USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 10 THR OG1 : rot 143:sc= 1.47 USER MOD Set 1.2: A 22 GLN : amide:sc= -1.4! C(o=0.69!,f=-1.1!) USER MOD Set 1.3: A 100 HIS : no HE2:sc= 0.62 K(o=0.69,f=-0.93) USER MOD Single : A 7 THR OG1 : rot 30:sc= 0.215 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.93) USER MOD Single : A 17 SER OG : rot 180:sc= 0.234 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 165:sc= 0.988 USER MOD Single : A 27 SER OG : rot 35:sc= 0.353 USER MOD Single : A 28 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.5) USER MOD Single : A 34 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-1.8) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.933! C(o=-0.93!,f=-5.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.1) USER MOD Single : A 70 THR OG1 : rot 117:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 133:sc= -2.68! USER MOD Single : A 73 ASN :FLIP amide:sc= -1.47 F(o=-2.1!,f=-1.5) USER MOD Single : A 74 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.78) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00366 USER MOD Single : A 99 MET CE :methyl 161:sc= -0.066 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.889 -9.228 1.177 1.00 63.12 N ATOM 63 CA THR A 7 -3.475 -8.235 2.099 1.00 22.41 C ATOM 64 C THR A 7 -3.886 -6.895 1.501 1.00 34.34 C ATOM 65 O THR A 7 -3.627 -6.634 0.314 1.00 72.23 O ATOM 66 CB THR A 7 -1.945 -8.276 2.280 1.00 73.10 C ATOM 67 OG1 THR A 7 -1.533 -9.626 2.553 1.00 23.52 O ATOM 68 CG2 THR A 7 -1.514 -7.375 3.434 1.00 45.32 C ATOM 0 HA THR A 7 -3.930 -8.395 3.076 1.00 22.41 H new ATOM 0 HB THR A 7 -1.476 -7.920 1.363 1.00 73.10 H new ATOM 0 HG1 THR A 7 -2.151 -10.251 2.119 1.00 23.52 H new ATOM 0 HG21 THR A 7 -0.431 -7.419 3.545 1.00 45.32 H new ATOM 0 HG22 THR A 7 -1.817 -6.349 3.227 1.00 45.32 H new ATOM 0 HG23 THR A 7 -1.987 -7.713 4.356 1.00 45.32 H new ATOM 76 N SER A 8 -4.558 -6.082 2.259 1.00 64.14 N ATOM 77 CA SER A 8 -4.979 -4.814 1.742 1.00 33.45 C ATOM 78 C SER A 8 -4.422 -3.686 2.592 1.00 35.43 C ATOM 79 O SER A 8 -4.337 -3.801 3.807 1.00 23.41 O ATOM 80 CB SER A 8 -6.501 -4.752 1.686 1.00 72.11 C ATOM 81 OG SER A 8 -7.032 -5.880 1.009 1.00 60.02 O ATOM 0 H SER A 8 -4.824 -6.270 3.226 1.00 64.14 H new ATOM 0 HA SER A 8 -4.592 -4.698 0.730 1.00 33.45 H new ATOM 0 HB2 SER A 8 -6.904 -4.708 2.698 1.00 72.11 H new ATOM 0 HB3 SER A 8 -6.813 -3.839 1.179 1.00 72.11 H new ATOM 0 HG SER A 8 -8.010 -5.818 0.988 1.00 60.02 H new ATOM 87 N VAL A 9 -3.993 -2.634 1.948 1.00 50.44 N ATOM 88 CA VAL A 9 -3.508 -1.455 2.626 1.00 51.54 C ATOM 89 C VAL A 9 -4.324 -0.288 2.124 1.00 5.04 C ATOM 90 O VAL A 9 -4.351 -0.005 0.916 1.00 60.23 O ATOM 91 CB VAL A 9 -1.999 -1.204 2.358 1.00 60.43 C ATOM 92 CG1 VAL A 9 -1.511 0.027 3.105 1.00 25.12 C ATOM 93 CG2 VAL A 9 -1.170 -2.415 2.753 1.00 11.40 C ATOM 0 H VAL A 9 -3.969 -2.567 0.930 1.00 50.44 H new ATOM 0 HA VAL A 9 -3.613 -1.585 3.703 1.00 51.54 H new ATOM 0 HB VAL A 9 -1.877 -1.032 1.289 1.00 60.43 H new ATOM 0 HG11 VAL A 9 -0.451 0.181 2.900 1.00 25.12 H new ATOM 0 HG12 VAL A 9 -2.074 0.900 2.775 1.00 25.12 H new ATOM 0 HG13 VAL A 9 -1.657 -0.116 4.176 1.00 25.12 H new ATOM 0 HG21 VAL A 9 -0.117 -2.215 2.556 1.00 11.40 H new ATOM 0 HG22 VAL A 9 -1.308 -2.620 3.815 1.00 11.40 H new ATOM 0 HG23 VAL A 9 -1.490 -3.280 2.172 1.00 11.40 H new ATOM 103 N THR A 10 -4.983 0.357 3.020 1.00 14.24 N ATOM 104 CA THR A 10 -5.890 1.395 2.687 1.00 10.14 C ATOM 105 C THR A 10 -5.414 2.699 3.314 1.00 63.23 C ATOM 106 O THR A 10 -5.103 2.747 4.507 1.00 4.45 O ATOM 107 CB THR A 10 -7.300 1.030 3.211 1.00 23.03 C ATOM 108 OG1 THR A 10 -7.631 -0.320 2.798 1.00 74.45 O ATOM 109 CG2 THR A 10 -8.347 1.983 2.657 1.00 74.35 C ATOM 0 H THR A 10 -4.905 0.175 4.021 1.00 14.24 H new ATOM 0 HA THR A 10 -5.935 1.518 1.605 1.00 10.14 H new ATOM 0 HB THR A 10 -7.293 1.105 4.298 1.00 23.03 H new ATOM 0 HG1 THR A 10 -8.137 -0.765 3.510 1.00 74.45 H new ATOM 0 HG21 THR A 10 -9.330 1.706 3.039 1.00 74.35 H new ATOM 0 HG22 THR A 10 -8.111 3.002 2.965 1.00 74.35 H new ATOM 0 HG23 THR A 10 -8.352 1.925 1.569 1.00 74.35 H new ATOM 117 N LEU A 11 -5.318 3.721 2.516 1.00 14.04 N ATOM 118 CA LEU A 11 -4.922 5.003 2.991 1.00 72.20 C ATOM 119 C LEU A 11 -6.158 5.772 3.438 1.00 2.32 C ATOM 120 O LEU A 11 -7.192 5.756 2.760 1.00 5.23 O ATOM 121 CB LEU A 11 -4.042 5.752 1.939 1.00 64.34 C ATOM 122 CG LEU A 11 -4.632 6.075 0.538 1.00 5.30 C ATOM 123 CD1 LEU A 11 -5.548 7.299 0.557 1.00 23.35 C ATOM 124 CD2 LEU A 11 -3.517 6.263 -0.477 1.00 14.31 C ATOM 0 H LEU A 11 -5.514 3.684 1.516 1.00 14.04 H new ATOM 0 HA LEU A 11 -4.277 4.901 3.864 1.00 72.20 H new ATOM 0 HB2 LEU A 11 -3.729 6.695 2.387 1.00 64.34 H new ATOM 0 HB3 LEU A 11 -3.141 5.158 1.785 1.00 64.34 H new ATOM 0 HG LEU A 11 -5.244 5.222 0.245 1.00 5.30 H new ATOM 0 HD11 LEU A 11 -5.933 7.481 -0.446 1.00 23.35 H new ATOM 0 HD12 LEU A 11 -6.380 7.120 1.238 1.00 23.35 H new ATOM 0 HD13 LEU A 11 -4.985 8.170 0.893 1.00 23.35 H new ATOM 0 HD21 LEU A 11 -3.947 6.489 -1.453 1.00 14.31 H new ATOM 0 HD22 LEU A 11 -2.875 7.087 -0.164 1.00 14.31 H new ATOM 0 HD23 LEU A 11 -2.927 5.349 -0.543 1.00 14.31 H new ATOM 136 N GLN A 12 -6.063 6.358 4.582 1.00 14.13 N ATOM 137 CA GLN A 12 -7.139 7.068 5.208 1.00 53.03 C ATOM 138 C GLN A 12 -6.766 8.543 5.218 1.00 1.01 C ATOM 139 O GLN A 12 -5.787 8.941 5.856 1.00 20.31 O ATOM 140 CB GLN A 12 -7.286 6.528 6.645 1.00 34.33 C ATOM 141 CG GLN A 12 -8.636 6.755 7.326 1.00 