USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -56:sc= 1.09 USER MOD Set 1.2: A 83 THR OG1 : rot -140:sc= 0.874 USER MOD Set 1.3: A 86 TYR OH : rot 106:sc= 1.17 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= -2.12 (180deg=-6.84!) USER MOD Single : A 14 MET CE :methyl 162:sc= -0.0703 (180deg=-0.484) USER MOD Single : A 16 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.1) USER MOD Single : A 17 TYR OH : rot -79:sc= 0.423 USER MOD Single : A 18 THR OG1 : rot 16:sc= 0.945 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 27 HIS : no HD1:sc= -3.95! K(o=-4!,f=-1.9) USER MOD Single : A 28 TYR OH : rot -16:sc= 0.201 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 24:sc= -0.372 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.099 K(o=-0.099,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.0474 (180deg=-0.319) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-1.3) USER MOD Single : A 76 CYS SG : rot -94:sc= 0.781 USER MOD Single : A 84 MET CE :methyl 172:sc= -0.402 (180deg=-0.683) USER MOD Single : A 91 ASN : amide:sc= -0.579 K(o=-0.58,f=-1.5) USER MOD Single : A 112 GLN : amide:sc= -0.789 K(o=-0.79,f=-3.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.673 3.277 7.767 1.00 0.00 N ATOM 100 CA LYS A 10 -3.674 1.842 7.507 1.00 0.00 C ATOM 101 C LYS A 10 -2.267 1.266 7.635 1.00 0.00 C ATOM 102 O LYS A 10 -1.278 1.973 7.448 1.00 0.00 O ATOM 103 CB LYS A 10 -4.228 1.557 6.110 1.00 0.00 C ATOM 104 CG LYS A 10 -4.275 0.078 5.765 1.00 0.00 C ATOM 105 CD LYS A 10 -5.205 -0.192 4.594 1.00 0.00 C ATOM 106 CE LYS A 10 -6.625 -0.473 5.063 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.426 0.776 5.186 1.00 0.00 N ATOM 0 HA LYS A 10 -4.313 1.363 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.233 1.971 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.615 2.074 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.272 -0.272 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.609 -0.489 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.206 0.667 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.834 -1.043 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.112 -1.149 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.595 -0.982 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.735 0.895 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.844 1.591 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.259 0.716 4.567 1.00 0.00 H new ATOM 121 N GLU A 11 -2.188 -0.023 7.954 1.00 0.00 N ATOM 122 CA GLU A 11 -0.902 -0.693 8.106 1.00 0.00 C ATOM 123 C GLU A 11 -1.064 -2.208 8.019 1.00 0.00 C ATOM 124 O GLU A 11 -2.165 -2.735 8.173 1.00 0.00 O ATOM 125 CB GLU A 11 -0.258 -0.314 9.442 1.00 0.00 C ATOM 126 CG GLU A 11 -1.074 -0.738 10.652 1.00 0.00 C ATOM 127 CD GLU A 11 -1.240 -2.243 10.745 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.228 -2.961 10.601 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.381 -2.702 10.960 1.00 0.00 O ATOM 0 H GLU A 11 -2.998 -0.622 8.112 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.254 -0.367 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.730 -0.771 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.112 0.766 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.590 -0.373 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.057 -0.270 10.605 1.00 0.00 H new ATOM 136 N GLY A 12 0.042 -2.903 7.770 1.00 0.00 N ATOM 137 CA GLY A 12 0.002 -4.349 7.665 1.00 0.00 C ATOM 138 C GLY A 12 0.980 -4.884 6.639 1.00 0.00 C ATOM 139 O GLY A 12 1.373 -4.171 5.716 1.00 0.00 O ATOM 0 H GLY A 12 0.965 -2.489 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.225 -4.787 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.007 -4.663 7.398 1.00 0.00 H new ATOM 143 N TRP A 13 1.375 -6.142 6.800 1.00 0.00 N ATOM 144 CA TRP A 13 2.316 -6.771 5.879 1.00 0.00 C ATOM 145 C TRP A 13 1.652 -7.066 4.539 1.00 0.00 C ATOM 146 O TRP A 13 0.691 -7.832 4.467 1.00 0.00 O ATOM 147 CB TRP A 13 2.866 -8.063 6.485 1.00 0.00 C ATOM 148 CG TRP A 13 3.698 -7.837 7.711 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.245 -7.648 8.985 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.127 -7.776 7.778 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.307 -7.472 9.840 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.472 -7.547 9.124 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.149 -7.893 6.831 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.794 -7.433 9.544 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.461 -7.779 7.250 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.774 -7.552 8.597 1.00 0.00 C ATOM 0 H TRP A 13 1.059 -6.746 7.559 1.00 0.00 H new ATOM 0 HA TRP A 13 3.139 -6.077 5.710 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.034 -8.721 6.735 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.467 -8.580 5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.206 -7.638 9.278 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.238 -7.312 10.845 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.917 -8.069 5.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.038 -7.257 10.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.259 -7.866 6.527 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.809 -7.469 8.893 1.00 0.00 H new ATOM 167 N MET A 14 2.169 -6.453 3.479 1.00 0.00 N ATOM 168 CA MET A 14 1.626 -6.652 2.141 1.00 0.00 C ATOM 169 C MET A 14 2.712 -7.117 1.177 1.00 0.00 C ATOM 170 O MET A 14 3.900 -6.889 1.407 1.00 0.00 O ATOM 171 CB MET A 14 0.992 -5.357 1.627 1.00 0.00 C ATOM 172 CG MET A 14 0.404 -5.481 0.231 1.00 0.00 C ATOM 173 SD MET A 14 -0.985 -6.629 0.161 1.00 0.00 S ATOM 174 CE MET A 14 -2.205 -5.743 1.129 1.00 0.00 C ATOM 0 H MET A 14 2.963 -5.814 3.521 1.00 0.00 H new ATOM 0 HA MET A 14 0.860 -7.426 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.207 -5.048 2.317 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.745 -4.569 1.627 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.076 -4.499 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.180 -5.814 -0.458 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.196 -6.146 0.922 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.981 -5.857 2.190 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.181 -4.686 0.865 1.00 0.00 H new ATOM 184 N VAL A 15 2.298 -7.771 0.096 1.00 0.00 N ATOM 185 CA VAL A 15 3.236 -8.268 -0.903 1.00 0.00 C ATOM 186 C VAL A 15 3.000 -7.606 -2.256 1.00 0.00 C ATOM 187 O VAL A 15 1.863 -7.313 -2.626 1.00 0.00 O ATOM 188 CB VAL A 15 3.126 -9.796 -1.066 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.394 -10.495 0.258 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.757 -10.176 -1.611 1.00 0.00 C ATOM 0 H VAL A 15 1.319 -7.969 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 15 4.236 -8.019 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 15 3.881 -10.123 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.312 -11.574 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.398 -10.248 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.665 -10.165 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.697 -11.259 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.984 -9.837 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.609 -9.705 -2.583 1.00 0.00 H new ATOM 200 N HIS A 16 4.083 -7.371 -2.991 1.00 0.00 N ATOM 201 CA HIS A 16 3.994 -6.744 -4.304 1.00 0.00 C ATOM 202 C HIS A 16 5.173 -7.152 -5.182 1.00 0.00 C ATOM 203 O HIS A 16 6.139 -7.748 -4.704 1.00 0.00 O ATOM 204 CB HIS A 16 3.951 -5.222 -4.164 1.00 0.00 C ATOM 205 CG HIS A 16 5.306 -4.586 -4.122 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.221 -4.828 -3.119 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.901 -3.712 -4.968 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.319 -4.131 -3.349 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.150 -3.445 -4.465 1.00 0.00 N ATOM 0 H HIS A 16 5.032 -7.606 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 16 3.074 -7.084 -4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.388 -4.804 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.409 -4.964 -3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.473 -3.301 -5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.204 -4.123 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.836 -2.818 -4.885 1.00 0.00 H new ATOM 218 N TYR A 17 5.087 -6.829 -6.468 1.00 0.00 N ATOM 219 CA TYR A 17 6.145 -7.165 -7.413 1.00 0.00 C ATOM 220 C TYR A 17 6.165 -6.182 -8.580 1.00 0.00 C ATOM 221 O TYR A 17 5.120 -5.708 -9.027 1.00 0.00 O ATOM 222 CB TYR A 17 5.957 -8.590 -7.935 1.00 0.00 C ATOM 223 CG TYR A 17 4.774 -8.744 -8.865 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.909 -8.538 -10.232 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.523 -9.097 -8.375 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.831 -8.676 -11.085 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.439 -9.239 -9.221 1.00 0.00 C ATOM 228 CZ TYR A 17 2.598 -9.027 -10.574 1.00 0.00 C ATOM 229 OH TYR A 17 1.522 -9.168 -11.420 1.00 0.00 O ATOM 0 H TYR A 17 4.295 -6.335 -6.880 1.00 0.00 H new ATOM 0 HA TYR A 17 7.099 -7.100 -6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.862 -8.899 -8.458 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.833 -9.265 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.873 -8.265 -10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.395 -9.263 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.952 -8.510 -12.145 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.473 -9.514 -8.824 1.00 0.00 H new ATOM 0 HH TYR A 17 1.165 -8.284 -11.645 1.00 0.00 H new ATOM 239 N THR A 18 7.363 -5.882 -9.071 1.00 0.00 N ATOM 240 CA THR A 18 7.522 -4.956 -10.186 1.00 0.00 C ATOM 241 C THR A 18 7.335 -5.666 -11.522 1.00 0.00 C ATOM 242 O THR A 18 7.469 -6.887 -11.610 1.00 0.00 O ATOM 243 CB THR A 18 8.907 -4.283 -10.164 1.00 0.00 C ATOM 244 OG1 THR A 18 9.936 -5.279 -10.163 1.00 0.00 O ATOM 245 CG2 THR A 18 9.057 -3.391 -8.941 1.00 0.00 C ATOM 0 H THR A 18 8.238 -6.267 -8.714 1.00 0.00 H new ATOM 0 HA THR A 18 6.753 -4.192 -10.074 1.00 0.00 H new ATOM 0 HB THR A 18 9.000 -3.666 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.556 -6.143 -10.427 