 41 0.623 6.360 6.253 1.00 0.00 C ATOM 558 CG GLN A 41 1.358 7.539 6.894 1.00 0.00 C ATOM 559 CD GLN A 41 0.519 8.169 8.007 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.255 9.360 8.022 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.116 7.306 8.935 1.00 0.00 N ATOM 0 H GLN A 41 0.030 4.272 4.789 1.00 0.00 H new ATOM 0 HA GLN A 41 2.401 5.986 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.083 6.729 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.042 5.834 7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.311 7.200 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.583 8.288 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.373 6.322 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.450 7.629 9.720 1.00 0.00 H new ATOM 570 N THR A 42 1.583 3.321 6.827 1.00 0.00 N ATOM 571 CA THR A 42 2.065 2.338 7.783 1.00 0.00 C ATOM 572 C THR A 42 1.801 0.921 7.269 1.00 0.00 C ATOM 573 O THR A 42 1.063 0.734 6.303 1.00 0.00 O ATOM 574 CB THR A 42 1.404 2.627 9.132 1.00 0.00 C ATOM 575 OG1 THR A 42 0.102 3.094 8.788 1.00 0.00 O ATOM 576 CG2 THR A 42 2.045 3.813 9.855 1.00 0.00 C ATOM 0 H THR A 42 0.726 3.059 6.341 1.00 0.00 H new ATOM 0 HA THR A 42 3.145 2.408 7.912 1.00 0.00 H new ATOM 0 HB THR A 42 1.464 1.740 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.397 3.303 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.539 3.976 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.099 3.602 10.036 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.954 4.707 9.238 1.00 0.00 H new ATOM 584 N LEU A 43 2.420 -0.041 7.938 1.00 0.00 N ATOM 585 CA LEU A 43 2.261 -1.436 7.561 1.00 0.00 C ATOM 586 C LEU A 43 2.277 -2.305 8.820 1.00 0.00 C ATOM 587 O LEU A 43 3.329 -2.507 9.425 1.00 0.00 O ATOM 588 CB LEU A 43 3.315 -1.834 6.525 1.00 0.00 C ATOM 589 CG LEU A 43 3.020 -1.430 5.079 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.272 -1.554 4.209 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.848 -2.235 4.514 1.00 0.00 C ATOM 0 H LEU A 43 3.032 0.118 8.738 1.00 0.00 H new ATOM 0 HA LEU A 43 1.297 -1.593 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.268 -1.393 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.440 -2.916 6.561 1.00 0.00 H new ATOM 0 HG LEU A 43 2.725 -0.381 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.035 -1.261 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.053 -0.903 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.621 -2.587 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.659 -1.929 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.091 -3.297 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.958 -2.053 5.116 1.00 0.00 H new ATOM 603 N LEU A 44 1.099 -2.795 9.177 1.00 0.00 N ATOM 604 CA LEU A 44 0.965 -3.638 10.353 1.00 0.00 C ATOM 605 C LEU A 44 1.893 -4.846 10.218 1.00 0.00 C ATOM 606 O LEU A 44 2.203 -5.274 9.107 1.00 0.00 O ATOM 607 CB LEU A 44 -0.502 -4.011 10.580 1.00 0.00 C ATOM 608 CG LEU A 44 -1.107 -3.573 11.915 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.293 -2.632 11.697 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.486 -4.784 12.769 1.00 0.00 C ATOM 0 H LEU A 44 0.229 -2.624 8.673 1.00 0.00 H new ATOM 0 HA LEU A 44 1.275 -3.097 11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.095 -3.577 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.598 -5.094 10.498 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.350 -3.015 12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.705 -2.336 12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.960 -1.746 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.061 -3.143 11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.914 -4.444 13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.218 -5.390 12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.596 -5.382 12.968 1.00 0.00 H new ATOM 622 N PRO A 45 2.322 -5.375 11.395 1.00 0.00 N ATOM 623 CA PRO A 45 3.209 -6.526 11.419 1.00 0.00 C ATOM 624 C PRO A 45 2.451 -7.810 11.078 1.00 0.00 C ATOM 625 O PRO A 45 2.576 -8.335 9.973 1.00 0.00 O ATOM 626 CB PRO A 45 3.799 -6.539 12.820 1.00 0.00 C ATOM 627 CG PRO A 45 2.877 -5.679 13.669 1.00 0.00 C ATOM 628 CD PRO A 45 1.976 -4.894 12.729 1.00 0.00 C ATOM 0 HA PRO A 45 3.998 -6.464 10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.855 -7.555 13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.814 -6.141 12.820 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.282 -6.302 14.337 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.457 -5.002 14.296 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.923 -5.068 12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.148 -3.821 12.820 1.00 0.00 H new ATOM 636 N GLY A 46 1.680 -8.280 12.049 1.00 0.00 N ATOM 637 CA GLY A 46 0.902 -9.493 11.866 1.00 0.00 C ATOM 638 C GLY A 46 -0.248 -9.263 10.882 1.00 0.00 C ATOM 639 O GLY A 46 -1.412 -9.469 11.223 1.00 0.00 O ATOM 0 H GLY A 46 1.578 -7.842 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.547 -10.291 11.498 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.504 -9.822 12.826 1.00 0.00 H new ATOM 643 N SER A 47 0.119 -8.840 9.681 1.00 0.00 N ATOM 644 CA SER A 47 -0.867 -8.580 8.646 1.00 0.00 C ATOM 645 C SER A 47 -0.445 -9.255 7.340 1.00 0.00 C ATOM 646 O SER A 47 0.684 -9.728 7.218 1.00 0.00 O ATOM 647 CB SER A 47 -1.055 -7.077 8.430 1.00 0.00 C ATOM 648 OG SER A 47 -0.255 -6.588 7.357 1.00 0.00 O ATOM 0 H SER A 47 1.085 -8.671 9.402 1.00 0.00 H new ATOM 0 HA SER A 47 -1.821 -8.995 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.105 -6.869 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.798 -6.544 9.346 1.00 0.00 H new ATOM 0 HG SER A 47 0.545 -6.151 7.718 1.00 0.00 H new ATOM 654 N PRO A 48 -1.399 -9.280 6.371 1.00 0.00 N ATOM 655 CA PRO A 48 -1.137 -9.890 5.079 1.00 0.00 C ATOM 656 C PRO A 48 -0.241 -8.995 4.221 1.00 0.00 C ATOM 657 O PRO A 48 0.647 -9.484 3.525 1.00 0.00 O ATOM 658 CB PRO A 48 -2.510 -10.118 4.466 1.00 0.00 C ATOM 659 CG PRO A 48 -3.462 -9.209 5.227 1.00 0.00 C ATOM 660 CD PRO A 48 -2.747 -8.730 6.480 1.00 0.00 C ATOM 0 HA PRO A 48 -0.590 -10.830 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.508 -9.879 3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.810 -11.162 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.757 -8.362 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.374 -9.745 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.727 -7.641 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.247 -9.084 7.381 1.00 0.00 H new ATOM 668 N ALA A 49 -0.505 -7.699 4.300 1.00 0.00 N ATOM 669 CA ALA A 49 0.267 -6.730 3.539 1.00 0.00 C ATOM 670 C ALA A 49 1.751 -6.892 3.874 1.00 0.00 C ATOM 671 O ALA A 49 2.560 -7.190 2.997 1.00 0.00 O ATOM 672 CB ALA A 49 -0.247 -5.320 3.836 1.00 0.00 C ATOM 0 H ALA A 49 -1.242 -7.297 4.879 1.00 0.00 H new ATOM 0 HA ALA A 49 0.149 -6.901 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.332 -4.594 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.297 -5.249 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.142 -5.111 4.901 1.00 0.00 H new ATOM 678 N ALA A 50 2.064 -6.688 5.145 1.00 0.00 N ATOM 679 CA ALA A 50 3.437 -6.807 5.606 1.00 0.00 C ATOM 680 C ALA A 50 3.991 -8.174 5.198 1.00 0.00 C ATOM 681 O ALA A 50 5.133 -8.277 4.756 1.00 0.00 O ATOM 682 CB ALA A 50 3.488 -6.585 7.119 1.00 0.00 C ATOM 0 H ALA A 50 1.390 -6.441 5.870 1.00 0.00 H new ATOM 0 HA ALA A 50 4.065 -6.046 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.518 -6.674 