54.13 C ATOM 142 CD GLN A 12 -8.981 8.205 7.574 1.00 51.41 C ATOM 143 OE1 GLN A 12 -9.600 8.862 6.739 1.00 13.41 O ATOM 144 NE2 GLN A 12 -8.610 8.703 8.717 1.00 72.42 N ATOM 0 H GLN A 12 -5.204 6.359 5.132 1.00 14.13 H new ATOM 0 HA GLN A 12 -8.084 6.938 4.681 1.00 53.03 H new ATOM 0 HB2 GLN A 12 -7.089 5.456 6.628 1.00 34.33 H new ATOM 0 HB3 GLN A 12 -6.512 6.985 7.262 1.00 34.33 H new ATOM 0 HG2 GLN A 12 -9.418 6.310 6.711 1.00 54.13 H new ATOM 0 HG3 GLN A 12 -8.641 6.226 8.279 1.00 54.13 H new ATOM 0 HE21 GLN A 12 -8.098 8.125 9.383 1.00 72.42 H new ATOM 0 HE22 GLN A 12 -8.831 9.672 8.947 1.00 72.42 H new ATOM 153 N LEU A 13 -7.504 9.317 4.486 1.00 61.04 N ATOM 154 CA LEU A 13 -7.276 10.720 4.355 1.00 34.41 C ATOM 155 C LEU A 13 -8.403 11.483 4.996 1.00 4.13 C ATOM 156 O LEU A 13 -9.547 11.474 4.499 1.00 22.31 O ATOM 157 CB LEU A 13 -7.173 11.099 2.871 1.00 12.21 C ATOM 158 CG LEU A 13 -7.119 12.599 2.555 1.00 1.23 C ATOM 159 CD1 LEU A 13 -5.903 13.264 3.181 1.00 70.12 C ATOM 160 CD2 LEU A 13 -7.153 12.835 1.061 1.00 70.25 C ATOM 0 H LEU A 13 -8.303 8.980 3.949 1.00 61.04 H new ATOM 0 HA LEU A 13 -6.341 10.974 4.854 1.00 34.41 H new ATOM 0 HB2 LEU A 13 -6.279 10.630 2.459 1.00 12.21 H new ATOM 0 HB3 LEU A 13 -8.028 10.670 2.348 1.00 12.21 H new ATOM 0 HG LEU A 13 -8.004 13.058 2.996 1.00 1.23 H new ATOM 0 HD11 LEU A 13 -5.901 14.326 2.934 1.00 70.12 H new ATOM 0 HD12 LEU A 13 -5.939 13.144 4.264 1.00 70.12 H new ATOM 0 HD13 LEU A 13 -4.995 12.800 2.795 1.00 70.12 H new ATOM 0 HD21 LEU A 13 -7.114 13.906 0.861 1.00 70.25 H new ATOM 0 HD22 LEU A 13 -6.296 12.347 0.596 1.00 70.25 H new ATOM 0 HD23 LEU A 13 -8.074 12.422 0.648 1.00 70.25 H new ATOM 172 N ASP A 14 -8.118 12.124 6.078 1.00 61.10 N ATOM 173 CA ASP A 14 -9.103 12.928 6.713 1.00 41.21 C ATOM 174 C ASP A 14 -8.757 14.374 6.584 1.00 34.23 C ATOM 175 O ASP A 14 -7.812 14.866 7.196 1.00 63.45 O ATOM 176 CB ASP A 14 -9.346 12.576 8.169 1.00 31.30 C ATOM 177 CG ASP A 14 -10.361 13.521 8.770 1.00 24.01 C ATOM 178 OD1 ASP A 14 -11.468 13.655 8.198 1.00 54.31 O ATOM 179 OD2 ASP A 14 -10.056 14.189 9.785 1.00 3.23 O ATOM 0 H ASP A 14 -7.209 12.106 6.541 1.00 61.10 H new ATOM 0 HA ASP A 14 -10.037 12.719 6.192 1.00 41.21 H new ATOM 0 HB2 ASP A 14 -9.702 11.549 8.248 1.00 31.30 H new ATOM 0 HB3 ASP A 14 -8.411 12.633 8.726 1.00 31.30 H new ATOM 184 N ASP A 15 -9.505 15.034 5.764 1.00 13.10 N ATOM 185 CA ASP A 15 -9.361 16.456 5.544 1.00 22.54 C ATOM 186 C ASP A 15 -10.652 17.113 6.039 1.00 10.43 C ATOM 187 O ASP A 15 -11.033 18.220 5.645 1.00 74.35 O ATOM 188 CB ASP A 15 -9.146 16.698 4.038 1.00 63.45 C ATOM 189 CG ASP A 15 -8.834 18.141 3.679 1.00 11.42 C ATOM 190 OD1 ASP A 15 -7.764 18.633 4.033 1.00 72.42 O ATOM 191 OD2 ASP A 15 -9.660 18.808 3.001 1.00 43.40 O ATOM 0 H ASP A 15 -10.249 14.605 5.214 1.00 13.10 H new ATOM 0 HA ASP A 15 -8.509 16.877 6.077 1.00 22.54 H new ATOM 0 HB2 ASP A 15 -8.329 16.064 3.692 1.00 63.45 H new ATOM 0 HB3 ASP A 15 -10.041 16.386 3.500 1.00 63.45 H new ATOM 196 N GLY A 16 -11.300 16.417 6.946 1.00 0.14 N ATOM 197 CA GLY A 16 -12.587 16.821 7.427 1.00 2.23 C ATOM 198 C GLY A 16 -13.632 16.063 6.670 1.00 34.23 C ATOM 199 O GLY A 16 -14.621 16.632 6.198 1.00 41.51 O ATOM 0 H GLY A 16 -10.944 15.558 7.366 1.00 0.14 H new ATOM 0 HA2 GLY A 16 -12.673 16.622 8.495 1.00 2.23 H new ATOM 0 HA3 GLY A 16 -12.723 17.894 7.291 1.00 2.23 H new ATOM 203 N SER A 17 -13.385 14.777 6.517 1.00 22.55 N ATOM 204 CA SER A 17 -14.235 13.917 5.745 1.00 31.42 C ATOM 205 C SER A 17 -14.023 12.452 6.144 1.00 24.41 C ATOM 206 O SER A 17 -14.856 11.842 6.829 1.00 54.03 O ATOM 207 CB SER A 17 -13.926 14.135 4.251 1.00 15.12 C ATOM 208 OG SER A 17 -12.504 14.077 4.008 1.00 23.44 O ATOM 0 H SER A 17 -12.581 14.304 6.931 1.00 22.55 H new ATOM 0 HA SER A 17 -15.281 14.158 5.937 1.00 31.42 H new ATOM 0 HB2 SER A 17 -14.433 13.375 3.656 1.00 15.12 H new ATOM 0 HB3 SER A 17 -14.315 15.102 3.932 1.00 15.12 H new ATOM 0 HG SER A 17 -12.329 14.216 3.054 1.00 23.44 H new ATOM 214 N GLY A 18 -12.881 11.927 5.780 1.00 2.32 N ATOM 215 CA GLY A 18 -12.571 10.557 6.036 1.00 51.31 C ATOM 216 C GLY A 18 -12.685 9.759 4.768 1.00 53.33 C ATOM 217 O GLY A 18 -13.645 9.018 4.566 1.00 52.13 O ATOM 0 H GLY A 18 -12.145 12.443 5.298 1.00 2.32 H new ATOM 0 HA2 GLY A 18 -11.562 10.473 6.439 1.00 51.31 H new ATOM 0 HA3 GLY A 18 -13.249 10.157 6.790 1.00 51.31 H new ATOM 221 N ARG A 19 -11.736 9.937 3.895 1.00 71.45 N ATOM 222 CA ARG A 19 -11.732 9.242 2.638 1.00 52.31 C ATOM 223 C ARG A 19 -10.740 8.134 2.676 1.00 13.34 C ATOM 224 O ARG A 19 -9.775 8.191 3.428 1.00 52.11 O ATOM 225 CB ARG A 19 -11.395 10.160 1.488 1.00 64.51 C ATOM 226 CG ARG A 19 -12.350 11.320 1.296 1.00 34.03 C ATOM 227 CD ARG A 19 -13.795 10.862 1.118 1.00 2.33 C ATOM 228 NE ARG A 19 -13.948 9.909 0.012 1.00 2.01 N ATOM 229 CZ ARG A 19 -14.335 10.225 -1.229 1.00 61.10 C ATOM 230 NH1 ARG A 19 -14.487 11.509 -1.580 1.00 71.23 N ATOM 231 NH2 ARG A 19 -14.551 9.257 -2.117 1.00 23.11 N ATOM 0 H ARG A 19 -10.945 10.566 4.033 1.00 71.45 H new ATOM 0 HA ARG A 19 -12.736 8.849 2.481 1.00 52.31 H new ATOM 0 HB2 ARG A 19 -10.391 10.556 1.641 1.00 64.51 H new ATOM 0 HB3 ARG A 19 -11.370 9.574 0.570 1.00 64.51 H new ATOM 0 HG2 ARG A 19 -12.286 11.986 2.157 1.00 34.03 H new ATOM 0 HG3 ARG A 19 -12.045 11.897 0.423 1.00 34.03 H new ATOM 0 HD2 ARG A 19 -14.144 10.401 2.042 1.00 2.33 H new ATOM 0 HD3 ARG A 19 -14.429 11.730 0.936 1.00 2.33 H new ATOM 0 HE ARG