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.043 -2.927 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.291 -2.616 -8.960 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.944 -3.990 -8.038 1.00 0.00 H new ATOM 253 N SER A 19 7.026 -4.895 -12.559 1.00 0.00 N ATOM 254 CA SER A 19 6.818 -5.452 -13.890 1.00 0.00 C ATOM 255 C SER A 19 8.063 -6.191 -14.370 1.00 0.00 C ATOM 256 O SER A 19 8.000 -7.366 -14.731 1.00 0.00 O ATOM 257 CB SER A 19 6.457 -4.342 -14.880 1.00 0.00 C ATOM 258 OG SER A 19 6.070 -4.881 -16.132 1.00 0.00 O ATOM 0 H SER A 19 6.914 -3.883 -12.503 1.00 0.00 H new ATOM 0 HA SER A 19 5.993 -6.162 -13.835 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.645 -3.738 -14.474 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.311 -3.679 -15.015 1.00 0.00 H new ATOM 0 HG SER A 19 5.843 -4.152 -16.746 1.00 0.00 H new ATOM 264 N ARG A 20 9.195 -5.493 -14.372 1.00 0.00 N ATOM 265 CA ARG A 20 10.455 -6.082 -14.809 1.00 0.00 C ATOM 266 C ARG A 20 10.850 -7.250 -13.909 1.00 0.00 C ATOM 267 O ARG A 20 10.940 -8.392 -14.362 1.00 0.00 O ATOM 268 CB ARG A 20 11.563 -5.027 -14.808 1.00 0.00 C ATOM 269 CG ARG A 20 11.331 -3.900 -15.802 1.00 0.00 C ATOM 270 CD ARG A 20 12.627 -3.178 -16.137 1.00 0.00 C ATOM 271 NE ARG A 20 13.153 -2.439 -14.992 1.00 0.00 N ATOM 272 CZ ARG A 20 14.423 -2.065 -14.880 1.00 0.00 C ATOM 273 NH1 ARG A 20 15.291 -2.360 -15.837 1.00 0.00 N ATOM 274 NH2 ARG A 20 14.826 -1.395 -13.808 1.00 0.00 N ATOM 0 H ARG A 20 9.265 -4.519 -14.076 1.00 0.00 H new ATOM 0 HA ARG A 20 10.320 -6.456 -15.824 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.650 -4.605 -13.807 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.513 -5.510 -15.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.891 -4.303 -16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.614 -3.190 -15.389 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.369 -3.902 -16.473 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.455 -2.490 -16.965 1.00 0.00 H new ATOM 0 HE ARG A 20 12.511 -2.197 -14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.985 -2.875 -16.662 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.265 -2.072 -15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.161 -1.167 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.801 -1.108 -13.723 1.00 0.00 H new ATOM 288 N ASP A 21 11.084 -6.956 -12.635 1.00 0.00 N ATOM 289 CA ASP A 21 11.468 -7.981 -11.672 1.00 0.00 C ATOM 290 C ASP A 21 10.239 -8.573 -10.989 1.00 0.00 C ATOM 291 O ASP A 21 9.375 -7.844 -10.505 1.00 0.00 O ATOM 292 CB ASP A 21 12.418 -7.397 -10.625 1.00 0.00 C ATOM 293 CG ASP A 21 13.056 -8.467 -9.762 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.040 -9.088 -10.217 1.00 0.00 O ATOM 295 OD2 ASP A 21 12.573 -8.683 -8.631 1.00 0.00 O ATOM 0 H ASP A 21 11.014 -6.016 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 21 11.980 -8.778 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.199 -6.825 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.870 -6.701 -9.990 1.00 0.00 H new ATOM 300 N ASN A 22 10.169 -9.900 -10.954 1.00 0.00 N ATOM 301 CA ASN A 22 9.046 -10.590 -10.332 1.00 0.00 C ATOM 302 C ASN A 22 9.487 -11.316 -9.065 1.00 0.00 C ATOM 303 O ASN A 22 9.618 -12.541 -9.051 1.00 0.00 O ATOM 304 CB ASN A 22 8.425 -11.586 -11.313 1.00 0.00 C ATOM 305 CG ASN A 22 8.069 -10.945 -12.641 1.00 0.00 C ATOM 306 OD1 ASN A 22 7.830 -9.740 -12.716 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.034 -11.750 -13.696 1.00 0.00 N ATOM 0 H ASN A 22 10.877 -10.518 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 22 8.299 -9.844 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.122 -12.406 -11.484 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.528 -12.018 -10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.802 -11.375 -14.616 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.239 -12.743 -13.587 1.00 0.00 H new ATOM 314 N LEU A 23 9.716 -10.553 -8.002 1.00 0.00 N ATOM 315 CA LEU A 23 10.142 -11.123 -6.728 1.00 0.00 C ATOM 316 C LEU A 23 9.204 -10.702 -5.602 1.00 0.00 C ATOM 317 O LEU A 23 9.430 -9.691 -4.937 1.00 0.00 O ATOM 318 CB LEU A 23 11.572 -10.687 -6.405 1.00 0.00 C ATOM 319 CG LEU A 23 12.279 -11.469 -5.298 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.580 -12.888 -5.756 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.558 -10.760 -4.877 1.00 0.00 C ATOM 0 H LEU A 23 9.614 -9.538 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 23 10.110 -12.209 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.168 -10.764 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.555 -9.634 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 23 11.615 -11.520 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.083 -13.430 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.648 -13.395 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.225 -12.858 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.048 -11.331 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.227 -10.677 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.317 -9.763 -4.507 1.00 0.00 H new ATOM 333 N ARG A 24 8.151 -11.485 -5.392 1.00 0.00 N ATOM 334 CA ARG A 24 7.179 -11.194 -4.345 1.00 0.00 C ATOM 335 C ARG A 24 7.864 -10.609 -3.114 1.00 0.00 C ATOM 336 O ARG A 24 8.490 -11.331 -2.336 1.00 0.00 O ATOM 337 CB ARG A 24 6.415 -12.463 -3.962 1.00 0.00 C ATOM 338 CG ARG A 24 5.077 -12.191 -3.294 1.00 0.00 C ATOM 339 CD ARG A 24 4.232 -13.452 -3.204 1.00 0.00 C ATOM 340 NE ARG A 24 3.867 -13.962 -4.523 1.00 0.00 N ATOM 341 CZ ARG A 24 3.499 -15.218 -4.749 1.00 0.00 C ATOM 342 NH1 ARG A 24 3.446 -16.087 -3.749 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.181 -15.606 -5.977 1.00 0.00 N ATOM 0 H ARG A 24 7.949 -12.326 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 24 6.475 -10.457 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.249 -13.061 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.032 -13.060 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.243 -11.791 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.537 -11.429 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.782 -14.219 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.327 -13.242 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 24 3.896 -13.318 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.688 -15.792 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.163 -17.051 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.219 -14.940 -6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.898 -16.571 -6.150 1.00 0.00 H new ATOM 357 N LYS A 25 7.743 -9.297 -2.943 1.00 0.00 N ATOM 358 CA LYS A 25 8.349 -8.614 -1.807 1.00 0.00 C ATOM 359 C LYS A 25 7.309 -8.320 -0.730 1.00 0.00 C ATOM 360 O LYS A 25 6.355 -7.578 -0.963 1.00 0.00 O ATOM 361 CB LYS A 25 9.010 -7.311 -2.262 1.00 0.00 C ATOM 362 CG LYS A 25 10.135 -7.517 -3.262 1.00 0.00 C ATOM 363 CD LYS A 25 11.171 -6.410 -3.171 1.00 0.00 C ATOM 364 CE LYS A 25 12.269 -6.755 -2.177 1.00 0.00 C ATOM 365 NZ LYS A 25 13.443 -5.848 -2.310 1.00 0.00 N ATOM 0 H LYS A 25 7.230 -8.685 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 25 9.109 -9.271 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.253 -6.665 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.402 -6.788 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.613 -8.480 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.724 -7.550 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.609 -6.239 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.687 -5.481 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.874 -6.691 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.587 -7.786 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.169 -6.116 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.836 -5.927 -3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.145 -4.867 -2.138 1.00 0.00 H new ATOM 379 N ARG A 26 7.501 -8.904 0.448 1.00 0.00 N ATOM 380 CA ARG A 26 6.580 -8.704 1.559 1.00 0.00 C ATOM 381 C ARG A 26 7.197 -7.798 2.621 1.00 0.00 C ATOM 382 O ARG A 26 8.173 -8.167 3.276 1.00 0.00 O ATOM 383 CB ARG A 26 6.197 -10.048 2.181 1.00 0.00 C ATOM 384 CG ARG A 26 5.286 -9.923 3.391 1.00 0.00 C ATOM 385 CD ARG A 26 5.505 -11.063 4.374 1.00 0.00 C ATOM 386 NE ARG A 26 5.142 -12.356 3.801 1.00 0.00 N ATOM 387 CZ ARG A 26 3.894 -12.808 3.738 1.00 0.00 C ATOM 388 NH1 ARG A 26 2.896 -12.075 4.210 1.00 0.00 N ATOM 389 NH2 ARG A 26 3.644 -13.996 3.201 1.00 0.00 N ATOM 0 H ARG A 26 8.287 -9.520 0.657 1.00 0.00 H new ATOM 0 HA ARG A 26 5.683 -8.222 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.703 -10.660 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.105 -10.575 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.470 -8.971 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.246 -9.917 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.551 -11.083 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.914 -10.886 5.272 1.00 0.00 H new ATOM 0 HE ARG A 26 5.887 -12.945 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.085 -11.162 4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.939 -12.424 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.410 -14.562 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.686 -14.343 3.153 1.00 0.00 H new ATOM 403 N HIS A 27 6.622 -6.611 2.785 1.00 0.00 N ATOM 404 CA HIS A 27 7.116 -5.652 3.767 1.00 0.00 C ATOM 405 C HIS A 27 5.960 -5.017 4.535 1.00 0.00 C ATOM 406 O HIS A 27 4.809 -5.075 4.103 1.00 0.00 O ATOM 407 CB HIS A 27 7.944 -4.566 3.079 1.00 0.00 C ATOM 408 CG HIS A 27 8.976 -5.106 2.137 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.140 -4.637 0.851 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.901 -6.080 2.301 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.120 -5.300 0.264 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.599 -6.182 1.123 1.00 0.00 N ATOM 0 H HIS A 27 5.814 -6.290 2.251 1.00 0.00 H new ATOM 0 HA HIS A 27 7.749 -6.187 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.275 -3.903 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.439 -3.962 3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.061 -6.668 3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.470 -5.147 -0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.363 -6.833 0.941 1.00 0.00 H new ATOM 421 N TYR A 28 6.276 -4.413 5.675 1.00 0.00 N ATOM 422 CA TYR A 28 5.263 -3.771 6.505 1.00 0.00 C ATOM 423 C TYR A 28 4.718 -2.518 5.827 1.00 0.00 C ATOM 424 O TYR A 28 5.222 -1.415 6.037 1.00 0.00 O ATOM 425 CB TYR A 28 5.848 -3.411 7.872 1.00 0.00 C ATOM 426 CG TYR A 28 4.831 -2.839 8.834 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.751 -3.598 9.266 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.951 -1.539 9.310 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.819 -3.079 10.144 1.00 0.00 C ATOM 430 CE2 TYR A 28 4.024 -1.012 10.189 1.00 0.00 C ATOM 431 CZ TYR A 28 2.960 -1.786 10.603 1.00 0.00 C ATOM 432 OH TYR A 28 2.035 -1.266 11.479 1.00 0.00 O ATOM 0 H TYR A 28 7.225 -4.354 6.045 1.00 0.00 H new ATOM 0 HA TYR A 28 4.442 -4.475 6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.292 -4.303 8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.653 -2.688 7.735 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.638 -4.611 8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.783 -0.930 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.984 -3.683 10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.132 0.000 10.550 1.00 0.00 H new ATOM 0 HH TYR A 28 1.230 -1.824 11.474 1.00 0.00 H new ATOM 442 N TRP A 29 3.683 -2.697 5.013 1.00 0.00 N ATOM 443 CA TRP A 29 3.068 -1.582 4.303 1.00 0.00 C ATOM 444 C TRP A 29 2.296 -0.685 5.264 1.00 0.00 C ATOM 445 O TRP A 29 1.401 -1.145 5.974 1.00 0.00 O ATOM 446 CB TRP A 29 2.133 -2.101 3.208 1.00 0.00 C ATOM 447 CG TRP A 29 2.816 -2.295 1.888 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.028 -2.885 1.671 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.325 -1.896 0.603 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.321 -2.877 0.328 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.292 -2.276 -0.348 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.163 -1.256 0.164 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.130 -2.036 -1.710 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.004 -1.018 -1.188 1.00 0.00 C ATOM 455 CH2 TRP A 29 1.983 -1.408 -2.112 1.00 0.00 C ATOM 0 H TRP A 29 3.253 -3.603 4.829 1.00 0.00 H new ATOM 0 HA TRP A 29 3.862 -0.993 3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.701 -3.049 3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.307 -1.400 3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.663 -3.297 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.167 -3.257 -0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.403 -0.953 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.883 -2.335 -2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.110 -0.523 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.829 -1.209 -3.162 1.00 0.00 H new ATOM 466 N ARG A 30 2.647 0.597 5.282 1.00 0.00 N ATOM 467 CA ARG A 30 1.987 1.558 6.157 1.00 0.00 C ATOM 468 C ARG A 30 1.559 2.798 5.378 1.00 0.00 C ATOM 469 O ARG A 30 2.362 3.407 4.669 1.00 0.00 O ATOM 470 CB ARG A 30 2.917 1.958 7.304 1.00 0.00 C ATOM 471 CG ARG A 30 2.188 2.536 8.506 1.00 0.00 C ATOM 472 CD ARG A 30 2.950 2.276 9.796 1.00 0.00 C ATOM 473 NE ARG A 30 2.668 3.287 10.811 1.00 0.00 N ATOM 474 CZ ARG A 30 1.626 3.233 11.634 1.00 0.00 C ATOM 475 NH1 ARG A 30 0.772 2.221 11.561 1.00 0.00 N ATOM 476 NH2 ARG A 30 1.437 4.192 12.531 1.00 0.00 N ATOM 0 H ARG A 30 3.385 0.994 4.700 1.00 0.00 H new ATOM 0 HA ARG A 30 1.096 1.084 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.486 1.084 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.636 2.691 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.055 3.609 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.193 2.097 8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.685 1.291 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.020 2.260 9.588 1.00 0.00 H new ATOM 0 HE ARG A 30 3.306 4.079 10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.914 1.482 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.027 2.181 12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.092 4.972 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.637 4.149 13.162 1.00 0.00 H new ATOM 490 N LEU A 31 0.290 3.168 5.515 1.00 0.00 N ATOM 491 CA LEU A 31 -0.245 4.335 4.824 1.00 0.00 C ATOM 492 C LEU A 31 -0.711 5.392 5.820 1.00 0.00 C ATOM 493 O LEU A 31 -1.346 5.073 6.826 1.00 0.00 O ATOM 494 CB LEU A 31 -1.406 3.927 3.915 1.00 0.00 C ATOM 495 CG LEU A 31 -2.205 5.072 3.291 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.370 5.800 2.250 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.494 4.549 2.674 1.00 0.00 C ATOM 0 H LEU A 31 -0.387 2.676 6.098 1.00 0.00 H new ATOM 0 HA LEU A 31 0.552 4.762 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.011 3.306 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.091 3.305 4.491 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.464 5.780 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.955 6.611 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.476 6.209 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.079 5.103 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.050 5.378 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.257 3.820 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.100 4.074 3.446 1.00 0.00 H new ATOM 509 N ASP A 32 -0.394 6.649 5.533 1.00 0.00 N ATOM 510 CA ASP A 32 -0.783 7.754 6.403 1.00 0.00 C ATOM 511 C ASP A 32 -1.287 8.938 5.584 1.00 0.00 C ATOM 512 O ASP A 32 -1.161 8.958 4.360 1.00 0.00 O ATOM 513 CB ASP A 32 0.398 8.185 7.274 1.00 0.00 C ATOM 514 CG ASP A 32 1.150 7.004 7.856 1.00 0.00 C ATOM 515 OD1 ASP A 32 2.080 6.506 7.188 1.00 0.00 O ATOM 516 OD2 ASP A 32 0.808 6.578 8.979 1.00 0.00 O ATOM 0 H ASP A 32 0.131 6.929 4.705 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.592 7.410 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.082 8.790 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.036 8.817 8.085 1.00 0.00 H new ATOM 521 N SER A 33 -1.858 9.924 6.269 1.00 0.00 N ATOM 522 CA SER A 33 -2.385 11.110 5.604 1.00 0.00 C ATOM 523 C SER A 33 -1.282 11.846 4.850 1.00 0.00 C ATOM 524 O SER A 33 -1.552 12.732 4.039 1.00 0.00 O ATOM 525 CB SER A 33 -3.033 12.047 6.626 1.00 0.00 C ATOM 526 OG SER A 33 -2.075 12.538 7.547 1.00 0.00 O ATOM 0 H SER A 33 -1.967 9.925 7.283 1.00 0.00 H new ATOM 0 HA SER A 33 -3.139 10.789 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.507 12.882 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.820 11.517 7.163 1.00 0.00 H new ATOM 0 HG SER A 33 -2.514 13.135 8.188 1.00 0.00 H new ATOM 532 N LYS A 34 -0.037 11.473 5.124 1.00 0.00 N ATOM 533 CA LYS A 34 1.110 12.095 4.472 1.00 0.00 C ATOM 534 C LYS A 34 1.524 11.308 3.232 1.00 0.00 C ATOM 535 O LYS A 34 1.317 11.755 2.104 1.00 0.00 O ATOM 536 CB LYS A 34 2.287 12.190 5.446 1.00 0.00 C ATOM 537 CG LYS A 34 2.101 13.244 6.523 1.00 0.00 C ATOM 538 CD LYS A 34 1.418 12.670 7.753 1.00 0.00 C ATOM 539 CE LYS A 34 0.815 13.765 8.618 1.00 0.00 C ATOM 540 NZ LYS A 34 1.834 14.404 9.496 1.00 0.00 N ATOM 0 H LYS A 34 0.204 10.742 5.794 1.00 0.00 H new ATOM 0 HA LYS A 34 0.820 13.099 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.434 11.220 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.195 12.412 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.071 13.655 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.508 14.069 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.636 11.976 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.139 12.099 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.360 14.522 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.019 13.345 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.383 15.145 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.251 13.687 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.581 14.827 8.909 1.00 0.00 H new ATOM 554 N CYS A 35 2.107 10.134 3.450 1.00 0.00 N ATOM 555 CA CYS A 35 2.549 9.284 2.350 1.00 0.00 C ATOM 556 C CYS A 35 2.654 7.829 2.795 1.00 0.00 C ATOM 557 O CYS A 35 2.702 7.536 3.991 1.00 0.00 O ATOM 558 CB CYS A 35 3.899 9.766 1.817 1.00 0.00 C ATOM 559 SG CYS A 35 5.204 9.837 3.068 1.00 0.00 S ATOM 0 H CYS A 35 2.284 9.749 4.378 1.00 0.00 H new ATOM 0 HA CYS A 35 1.808 9.348 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.217 9.103 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.773 10.758 1.382 1.00 0.00 H new ATOM 0 HG CYS A 35 4.922 9.017 4.037 1.00 0.00 H new ATOM 565 N LEU A 36 2.687 6.921 1.826 1.00 0.00 N ATOM 566 CA LEU A 36 2.784 5.495 2.118 1.00 0.00 C ATOM 567 C LEU A 36 4.237 5.080 2.328 1.00 0.00 C ATOM 568 O LEU A 36 5.015 4.999 1.377 1.00 0.00 O ATOM 569 CB LEU A 36 2.168 4.679 0.980 1.00 0.00 C ATOM 570 CG LEU A 36 2.418 3.171 1.024 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.518 2.510 2.057 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.199 2.554 -0.350 1.00 0.00 C ATOM 0 H LEU A 36 2.648 7.146 0.832 1.00 0.00 H new ATOM 0 HA LEU A 36 2.233 5.299 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.091 4.849 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.552 5.063 0.035 1.00 0.00 H new ATOM 0 HG LEU A 36 3.455 3.002 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.710 1.437 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.724 2.931 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.474 2.688 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.381 1.481 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.173 2.733 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.886 3.006 -1.065 1.00 0.00 H new ATOM 584 N THR A 37 4.596 4.815 3.581 1.00 0.00 N ATOM 585 CA THR A 37 5.954 4.407 3.916 1.00 0.00 C ATOM 586 C THR A 37 6.071 2.889 3.984 1.00 0.00 C ATOM 587 O THR A 37 5.109 2.196 4.318 1.00 0.00 O ATOM 588 CB THR A 37 6.404 5.006 5.262 1.00 0.00 C ATOM 589 OG1 THR A 37 5.978 6.370 5.359 1.00 0.00 O ATOM 590 CG2 THR A 37 7.916 4.931 5.410 1.00 0.00 C ATOM 0 H THR A 37 3.965 4.876 4.380 1.00 0.00 H new ATOM 0 HA THR A 37 6.602 4.783 3.124 1.00 0.00 H new ATOM 0 HB THR A 37 5.947 4.425 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.267 6.743 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.210 5.360 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.235 