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.111 -5.589 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.872 -7.333 7.617 1.00 0.00 H new ATOM 688 N ALA A 51 3.154 -9.188 5.362 1.00 0.00 N ATOM 689 CA ALA A 51 3.546 -10.544 5.016 1.00 0.00 C ATOM 690 C ALA A 51 4.155 -10.552 3.613 1.00 0.00 C ATOM 691 O ALA A 51 5.224 -11.122 3.400 1.00 0.00 O ATOM 692 CB ALA A 51 2.334 -11.471 5.131 1.00 0.00 C ATOM 0 H ALA A 51 2.207 -9.098 5.730 1.00 0.00 H new ATOM 0 HA ALA A 51 4.305 -10.912 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.628 -12.488 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.957 -11.452 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.552 -11.134 4.450 1.00 0.00 H new ATOM 698 N ASP A 52 3.448 -9.913 2.692 1.00 0.00 N ATOM 699 CA ASP A 52 3.906 -9.840 1.315 1.00 0.00 C ATOM 700 C ASP A 52 5.328 -9.276 1.284 1.00 0.00 C ATOM 701 O ASP A 52 6.228 -9.883 0.705 1.00 0.00 O ATOM 702 CB ASP A 52 3.012 -8.915 0.486 1.00 0.00 C ATOM 703 CG ASP A 52 3.393 -8.801 -0.991 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.175 -9.799 -1.712 1.00 0.00 O ATOM 705 OD2 ASP A 52 3.893 -7.719 -1.367 1.00 0.00 O ATOM 0 H ASP A 52 2.562 -9.441 2.873 1.00 0.00 H new ATOM 0 HA ASP A 52 3.873 -10.845 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.984 -9.271 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.034 -7.920 0.929 1.00 0.00 H new ATOM 710 N GLY A 53 5.486 -8.121 1.914 1.00 0.00 N ATOM 711 CA GLY A 53 6.783 -7.469 1.966 1.00 0.00 C ATOM 712 C GLY A 53 6.846 -6.293 0.989 1.00 0.00 C ATOM 713 O GLY A 53 7.159 -5.171 1.381 1.00 0.00 O ATOM 0 H GLY A 53 4.737 -7.620 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.976 -7.115 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.566 -8.189 1.725 1.00 0.00 H new ATOM 717 N ARG A 54 6.541 -6.592 -0.266 1.00 0.00 N ATOM 718 CA ARG A 54 6.559 -5.574 -1.302 1.00 0.00 C ATOM 719 C ARG A 54 6.007 -4.254 -0.759 1.00 0.00 C ATOM 720 O ARG A 54 6.677 -3.224 -0.822 1.00 0.00 O ATOM 721 CB ARG A 54 5.728 -6.006 -2.513 1.00 0.00 C ATOM 722 CG ARG A 54 6.342 -5.484 -3.813 1.00 0.00 C ATOM 723 CD ARG A 54 6.440 -3.957 -3.799 1.00 0.00 C ATOM 724 NE ARG A 54 6.951 -3.470 -5.100 1.00 0.00 N ATOM 725 CZ ARG A 54 8.252 -3.379 -5.409 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.181 -3.740 -4.514 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.623 -2.926 -6.615 1.00 0.00 N ATOM 0 H ARG A 54 6.280 -7.524 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 54 7.594 -5.438 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.666 -7.094 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.709 -5.632 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.334 -5.914 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.736 -5.805 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.460 -3.523 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.102 -3.634 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 54 6.271 -3.186 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.899 -4.085 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.171 -3.670 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.915 -2.651 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.613 -2.856 -6.851 1.00 0.00 H new ATOM 741 N LEU A 55 4.791 -4.327 -0.238 1.00 0.00 N ATOM 742 CA LEU A 55 4.142 -3.151 0.315 1.00 0.00 C ATOM 743 C LEU A 55 5.170 -2.324 1.091 1.00 0.00 C ATOM 744 O LEU A 55 5.765 -2.809 2.052 1.00 0.00 O ATOM 745 CB LEU A 55 2.923 -3.553 1.147 1.00 0.00 C ATOM 746 CG LEU A 55 1.579 -3.544 0.415 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.728 -4.080 -1.010 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.518 -4.310 1.208 1.00 0.00 C ATOM 0 H LEU A 55 4.238 -5.183 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 55 3.759 -2.517 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.092 -4.554 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.853 -2.880 2.002 1.00 0.00 H new ATOM 0 HG LEU A 55 1.239 -2.511 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.759 -4.063 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.431 -3.456 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.101 -5.104 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.427 -4.288 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.838 -5.344 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.387 -3.844 2.185 1.00 0.00 H new ATOM 760 N SER A 56 5.348 -1.089 0.644 1.00 0.00 N ATOM 761 CA SER A 56 6.293 -0.191 1.284 1.00 0.00 C ATOM 762 C SER A 56 5.591 1.107 1.687 1.00 0.00 C ATOM 763 O SER A 56 4.543 1.446 1.139 1.00 0.00 O ATOM 764 CB SER A 56 7.477 0.111 0.363 1.00 0.00 C ATOM 765 OG SER A 56 7.079 0.210 -1.002 1.00 0.00 O ATOM 0 H SER A 56 4.853 -0.690 -0.154 1.00 0.00 H new ATOM 0 HA SER A 56 6.678 -0.682 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.948 1.044 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.226 -0.674 0.466 1.00 0.00 H new ATOM 0 HG SER A 56 7.862 0.405 -1.558 1.00 0.00 H new ATOM 771 N LEU A 57 6.196 1.798 2.642 1.00 0.00 N ATOM 772 CA LEU A 57 5.642 3.052 3.125 1.00 0.00 C ATOM 773 C LEU A 57 5.840 4.135 2.063 1.00 0.00 C ATOM 774 O LEU A 57 6.960 4.373 1.615 1.00 0.00 O ATOM 775 CB LEU A 57 6.237 3.411 4.488 1.00 0.00 C ATOM 776 CG LEU A 57 5.995 2.402 5.612 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.053 3.082 6.981 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.680 1.649 5.401 1.00 0.00 C ATOM 0 H LEU A 57 7.065 1.513 3.095 1.00 0.00 H new ATOM 0 HA LEU A 57 4.568 2.957 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.313 3.542 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.831 4.374 4.797 1.00 0.00 H new ATOM 0 HG LEU A 57 6.796 1.663 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.878 2.342 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.035 3.533 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.287 3.856 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.533 0.938 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.853 2.359 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.716 1.113 4.453 1.00 0.00 H new ATOM 790 N GLY A 58 4.734 4.762 1.689 1.00 0.00 N ATOM 791 CA GLY A 58 4.772 5.814 0.688 1.00 0.00 C ATOM 792 C GLY A 58 4.185 5.329 -0.639 1.00 0.00 C ATOM 793 O GLY A 58 4.115 6.088 -1.605 1.00 0.00 O ATOM 0 H GLY A 58 3.806 4.561 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.212 6.679 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.801 6.140 0.537 1.00 0.00 H new ATOM 797 N ASP A 59 3.780 4.068 -0.645 1.00 0.00 N ATOM 798 CA ASP A 59 3.202 3.473 -1.838 1.00 0.00 C ATOM 799 C ASP A 59 1.983 4.290 -2.271 1.00 0.00 C ATOM 800 O ASP A 59 1.581 5.226 -1.581 1.00 0.00 O ATOM 801 CB ASP A 59 2.738 2.040 -1.569 1.00 0.00 C ATOM 802 CG ASP A 59 3.769 0.956 -1.891 1.00 0.00 C ATOM 803 OD1 ASP A 59 4.448 1.109 -2.929 1.00 0.00 O ATOM 804 OD2 ASP A 59 3.854 -0.001 -1.091 1.00 0.00 O ATOM 0 H ASP A 59 3.841 3.441 0.158 1.00 0.00 H new ATOM 0 HA ASP A 59 3.966 3.465 -2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.460 1.955 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.838 1.850 -2.154 1.00 0.00 H new ATOM 809 N ARG A 60 1.429 3.908 -3.412 1.00 0.00 N ATOM 810 CA ARG A 60 0.265 4.593 -3.946 1.00 0.00 C ATOM 811 C ARG A 60 -0.713 3.585 -4.552 1.00 0.00 C ATOM 812 O ARG A 60 -0.344 2.807 -5.430 1.00 0.00 O ATOM 813 CB ARG A 60 0.667 5.610 -5.016 1.00 0.00 C ATOM 814 CG ARG A 60 -0.535 6.450 -5.454 1.00 0.00 C ATOM 815 CD ARG A 60 -0.248 7.172 -6.772 1.00 0.00 C ATOM 