A 19 -13.743 8.929 0.205 1.00 2.01 H new ATOM 0 HH11 ARG A 19 -14.308 12.248 -0.900 1.00 71.23 H new ATOM 0 HH12 ARG A 19 -14.782 11.747 -2.527 1.00 71.23 H new ATOM 0 HH21 ARG A 19 -14.421 8.281 -1.849 1.00 23.11 H new ATOM 0 HH22 ARG A 19 -14.846 9.491 -3.065 1.00 23.11 H new ATOM 245 N THR A 20 -10.946 7.146 1.858 1.00 64.04 N ATOM 246 CA THR A 20 -10.097 5.992 1.843 1.00 61.21 C ATOM 247 C THR A 20 -9.852 5.480 0.420 1.00 74.04 C ATOM 248 O THR A 20 -10.772 5.416 -0.407 1.00 12.33 O ATOM 249 CB THR A 20 -10.686 4.866 2.730 1.00 54.23 C ATOM 250 OG1 THR A 20 -12.078 4.669 2.420 1.00 52.41 O ATOM 251 CG2 THR A 20 -10.543 5.194 4.203 1.00 34.00 C ATOM 0 H THR A 20 -11.708 7.117 1.181 1.00 64.04 H new ATOM 0 HA THR A 20 -9.134 6.295 2.253 1.00 61.21 H new ATOM 0 HB THR A 20 -10.128 3.953 2.522 1.00 54.23 H new ATOM 0 HG1 THR A 20 -12.441 3.955 2.984 1.00 52.41 H new ATOM 0 HG21 THR A 20 -10.966 4.385 4.799 1.00 34.00 H new ATOM 0 HG22 THR A 20 -9.488 5.312 4.449 1.00 34.00 H new ATOM 0 HG23 THR A 20 -11.073 6.121 4.422 1.00 34.00 H new ATOM 259 N TYR A 21 -8.618 5.153 0.140 1.00 15.03 N ATOM 260 CA TYR A 21 -8.214 4.587 -1.134 1.00 13.44 C ATOM 261 C TYR A 21 -7.319 3.409 -0.840 1.00 42.04 C ATOM 262 O TYR A 21 -6.504 3.471 0.077 1.00 23.15 O ATOM 263 CB TYR A 21 -7.469 5.631 -1.993 1.00 20.55 C ATOM 264 CG TYR A 21 -6.950 5.099 -3.318 1.00 51.31 C ATOM 265 CD1 TYR A 21 -7.796 4.944 -4.399 1.00 73.12 C ATOM 266 CD2 TYR A 21 -5.610 4.741 -3.477 1.00 42.33 C ATOM 267 CE1 TYR A 21 -7.337 4.452 -5.600 1.00 54.13 C ATOM 268 CE2 TYR A 21 -5.146 4.245 -4.677 1.00 60.53 C ATOM 269 CZ TYR A 21 -6.015 4.103 -5.734 1.00 45.04 C ATOM 270 OH TYR A 21 -5.557 3.602 -6.936 1.00 5.12 O ATOM 0 H TYR A 21 -7.847 5.272 0.797 1.00 15.03 H new ATOM 0 HA TYR A 21 -9.090 4.274 -1.701 1.00 13.44 H new ATOM 0 HB2 TYR A 21 -8.140 6.468 -2.189 1.00 20.55 H new ATOM 0 HB3 TYR A 21 -6.629 6.023 -1.419 1.00 20.55 H new ATOM 0 HD1 TYR A 21 -8.837 5.214 -4.300 1.00 73.12 H new ATOM 0 HD2 TYR A 21 -4.927 4.854 -2.648 1.00 42.33 H new ATOM 0 HE1 TYR A 21 -8.014 4.341 -6.434 1.00 54.13 H new ATOM 0 HE2 TYR A 21 -4.107 3.970 -4.786 1.00 60.53 H new ATOM 0 HH TYR A 21 -4.577 3.627 -6.949 1.00 5.12 H new ATOM 280 N GLN A 22 -7.463 2.356 -1.573 1.00 54.01 N ATOM 281 CA GLN A 22 -6.693 1.188 -1.317 1.00 53.13 C ATOM 282 C GLN A 22 -5.605 1.044 -2.364 1.00 44.15 C ATOM 283 O GLN A 22 -5.843 1.252 -3.553 1.00 4.23 O ATOM 284 CB GLN A 22 -7.605 -0.023 -1.239 1.00 3.51 C ATOM 285 CG GLN A 22 -6.942 -1.257 -0.686 1.00 12.24 C ATOM 286 CD GLN A 22 -7.948 -2.308 -0.329 1.00 50.43 C ATOM 287 OE1 GLN A 22 -8.292 -3.164 -1.138 1.00 33.44 O ATOM 288 NE2 GLN A 22 -8.458 -2.228 0.866 1.00 52.42 N ATOM 0 H GLN A 22 -8.110 2.281 -2.358 1.00 54.01 H new ATOM 0 HA GLN A 22 -6.192 1.272 -0.352 1.00 53.13 H new ATOM 0 HB2 GLN A 22 -8.466 0.223 -0.618 1.00 3.51 H new ATOM 0 HB3 GLN A 22 -7.985 -0.244 -2.237 1.00 3.51 H new ATOM 0 HG2 GLN A 22 -6.243 -1.656 -1.421 1.00 12.24 H new ATOM 0 HG3 GLN A 22 -6.360 -0.994 0.197 1.00 12.24 H new ATOM 0 HE21 GLN A 22 -8.143 -1.500 1.507 1.00 52.42 H new ATOM 0 HE22 GLN A 22 -9.173 -2.893 1.161 1.00 52.42 H new ATOM 297 N LEU A 23 -4.413 0.726 -1.905 1.00 33.22 N ATOM 298 CA LEU A 23 -3.236 0.639 -2.754 1.00 71.35 C ATOM 299 C LEU A 23 -3.344 -0.455 -3.800 1.00 60.24 C ATOM 300 O LEU A 23 -3.936 -1.517 -3.566 1.00 51.33 O ATOM 301 CB LEU A 23 -1.973 0.446 -1.915 1.00 1.52 C ATOM 302 CG LEU A 23 -1.617 1.584 -0.952 1.00 53.13 C ATOM 303 CD1 LEU A 23 -0.404 1.209 -0.134 1.00 22.33 C ATOM 304 CD2 LEU A 23 -1.350 2.878 -1.714 1.00 63.13 C ATOM 0 H LEU A 23 -4.229 0.518 -0.924 1.00 33.22 H new ATOM 0 HA LEU A 23 -3.170 1.587 -3.288 1.00 71.35 H new ATOM 0 HB2 LEU A 23 -2.084 -0.470 -1.335 1.00 1.52 H new ATOM 0 HB3 LEU A 23 -1.132 0.295 -2.592 1.00 1.52 H new ATOM 0 HG LEU A 23 -2.464 1.746 -0.286 1.00 53.13 H new ATOM 0 HD11 LEU A 23 -0.159 2.024 0.547 1.00 22.33 H new ATOM 0 HD12 LEU A 23 -0.617 0.307 0.440 1.00 22.33 H new ATOM 0 HD13 LEU A 23 0.440 1.025 -0.798 1.00 22.33 H new ATOM 0 HD21 LEU A 23 -1.100 3.670 -1.009 1.00 63.13 H new ATOM 0 HD22 LEU A 23 -0.519 2.729 -2.403 1.00 63.13 H new ATOM 0 HD23 LEU A 23 -2.241 3.160 -2.275 1.00 63.13 H new ATOM 316 N ARG A 24 -2.763 -0.183 -4.945 1.00 42.52 N ATOM 317 CA ARG A 24 -2.760 -1.094 -6.068 1.00 72.30 C ATOM 318 C ARG A 24 -1.442 -1.840 -6.059 1.00 20.34 C ATOM 319 O ARG A 24 -0.482 -1.368 -5.449 1.00 13.43 O ATOM 320 CB ARG A 24 -2.877 -0.309 -7.382 1.00 54.12 C ATOM 321 CG ARG A 24 -4.030 0.685 -7.436 1.00 3.41 C ATOM 322 CD ARG A 24 -5.378 0.024 -7.211 1.00 55.03 C ATOM 323 NE ARG A 24 -6.471 0.994 -7.293 1.00 12.23 N ATOM 324 CZ ARG A 24 -7.774 0.694 -7.278 1.00 51.13 C ATOM 325 NH1 ARG A 24 -8.173 -0.547 -6.999 1.00 14.54 N ATOM 326 NH2 ARG A 24 -8.676 1.646 -7.502 1.00 22.42 N ATOM 0 H ARG A 24 -2.271 0.692 -5.126 1.00 42.52 H new ATOM 0 HA ARG A 24 -3.601 -1.783 -5.990 1.00 72.30 H new ATOM 0 HB2 ARG A 24 -1.944 0.229 -7.551 1.00 54.12 H new ATOM 0 HB3 ARG A 24 -2.989 -1.018 -8.203 1.00 54.12 H new ATOM 0 HG2 ARG A 24 -3.876 1.456 -6.681 1.00 3.41 H new ATOM 0 HG3 ARG A 24 -4.031 1.184 -8.405 1.00 3.41 H new ATOM 0 HD2 ARG A 24 -5.529 -0.759 -7.954 1.00 55.03 H new ATOM 0 HD3 ARG A 24 -5.390 -0.457 -6.233 1.00 55.03 H new ATOM 0 HE ARG A 24 -6.218 1.979 -7.368 1.00 12.23 H new ATOM 0 HH11 ARG A 24 -7.484 -1.271 -6.796 1.00 14.54 H new ATOM 0 HH12 ARG A 24 -9.168 -0.773 -6.988 1.00 14.54 H new ATOM 0 HH21 