3.890 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.389 5.490 4.602 1.00 0.00 H new ATOM 598 N LEU A 38 7.255 2.377 3.666 1.00 0.00 N ATOM 599 CA LEU A 38 7.499 0.939 3.691 1.00 0.00 C ATOM 600 C LEU A 38 8.578 0.587 4.710 1.00 0.00 C ATOM 601 O LEU A 38 9.529 1.343 4.908 1.00 0.00 O ATOM 602 CB LEU A 38 7.912 0.447 2.303 1.00 0.00 C ATOM 603 CG LEU A 38 6.771 0.141 1.332 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.132 1.430 0.837 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.276 -0.690 0.161 1.00 0.00 C ATOM 0 H LEU A 38 8.061 2.936 3.388 1.00 0.00 H new ATOM 0 HA LEU A 38 6.573 0.444 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.556 1.200 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.512 -0.455 2.423 1.00 0.00 H new ATOM 0 HG LEU A 38 6.013 -0.436 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.322 1.193 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.735 1.988 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.881 2.034 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.451 -0.898 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.053 -0.138 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.687 -1.629 0.532 1.00 0.00 H new ATOM 617 N PHE A 39 8.425 -0.566 5.352 1.00 0.00 N ATOM 618 CA PHE A 39 9.387 -1.019 6.350 1.00 0.00 C ATOM 619 C PHE A 39 9.666 -2.511 6.198 1.00 0.00 C ATOM 620 O PHE A 39 8.789 -3.343 6.431 1.00 0.00 O ATOM 621 CB PHE A 39 8.868 -0.726 7.759 1.00 0.00 C ATOM 622 CG PHE A 39 8.883 0.734 8.112 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.787 1.536 7.840 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.993 1.303 8.715 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.796 2.880 8.164 1.00 0.00 C ATOM 626 CE2 PHE A 39 10.008 2.646 9.041 1.00 0.00 C ATOM 627 CZ PHE A 39 8.909 3.436 8.764 1.00 0.00 C ATOM 0 H PHE A 39 7.644 -1.204 5.199 1.00 0.00 H new ATOM 0 HA PHE A 39 10.319 -0.476 6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.849 -1.103 7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.474 -1.273 8.482 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.915 1.106 7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.856 0.691 8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.934 3.494 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.879 3.078 9.512 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.920 4.486 9.016 1.00 0.00 H new ATOM 637 N GLN A 40 10.892 -2.841 5.806 1.00 0.00 N ATOM 638 CA GLN A 40 11.286 -4.233 5.622 1.00 0.00 C ATOM 639 C GLN A 40 10.883 -5.077 6.826 1.00 0.00 C ATOM 640 O GLN A 40 10.319 -6.160 6.677 1.00 0.00 O ATOM 641 CB GLN A 40 12.796 -4.332 5.397 1.00 0.00 C ATOM 642 CG GLN A 40 13.226 -5.619 4.711 1.00 0.00 C ATOM 643 CD GLN A 40 14.696 -5.619 4.339 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.562 -5.395 5.185 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.985 -5.872 3.068 1.00 0.00 N ATOM 0 H GLN A 40 11.629 -2.164 5.610 1.00 0.00 H new ATOM 0 HA GLN A 40 10.769 -4.617 4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.122 -3.483 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.304 -4.255 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.022 -6.463 5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.628 -5.764 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.235 -6.052 2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.957 -5.886 2.759 1.00 0.00 H new ATOM 654 N ASN A 41 11.177 -4.573 8.021 1.00 0.00 N ATOM 655 CA ASN A 41 10.846 -5.281 9.252 1.00 0.00 C ATOM 656 C ASN A 41 9.899 -4.455 10.117 1.00 0.00 C ATOM 657 O ASN A 41 9.587 -3.310 9.793 1.00 0.00 O ATOM 658 CB ASN A 41 12.119 -5.606 10.036 1.00 0.00 C ATOM 659 CG ASN A 41 11.961 -6.833 10.913 1.00 0.00 C ATOM 660 OD1 ASN A 41 11.037 -7.626 10.729 1.00 0.00 O ATOM 661 ND2 ASN A 41 12.864 -6.995 11.872 1.00 0.00 N ATOM 0 H ASN A 41 11.644 -3.677 8.162 1.00 0.00 H new ATOM 0 HA ASN A 41 10.345 -6.211 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.941 -5.765 9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.388 -4.751 10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.809 -7.802 12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.613 -6.312 11.988 1.00 0.00 H new ATOM 755 N TYR A 48 12.391 2.411 4.620 1.00 0.00 N ATOM 756 CA TYR A 48 12.940 1.719 3.461 1.00 0.00 C ATOM 757 C TYR A 48 12.577 2.445 2.170 1.00 0.00 C ATOM 758 O TYR A 48 13.451 2.850 1.403 1.00 0.00 O ATOM 759 CB TYR A 48 12.428 0.278 3.410 1.00 0.00 C ATOM 760 CG TYR A 48 12.563 -0.365 2.049 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.811 -0.702 1.539 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.443 -0.634 1.272 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.939 -1.290 0.295 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.562 -1.222 0.027 1.00 0.00 C ATOM 765 CZ TYR A 48 12.812 -1.548 -0.457 1.00 0.00 C ATOM 766 OH TYR A 48 12.934 -2.133 -1.696 1.00 0.00 O ATOM 0 HA TYR A 48 14.026 1.709 3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.975 -0.319 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.379 0.263 3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.696 -0.501 2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.463 -0.379 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.916 -1.546 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.681 -1.425 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 48 12.045 -2.247 -2.093 1.00 0.00 H new ATOM 776 N LYS A 49 11.279 2.608 1.936 1.00 0.00 N ATOM 777 CA LYS A 49 10.796 3.288 0.739 1.00 0.00 C ATOM 778 C LYS A 49 9.645 4.230 1.076 1.00 0.00 C ATOM 779 O LYS A 49 8.855 3.960 1.980 1.00 0.00 O ATOM 780 CB LYS A 49 10.343 2.265 -0.305 1.00 0.00 C ATOM 781 CG LYS A 49 10.448 2.768 -1.734 1.00 0.00 C ATOM 782 CD LYS A 49 11.762 2.355 -2.376 1.00 0.00 C ATOM 783 CE LYS A 49 12.826 3.428 -2.209 1.00 0.00 C ATOM 784 NZ LYS A 49 12.522 4.642 -3.017 1.00 0.00 N ATOM 0 H LYS A 49 10.542 2.278 2.560 1.00 0.00 H new ATOM 0 HA LYS A 49 11.616 3.877 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.944 1.362 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.309 1.985 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.617 2.376 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.362 3.855 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.110 1.424 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.604 2.160 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.903 3.702 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.795 3.028 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.398 5.177 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.112 4.358 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.843 5.240 -2.504 1.00 0.00 H new ATOM 798 N GLU A 50 9.556 5.335 0.342 1.00 0.00 N ATOM 799 CA GLU A 50 8.500 6.316 0.564 1.00 0.00 C ATOM 800 C GLU A 50 7.669 6.515 -0.700 1.00 0.00 C ATOM 801 O GLU A 50 8.209 6.760 -1.779 1.00 0.00 O ATOM 802 CB GLU A 50 9.100 7.651 1.009 1.00 0.00 C ATOM 803 CG GLU A 50 8.075 8.766 1.138 1.00 0.00 C ATOM 804 CD GLU A 50 8.712 10.118 1.390 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.284 10.692 0.440 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.638 10.603 2.539 1.00 0.00 O ATOM 0 H GLU A 50 10.202 5.573 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 50 7.847 5.939 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.598 7.514 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.865 7.953 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.479 8.814 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.391 8.533 1.954 1.00 0.00 H new ATOM 813 N ILE A 51 6.352 6.407 -0.558 1.00 0.00 N ATOM 814 CA ILE A 51 5.446 6.575 -1.687 1.00 0.00 C ATOM 815 C ILE A 51 4.383 7.627 -1.386 1.00 0.00 C ATOM 816 O ILE A 51 3.328 7.335 -0.822 1.00 0.00 O ATOM 817 CB ILE A 51 4.752 5.250 -2.055 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.791 4.196 -2.442 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.762 5.468 -3.189 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.204 2.817 -2.649 1.00 0.00 C ATOM 0 H ILE A 51 5.889 6.204 0.328 1.00 0.00 H new ATOM 0 HA ILE A 51 6.051 6.904 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 51 4.203 4.890 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.292 4.510 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.552 4.145 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.280 4.523 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.007 6.190 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.289 5.848 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.997 2.121 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.728 2.482 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.463 2.853 -3.448 1.00 0.00 H new ATOM 832 N PRO A 52 4.664 8.880 -1.774 1.00 0.00 N ATOM 833 CA PRO A 52 3.743 10.000 -1.559 1.00 0.00 C ATOM 834 C PRO A 52 2.498 9.904 -2.434 1.00 0.00 C ATOM 835 O PRO A 52 2.593 9.728 -3.650 1.00 0.00 O ATOM 836 CB PRO A 52 4.576 11.224 -1.947 1.00 0.00 C ATOM 837 CG PRO A 52 5.595 10.701 -2.901 1.00 0.00 C ATOM 838 CD PRO A 52 5.901 9.299 -2.453 1.00 0.00 C ATOM 0 HA PRO A 52 3.369 10.029 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.958 11.993 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.046 11.676 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.214 10.710 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.493 11.319 -2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.136 8.650 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.758 9.270 -1.780 1.00 0.00 H new ATOM 846 N LEU A 53 1.331 10.019 -1.810 1.00 0.00 N ATOM 847 CA LEU A 53 0.066 9.946 -2.533 1.00 0.00 C ATOM 848 C LEU A 53 0.201 10.546 -3.929 1.00 0.00 C ATOM 849 O LEU A 53 -0.403 10.061 -4.885 1.00 0.00 O ATOM 850 CB LEU A 53 -1.031 10.675 -1.756 1.00 0.00 C ATOM 851 CG LEU A 53 -1.208 10.260 -0.295 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.246 11.137 0.388 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.602 8.793 -0.201 1.00 0.00 C ATOM 0 H LEU A 53 1.234 10.163 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.206 8.895 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.821 11.744 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.978 