816 NE ARG A 60 -1.129 8.354 -6.903 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.416 8.952 -8.068 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.893 8.481 -9.209 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.225 10.019 -8.092 1.00 0.00 N ATOM 0 H ARG A 60 1.765 3.132 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.216 5.120 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.449 6.263 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.085 5.090 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.409 5.809 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.775 7.179 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.797 7.481 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.408 6.494 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.544 8.738 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.277 7.668 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.111 8.936 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.623 10.377 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.443 10.474 -8.979 1.00 0.00 H new ATOM 833 N ILE A 61 -1.942 3.632 -4.059 1.00 0.00 N ATOM 834 CA ILE A 61 -2.977 2.732 -4.542 1.00 0.00 C ATOM 835 C ILE A 61 -3.620 3.327 -5.796 1.00 0.00 C ATOM 836 O ILE A 61 -3.958 4.509 -5.823 1.00 0.00 O ATOM 837 CB ILE A 61 -3.977 2.419 -3.427 1.00 0.00 C ATOM 838 CG1 ILE A 61 -3.254 2.097 -2.117 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.931 1.299 -3.845 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.473 0.787 -2.229 1.00 0.00 C ATOM 0 H ILE A 61 -2.245 4.279 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.545 1.774 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.582 3.308 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.573 2.910 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.979 2.024 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.631 1.096 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.483 1.604 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.359 0.397 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.969 0.582 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.160 -0.028 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.733 0.872 -3.025 1.00 0.00 H new ATOM 852 N LEU A 62 -3.770 2.481 -6.804 1.00 0.00 N ATOM 853 CA LEU A 62 -4.367 2.908 -8.058 1.00 0.00 C ATOM 854 C LEU A 62 -5.732 2.238 -8.222 1.00 0.00 C ATOM 855 O LEU A 62 -6.647 2.819 -8.803 1.00 0.00 O ATOM 856 CB LEU A 62 -3.410 2.647 -9.223 1.00 0.00 C ATOM 857 CG LEU A 62 -1.996 3.213 -9.069 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.122 2.838 -10.268 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.033 4.725 -8.838 1.00 0.00 C ATOM 0 H LEU A 62 -3.488 1.501 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.539 3.984 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.335 1.570 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.850 3.063 -10.129 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.542 2.763 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.123 3.252 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.057 1.753 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.562 3.242 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.016 5.102 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.513 5.211 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.596 4.941 -7.930 1.00 0.00 H new ATOM 871 N GLU A 63 -5.827 1.024 -7.699 1.00 0.00 N ATOM 872 CA GLU A 63 -7.065 0.269 -7.781 1.00 0.00 C ATOM 873 C GLU A 63 -7.219 -0.632 -6.554 1.00 0.00 C ATOM 874 O GLU A 63 -6.229 -1.111 -6.003 1.00 0.00 O ATOM 875 CB GLU A 63 -7.125 -0.549 -9.073 1.00 0.00 C ATOM 876 CG GLU A 63 -7.232 0.364 -10.295 1.00 0.00 C ATOM 877 CD GLU A 63 -7.035 -0.427 -11.590 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.264 -1.655 -11.545 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.660 0.214 -12.595 1.00 0.00 O ATOM 0 H GLU A 63 -5.066 0.545 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.897 0.973 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.233 -1.171 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.981 -1.223 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.208 0.850 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.484 1.154 -10.230 1.00 0.00 H new ATOM 886 N VAL A 64 -8.468 -0.836 -6.162 1.00 0.00 N ATOM 887 CA VAL A 64 -8.764 -1.671 -5.010 1.00 0.00 C ATOM 888 C VAL A 64 -9.856 -2.676 -5.382 1.00 0.00 C ATOM 889 O VAL A 64 -11.006 -2.297 -5.599 1.00 0.00 O ATOM 890 CB VAL A 64 -9.140 -0.797 -3.812 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.161 -1.502 -2.917 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.897 -0.395 -3.016 1.00 0.00 C ATOM 0 H VAL A 64 -9.287 -0.437 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.883 -2.241 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.603 0.113 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.411 -0.859 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.063 -1.714 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.738 -2.436 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.192 0.226 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.393 -1.290 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.219 0.166 -3.659 1.00 0.00 H new ATOM 902 N ASN A 65 -9.458 -3.938 -5.444 1.00 0.00 N ATOM 903 CA ASN A 65 -10.388 -5.001 -5.786 1.00 0.00 C ATOM 904 C ASN A 65 -10.873 -4.806 -7.224 1.00 0.00 C ATOM 905 O ASN A 65 -11.828 -5.451 -7.654 1.00 0.00 O ATOM 906 CB ASN A 65 -11.612 -4.978 -4.868 1.00 0.00 C ATOM 907 CG ASN A 65 -11.514 -6.066 -3.797 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.165 -7.205 -4.062 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.839 -5.653 -2.575 1.00 0.00 N ATOM 0 H ASN A 65 -8.503 -4.249 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.869 -5.953 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.696 -4.001 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.517 -5.124 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.804 -6.304 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.123 -4.685 -2.422 1.00 0.00 H new ATOM 916 N GLY A 66 -10.193 -3.913 -7.928 1.00 0.00 N ATOM 917 CA GLY A 66 -10.542 -3.625 -9.309 1.00 0.00 C ATOM 918 C GLY A 66 -11.456 -2.401 -9.399 1.00 0.00 C ATOM 919 O GLY A 66 -12.279 -2.302 -10.308 1.00 0.00 O ATOM 0 H GLY A 66 -9.402 -3.379 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.635 -3.450 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.040 -4.489 -9.750 1.00 0.00 H new ATOM 923 N SER A 67 -11.281 -1.500 -8.444 1.00 0.00 N ATOM 924 CA SER A 67 -12.080 -0.287 -8.404 1.00 0.00 C ATOM 925 C SER A 67 -11.174 0.941 -8.514 1.00 0.00 C ATOM 926 O SER A 67 -10.451 1.270 -7.575 1.00 0.00 O ATOM 927 CB SER A 67 -12.914 -0.218 -7.122 1.00 0.00 C ATOM 928 OG SER A 67 -14.231 -0.726 -7.314 1.00 0.00 O ATOM 0 H SER A 67 -10.598 -1.586 -7.692 1.00 0.00 H new ATOM 0 HA SER A 67 -12.766 -0.302 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.417 -0.786 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.970 0.816 -6.781 1.00 0.00 H new ATOM 0 HG SER A 67 -14.731 -0.666 -6.473 1.00 0.00 H new ATOM 934 N SER A 68 -11.242 1.585 -9.670 1.00 0.00 N ATOM 935 CA SER A 68 -10.437 2.769 -9.915 1.00 0.00 C ATOM 936 C SER A 68 -10.571 3.745 -8.744 1.00 0.00 C ATOM 937 O SER A 68 -11.641 4.309 -8.520 1.00 0.00 O ATOM 938 CB SER A 68 -10.844 3.451 -11.223 1.00 0.00 C ATOM 939 OG SER A 68 -12.219 3.823 -11.226 1.00 0.00 O ATOM 0 H SER A 