ARG A 24 -8.373 2.603 -7.685 1.00 22.42 H new ATOM 0 HH22 ARG A 24 -9.670 1.419 -7.491 1.00 22.42 H new ATOM 340 N GLU A 25 -1.382 -2.959 -6.745 1.00 2.13 N ATOM 341 CA GLU A 25 -0.180 -3.771 -6.782 1.00 72.40 C ATOM 342 C GLU A 25 0.873 -3.131 -7.677 1.00 65.33 C ATOM 343 O GLU A 25 0.673 -2.953 -8.887 1.00 63.53 O ATOM 344 CB GLU A 25 -0.465 -5.253 -7.183 1.00 23.53 C ATOM 345 CG GLU A 25 -1.199 -5.475 -8.519 1.00 2.01 C ATOM 346 CD GLU A 25 -2.647 -5.046 -8.491 1.00 22.00 C ATOM 347 OE1 GLU A 25 -3.507 -5.852 -8.098 1.00 23.34 O ATOM 348 OE2 GLU A 25 -2.946 -3.892 -8.831 1.00 3.31 O ATOM 0 H GLU A 25 -2.158 -3.333 -7.291 1.00 2.13 H new ATOM 0 HA GLU A 25 0.216 -3.809 -5.767 1.00 72.40 H new ATOM 0 HB2 GLU A 25 0.486 -5.784 -7.224 1.00 23.53 H new ATOM 0 HB3 GLU A 25 -1.054 -5.714 -6.390 1.00 23.53 H new ATOM 0 HG2 GLU A 25 -0.681 -4.925 -9.305 1.00 2.01 H new ATOM 0 HG3 GLU A 25 -1.147 -6.532 -8.782 1.00 2.01 H new ATOM 355 N GLY A 26 1.973 -2.793 -7.092 1.00 4.23 N ATOM 356 CA GLY A 26 3.010 -2.102 -7.781 1.00 11.30 C ATOM 357 C GLY A 26 3.331 -0.849 -7.044 1.00 73.11 C ATOM 358 O GLY A 26 2.876 -0.656 -5.906 1.00 10.33 O ATOM 0 H GLY A 26 2.179 -2.991 -6.113 1.00 4.23 H new ATOM 0 HA2 GLY A 26 3.896 -2.732 -7.856 1.00 11.30 H new ATOM 0 HA3 GLY A 26 2.696 -1.870 -8.799 1.00 11.30 H new ATOM 362 N SER A 27 4.097 -0.006 -7.626 1.00 3.45 N ATOM 363 CA SER A 27 4.446 1.192 -6.969 1.00 24.33 C ATOM 364 C SER A 27 3.741 2.405 -7.575 1.00 44.14 C ATOM 365 O SER A 27 3.461 2.464 -8.791 1.00 42.52 O ATOM 366 CB SER A 27 5.962 1.358 -6.923 1.00 0.24 C ATOM 367 OG SER A 27 6.357 2.562 -6.288 1.00 44.13 O ATOM 0 H SER A 27 4.495 -0.124 -8.558 1.00 3.45 H new ATOM 0 HA SER A 27 4.094 1.126 -5.940 1.00 24.33 H new ATOM 0 HB2 SER A 27 6.401 0.512 -6.395 1.00 0.24 H new ATOM 0 HB3 SER A 27 6.357 1.340 -7.939 1.00 0.24 H new ATOM 0 HG SER A 27 5.735 2.766 -5.559 1.00 44.13 H new ATOM 373 N ASN A 28 3.439 3.343 -6.732 1.00 45.34 N ATOM 374 CA ASN A 28 2.827 4.576 -7.117 1.00 72.42 C ATOM 375 C ASN A 28 3.708 5.715 -6.687 1.00 25.31 C ATOM 376 O ASN A 28 4.188 5.752 -5.554 1.00 73.41 O ATOM 377 CB ASN A 28 1.398 4.719 -6.556 1.00 43.42 C ATOM 378 CG ASN A 28 1.287 4.563 -5.047 1.00 32.11 C ATOM 379 OD1 ASN A 28 1.363 5.524 -4.307 1.00 74.12 O ATOM 380 ND2 ASN A 28 1.115 3.337 -4.589 1.00 4.15 N ATOM 0 H ASN A 28 3.616 3.270 -5.730 1.00 45.34 H new ATOM 0 HA ASN A 28 2.724 4.590 -8.202 1.00 72.42 H new ATOM 0 HB2 ASN A 28 1.009 5.698 -6.836 1.00 43.42 H new ATOM 0 HB3 ASN A 28 0.760 3.975 -7.032 1.00 43.42 H new ATOM 0 HD21 ASN A 28 1.042 3.173 -3.585 1.00 4.15 H new ATOM 0 HD22 ASN A 28 1.056 2.553 -5.239 1.00 4.15 H new ATOM 387 N ILE A 29 3.972 6.597 -7.609 1.00 34.34 N ATOM 388 CA ILE A 29 4.827 7.733 -7.367 1.00 11.32 C ATOM 389 C ILE A 29 3.944 8.943 -7.126 1.00 4.12 C ATOM 390 O ILE A 29 3.067 9.244 -7.947 1.00 30.00 O ATOM 391 CB ILE A 29 5.738 8.024 -8.599 1.00 11.41 C ATOM 392 CG1 ILE A 29 6.491 6.757 -9.075 1.00 20.51 C ATOM 393 CG2 ILE A 29 6.725 9.154 -8.296 1.00 42.04 C ATOM 394 CD1 ILE A 29 7.412 6.131 -8.049 1.00 32.52 C ATOM 0 H ILE A 29 3.599 6.551 -8.557 1.00 34.34 H new ATOM 0 HA ILE A 29 5.463 7.522 -6.507 1.00 11.32 H new ATOM 0 HB ILE A 29 5.085 8.342 -9.412 1.00 11.41 H new ATOM 0 HG12 ILE A 29 5.757 6.012 -9.384 1.00 20.51 H new ATOM 0 HG13 ILE A 29 7.077 7.012 -9.958 1.00 20.51 H new ATOM 0 HG21 ILE A 29 7.348 9.337 -9.171 1.00 42.04 H new ATOM 0 HG22 ILE A 29 6.174 10.061 -8.047 1.00 42.04 H new ATOM 0 HG23 ILE A 29 7.356 8.870 -7.454 1.00 42.04 H new ATOM 0 HD11 ILE A 29 7.891 5.252 -8.479 1.00 32.52 H new ATOM 0 HD12 ILE A 29 8.174 6.853 -7.756 1.00 32.52 H new ATOM 0 HD13 ILE A 29 6.834 5.837 -7.173 1.00 32.52 H new ATOM 406 N ILE A 30 4.149 9.602 -6.030 1.00 24.44 N ATOM 407 CA ILE A 30 3.388 10.772 -5.682 1.00 42.54 C ATOM 408 C ILE A 30 4.254 12.015 -5.877 1.00 55.52 C ATOM 409 O ILE A 30 5.428 12.040 -5.459 1.00 51.44 O ATOM 410 CB ILE A 30 2.871 10.694 -4.208 1.00 75.01 C ATOM 411 CG1 ILE A 30 1.969 9.455 -4.021 1.00 44.22 C ATOM 412 CG2 ILE A 30 2.150 11.978 -3.805 1.00 52.43 C ATOM 413 CD1 ILE A 30 1.440 9.264 -2.611 1.00 31.11 C ATOM 0 H ILE A 30 4.855 9.345 -5.341 1.00 24.44 H new ATOM 0 HA ILE A 30 2.517 10.828 -6.334 1.00 42.54 H new ATOM 0 HB ILE A 30 3.732 10.589 -3.547 1.00 75.01 H new ATOM 0 HG12 ILE A 30 1.124 9.531 -4.705 1.00 44.22 H new ATOM 0 HG13 ILE A 30 2.531 8.566 -4.307 1.00 44.22 H new ATOM 0 HG21 ILE A 30 1.803 11.892 -2.775 1.00 52.43 H new ATOM 0 HG22 ILE A 30 2.835 12.821 -3.888 1.00 52.43 H new ATOM 0 HG23 ILE A 30 1.296 12.138 -4.464 1.00 52.43 H new ATOM 0 HD11 ILE A 30 0.817 8.370 -2.574 1.00 31.11 H new ATOM 0 HD12 ILE A 30 2.276 9.152 -1.921 1.00 31.11 H new ATOM 0 HD13 ILE A 30 0.846 10.132 -2.324 1.00 31.11 H new ATOM 425 N GLY A 31 3.705 12.997 -6.560 1.00 40.03 N ATOM 426 CA GLY A 31 4.383 14.247 -6.779 1.00 34.12 C ATOM 427 C GLY A 31 3.939 14.856 -8.062 1.00 52.23 C ATOM 428 O GLY A 31 2.862 14.528 -8.550 1.00 53.42 O ATOM 0 H GLY A 31 2.776 12.946 -6.977 1.00 40.03 H new ATOM 0 HA2 GLY A 31 4.178 14.929 -5.954 1.00 34.12 H new ATOM 0 HA3 GLY A 31 5.461 14.086 -6.799 1.00 34.12 H new ATOM 432 N ARG A 32 4.715 15.745 -8.606 1.00 31.32 N ATOM 433 CA ARG A 32 4.374 16.318 -9.881 1.00 41.22 C ATOM 434 C ARG A 32 5.557 16.217 -10.815 1.00 10.05 C ATOM 435 O ARG A 32 6.512 16.981 -10.707 1.00 24.42 O ATOM 436 CB ARG A 32 3.956 17.791 -9.747 1.00 5.15 C ATOM 437 CG ARG A 32 2.703 18.049 -8.924 1.00 3.32 C ATOM 438 CD ARG A 32 2.277 19.505 -9.081 1.00 42.45 C ATOM 439 NE ARG A 32 0.985 19.811 -8.448 1.00 53.14 N ATOM 440 CZ ARG A 32 -0.154 20.021 -9.135 1.00 4.12 C ATOM 441 NH1 ARG A 32 -0.227 19.693 -10.421 1.00 23.32 N ATOM 442 NH2 ARG A 32 -1.231 20.498 -8.528 1.00 43.31 N ATOM 0 H ARG A 32 5.582 16.089 -8.194 1.00 31.32 H new ATOM 0 HA ARG A 32 3.528 15.760 -10.282 1.00 41.22 H new ATOM 0 HB2 ARG A 32 4.782 18.345 -9.301 1.00 5.15 H new ATOM 0 HB3 ARG A 32 3.802 18.198 -10.746 1.00 5.15 H new ATOM 0 HG2 ARG A 32 1.900 17.388 -9.249 1.00 3.32 H new ATOM 0 HG3 ARG A 32 2.893 17.827 -7.874 1.00 3.32 H new ATOM 0 HD2 ARG A 32 3.045 20.148 -8.650 1.00 42.45 H new ATOM 0 HD3 ARG A 32 2.218 19.745 -10.143 1.00 42.45 H new ATOM 0 HE ARG A 32 0.950 19.867 -7.430 1.00 53.14 H new ATOM 0 HH11 ARG A 32 0.580 19.282 -10.889 1.00 23.32 H new ATOM 0 HH12 ARG A 32 -1.091 19.853 -10.940 1.00 23.32 H new ATOM 0 HH21 ARG A 32 -1.203 20.710 -7.531 1.00 43.31 H new ATOM 0 HH22 ARG A 32 -2.088 20.653 -9.058 1.00 43.31 H new ATOM 456 N GLY A 33 5.471 15.316 -11.750 1.00 50.11 N ATOM 457 CA GLY A 33 6.525 15.104 -12.689 1.00 45.44 C ATOM 458 C GLY A 33 6.145 14.025 -13.659 1.00 21.12 C ATOM 459 O GLY A 33 5.066 13.460 -13.551 1.00 75.22 O ATOM 0 H GLY A 33 4.663 14.707 -11.880 1.00 50.11 H new ATOM 0 HA2 GLY A 33 6.735 16.029 -13.226 1.00 45.44 H new ATOM 0 HA3 GLY A 33 7.439 14.826 -12.164 1.00 45.44 H new ATOM 463 N GLN A 34 7.031 13.718 -14.561 1.00 32.32 N ATOM 464 CA GLN A 34 6.795 12.738 -15.626 1.00 51.24 C ATOM 465 C GLN A 34 6.673 11.307 -15.101 1.00 22.30 C ATOM 466 O GLN A 34 6.095 10.446 -15.762 1.00 21.11 O ATOM 467 CB GLN A 34 7.920 12.833 -16.646 1.00 51.11 C ATOM 468 CG GLN A 34 9.293 12.581 -16.055 1.00 24.31 C ATOM 469 CD GLN A 34 10.414 12.962 -16.979 1.00 33.40 C ATOM 470 OE1 GLN A 34 10.278 13.860 -17.813 1.00 54.44 O ATOM 471 NE2 GLN A 34 11.535 12.338 -16.818 1.00 44.43 N ATOM 0 H GLN A 34 7.960 14.139 -14.593 1.00 32.32 H new ATOM 0 HA GLN A 34 5.839 12.977 -16.091 1.00 51.24 H new ATOM 0 HB2 GLN A 34 7.739 12.113 -17.444 1.00 51.11 H new ATOM 0 HB3 GLN A 34 7.905 13.823 -17.101 1.00 51.11 H new ATOM 0 HG2 GLN A 34 9.390 13.142 -15.126 1.00 24.31 H new ATOM 0 HG3 GLN A 34 9.384 11.525 -15.800 1.00 24.31 H new ATOM 0 HE21 GLN A 34 11.612 11.600 -16.118 1.00 44.43 H new ATOM 0 HE22 GLN A 34 12.342 12.584 -17.391 1.00 44.43 H new ATOM 480 N ASP A 35 7.224 11.060 -13.925 1.00 34.44 N ATOM 481 CA ASP A 35 7.184 9.724 -13.326 1.00 32.03 C ATOM 482 C ASP A 35 6.064 9.627 -12.331 1.00 34.22 C ATOM 483 O ASP A 35 5.764 8.543 -11.821 1.00 22.21 O ATOM 484 CB ASP A 35 8.489 9.381 -12.589 1.00 61.33 C ATOM 485 CG ASP A 35 9.702 9.283 -13.472 1.00 73.20 C ATOM 486 OD1 ASP A 35 9.797 8.352 -14.279 1.00 72.04 O ATOM 487 OD2 ASP A 35 10.614 10.117 -13.339 1.00 4.13 O ATOM 0 H ASP A 35 7.705 11.761 -13.362 1.00 34.44 H new ATOM 0 HA ASP A 35 7.038 9.024 -14.148 1.00 32.03 H new ATOM 0 HB2 ASP A 35 8.671 10.140 -11.828 1.00 61.33 H new ATOM 0 HB3 ASP A 35 8.358 8.432 -12.068 1.00 61.33 H new ATOM 492 N ALA A 36 5.442 10.747 -12.055 1.00 75.55 N ATOM 493 CA ALA A 36 4.442 10.818 -11.025 1.00 64.35 C ATOM 494 C ALA A 36 3.134 10.215 -11.478 1.00 62.00 C ATOM 495 O ALA A 36 2.636 10.510 -12.569 1.00 32.44 O ATOM 496 CB ALA A 36 4.254 12.244 -10.559 1.00 62.43 C ATOM 0 H ALA A 36 5.615 11.629 -12.537 1.00 75.55 H new ATOM 0 HA ALA A 36 4.794 10.228 -10.179 1.00 64.35 H new ATOM 0 HB1 ALA A 36 3.493 12.275 -9.779 1.00 62.43 H new ATOM 0 HB2 ALA A 36 5.195 12.624 -10.162 1.00 62.43 H new ATOM 0 HB3 ALA A 36 3.938 12.863 -11.399 1.00 62.43 H new ATOM 502 N GLN A 37 2.601 9.358 -10.653 1.00 0.23 N ATOM 503 CA GLN A 37 1.363 8.682 -10.918 1.00 0.13 C ATOM 504 C GLN A 37 0.245 9.496 -10.314 1.00 3.23 C ATOM 505 O GLN A 37 -0.737 9.811 -10.966 1.00 64.45 O ATOM 506 CB GLN A 37 1.382 7.295 -10.265 1.00 62.53 C ATOM 507 CG GLN A 37 2.503 6.379 -10.740 1.00 65.15 C ATOM 508 CD GLN A 37 2.398 6.029 -12.203 1.00 23.23 C ATOM 509 OE1 GLN A 37 2.937 6.723 -13.061 1.00 14.44 O ATOM 510 NE2 GLN A 37 1.710 4.958 -12.503 1.00 31.04 N ATOM 0 H GLN A 37 3.024 9.105 -9.760 1.00 0.23 H new ATOM 0 HA GLN A 37 1.220 8.570 -11.993 1.00 0.13 H new ATOM 0 HB2 GLN A 37 1.466 7.419 -9.185 1.00 62.53 H new ATOM 0 HB3 GLN A 37 0.427 6.806 -10.456 1.00 62.53 H new ATOM 0 HG2 GLN A 37 3.462 6.862 -10.556 1.00 65.15 H new ATOM 0 HG3 GLN A 37 2.490 5.462 -10.151 1.00 65.15 H new ATOM 0 HE21 GLN A 37 1.276 4.406 -11.763 1.00 31.04 H new ATOM 0 HE22 GLN A 37 1.607 4.674 -13.477 1.00 31.04 H new ATOM 519 N PHE A 38 0.435 9.859 -9.075 1.00 70.11 N ATOM 520 CA PHE A 38 -0.525 10.611 -8.325 1.00 5.22 C ATOM 521 C PHE A 38 0.044 11.990 -8.053 1.00 32.10 C ATOM 522 O PHE A 38 1.156 12.124 -7.531 1.00 73.55 O ATOM 523 CB PHE A 38 -0.849 9.864 -7.021 1.00 52.51 C ATOM 524 CG PHE A 38 -1.769 10.587 -6.077 1.00 63.31 C ATOM 525 CD1 PHE A 38 -3.130 10.661 -6.318 1.00 30.13 C ATOM 526 CD2 PHE A 38 -1.264 11.180 -4.939 1.00 21.03 C ATOM 527 CE1 PHE A 38 -3.965 11.317 -5.431 1.00 13.12 C ATOM 528 CE2 PHE A 38 -2.079 11.831 -4.056 1.00 12.22 C ATOM 529 CZ PHE A 38 -3.437 11.906 -4.296 1.00 45.34 C ATOM 0 H PHE A 38 1.280 9.634 -8.550 1.00 70.11 H new ATOM 0 HA PHE A 38 -1.453 10.724 -8.885 1.00 5.22 H new ATOM 0 HB2 PHE A 38 -1.297 8.903 -7.274 1.00 52.51 H new ATOM 0 HB3 PHE A 38 0.085 9.653 -6.501 1.00 52.51 H new ATOM 0 HD1 PHE A 38 -3.543 10.203 -7.205 1.00 30.13 H new ATOM 0 HD2 PHE A 38 -0.203 11.129 -4.742 1.00 21.03 H new ATOM 0 HE1 PHE A 38 -5.026 11.369 -5.624 1.00 13.12 H new ATOM 0 HE2 PHE A 38 -1.661 12.287 -3.171 1.00 12.22 H new ATOM 0 HZ PHE A 38 -4.083 12.422 -3.601 1.00 45.34 H new ATOM 539 N ARG A 39 -0.695 12.996 -8.418 1.00 22.45 N ATOM 540 CA ARG A 39 -0.253 14.362 -8.279 1.00 22.53 C ATOM 541 C ARG A 39 -0.867 14.946 -7.024 1.00 62.44 C ATOM 542 O ARG A 39 -2.059 14.751 -6.772 1.00 30.30 O ATOM 543 CB ARG A 39 -0.739 15.196 -9.476 1.00 54.33 C ATOM 544 CG ARG A 39 -0.530 14.551 -10.840 1.00 12.42 C ATOM 545 CD ARG A 39 0.927 14.353 -11.199 1.00 63.15 C ATOM 546 NE ARG A 39 1.062 13.580 -12.448 1.00 41.10 N ATOM 547 CZ ARG A 39 1.884 13.863 -13.463 1.00 63.34 C ATOM 548 NH1 ARG A 39 2.498 15.050 -13.529 1.00 34.34 N ATOM 549 NH2 ARG A 39 2.037 12.986 -14.450 1.00 4.33 N ATOM 0 H ARG A 39 -1.626 12.897 -8.823 1.00 22.45 H new ATOM 0 HA ARG A 39 0.836 14.382 -8.230 1.00 22.53 H new ATOM 0 HB2 ARG A 39 -1.802 15.402 -9.348 1.00 54.33 H new ATOM 0 HB3 ARG A 39 -0.224 16.157 -9.463 1.00 54.33 H new ATOM 0 HG2 ARG A 39 -1.034 13.585 -10.857 1.00 12.42 H new ATOM 0 HG3 ARG A 39 -1.002 15.171 -11.602 1.00 12.42 H new ATOM 0 HD2 ARG A 39 1.412 15.322 -11.312 1.00 63.15 H new ATOM 0 HD3 ARG A 39 1.438 13.834 -10.388 1.00 63.15 H new ATOM 0 HE ARG A 39 0.473 12.753 -12.546 1.00 41.10 H new ATOM 0 HH11 ARG A 39 2.340 15.747 -12.801 1.00 34.34 H new ATOM 0 HH12 ARG A 39 3.124 15.258 -14.307 1.00 34.34 H new ATOM 0 HH21 ARG A 39 1.528 12.102 -14.430 1.00 4.33 H new ATOM 0 HH22 ARG A 39 2.663 13.197 -15.227 1.00 4.33 H new ATOM 563 N LEU A 40 -0.078 15.632 -6.230 1.00 62.44 N ATOM 564 CA LEU A 40 -0.622 16.321 -5.076 1.00 31.01 C ATOM 565 C LEU A 40 -1.207 17.654 -5.519 1.00 72.34 C ATOM 566 O LEU A 40 -0.646 18.300 -6.404 1.00 31.10 O ATOM 567 CB LEU A 40 0.420 16.521 -3.958 1.00 15.11 C ATOM 568 CG LEU A 40 0.847 15.271 -3.175 1.00 45.04 C ATOM 569 CD1 LEU A 40 1.863 15.638 -2.105 1.00 63.43 C ATOM 570 CD2 LEU A 40 -0.359 14.604 -2.529 1.00 33.54 C ATOM 0 H LEU A 40 0.929 15.729 -6.356 1.00 62.44 H new ATOM 0 HA LEU A 40 -1.407 15.696 -4.650 1.00 31.01 H new ATOM 0 HB2 LEU A 40 1.312 16.965 -4.401 1.00 15.11 H new ATOM 0 HB3 LEU A 40 0.021 17.246 -3.248 1.00 15.11 H new ATOM 0 HG LEU A 40 1.303 14.571 -3.876 1.00 45.04 H new ATOM 0 HD11 LEU A 40 2.156 14.741 -1.559 1.00 63.43 H new ATOM 0 HD12 LEU A 40 2.742 16.080 -2.574 1.00 63.43 H new ATOM 0 HD13 LEU A 40 1.421 16.356 -1.414 1.00 63.43 H new ATOM 0 HD21 LEU A 40 -0.035 13.720 -1.979 1.00 33.54 H new ATOM 0 HD22 LEU A 40 -0.837 15.303 -1.843 1.00 33.54 H new ATOM 0 HD23 LEU A 40 -1.070 14.310 -3.302 1.00 33.54 H new ATOM 582 N PRO A 41 -2.353 18.064 -4.935 1.00 52.21 N ATOM 583 CA PRO A 41 -3.056 19.313 -5.294 1.00 21.40 C ATOM 584 C PRO A 41 -2.166 20.564 -5.273 1.00 71.03 C ATOM 585 O PRO A 41 -2.297 21.442 -6.128 1.00 34.22 O ATOM 586 CB PRO A 41 -4.137 19.428 -4.217 1.00 35.25 C ATOM 587 CG PRO A 41 -4.408 18.029 -3.810 1.00 40.33 C ATOM 588 CD PRO A 41 -3.090 17.316 -3.889 1.00 5.34 C ATOM 0 HA PRO A 41 -3.428 19.265 -6.317 1.00 21.40 H new ATOM 0 HB2 PRO A 41 -3.794 20.027 -3.373 1.00 35.25 H new ATOM 0 HB3 PRO A 41 -5.035 19.909 -4.606 1.00 35.25 H new ATOM 0 HG2 PRO A 41 -4.815 17.988 -2.800 1.00 40.33 H new ATOM 0 HG3 PRO A 41 -5.143 17.566 -4.468 1.00 40.33 H new ATOM 0 HD2 PRO A 41 -2.564 17.338 -2.934 1.00 5.34 H new ATOM 0 HD3 PRO A 41 -3.217 16.268 -4.159 1.00 5.34 H new ATOM 596 N ASP A 42 -1.254 20.618 -4.346 1.00 12.43 N ATOM 597 CA ASP A 42 -0.402 21.792 -4.166 1.00 22.14 C ATOM 598 C ASP A 42 0.857 21.749 -5.010 1.00 1.41 C ATOM 599 O ASP A 42 1.165 20.741 -5.662 1.00 74.24 O ATOM 600 CB ASP A 42 -0.007 21.965 -2.697 1.00 20.11 C ATOM 601 CG ASP A 42 -1.151 22.369 -1.819 1.00 31.44 C ATOM 602 OD1 ASP A 42 -1.911 21.490 -1.362 1.00 3.53 O ATOM 603 OD2 ASP A 42 -1.318 23.583 -1.563 1.00 24.13 O ATOM 0 H ASP A 42 -1.068 19.861 -3.688 1.00 12.43 H new ATOM 0 HA ASP A 42 -1.000 22.641 -4.497 1.00 22.14 H new ATOM 0 HB2 ASP A 42 0.412 21.029 -2.328 1.00 20.11 H new ATOM 0 HB3 ASP A 42 0.780 22.716 -2.626 1.00 20.11 H new ATOM 608 N THR A 43 1.554 22.858 -5.022 1.00 63.10 N ATOM 609 CA THR A 43 2.841 22.977 -5.643 1.00 15.22 C ATOM 610 C THR A 43 3.907 22.958 -4.554 1.00 30.03 C ATOM 611 O THR A 43 3.580 23.103 -3.366 1.00 32.40 O ATOM 612 CB THR A 43 2.930 24.280 -6.455 1.00 64.35 C ATOM 613 OG1 THR A 43 2.319 25.359 -5.709 1.00 1.12 O ATOM 614 CG2 THR A 43 2.253 24.126 -7.810 1.00 25.14 C ATOM 0 H THR A 43 1.230 23.722 -4.588 1.00 63.10 H new ATOM 0 HA THR A 43 2.996 22.144 -6.329 1.00 15.22 H new ATOM 0 HB THR A 43 3.981 24.510 -6.630 1.00 64.35 H new ATOM 0 HG1 THR A 43 2.378 26.189 -6.227 1.00 1.12 H new ATOM 0 HG21 THR A 43 2.330 25.062 -8.364 1.00 25.14 H new ATOM 0 HG22 THR A 43 2.741 23.330 -8.372 1.00 25.14 H new ATOM 0 HG23 THR A 43 1.202 23.876 -7.665 1.00 25.14 H new ATOM 622 N GLY A 44 5.148 22.758 -4.929 1.00 74.31 N ATOM 623 CA GLY A 44 6.215 22.681 -3.945 1.00 34.34 C ATOM 624 C GLY A 44 6.610 21.248 -3.735 1.00 41.22 C ATOM 625 O GLY A 44 7.721 20.942 -3.300 1.00 32.23 O ATOM 0 H GLY A 44 5.448 22.646 -5.897 1.00 74.31 H new ATOM 0 HA2 GLY A 44 7.075 23.259 -4.282 1.00 34.34 H new ATOM 0 HA3 GLY A 44 5.886 23.119 -3.003 1.00 34.34 H new ATOM 629 N VAL A 45 5.676 20.378 -4.051 1.00 12.10 N ATOM 630 CA VAL A 45 5.877 18.958 -4.013 1.00 12.21 C ATOM 631 C VAL A 45 6.847 18.568 -5.132 1.00 43.14 C ATOM 632 O VAL A 45 6.758 19.096 -6.261 1.00 