10.522 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.256 10.394 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.358 10.826 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.923 12.177 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.202 11.037 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.724 8.515 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.542 8.634 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.823 8.178 -0.652 1.00 0.00 H new ATOM 865 N SER A 54 1.000 11.603 -4.038 1.00 0.00 N ATOM 866 CA SER A 54 1.213 12.271 -5.317 1.00 0.00 C ATOM 867 C SER A 54 1.751 11.293 -6.357 1.00 0.00 C ATOM 868 O SER A 54 1.165 11.123 -7.426 1.00 0.00 O ATOM 869 CB SER A 54 2.184 13.441 -5.150 1.00 0.00 C ATOM 870 OG SER A 54 1.930 14.456 -6.105 1.00 0.00 O ATOM 0 H SER A 54 1.510 12.015 -3.257 1.00 0.00 H new ATOM 0 HA SER A 54 0.253 12.652 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.093 13.852 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.209 13.085 -5.257 1.00 0.00 H new ATOM 0 HG SER A 54 2.563 15.193 -5.975 1.00 0.00 H new ATOM 876 N GLU A 55 2.871 10.653 -6.035 1.00 0.00 N ATOM 877 CA GLU A 55 3.490 9.693 -6.942 1.00 0.00 C ATOM 878 C GLU A 55 2.429 8.878 -7.677 1.00 0.00 C ATOM 879 O GLU A 55 2.360 8.896 -8.906 1.00 0.00 O ATOM 880 CB GLU A 55 4.423 8.758 -6.171 1.00 0.00 C ATOM 881 CG GLU A 55 5.596 8.253 -6.994 1.00 0.00 C ATOM 882 CD GLU A 55 6.452 7.255 -6.240 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.883 6.411 -5.517 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.692 7.317 -6.374 1.00 0.00 O ATOM 0 H GLU A 55 3.368 10.782 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 55 4.071 10.249 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.804 9.281 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.850 7.904 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.221 7.788 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.213 9.099 -7.297 1.00 0.00 H new ATOM 891 N ILE A 56 1.606 8.165 -6.915 1.00 0.00 N ATOM 892 CA ILE A 56 0.550 7.344 -7.494 1.00 0.00 C ATOM 893 C ILE A 56 -0.289 8.146 -8.483 1.00 0.00 C ATOM 894 O ILE A 56 -0.890 9.160 -8.126 1.00 0.00 O ATOM 895 CB ILE A 56 -0.374 6.766 -6.405 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.443 5.978 -5.379 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.442 5.883 -7.031 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.938 6.821 -4.224 1.00 0.00 C ATOM 0 H ILE A 56 1.650 8.139 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 56 1.039 6.523 -8.018 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.868 7.591 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.167 5.164 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.298 5.524 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.087 5.482 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.039 6.472 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.967 5.061 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.509 6.197 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.575 7.620 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.087 7.254 -3.699 1.00 0.00 H new ATOM 910 N LEU A 57 -0.328 7.684 -9.728 1.00 0.00 N ATOM 911 CA LEU A 57 -1.096 8.356 -10.770 1.00 0.00 C ATOM 912 C LEU A 57 -2.547 7.888 -10.765 1.00 0.00 C ATOM 913 O LEU A 57 -3.469 8.692 -10.627 1.00 0.00 O ATOM 914 CB LEU A 57 -0.468 8.096 -12.141 1.00 0.00 C ATOM 915 CG LEU A 57 0.857 8.807 -12.419 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.500 8.261 -13.684 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.643 10.309 -12.532 1.00 0.00 C ATOM 0 H LEU A 57 0.163 6.847 -10.040 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.079 9.427 -10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.311 7.023 -12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.184 8.392 -12.908 1.00 0.00 H new ATOM 0 HG LEU A 57 1.531 8.619 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.442 8.779 -13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.689 7.194 -13.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.830 8.418 -14.530 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.597 10.799 -12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.048 10.518 -13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.227 10.689 -11.599 1.00 0.00 H new ATOM 929 N ARG A 58 -2.743 6.582 -10.916 1.00 0.00 N ATOM 930 CA ARG A 58 -4.082 6.006 -10.928 1.00 0.00 C ATOM 931 C ARG A 58 -4.021 4.486 -10.806 1.00 0.00 C ATOM 932 O ARG A 58 -2.949 3.889 -10.896 1.00 0.00 O ATOM 933 CB ARG A 58 -4.817 6.396 -12.212 1.00 0.00 C ATOM 934 CG ARG A 58 -6.320 6.181 -12.143 1.00 0.00 C ATOM 935 CD ARG A 58 -7.061 7.124 -13.077 1.00 0.00 C ATOM 936 NE ARG A 58 -6.788 6.830 -14.482 1.00 0.00 N ATOM 937 CZ ARG A 58 -7.372 5.843 -15.152 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.257 5.060 -14.550 1.00 0.00 N ATOM 939 NH2 ARG A 58 -7.071 5.638 -16.428 1.00 0.00 N ATOM 0 H ARG A 58 -1.991 5.903 -11.032 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.628 6.401 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.618 7.445 -12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.413 5.816 -13.042 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.553 5.149 -12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.664 6.335 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.133 7.049 -12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.771 8.152 -12.859 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.113 7.414 -14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.491 5.215 -13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.704 4.303 -15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.391 6.238 -16.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.520 4.880 -16.942 1.00 0.00 H new ATOM 953 N ILE A 59 -5.179 3.868 -10.600 1.00 0.00 N ATOM 954 CA ILE A 59 -5.258 2.418 -10.466 1.00 0.00 C ATOM 955 C ILE A 59 -5.814 1.779 -11.733 1.00 0.00 C ATOM 956 O ILE A 59 -6.798 2.254 -12.300 1.00 0.00 O ATOM 957 CB ILE A 59 -6.137 2.010 -9.269 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.570 2.588 -7.971 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.240 0.495 -9.180 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.183 2.085 -7.641 1.00 0.00 C ATOM 0 H ILE A 59 -6.075 4.348 -10.522 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.242 2.061 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.138 2.415 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.545 3.675 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.242 2.342 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.864 0.222 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.685 0.106 -10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.245 0.070 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.845 2.536 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.206 1.001 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.497 2.355 -8.444 1.00 0.00 H new ATOM 972 N SER A 60 -5.179 0.696 -12.171 1.00 0.00 N ATOM 973 CA SER A 60 -5.609 -0.008 -13.373 1.00 0.00 C ATOM 974 C SER A 60 -6.374 -1.279 -13.014 1.00 0.00 C ATOM 975 O SER A 60 -6.232 -1.811 -11.913 1.00 0.00 O ATOM 976 CB SER A 60 -4.402 -0.356 -14.246 1.00 0.00 C ATOM 977 OG SER A 60 -4.810 -0.915 -15.483 1.00 0.00 O ATOM 0 H SER A 60 -4.365 0.287 -11.711 1.00 0.00 H new ATOM 0 HA SER A 60 -6.274 0.651 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.810 0.541 -14.427 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.760 -1.062 -13.719 1.00 0.00 H new ATOM 0 HG SER A 60 -4.020 -1.127 -16.023 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.154 -10.804 -8.481 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.211 -9.475 -7.883 1.00 0.00 C ATOM 1187 C HIS A 75 -4.609 -8.879 -8.013 1.00 0.00 C ATOM 1188 O HIS A 75 -5.369 -9.246 -8.910 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.186 -8.552 -8.543 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.506 -8.225 -9.969 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.323 -9.117 -11.004 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.001 -7.097 -10.529 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.690 -8.551 -12.140 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.106 -7.325 -11.879 1.00 0.00 N ATOM 0 HA HIS A 75 -2.974 -9.570 -6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.122 -7.626 -7.972 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.204 -9.022 -8.498 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.264 -6.187 -10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.656 -9.012 -13.116 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.449 -6.656 -12.568 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.941 -7.960 -7.113 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.249 -7.315 -7.127 1.00 0.00 C ATOM 1205 C CYS A 76 -6.183 -5.969 -7.841 1.00 0.00 C ATOM 1206 O CYS A 76 -7.067 -5.627 -8.627 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.762 -7.124 -5.699 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.492 -6.608 -5.598 1.00 0.00 S ATOM 0 H CYS A 76 -4.323 -7.645 -6.365 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.940 -7.961 -7.670 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.641 -8.059 -5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.142 -6.380 -5.198 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.555 -5.311 -5.528 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.131 -5.207 -7.560 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.951 -3.896 -8.173 1.00 0.00 C ATOM 1216 C PHE A 77 -3.496 -3.680 -8.578 1.00 0.00 C ATOM 1217 O PHE A 77 -2.644 -4.537 -8.348 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.393 -2.793 -7.209 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.563 -2.723 -5.959 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.769 -3.620 -4.923 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.578 -1.758 -5.819 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.006 -3.558 -3.772 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.812 -1.692 -4.670 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.028 -2.592 -3.645 1.00 0.00 C ATOM 0 