68 -11.842 1.309 -10.447 1.00 0.00 H new ATOM 0 HA SER A 68 -9.395 2.461 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.228 4.337 -11.376 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.649 2.779 -12.058 1.00 0.00 H new ATOM 0 HG SER A 68 -12.475 4.137 -10.334 1.00 0.00 H new ATOM 945 N LEU A 69 -9.469 3.914 -8.028 1.00 0.00 N ATOM 946 CA LEU A 69 -9.450 4.812 -6.885 1.00 0.00 C ATOM 947 C LEU A 69 -8.985 6.197 -7.338 1.00 0.00 C ATOM 948 O LEU A 69 -8.061 6.766 -6.759 1.00 0.00 O ATOM 949 CB LEU A 69 -8.608 4.220 -5.753 1.00 0.00 C ATOM 950 CG LEU A 69 -9.177 4.377 -4.341 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.308 3.647 -3.316 1.00 0.00 C ATOM 952 CD2 LEU A 69 -9.364 5.854 -3.987 1.00 0.00 C ATOM 0 H LEU A 69 -8.583 3.445 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.454 4.930 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.466 3.157 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.622 4.684 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.163 3.913 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.734 3.774 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.270 2.586 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.299 4.060 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.769 5.938 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.402 6.364 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.054 6.313 -4.695 1.00 0.00 H new ATOM 964 N LEU A 70 -9.646 6.700 -8.370 1.00 0.00 N ATOM 965 CA LEU A 70 -9.312 8.008 -8.908 1.00 0.00 C ATOM 966 C LEU A 70 -10.316 9.039 -8.390 1.00 0.00 C ATOM 967 O LEU A 70 -11.524 8.811 -8.434 1.00 0.00 O ATOM 968 CB LEU A 70 -9.220 7.952 -10.434 1.00 0.00 C ATOM 969 CG LEU A 70 -7.984 7.255 -11.006 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.058 7.174 -12.532 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.700 7.938 -10.530 1.00 0.00 C ATOM 0 H LEU A 70 -10.412 6.225 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.326 8.321 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.107 7.445 -10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.248 8.972 -10.818 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.963 6.232 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.168 6.674 -12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.944 6.610 -12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.115 8.180 -12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.836 7.423 -10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.698 8.978 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.650 7.901 -9.442 1.00 0.00 H new ATOM 983 N GLY A 71 -9.780 10.152 -7.910 1.00 0.00 N ATOM 984 CA GLY A 71 -10.614 11.219 -7.384 1.00 0.00 C ATOM 985 C GLY A 71 -11.654 10.670 -6.406 1.00 0.00 C ATOM 986 O GLY A 71 -12.689 11.294 -6.179 1.00 0.00 O ATOM 0 H GLY A 71 -8.778 10.338 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.991 11.958 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.116 11.731 -8.205 1.00 0.00 H new ATOM 990 N LEU A 72 -11.342 9.507 -5.851 1.00 0.00 N ATOM 991 CA LEU A 72 -12.237 8.867 -4.902 1.00 0.00 C ATOM 992 C LEU A 72 -11.957 9.409 -3.499 1.00 0.00 C ATOM 993 O LEU A 72 -10.819 9.377 -3.033 1.00 0.00 O ATOM 994 CB LEU A 72 -12.128 7.345 -5.006 1.00 0.00 C ATOM 995 CG LEU A 72 -13.187 6.654 -5.868 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.101 5.133 -5.729 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.587 7.181 -5.544 1.00 0.00 C ATOM 0 H LEU A 72 -10.482 8.992 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.275 9.106 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.145 7.097 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.178 6.927 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.986 6.893 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.865 4.667 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.116 4.794 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.262 4.853 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.321 6.674 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.813 6.992 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.626 8.253 -5.736 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.015 9.894 -2.865 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.897 10.442 -1.524 1.00 0.00 C ATOM 1011 C GLY A 73 -12.273 9.424 -0.568 1.00 0.00 C ATOM 1012 O GLY A 73 -12.591 8.237 -0.627 1.00 0.00 O ATOM 0 H GLY A 73 -13.957 9.919 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.286 11.345 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.882 10.733 -1.158 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.397 9.925 0.290 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.726 9.073 1.257 1.00 0.00 C ATOM 1018 C TYR A 74 -11.692 8.042 1.844 1.00 0.00 C ATOM 1019 O TYR A 74 -11.329 6.882 2.030 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.248 10.001 2.375 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.743 9.268 3.620 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.643 8.762 4.535 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.387 9.112 3.826 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.168 8.071 5.706 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.912 8.421 4.997 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.826 7.935 5.879 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.377 7.283 6.985 1.00 0.00 O ATOM 0 H TYR A 74 -11.136 10.910 0.336 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.907 8.529 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.449 10.635 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.068 10.660 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.704 8.884 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.683 9.508 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.862 7.670 6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.854 8.292 5.171 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.397 7.261 6.976 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.903 8.504 2.119 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.924 7.636 2.681 1.00 0.00 C ATOM 1039 C LEU A 75 -14.242 6.518 1.686 1.00 0.00 C ATOM 1040 O LEU A 75 -14.135 5.338 2.017 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.149 8.452 3.100 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.046 9.174 4.445 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -16.195 10.168 4.623 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.968 8.174 5.600 1.00 0.00 C ATOM 0 H LEU A 75 -13.200 9.467 1.963 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.560 7.159 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.349 9.194 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.011 7.786 3.133 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.120 9.748 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.098 10.667 5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.161 10.910 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.146 9.636 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.895 8.714 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.864 7.553 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.089 7.542 5.475 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.625 6.928 0.486 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.958 5.976 -0.560 1.00 0.00 C ATOM 1058 C ARG A 76 -13.874 4.901 -0.664 1.00 0.00 C ATOM 1059 O ARG A 76 -14.179 3.711 -0.719 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.107 