13.34 O ATOM 633 CB VAL A 45 4.510 18.200 -4.154 1.00 11.04 C ATOM 634 CG1 VAL A 45 3.757 18.618 -5.409 1.00 1.03 C ATOM 635 CG2 VAL A 45 4.706 16.701 -4.145 1.00 22.22 C ATOM 0 H VAL A 45 4.739 20.650 -4.347 1.00 12.10 H new ATOM 0 HA VAL A 45 6.305 18.672 -3.052 1.00 12.21 H new ATOM 0 HB VAL A 45 3.909 18.478 -3.288 1.00 11.04 H new ATOM 0 HG11 VAL A 45 2.817 18.070 -5.469 1.00 1.03 H new ATOM 0 HG12 VAL A 45 3.552 19.688 -5.371 1.00 1.03 H new ATOM 0 HG13 VAL A 45 4.363 18.396 -6.288 1.00 1.03 H new ATOM 0 HG21 VAL A 45 3.739 16.207 -4.244 1.00 22.22 H new ATOM 0 HG22 VAL A 45 5.348 16.413 -4.977 1.00 22.22 H new ATOM 0 HG23 VAL A 45 5.172 16.401 -3.207 1.00 22.22 H new ATOM 645 N SER A 46 7.778 17.713 -4.822 1.00 63.12 N ATOM 646 CA SER A 46 8.777 17.301 -5.764 1.00 4.43 C ATOM 647 C SER A 46 8.184 16.476 -6.929 1.00 53.32 C ATOM 648 O SER A 46 7.049 15.981 -6.851 1.00 75.23 O ATOM 649 CB SER A 46 9.855 16.514 -5.031 1.00 34.04 C ATOM 650 OG SER A 46 10.422 17.295 -3.987 1.00 74.24 O ATOM 0 H SER A 46 7.866 17.280 -3.903 1.00 63.12 H new ATOM 0 HA SER A 46 9.213 18.193 -6.214 1.00 4.43 H new ATOM 0 HB2 SER A 46 9.428 15.600 -4.618 1.00 34.04 H new ATOM 0 HB3 SER A 46 10.634 16.214 -5.732 1.00 34.04 H new ATOM 0 HG SER A 46 11.111 16.773 -3.526 1.00 74.24 H new ATOM 656 N ARG A 47 8.944 16.384 -8.025 1.00 23.33 N ATOM 657 CA ARG A 47 8.576 15.558 -9.194 1.00 72.12 C ATOM 658 C ARG A 47 8.315 14.120 -8.770 1.00 25.35 C ATOM 659 O ARG A 47 7.388 13.462 -9.237 1.00 60.11 O ATOM 660 CB ARG A 47 9.658 15.639 -10.282 1.00 51.44 C ATOM 661 CG ARG A 47 11.070 15.334 -9.797 1.00 4.15 C ATOM 662 CD ARG A 47 12.093 15.489 -10.898 1.00 63.11 C ATOM 663 NE ARG A 47 13.448 15.224 -10.421 1.00 74.52 N ATOM 664 CZ ARG A 47 14.573 15.624 -11.028 1.00 22.11 C ATOM 665 NH1 ARG A 47 14.511 16.333 -12.161 1.00 42.30 N ATOM 666 NH2 ARG A 47 15.755 15.309 -10.501 1.00 33.14 N ATOM 0 H ARG A 47 9.831 16.876 -8.133 1.00 23.33 H new ATOM 0 HA ARG A 47 7.653 15.951 -9.621 1.00 72.12 H new ATOM 0 HB2 ARG A 47 9.404 14.942 -11.081 1.00 51.44 H new ATOM 0 HB3 ARG A 47 9.645 16.639 -10.715 1.00 51.44 H new ATOM 0 HG2 ARG A 47 11.322 16.000 -8.972 1.00 4.15 H new ATOM 0 HG3 ARG A 47 11.108 14.317 -9.408 1.00 4.15 H new ATOM 0 HD2 ARG A 47 11.855 14.807 -11.714 1.00 63.11 H new ATOM 0 HD3 ARG A 47 12.041 16.500 -11.303 1.00 63.11 H new ATOM 0 HE ARG A 47 13.545 14.692 -9.556 1.00 74.52 H new ATOM 0 HH11 ARG A 47 13.605 16.571 -12.565 1.00 42.30 H new ATOM 0 HH12 ARG A 47 15.370 16.636 -12.621 1.00 42.30 H new ATOM 0 HH21 ARG A 47 15.801 14.766 -9.639 1.00 33.14 H new ATOM 0 HH22 ARG A 47 16.615 15.611 -10.959 1.00 33.14 H new ATOM 680 N ARG A 48 9.141 13.668 -7.888 1.00 30.50 N ATOM 681 CA ARG A 48 8.988 12.437 -7.212 1.00 70.12 C ATOM 682 C ARG A 48 9.140 12.820 -5.791 1.00 32.13 C ATOM 683 O ARG A 48 10.219 13.202 -5.394 1.00 32.24 O ATOM 684 CB ARG A 48 10.098 11.458 -7.569 1.00 51.32 C ATOM 685 CG ARG A 48 10.178 11.046 -9.020 1.00 22.15 C ATOM 686 CD ARG A 48 11.386 10.160 -9.211 1.00 42.14 C ATOM 687 NE ARG A 48 11.547 9.682 -10.573 1.00 5.30 N ATOM 688 CZ ARG A 48 12.322 8.657 -10.919 1.00 54.42 C ATOM 689 NH1 ARG A 48 12.949 7.939 -9.985 1.00 52.44 N ATOM 690 NH2 ARG A 48 12.445 8.341 -12.189 1.00 45.53 N ATOM 0 H ARG A 48 9.980 14.177 -7.610 1.00 30.50 H new ATOM 0 HA ARG A 48 8.046 11.949 -7.460 1.00 70.12 H new ATOM 0 HB2 ARG A 48 11.052 11.902 -7.285 1.00 51.32 H new ATOM 0 HB3 ARG A 48 9.972 10.560 -6.964 1.00 51.32 H new ATOM 0 HG2 ARG A 48 9.272 10.516 -9.312 1.00 22.15 H new ATOM 0 HG3 ARG A 48 10.252 11.926 -9.658 1.00 22.15 H new ATOM 0 HD2 ARG A 48 12.280 10.711 -8.920 1.00 42.14 H new ATOM 0 HD3 ARG A 48 11.308 9.304 -8.541 1.00 42.14 H new ATOM 0 HE ARG A 48 11.033 10.163 -11.312 1.00 5.30 H new ATOM 0 HH11 ARG A 48 12.836 8.175 -8.999 1.00 52.44 H new ATOM 0 HH12 ARG A 48 13.542 7.155 -10.257 1.00 52.44 H new ATOM 0 HH21 ARG A 48 11.949 8.880 -12.899 1.00 45.53 H new ATOM 0 HH22 ARG A 48 13.037 7.557 -12.465 1.00 45.53 H new ATOM 704 N HIS A 49 8.085 12.830 -5.068 1.00 25.13 N ATOM 705 CA HIS A 49 8.146 13.250 -3.690 1.00 2.31 C ATOM 706 C HIS A 49 8.220 12.041 -2.813 1.00 33.21 C ATOM 707 O HIS A 49 8.951 12.007 -1.844 1.00 51.14 O ATOM 708 CB HIS A 49 6.921 14.119 -3.330 1.00 1.02 C ATOM 709 CG HIS A 49 6.920 14.655 -1.921 1.00 23.32 C ATOM 710 ND1 HIS A 49 7.291 15.945 -1.647 1.00 40.43 N ATOM 711 CD2 HIS A 49 6.603 14.029 -0.763 1.00 23.21 C ATOM 712 CE1 HIS A 49 7.202 16.070 -0.336 1.00 23.43 C ATOM 713 NE2 HIS A 49 6.790 14.929 0.245 1.00 15.02 N ATOM 0 H HIS A 49 7.158 12.554 -5.393 1.00 25.13 H new ATOM 0 HA HIS A 49 9.037 13.859 -3.536 1.00 2.31 H new ATOM 0 HB2 HIS A 49 6.872 14.959 -4.023 1.00 1.02 H new ATOM 0 HB3 HIS A 49 6.017 13.528 -3.480 1.00 1.02 H new ATOM 0 HD2 HIS A 49 6.265 13.009 -0.657 1.00 23.21 H new ATOM 0 HE1 HIS A 49 7.432 16.977 0.204 1.00 23.43 H new ATOM 0 HE2 HIS A 49 6.646 14.768 1.242 1.00 15.02 H new ATOM 721 N LEU A 50 7.484 11.040 -3.174 1.00 64.12 N ATOM 722 CA LEU A 50 7.411 9.854 -2.393 1.00 23.41 C ATOM 723 C LEU A 50 6.853 8.739 -3.252 1.00 3.35 C ATOM 724 O LEU A 50 6.123 9.001 -4.207 1.00 74.24 O ATOM 725 CB LEU A 50 6.571 10.170 -1.116 1.00 45.43 C ATOM 726 CG LEU A 50 6.153 9.042 -0.167 1.00 24.14 C ATOM 727 CD1 LEU A 50 5.862 9.636 1.202 1.00 73.14 C ATOM 728 CD2 LEU A 50 4.888 8.361 -0.674 1.00 65.20 C ATOM 0 H LEU A 50 6.916 11.025 -4.021 1.00 64.12 H new ATOM 0 HA LEU A 50 8.388 9.511 -2.052 1.00 