H PHE A 77 -4.390 -5.475 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.569 -3.854 -9.070 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.345 -1.832 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.435 -2.957 -6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.534 -4.376 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.407 -1.050 -6.616 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.175 -4.265 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.045 -0.937 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.433 -2.540 -2.745 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.221 -2.529 -9.184 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.870 -2.201 -9.623 1.00 0.00 C ATOM 1236 C GLU A 78 -1.577 -0.717 -9.421 1.00 0.00 C ATOM 1237 O GLU A 78 -2.307 0.143 -9.914 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.683 -2.574 -11.095 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.052 -4.013 -11.410 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.466 -4.206 -12.856 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -3.180 -3.332 -13.391 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.076 -5.232 -13.453 1.00 0.00 O ATOM 0 H GLU A 78 -3.916 -1.809 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.170 -2.777 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.290 -1.909 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.643 -2.405 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.202 -4.659 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.867 -4.326 -10.758 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.505 -0.426 -8.692 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.115 0.953 -8.425 1.00 0.00 C ATOM 1251 C ILE A 79 0.813 1.483 -9.513 1.00 0.00 C ATOM 1252 O ILE A 79 2.008 1.186 -9.522 1.00 0.00 O ATOM 1253 CB ILE A 79 0.585 1.086 -7.060 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.294 0.499 -5.953 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.908 2.544 -6.770 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.408 0.393 -4.617 1.00 0.00 C ATOM 0 H ILE A 79 0.109 -1.126 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.031 1.543 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 79 1.520 0.527 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.183 1.119 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.633 -0.492 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.402 2.621 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.567 2.932 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.014 3.125 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.274 -0.031 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.282 -0.251 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.723 1.385 -4.292 1.00 0.00 H new ATOM 1268 N ILE A 80 0.255 2.268 -10.428 1.00 0.00 N ATOM 1269 CA ILE A 80 1.034 2.842 -11.519 1.00 0.00 C ATOM 1270 C ILE A 80 1.637 4.183 -11.117 1.00 0.00 C ATOM 1271 O ILE A 80 0.939 5.195 -11.047 1.00 0.00 O ATOM 1272 CB ILE A 80 0.175 3.035 -12.782 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.400 1.695 -13.245 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.998 3.676 -13.890 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.751 1.376 -12.644 1.00 0.00 C ATOM 0 H ILE A 80 -0.733 2.521 -10.436 1.00 0.00 H new ATOM 0 HA ILE A 80 1.836 2.138 -11.740 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.654 3.700 -12.541 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.488 1.703 -14.331 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.300 0.900 -12.987 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.377 3.806 -14.776 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.362 4.648 -13.557 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.845 3.034 -14.132 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.097 0.412 -13.017 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.666 1.336 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.465 2.150 -12.923 1.00 0.00 H new ATOM 1287 N THR A 81 2.941 4.185 -10.856 1.00 0.00 N ATOM 1288 CA THR A 81 3.640 5.402 -10.462 1.00 0.00 C ATOM 1289 C THR A 81 4.489 5.943 -11.607 1.00 0.00 C ATOM 1290 O THR A 81 4.598 5.317 -12.661 1.00 0.00 O ATOM 1291 CB THR A 81 4.542 5.161 -9.237 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.564 4.211 -9.561 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.727 4.654 -8.057 1.00 0.00 C ATOM 0 H THR A 81 3.534 3.357 -10.910 1.00 0.00 H new ATOM 0 HA THR A 81 2.876 6.135 -10.202 1.00 0.00 H new ATOM 0 HB THR A 81 5.003 6.109 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.151 3.386 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.385 4.491 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.969 5.392 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.242 3.715 -8.326 1.00 0.00 H new ATOM 1301 N ASP A 82 5.090 7.108 -11.392 1.00 0.00 N ATOM 1302 CA ASP A 82 5.933 7.732 -12.405 1.00 0.00 C ATOM 1303 C ASP A 82 7.205 6.921 -12.629 1.00 0.00 C ATOM 1304 O ASP A 82 7.666 6.767 -13.761 1.00 0.00 O ATOM 1305 CB ASP A 82 6.290 9.161 -11.993 1.00 0.00 C ATOM 1306 CG ASP A 82 7.226 9.202 -10.801 1.00 0.00 C ATOM 1307 OD1 ASP A 82 6.764 8.925 -9.674 1.00 0.00 O ATOM 1308 OD2 ASP A 82 8.420 9.511 -10.994 1.00 0.00 O ATOM 0 H ASP A 82 5.009 7.639 -10.525 1.00 0.00 H new ATOM 0 HA ASP A 82 5.373 7.761 -13.340 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.756 9.673 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.377 9.706 -11.754 1.00 0.00 H new ATOM 1313 N THR A 83 7.770 6.404 -11.543 1.00 0.00 N ATOM 1314 CA THR A 83 8.990 5.610 -11.620 1.00 0.00 C ATOM 1315 C THR A 83 8.751 4.306 -12.371 1.00 0.00 C ATOM 1316 O THR A 83 9.277 4.103 -13.465 1.00 0.00 O ATOM 1317 CB THR A 83 9.541 5.288 -10.218 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.576 4.537 -9.473 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.886 6.565 -9.466 1.00 0.00 C ATOM 0 H THR A 83 7.402 6.521 -10.599 1.00 0.00 H new ATOM 0 HA THR A 83 9.722 6.209 -12.161 1.00 0.00 H new ATOM 0 HB THR A 83 10.449 4.697 -10.336 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.567 4.847 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.273 6.313 -8.479 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.642 7.121 -10.021 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.991 7.177 -9.359 1.00 0.00 H new ATOM 1327 N MET A 84 7.954 3.424 -11.777 1.00 0.00 N ATOM 1328 CA MET A 84 7.644 2.138 -12.393 1.00 0.00 C ATOM 1329 C MET A 84 6.280 1.631 -11.934 1.00 0.00 C ATOM 1330 O MET A 84 5.680 2.182 -11.012 1.00 0.00 O ATOM 1331 CB MET A 84 8.725 1.111 -12.051 1.00 0.00 C ATOM 1332 CG MET A 84 9.858 1.062 -13.063 1.00 0.00 C ATOM 1333 SD MET A 84 11.087 -0.197 -12.669 1.00 0.00 S ATOM 1334 CE MET A 84 10.121 -1.690 -12.874 1.00 0.00 C ATOM 0 H MET A 84 7.511 3.576 -10.871 1.00 0.00 H new ATOM 0 HA MET A 84 7.615 2.278 -13.474 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.136 1.342 -11.068 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.268 0.124 -11.981 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.447 0.866 -14.053 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.343 2.037 -13.107 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.775 -2.559 -12.804 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.363 -1.743 -12.093 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.636 -1.678 -13.850 1.00 0.00 H new ATOM 1344 N VAL A 85 5.797 0.576 -12.584 1.00 0.00 N ATOM 1345 CA VAL A 85 4.505 -0.006 -12.242 1.00 0.00 C ATOM 1346 C VAL A 85 4.654 -1.087 -11.177 1.00 0.00 C ATOM 1347 O VAL A 85 5.550 -1.928 -11.252 1.00 0.00 O ATOM 1348 CB VAL A 85 3.817 -0.611 -13.480 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.460 -1.189 -13.107 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.678 0.434 -14.576 1.00 0.00 C ATOM 0 H VAL A 85 6.281 0.108 -13.350 1.00 0.00 H new ATOM 0 HA VAL A 85 3.887 0.802 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 85 4.438 -1.422 -13.860 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.988 -1.612 -13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.591 -1.970 -12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.827 -0.400 -12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.190 -0.011 -15.443 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.079 1.268 -14.210 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.666 0.795 -14.862 1.00 0.00 H new ATOM 1360 N TYR A 86 3.770 -1.059 -10.186 1.00 0.00 N ATOM 1361 CA TYR A 86 3.803 -2.036 -9.104 1.00 0.00 C ATOM 1362 C TYR A 86 2.501 -2.828 -9.044 1.00 0.00 C ATOM 1363 O TYR A 86 1.427 -2.302 -9.337 1.00 0.00 O ATOM 1364 CB TYR A 86 4.051 -1.338 -7.766 1.00 0.00 C ATOM 1365 CG TYR A 86 5.199 -0.355 -7.799 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.423 -0.705 -8.356 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.061 0.924 -7.274 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.476 0.189 -8.388 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.107 1.825 -7.303 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.313 1.453 -7.861 1.00 0.00 C ATOM 1371 OH TYR A 86 8.358 2.348 -7.890 1.00 0.00 O ATOM 0 H TYR A 86 3.022 -0.370 -10.109 1.00 0.00 H new ATOM 0 HA TYR A 86 4.620 -2.730 -9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.144 -0.814 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.251 -2.092 -7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.554 -1.693 -8.771 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.119 1.219 -6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.421 -0.100 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.982 2.816 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 86 8.190 3.025 -8.579 1.00 0.00 H new ATOM 1381 N PHE A 87 2.604 -4.096 -8.661 1.00 0.00 N ATOM 1382 CA PHE A 87 1.435 -4.962 -8.562 1.00 0.00 C ATOM 1383 C PHE A 87 1.279 -5.505 -7.144 1.00 0.00 C ATOM 1384 O PHE A 87 2.108 -6.282 -6.670 1.00 0.00 O ATOM 1385 CB PHE A 87 1.547 -6.122 -9.554 1.00 0.00 C ATOM 1386 CG PHE A 87 1.719 -5.677 -10.979 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.866 -5.010 -11.377 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.732 -5.926 -11.920 