6.674 -1.913 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.576 6.973 -2.218 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.206 5.847 -3.041 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.381 6.358 -3.781 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.564 6.634 -3.215 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.736 6.450 -1.899 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.575 7.094 -3.964 1.00 0.00 N ATOM 0 H ARG A 76 -14.712 7.907 0.215 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.909 5.513 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.536 7.603 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.690 6.044 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.126 7.098 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.654 7.914 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.474 5.442 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.506 5.030 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.285 6.510 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.967 6.100 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.636 6.660 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.445 7.234 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.475 7.304 -3.532 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.631 5.360 -0.688 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.501 4.452 -0.784 1.00 0.00 C ATOM 1082 C ALA A 77 -11.504 3.510 0.422 1.00 0.00 C ATOM 1083 O ALA A 77 -11.208 2.324 0.288 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.206 5.260 -0.890 1.00 0.00 C ATOM 0 H ALA A 77 -12.382 6.348 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.577 3.838 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.357 4.580 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.242 5.890 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.095 5.886 -0.005 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.841 4.075 1.572 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.886 3.300 2.800 1.00 0.00 C ATOM 1092 C VAL A 78 -13.039 2.298 2.724 1.00 0.00 C ATOM 1093 O VAL A 78 -12.871 1.126 3.057 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.987 4.237 4.006 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.059 3.443 5.312 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.822 5.228 4.030 1.00 0.00 C ATOM 0 H VAL A 78 -12.085 5.059 1.679 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.966 2.728 2.925 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.910 4.809 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.130 4.132 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.937 2.797 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.161 2.834 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.918 5.882 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.881 4.682 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.836 5.828 3.120 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.186 2.795 2.284 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.366 1.958 2.159 1.00 0.00 C ATOM 1108 C ASP A 79 -15.095 0.848 1.141 1.00 0.00 C ATOM 1109 O ASP A 79 -15.704 -0.218 1.202 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.567 2.768 1.666 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.932 2.131 1.937 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.935 0.995 2.458 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.941 2.795 1.616 1.00 0.00 O ATOM 0 H ASP A 79 -14.323 3.768 2.010 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.589 1.543 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.541 3.751 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.463 2.926 0.593 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.179 1.138 0.228 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.819 0.178 -0.801 1.00 0.00 C ATOM 1120 C LEU A 80 -13.084 -1.000 -0.160 1.00 0.00 C ATOM 1121 O LEU A 80 -13.510 -2.146 -0.287 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.028 0.862 -1.918 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.857 1.596 -2.974 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -12.955 2.232 -4.034 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.903 0.667 -3.594 1.00 0.00 C ATOM 0 H LEU A 80 -13.676 2.024 0.180 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.714 -0.225 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.340 1.575 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.421 0.109 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.397 2.405 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.569 2.747 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.283 2.946 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.370 1.456 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.478 1.214 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.404 -0.178 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.573 0.303 -2.815 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.991 -0.677 0.516 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.192 -1.694 1.178 1.00 0.00 C ATOM 1139 C ILE A 81 -11.969 -2.250 2.373 1.00 0.00 C ATOM 1140 O ILE A 81 -11.901 -3.444 2.661 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.814 -1.139 1.545 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.937 -0.981 0.301 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.143 -2.002 2.615 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.842 0.486 -0.121 1.00 0.00 C ATOM 0 H ILE A 81 -11.640 0.275 0.619 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.004 -2.529 0.503 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.948 -0.145 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.939 -1.370 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.350 -1.572 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.165 -1.586 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.763 -2.018 3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.022 -3.018 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.213 0.570 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.839 0.865 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.406 1.070 0.690 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.691 -1.358 3.035 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.481 -1.744 4.192 1.00 0.00 C ATOM 1158 C ARG A 82 -14.418 -2.899 3.833 1.00 0.00 C ATOM 1159 O ARG A 82 -14.413 -3.936 4.495 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.309 -0.567 4.711 1.00 0.00 C ATOM 1161 CG ARG A 82 -15.555 -1.057 5.452 1.00 0.00 C ATOM 1162 CD ARG A 82 -16.332 0.115 6.054 1.00 0.00 C ATOM 1163 NE ARG A 82 -17.766 -0.233 6.167 1.00 0.00 N ATOM 1164 CZ ARG A 82 -18.634 0.411 6.959 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -18.221 1.439 7.711 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -19.917 0.025 6.998 1.00 0.00 N ATOM 0 H ARG A 82 -12.746 -0.369 2.792 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.791 -2.061 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.701 0.043 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.604 0.070 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.197 -1.609 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.264 -1.749 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.931 0.361 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.212 1.000 5.430 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.115 -1.011 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.245 1.733 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.883 1.928 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.232 -0.758 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.579 0.514 7.601 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.200 -2.680 2.786 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.141 -3.690 2.331 1.00 0.00 C ATOM 1182 C HIS A 83 -15.475 -4.573 1.274 1.00 0.00 C ATOM 1183 O HIS A 83 -16.127 -5.014 0.329 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.435 -3.042 1.833 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.367 -2.605 2.938 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -19.015 -1.382 2.932 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.755 -3.240 4.081 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -19.755 -1.295 4.027 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.592 -2.447 4.738 1.00 0.00 N ATOM 0 H HIS A 83 -15.201 -1.819 2.240 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.423 -4.332 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.183 -2.176 1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.958 -3.748 1.188 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -18.936 -0.669 2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.435 -4.222 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.378 -0.459 4.307 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.186 -4.805 1.470 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.424 -5.627 0.545 1.00 0.00 C ATOM 1199 C GLY A 84 -13.995 -7.045 0.475 1.00 0.00 C ATOM 1200 O GLY A 84 -15.209 -7.233 0.535 1.00 0.00 O ATOM 0 H GLY A 84 -13.649 -4.438 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.440 -5.175 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.382 -5.666 0.861 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.092 -8.006 0.349 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.490 -9.402 0.271 1.00 0.00 C ATOM 1206 C GLY A 85 -12.378 -10.319 0.784 1.00 0.00 C ATOM 1207 O GLY A 85 -11.318 -9.847 1.193 1.00 0.00 O ATOM 0 H GLY A 85 -12.086 -7.846 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.395 -9.559 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.730 -9.658 -0.761 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.657 -11.613 0.746 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.694 -12.601 1.202 1.00 0.00 C ATOM 1213 C LYS A 86 -10.335 -12.317 0.559 1.00 0.00 C ATOM 1214 O LYS A 86 -9.296 -12.488 1.194 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.214 -14.016 0.942 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.170 -15.064 1.333 1.00 0.00 C ATOM 1217 CD LYS A 86 -11.315 -15.461 2.804 1.00 0.00 C ATOM 1218 CE LYS A 86 -10.239 -16.471 3.208 1.00 0.00 C ATOM 1219 NZ LYS A 86 -10.077 -16.494 4.679 1.00 0.00 N ATOM 0 H LYS A 86 -13.537 -12.001 0.406 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.557 -12.530 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.130 -14.181 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.468 -14.126 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.281 -15.946 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.169 -14.669 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.240 -14.574 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.303 -15.889 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.511 -17.464 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.292 -16.211 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.343 -17.184 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.796 -15.550 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.978 -16.764 5.123 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.388 -11.887 -0.694 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.174 -11.578 -1.430 1.00 0.00 C ATOM 1235 C LYS A 87 -9.167 -10.091 -1.793 1.00 0.00 C ATOM 1236 O LYS A 87 -9.973 -9.644 -2.607 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.028 -12.506 -2.637 1.00 0.00 C ATOM 1238 CG LYS A 87 -7.958 -13.570 -2.385 1.00 0.00 C ATOM 1239 CD LYS A 87 -7.855 -14.536 -3.567 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.688 -15.795 -3.321 1.00 0.00 C ATOM 1241 NZ LYS A 87 -7.991 -16.989 -3.851 1.00 0.00 N ATOM 0 H LYS A 87 -11.252 -11.746 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.296 -11.759 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.983 -12.988 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.765 -11.922 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.994 -13.089 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.198 -14.124 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.197 -14.041 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.812 -14.811 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.868 -15.916 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.662 -15.693 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.570 -17.835 -3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.841 -16.878 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.072 -17.094 -3.376 1.00 0.00 H new ATOM 1255 N MET A 88 -8.249 -9.367 -1.170 1.00 0.00 N ATOM 1256 CA MET A 88 -8.128 -7.940 -1.417 1.00 0.00 C ATOM 1257 C MET A 88 -7.018 -7.652 -2.430 1.00 0.00 C ATOM 1258 O MET A 88 -5.862 -8.009 -2.208 1.00 0.00 O ATOM 1259 CB MET A 88 -7.820 -7.219 -0.104 1.00 0.00 C ATOM 1260 CG MET A 88 -9.016 -7.281 0.849 1.00 0.00 C ATOM 1261 SD MET A 88 -9.394 -5.647 1.461 1.00 0.00 S ATOM 1262 CE MET A 88 -9.771 -4.820 -0.075 1.00 0.00 C ATOM 0 H MET A 88 -7.582 -9.741 -0.495 1.00 0.00 H new ATOM 0 HA MET A 88 -9.071 -7.580 -1.827 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.949 -7.673 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.566 -6.179 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.882 -7.694 0.332 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.794 -7.948 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.323 -3.826 -0.073 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.369 -5.398 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.852 -4.730 -0.184 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.408 -7.009 -3.521 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.461 -6.669 -4.569 1.00 0.00 C ATOM 1274 C ARG A 89 -6.197 -5.162 -4.577 1.00 0.00 C ATOM 1275 O ARG A 89 -7.130 -4.364 -4.493 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.982 -7.096 -5.942 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.766 -8.593 -6.170 1.00 0.00 C ATOM 1278 CD ARG A 89 -7.631 -9.103 -7.324 1.00 0.00 C ATOM 1279 NE ARG A 89 -9.048 -9.172 -6.903 1.00 0.00 N ATOM 1280 CZ ARG A 89 -10.085 -9.172 -7.751 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -9.870 -9.106 -9.072 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -11.337 -9.238 -7.279 1.00 0.00 N ATOM 0 H ARG A 89 -8.368 -6.714 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.533 -7.203 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.044 -6.862 -6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.472 -6.529 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.715 -8.783 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.008 -9.142 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.531 -8.441 -8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.288 -10.089 -7.638 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.248 -9.223 -5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.917 -9.056 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.659 -9.106 