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.026 -4.599 -12.687 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.886 -5.518 -13.231 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.035 -4.854 -13.615 1.00 0.00 C ATOM 0 H PHE A 87 3.485 -4.547 -8.414 1.00 0.00 H new ATOM 0 HA PHE A 87 0.553 -4.369 -8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.393 -6.750 -9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.653 -6.741 -9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.644 -4.809 -10.656 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.168 -6.445 -11.625 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.925 -4.079 -12.985 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.109 -5.718 -13.954 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.158 -4.535 -14.639 1.00 0.00 H new ATOM 1401 N VAL A 88 0.210 -5.090 -6.473 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.057 -5.534 -5.110 1.00 0.00 C ATOM 1403 C VAL A 88 -1.340 -6.355 -5.040 1.00 0.00 C ATOM 1404 O VAL A 88 -2.318 -6.056 -5.723 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.171 -4.340 -4.143 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.360 -4.826 -2.714 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.055 -3.446 -4.254 1.00 0.00 C ATOM 0 H VAL A 88 -0.486 -4.447 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 88 0.786 -6.157 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.047 -3.753 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.438 -3.969 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.271 -5.421 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.494 -5.437 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.958 -2.608 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.947 -4.020 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.139 -3.069 -5.273 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.328 -7.392 -4.208 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.496 -8.241 -4.064 1.00 0.00 C ATOM 1419 C GLY A 89 -2.154 -9.715 -4.141 1.00 0.00 C ATOM 1420 O GLY A 89 -1.589 -10.176 -5.132 1.00 0.00 O ATOM 0 H GLY A 89 -0.530 -7.659 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.977 -8.032 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.217 -7.997 -4.844 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.498 -10.457 -3.092 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.221 -11.888 -3.045 1.00 0.00 C ATOM 1426 C GLU A 90 -3.453 -12.665 -2.591 1.00 0.00 C ATOM 1427 O GLU A 90 -3.735 -12.760 -1.398 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.049 -12.172 -2.104 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.830 -13.652 -1.835 1.00 0.00 C ATOM 1430 CD GLU A 90 0.286 -13.905 -0.840 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.349 -13.261 -0.963 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.096 -14.747 0.062 1.00 0.00 O ATOM 0 H GLU A 90 -2.968 -10.091 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.957 -12.215 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.140 -11.751 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.222 -11.661 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.754 -14.090 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.598 -14.157 -2.772 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.183 -13.220 -3.553 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.385 -13.989 -3.253 1.00 0.00 C ATOM 1441 C ASN A 91 -5.105 -15.487 -3.325 1.00 0.00 C ATOM 1442 O ASN A 91 -4.887 -16.037 -4.403 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.507 -13.622 -4.227 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.794 -12.133 -4.242 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.511 -11.425 -3.276 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.361 -11.651 -5.342 1.00 0.00 N ATOM 0 H ASN A 91 -3.963 -13.152 -4.547 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.698 -13.744 -2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.234 -13.947 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.414 -14.161 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.579 -10.657 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.578 -12.275 -6.119 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.634 -12.740 1.677 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.076 -12.759 1.523 1.00 0.00 C ATOM 1648 C GLY A 107 -6.584 -11.609 0.676 1.00 0.00 C ATOM 1649 O GLY A 107 -5.911 -10.587 0.536 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.377 -13.702 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.544 -12.716 2.507 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.773 -11.775 0.108 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.371 -10.742 -0.732 1.00 0.00 C ATOM 1655 C LEU A 108 -9.023 -9.658 0.119 1.00 0.00 C ATOM 1656 O LEU A 108 -8.805 -8.466 -0.102 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.406 -11.360 -1.674 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.337 -10.376 -2.386 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.625 -9.724 -3.561 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.603 -11.081 -2.850 1.00 0.00 C ATOM 0 H LEU A 108 -8.342 -12.615 0.213 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.578 -10.284 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.879 -11.942 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.017 -12.059 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.619 -9.595 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.302 -9.027 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.749 -9.185 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.313 -10.492 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.253 -10.366 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.341 -11.883 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.123 -11.500 -1.988 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.822 -10.078 1.093 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.504 -9.143 1.980 1.00 0.00 C ATOM 1674 C ASP A 109 -9.586 -7.984 2.357 1.00 0.00 C ATOM 1675 O ASP A 109 -9.913 -6.820 2.127 1.00 0.00 O ATOM 1676 CB ASP A 109 -10.983 -9.861 3.243 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.623 -8.915 4.240 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.711 -8.382 3.937 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.035 -8.707 5.322 1.00 0.00 O ATOM 0 H ASP A 109 -10.014 -11.061 1.289 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.368 -8.742 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.701 -10.634 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.138 -10.364 3.714 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.436 -8.311 2.938 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.470 -7.298 3.346 1.00 0.00 C ATOM 1686 C VAL A 110 -7.064 -6.419 2.169 1.00 0.00 C ATOM 1687 O VAL A 110 -6.985 -5.197 2.291 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.208 -7.938 3.954 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.549 -8.875 2.954 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.234 -6.863 4.412 1.00 0.00 C ATOM 0 H VAL A 110 -8.151 -9.270 3.137 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.957 -6.684 4.103 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.503 -8.524 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.659 -9.318 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.248 -9.665 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.266 -8.315 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.348 -7.333 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.944 -6.248 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.711 -6.237 5.166 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.807 -7.050 1.028 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.412 -6.326 -0.174 1.00 0.00 C ATOM 1702 C ALA A 111 -7.465 -5.296 -0.566 1.00 0.00 C ATOM 1703 O ALA A 111 -7.149 -4.129 -0.798 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.168 -7.297 -1.320 1.00 0.00 C ATOM 0 H ALA A 111 -6.865 -8.062 0.911 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.485 -5.795 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.874 -6.742 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.373 -7.991 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.082 -7.855 -1.525 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.718 -5.735 -0.638 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.817 -4.850 -1.003 1.00 0.00 C ATOM 1712 C GLN A 112 -9.799 -3.580 -0.158 1.00 0.00 C ATOM 1713 O GLN A 112 -9.939 -2.474 -0.679 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.157 -5.569 -0.834 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.267 -6.849 -1.648 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.541 -7.618 -1.357 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -12.762 -8.072 -0.234 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.387 -7.767 -2.369 1.00 0.00 N ATOM 0 H GLN A 112 -8.997 -6.698 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.691 -4.570 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.303 -5.805 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.962 -4.893 -1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.229 -6.604 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.407 -7.485 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.163 -7.374 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.261 -8.275 -2.232 1.00 0.00 H new ATOM 1727 N SER A 113 -9.625 -3.748 1.149 1.00 0.00 N ATOM 1728 CA SER A 113 -9.592 -2.616 2.067 1.00 0.00 C ATOM 1729 C SER A 113 -8.453 -1.663 1.715 1.00 0.00 C ATOM 1730 O SER A 113 -8.626 -0.444 1.719 1.00 0.00 O ATOM 1731 CB SER A 113 -9.434 -3.105 3.508 1.00 0.00 C ATOM 1732 OG SER A 113 -10.492 -3.977 3.869 1.00 0.00 O ATOM 0 H SER A 113 -9.505 -4.657 1.596 1.00 0.00 H new ATOM 0 HA SER A 113 -10.535 -2.078 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.480 -3.620 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.415 -2.251 4.185 1.00 0.00 H new ATOM 0 HG SER A 113 -10.367 -4.277 4.794 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.291 -2.229 1.410 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.123 -1.430 1.054 1.00 0.00 C ATOM 1740 C TRP A 114 -6.349 -0.690 -0.259 1.00 0.00 C ATOM 1741 O TRP A 114 -6.247 0.535 -0.316 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.885 -2.322 0.945 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.138 -2.462 2.237 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.412 -3.335 3.251 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.997 -1.705 2.654 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.509 -3.166 4.273 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.630 -2.172 3.931 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.247 -0.679 2.072 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.548 -1.647 4.633 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.174 -0.159 2.770 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.832 -0.644 4.039 1.00 0.00 C ATOM 0 H TRP A 114 -7.132 -3.236 1.402 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.964 -0.693 1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.188 -3.311 0.600 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.216 -1.911 0.189 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.219 -4.052 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.495 -3.695 5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.502 -0.299 1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.283 -2.019 5.