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.501 -9.288 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.126 -9.238 -7.925 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.922 -4.817 -4.679 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.523 -3.420 -4.699 1.00 0.00 C ATOM 1298 C PHE A 90 -3.483 -3.162 -5.791 1.00 0.00 C ATOM 1299 O PHE A 90 -2.492 -3.883 -5.892 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.901 -3.113 -3.336 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.788 -3.488 -2.147 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -6.029 -2.945 -2.027 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.336 -4.366 -1.211 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.853 -3.293 -0.924 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.160 -4.714 -0.109 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.401 -4.171 0.012 1.00 0.00 C ATOM 0 H PHE A 90 -4.151 -5.481 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.388 -2.789 -4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.954 -3.647 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.673 -2.048 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.388 -2.249 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.351 -4.798 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.838 -2.861 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.801 -5.411 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.027 -4.437 0.851 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.745 -2.131 -6.581 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.844 -1.769 -7.662 1.00 0.00 C ATOM 1318 C LEU A 91 -1.838 -0.733 -7.156 1.00 0.00 C ATOM 1319 O LEU A 91 -2.077 0.470 -7.256 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.635 -1.310 -8.888 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.834 -1.145 -10.181 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -2.016 -2.402 -10.483 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.746 -0.760 -11.347 1.00 0.00 C ATOM 0 H LEU A 91 -4.568 -1.535 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.272 -2.638 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.435 -2.028 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.109 -0.357 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.128 -0.327 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.456 -2.258 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.322 -2.590 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.686 -3.254 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.151 -0.649 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.494 -1.539 -11.497 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.245 0.183 -11.123 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.734 -1.237 -6.625 1.00 0.00 N ATOM 1336 CA VAL A 92 0.309 -0.370 -6.103 1.00 0.00 C ATOM 1337 C VAL A 92 1.297 -0.038 -7.223 1.00 0.00 C ATOM 1338 O VAL A 92 1.490 -0.834 -8.141 1.00 0.00 O ATOM 1339 CB VAL A 92 0.975 -1.024 -4.891 1.00 0.00 C ATOM 1340 CG1 VAL A 92 1.935 -0.051 -4.202 1.00 0.00 C ATOM 1341 CG2 VAL A 92 -0.072 -1.551 -3.908 1.00 0.00 C ATOM 0 H VAL A 92 -0.539 -2.235 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.115 0.572 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 92 1.558 -1.874 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.395 -0.540 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.710 0.254 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.384 0.827 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.428 -2.011 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.694 -0.726 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.697 -2.293 -4.405 1.00 0.00 H new ATOM 1351 N ALA A 93 1.898 1.137 -7.110 1.00 0.00 N ATOM 1352 CA ALA A 93 2.862 1.584 -8.101 1.00 0.00 C ATOM 1353 C ALA A 93 4.207 1.838 -7.419 1.00 0.00 C ATOM 1354 O ALA A 93 4.255 2.161 -6.233 1.00 0.00 O ATOM 1355 CB ALA A 93 2.324 2.827 -8.812 1.00 0.00 C ATOM 0 H ALA A 93 1.736 1.794 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 93 3.017 0.817 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.047 3.162 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.382 2.585 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.159 3.620 -8.083 1.00 0.00 H new ATOM 1361 N LYS A 94 5.268 1.684 -8.198 1.00 0.00 N ATOM 1362 CA LYS A 94 6.611 1.893 -7.684 1.00 0.00 C ATOM 1363 C LYS A 94 6.847 3.391 -7.481 1.00 0.00 C ATOM 1364 O LYS A 94 7.123 4.114 -8.437 1.00 0.00 O ATOM 1365 CB LYS A 94 7.643 1.225 -8.594 1.00 0.00 C ATOM 1366 CG LYS A 94 8.470 0.194 -7.823 1.00 0.00 C ATOM 1367 CD LYS A 94 9.492 0.880 -6.915 1.00 0.00 C ATOM 1368 CE LYS A 94 10.668 1.427 -7.727 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.946 0.873 -7.227 1.00 0.00 N ATOM 0 H LYS A 94 5.225 1.417 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 94 6.725 1.417 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.137 0.740 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.303 1.982 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.809 -0.433 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.984 -0.463 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.012 1.693 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.857 0.171 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.541 1.172 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.687 2.515 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.733 1.255 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.073 1.138 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.931 -0.164 -7.311 1.00 0.00 H new ATOM 1383 N SER A 95 6.730 3.812 -6.230 1.00 0.00 N ATOM 1384 CA SER A 95 6.927 5.211 -5.890 1.00 0.00 C ATOM 1385 C SER A 95 8.420 5.503 -5.723 1.00 0.00 C ATOM 1386 O SER A 95 9.257 4.632 -5.957 1.00 0.00 O ATOM 1387 CB SER A 95 6.168 5.580 -4.614 1.00 0.00 C ATOM 1388 OG SER A 95 4.758 5.468 -4.781 1.00 0.00 O ATOM 0 H SER A 95 6.501 3.209 -5.440 1.00 0.00 H new ATOM 0 HA SER A 95 6.533 5.820 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.489 4.930 -3.800 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.419 6.601 -4.325 1.00 0.00 H new ATOM 0 HG SER A 95 4.314 5.619 -3.921 1.00 0.00 H new ATOM 1394 N ASP A 96 8.708 6.732 -5.320 1.00 0.00 N ATOM 1395 CA ASP A 96 10.085 7.150 -5.119 1.00 0.00 C ATOM 1396 C ASP A 96 10.319 7.421 -3.632 1.00 0.00 C ATOM 1397 O ASP A 96 9.368 7.528 -2.859 1.00 0.00 O ATOM 1398 CB ASP A 96 10.388 8.438 -5.888 1.00 0.00 C ATOM 1399 CG ASP A 96 9.872 8.467 -7.328 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.310 7.593 -8.106 1.00 0.00 O ATOM 1401 OD2 ASP A 96 9.050 9.364 -7.618 1.00 0.00 O ATOM 0 H ASP A 96 8.011 7.452 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 96 10.735 6.353 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.954 9.278 -5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.467 8.590 -5.901 1.00 0.00 H new ATOM 1406 N VAL A 97 11.591 7.526 -3.275 1.00 0.00 N ATOM 1407 CA VAL A 97 11.962 7.783 -1.894 1.00 0.00 C ATOM 1408 C VAL A 97 11.386 9.131 -1.458 1.00 0.00 C ATOM 1409 O VAL A 97 10.635 9.205 -0.487 1.00 0.00 O ATOM 1410 CB VAL A 97 13.482 7.704 -1.737 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.178 8.764 -2.594 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.889 7.833 -0.268 1.00 0.00 C ATOM 0 H VAL A 97 12.377 7.438 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 97 11.541 7.022 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 97 13.804 6.724 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.257 8.686 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.927 8.606 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.846 9.756 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.974 7.774 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.547 8.792 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.436 7.026 0.307 1.00 0.00 H new ATOM 1422 N GLU A 98 11.759 10.165 -2.198 1.00 0.00 N ATOM 1423 CA GLU A 98 11.288 11.507 -1.900 1.00 0.00 C ATOM 1424 C GLU A 98 9.811 11.476 -1.501 1.00 0.00 C ATOM 1425 O GLU A 98 9.442 11.961 -0.432 1.00 0.00 O ATOM 1426 CB GLU A 98 11.515 12.445 -3.087 1.00 0.00 C ATOM 1427 CG GLU A 98 13.000 12.518 -3.451 1.00 0.00 C ATOM 1428 CD GLU A 98 13.548 13.930 -3.235 1.00 0.00 C ATOM 1429 OE1 GLU A 98 14.000 14.195 -2.100 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.502 14.713 -4.209 1.00 0.00 O ATOM 0 H GLU A 98 12.382 10.100 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 98 11.863 11.893 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.943 12.095 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.147 13.442 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.562 11.809 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.138 12.226 -4.492 1.00 0.00 H new ATOM 1437 N THR A 99 9.006 10.899 -2.381 1.00 0.00 N ATOM 1438 CA THR A 99 7.578 10.798 -2.135 1.00 0.00 C ATOM 1439 C THR A 99 7.317 10.269 -0.723 1.00 0.00 C ATOM 1440 O THR A 99 6.442 10.772 -0.020 1.00 0.00 O ATOM 1441 CB THR A 99 6.969 9.925 -3.233 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.695 10.839 -4.292 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.593 9.375 -2.850 1.00 0.00 C ATOM 0 H THR A 99 9.316 10.497 -3.266 1.00 0.00 H new ATOM 0 HA THR A 99 7.099 11.776 -2.176 1.00 0.00 H new ATOM 0 HB THR A 99 7.642 9.096 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.299 10.356 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.206 8.762 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.682 8.767 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.909 10.203 -2.663 1.00 0.00 H new ATOM 1451 N ALA A 100 8.092 9.261 -0.351 1.00 0.00 N ATOM 1452 CA ALA A 100 7.955 8.658 0.964 1.00 0.00 C ATOM 1453 C ALA A 100 8.421 9.653 2.028 1.00 0.00 C ATOM 1454 O ALA A 100 7.750 9.846 3.040 1.00 0.00 O ATOM 1455 CB ALA A 100 8.741 7.346 1.009 1.00 0.00 C ATOM 0 H ALA A 100 8.817 8.847 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 100 6.911 8.420 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.638 6.894 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.352 6.663 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.794 7.546 0.809 1.00 0.00 H new ATOM 1461 N LYS A 101 9.569 10.260 1.762 1.00 0.00 N ATOM 1462 CA LYS A 101 10.133 11.231 2.684 1.00 0.00 C ATOM 1463 C LYS A 101 9.025 12.163 3.178 1.00 0.00 C ATOM 1464 O LYS A 101 8.912 12.419 4.376 1.00 0.00 O ATOM 1465 CB LYS A 101 11.310 11.964 2.037 1.00 0.00 C ATOM 1466 CG LYS A 101 12.599 11.148 2.161 1.00 0.00 C ATOM 1467 CD LYS A 101 13.587 11.512 1.052 1.00 0.00 C ATOM 1468 CE LYS A 101 15.010 11.089 1.423 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.949 11.408 0.325 1.00 0.00 N ATOM 0 H LYS A 101 10.123 10.098 0.921 1.00 0.00 H new ATOM 0 HA LYS A 101 10.543 10.730 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.093 12.150 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.443 12.936 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.056 11.329 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.366 10.084 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.290 11.026 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.558 12.587 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.321 11.599 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.035 10.019 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.910 11.114 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.660 10.902 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.938 12.432 0.145 1.00 0.00 H new ATOM 1483 N LYS A 102 8.235 12.645 2.229 1.00 0.00 N ATOM 1484 CA LYS A 102 7.140 13.544 2.553 1.00 0.00 C ATOM 1485 C LYS A 102 6.076 12.780 3.344 1.00 0.00 C ATOM 1486 O LYS A 102 5.453 13.334 4.248 1.00 0.00 O ATOM 1487 CB LYS A 102 6.603 14.211 1.285 1.00 0.00 C ATOM 1488 CG LYS A 102 7.692 15.035 0.595 1.00 0.00 C ATOM 1489 CD LYS A 102 7.497 15.041 -0.922 1.00 0.00 C ATOM 1490 CE LYS A 102 8.843 15.099 -1.647 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.896 16.272 -2.548 1.00 0.00 N ATOM 0 H LYS A 102 8.331 12.430 1.237 1.00 0.00 H new ATOM 0 HA LYS A 102 7.489 14.357 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.229 13.450 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.760 14.854 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.673 16.058 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.672 14.624 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.954 14.146 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.887 15.897 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.653 15.155 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.993 14.185 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.816 16.296 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.135 16.202 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.774 17.142 -1.992 1.00 0.00 H new ATOM 1505 N ILE A 103 5.902 11.519 2.975 1.00 0.00 N ATOM 1506 CA ILE A 103 4.924 10.674 3.639 1.00 0.00 C ATOM 1507 C ILE A 103 5.308 10.517 5.111 1.00 0.00 C ATOM 1508 O ILE A 103 4.439 10.416 5.976 1.00 0.00 O ATOM 1509 CB ILE A 103 4.775 9.343 2.898 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.090 9.544 1.544 1.00 0.00 C ATOM 1511 CG2 ILE A 103 4.046 8.313 3.762 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.593 9.806 1.721 1.00 0.00 C ATOM 0 H ILE A 103 6.422 11.063 2.225 1.00 0.00 H new ATOM 0 HA ILE A 103 3.939 11.140 3.613 1.00 0.00 H new ATOM 0 HB ILE A 103 5.772 8.948 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.550 10.382 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.237 8.660 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.954 7.377 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.611 8.141 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.053 8.686 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.130 9.945 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.132 8.956 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.449 10.704 2.322 1.00 0.00 H new ATOM 1524 N HIS A 104 6.611 10.503 5.352 1.00 0.00 N ATOM 1525 CA HIS A 104 7.120 10.361 6.705 1.00 0.00 C ATOM 1526 C HIS A 104 6.735 11.590 7.531 1.00 0.00 C ATOM 1527 O HIS A 104 6.646 12.696 6.999 1.00 0.00 O ATOM 1528 CB HIS A 104 8.628 10.103 6.694 1.00 0.00 C ATOM 1529 CG HIS A 104 9.003 8.643 6.790 1.00 0.00 C ATOM 1530 ND1 HIS A 104 10.044 8.186 7.579 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.463 7.543 6.190 1.00 0.00 C ATOM 1532 CE1 HIS A 104 10.120 6.870 7.451 1.00 0.00 C ATOM 1533 NE2 HIS A 104 9.140 6.473 6.589 1.00 0.00 N ATOM 0 H HIS A 104 7.329 10.588 4.633 1.00 0.00 H new ATOM 0 HA HIS A 104 6.664 9.491 7.179 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.050 10.516 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.084 10.640 7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.627 7.543 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.833 6.224 7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.957 5.512 6.299 1.00 0.00 H new