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.589 0.635 2.330 1.00 0.00 H new ATOM 0 HH2 TRP A 114 0.013 -0.218 4.559 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.656 -1.441 -1.312 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.896 -0.853 -2.625 1.00 0.00 C ATOM 1764 C GLU A 115 -7.643 0.471 -2.500 1.00 0.00 C ATOM 1765 O GLU A 115 -7.259 1.473 -3.104 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.693 -1.820 -3.503 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.198 -1.196 -4.793 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.894 -2.198 -5.693 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -8.786 -3.412 -5.423 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.547 -1.768 -6.667 1.00 0.00 O ATOM 0 H GLU A 115 -6.744 -2.457 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.930 -0.662 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.066 -2.678 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.543 -2.197 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.888 -0.387 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.360 -0.752 -5.330 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.713 0.469 -1.712 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.515 1.669 -1.506 1.00 0.00 C ATOM 1779 C LYS A 116 -8.758 2.690 -0.663 1.00 0.00 C ATOM 1780 O LYS A 116 -8.491 3.804 -1.113 1.00 0.00 O ATOM 1781 CB LYS A 116 -10.839 1.312 -0.827 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.720 0.393 -1.657 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.186 0.544 -1.288 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.095 0.151 -2.442 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.529 0.404 -2.131 1.00 0.00 N ATOM 0 H LYS A 116 -9.045 -0.351 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.722 2.110 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.630 0.834 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.386 2.230 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.585 0.616 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.411 -0.642 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.409 -0.076 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.386 1.577 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.813 0.711 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.954 -0.905 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.115 0.123 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.806 -0.150 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.669 1.416 -1.937 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.415 2.303 0.561 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.687 3.184 1.465 1.00 0.00 C ATOM 1801 C ALA A 117 -6.637 3.996 0.713 1.00 0.00 C ATOM 1802 O ALA A 117 -6.562 5.216 0.858 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.035 2.376 2.578 1.00 0.00 C ATOM 0 H ALA A 117 -8.630 1.385 0.949 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.400 3.881 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.495 3.047 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.803 1.845 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.340 1.656 2.146 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.829 3.311 -0.088 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.784 3.969 -0.863 1.00 0.00 C ATOM 1811 C ILE A 118 -5.379 4.962 -1.855 1.00 0.00 C ATOM 1812 O ILE A 118 -4.899 6.088 -1.986 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.923 2.948 -1.629 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.300 1.943 -0.658 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.842 3.660 -2.429 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.637 0.770 -1.346 1.00 0.00 C ATOM 0 H ILE A 118 -5.877 2.300 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.153 4.503 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.563 2.404 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.563 2.456 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.074 1.570 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.242 2.925 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.306 4.340 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.202 4.227 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.217 0.099 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.375 0.233 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.840 1.132 -1.996 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.428 4.538 -2.552 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.089 5.390 -3.533 1.00 0.00 C ATOM 1830 C ARG A 119 -7.674 6.632 -2.868 1.00 0.00 C ATOM 1831 O ARG A 119 -7.243 7.753 -3.137 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.196 4.614 -4.251 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.547 5.178 -5.618 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.746 4.466 -6.223 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.245 5.149 -7.414 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.003 6.239 -7.373 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -11.349 6.766 -6.207 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -11.418 6.803 -8.500 1.00 0.00 N ATOM 0 H ARG A 119 -6.838 3.609 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.344 5.706 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.885 3.576 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.090 4.612 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.762 6.243 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.690 5.080 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.468 3.444 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.542 4.403 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.998 4.768 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.033 6.334 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.931 7.603 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.155 6.400 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.000 7.640 -8.467 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.658 6.424 -1.998 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.302 7.528 -1.296 1.00 0.00 C ATOM 1854 C GLN A 120 -8.278 8.577 -0.875 1.00 0.00 C ATOM 1855 O GLN A 120 -8.481 9.773 -1.079 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.052 7.010 -0.068 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.272 7.841 0.295 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.997 7.311 1.517 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.324 6.126 1.594 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.252 8.188 2.481 1.00 0.00 N ATOM 0 H GLN A 120 -9.026 5.502 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.013 7.994 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.364 5.982 -0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.370 6.990 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.964 8.871 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.959 7.859 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.963 9.160 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.737 7.889 3.327 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.177 8.120 -0.288 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.120 9.019 0.160 1.00 0.00 C ATOM 1871 C ALA A 121 -5.869 10.122 -0.862 1.00 0.00 C ATOM 1872 O ALA A 121 -5.745 11.295 -0.507 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.841 8.240 0.424 1.00 0.00 C ATOM 0 H ALA A 121 -6.993 7.132 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.445 9.487 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.061 8.924 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.023 7.493 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.521 7.744 -0.493 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.793 9.740 -2.132 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.555 10.697 -3.207 1.00 0.00 C ATOM 1881 C LEU A 122 -6.525 11.871 -3.115 1.00 0.00 C ATOM 1882 O LEU A 122 -6.143 13.022 -3.322 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.694 10.011 -4.567 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.778 8.811 -4.811 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.180 8.082 -6.083 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.324 9.257 -4.886 1.00 0.00 C ATOM 0 H LEU A 122 -5.893 8.774 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.540 11.079 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.727 9.683 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.506 10.750 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.883 8.121 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.517 7.231 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.207 7.729 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.105 8.762 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.686 8.390 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.203 9.967 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.041 9.733 -3.947 1.00 0.00 H new