23.41 H new ATOM 0 HB2 LEU A 50 7.137 10.893 -0.528 1.00 45.43 H new ATOM 0 HB3 LEU A 50 5.660 10.670 -1.445 1.00 45.43 H new ATOM 0 HG LEU A 50 6.959 8.310 -0.111 1.00 24.14 H new ATOM 0 HD11 LEU A 50 5.563 8.842 1.887 1.00 73.14 H new ATOM 0 HD12 LEU A 50 6.757 10.127 1.584 1.00 73.14 H new ATOM 0 HD13 LEU A 50 5.056 10.365 1.118 1.00 73.14 H new ATOM 0 HD21 LEU A 50 4.605 7.562 0.012 1.00 65.20 H new ATOM 0 HD22 LEU A 50 4.081 9.091 -0.734 1.00 65.20 H new ATOM 0 HD23 LEU A 50 5.072 7.942 -1.663 1.00 65.20 H new ATOM 740 N GLU A 51 7.245 7.533 -2.964 1.00 33.14 N ATOM 741 CA GLU A 51 6.773 6.378 -3.679 1.00 63.20 C ATOM 742 C GLU A 51 6.275 5.342 -2.711 1.00 74.11 C ATOM 743 O GLU A 51 6.894 5.090 -1.658 1.00 24.42 O ATOM 744 CB GLU A 51 7.875 5.779 -4.578 1.00 74.41 C ATOM 745 CG GLU A 51 9.165 5.422 -3.848 1.00 14.12 C ATOM 746 CD GLU A 51 10.212 4.795 -4.743 1.00 70.54 C ATOM 747 OE1 GLU A 51 10.730 5.473 -5.657 1.00 21.41 O ATOM 748 OE2 GLU A 51 10.561 3.619 -4.539 1.00 2.03 O ATOM 0 H GLU A 51 7.908 7.318 -2.219 1.00 33.14 H new ATOM 0 HA GLU A 51 5.953 6.695 -4.324 1.00 63.20 H new ATOM 0 HB2 GLU A 51 7.485 4.882 -5.059 1.00 74.41 H new ATOM 0 HB3 GLU A 51 8.106 6.491 -5.370 1.00 74.41 H new ATOM 0 HG2 GLU A 51 9.578 6.323 -3.395 1.00 14.12 H new ATOM 0 HG3 GLU A 51 8.934 4.734 -3.035 1.00 14.12 H new ATOM 755 N ILE A 52 5.153 4.790 -3.021 1.00 74.22 N ATOM 756 CA ILE A 52 4.613 3.719 -2.262 1.00 52.20 C ATOM 757 C ILE A 52 4.697 2.485 -3.117 1.00 62.51 C ATOM 758 O ILE A 52 4.174 2.463 -4.225 1.00 62.41 O ATOM 759 CB ILE A 52 3.138 3.956 -1.866 1.00 64.42 C ATOM 760 CG1 ILE A 52 2.994 5.236 -1.028 1.00 50.34 C ATOM 761 CG2 ILE A 52 2.615 2.747 -1.101 1.00 14.22 C ATOM 762 CD1 ILE A 52 1.565 5.578 -0.646 1.00 11.43 C ATOM 0 H ILE A 52 4.580 5.073 -3.816 1.00 74.22 H new ATOM 0 HA ILE A 52 5.180 3.624 -1.336 1.00 52.20 H new ATOM 0 HB ILE A 52 2.546 4.087 -2.772 1.00 64.42 H new ATOM 0 HG12 ILE A 52 3.585 5.128 -0.118 1.00 50.34 H new ATOM 0 HG13 ILE A 52 3.418 6.071 -1.586 1.00 50.34 H new ATOM 0 HG21 ILE A 52 1.575 2.915 -0.822 1.00 14.22 H new ATOM 0 HG22 ILE A 52 2.683 1.860 -1.731 1.00 14.22 H new ATOM 0 HG23 ILE A 52 3.212 2.599 -0.201 1.00 14.22 H new ATOM 0 HD11 ILE A 52 1.555 6.495 -0.056 1.00 11.43 H new ATOM 0 HD12 ILE A 52 0.971 5.721 -1.549 1.00 11.43 H new ATOM 0 HD13 ILE A 52 1.141 4.764 -0.058 1.00 11.43 H new ATOM 774 N ARG A 53 5.377 1.499 -2.651 1.00 73.34 N ATOM 775 CA ARG A 53 5.517 0.278 -3.382 1.00 5.23 C ATOM 776 C ARG A 53 4.784 -0.821 -2.685 1.00 34.35 C ATOM 777 O ARG A 53 5.146 -1.225 -1.579 1.00 54.00 O ATOM 778 CB ARG A 53 6.984 -0.060 -3.611 1.00 5.32 C ATOM 779 CG ARG A 53 7.237 -1.410 -4.268 1.00 53.31 C ATOM 780 CD ARG A 53 8.672 -1.508 -4.757 1.00 72.32 C ATOM 781 NE ARG A 53 8.894 -0.633 -5.915 1.00 71.22 N ATOM 782 CZ ARG A 53 9.481 0.572 -5.901 1.00 30.45 C ATOM 783 NH1 ARG A 53 10.009 1.060 -4.785 1.00 71.31 N ATOM 784 NH2 ARG A 53 9.555 1.268 -7.018 1.00 41.34 N ATOM 0 H ARG A 53 5.856 1.510 -1.750 1.00 73.34 H new ATOM 0 HA ARG A 53 5.070 0.402 -4.368 1.00 5.23 H new ATOM 0 HB2 ARG A 53 7.428 0.718 -4.231 1.00 5.32 H new ATOM 0 HB3 ARG A 53 7.501 -0.037 -2.652 1.00 5.32 H new ATOM 0 HG2 ARG A 53 7.035 -2.210 -3.556 1.00 53.31 H new ATOM 0 HG3 ARG A 53 6.552 -1.547 -5.105 1.00 53.31 H new ATOM 0 HD2 ARG A 53 9.354 -1.232 -3.952 1.00 72.32 H new ATOM 0 HD3 ARG A 53 8.898 -2.539 -5.027 1.00 72.32 H new ATOM 0 HE ARG A 53 8.570 -0.976 -6.819 1.00 71.22 H new ATOM 0 HH11 ARG A 53 9.971 0.516 -3.923 1.00 71.31 H new ATOM 0 HH12 ARG A 53 10.452 1.979 -4.790 1.00 71.31 H new ATOM 0 HH21 ARG A 53 9.168 0.889 -7.882 1.00 41.34 H new ATOM 0 HH22 ARG A 53 10.000 2.186 -7.018 1.00 41.34 H new ATOM 798 N TRP A 54 3.743 -1.269 -3.299 1.00 51.22 N ATOM 799 CA TRP A 54 2.939 -2.288 -2.736 1.00 60.10 C ATOM 800 C TRP A 54 3.198 -3.622 -3.424 1.00 31.43 C ATOM 801 O TRP A 54 2.957 -3.782 -4.627 1.00 33.15 O ATOM 802 CB TRP A 54 1.452 -1.888 -2.777 1.00 53.13 C ATOM 803 CG TRP A 54 0.508 -2.996 -2.373 1.00 54.11 C ATOM 804 CD1 TRP A 54 -0.506 -3.524 -3.114 1.00 74.54 C ATOM 805 CD2 TRP A 54 0.523 -3.733 -1.149 1.00 42.42 C ATOM 806 NE1 TRP A 54 -1.118 -4.533 -2.422 1.00 13.51 N ATOM 807 CE2 TRP A 54 -0.504 -4.682 -1.220 1.00 74.01 C ATOM 808 CE3 TRP A 54 1.303 -3.683 -0.005 1.00 21.11 C ATOM 809 CZ2 TRP A 54 -0.764 -5.570 -0.192 1.00 40.55 C ATOM 810 CZ3 TRP A 54 1.043 -4.565 1.014 1.00 72.33 C ATOM 811 CH2 TRP A 54 0.020 -5.495 0.914 1.00 54.53 C ATOM 0 H TRP A 54 3.428 -0.935 -4.210 1.00 51.22 H new ATOM 0 HA TRP A 54 3.211 -2.413 -1.688 1.00 60.10 H new ATOM 0 HB2 TRP A 54 1.297 -1.034 -2.118 1.00 53.13 H new ATOM 0 HB3 TRP A 54 1.202 -1.561 -3.786 1.00 53.13 H new ATOM 0 HD1 TRP A 54 -0.786 -3.194 -4.104 1.00 74.54 H new ATOM 0 HE1 TRP A 54 -1.908 -5.085 -2.755 1.00 13.51 H new ATOM 0 HE3 TRP A 54 2.102 -2.962 0.083 1.00 21.11 H new ATOM 0 HZ2 TRP A 54 -1.560 -6.296 -0.266 1.00 40.55 H new ATOM 0 HZ3 TRP A 54 1.646 -4.534 1.909 1.00 72.33 H new ATOM 0 HH2 TRP A 54 -0.157 -6.175 1.734 1.00 54.53 H new ATOM 822 N ASP A 55 3.712 -4.547 -2.662 1.00 51.22 N ATOM 823 CA ASP A 55 3.981 -5.892 -3.134 1.00 43.11 C ATOM 824 C ASP A 55 3.111 -6.818 -2.297 1.00 13.12 C ATOM 825 O ASP A 55 2.541 -6.371 -1.305 1.00 64.34 O ATOM 826 CB ASP A 55 5.473 -6.226 -2.930 1.00 13.23 C ATOM 827 CG ASP A 55 5.937 -7.466 -3.680 1.00 63.24 C ATOM 828 OD1 ASP A 55 5.779 -8.593 -3.179 1.00 63.22 O ATOM 829 OD2 ASP A 55 6.495 -7.329 -4.788 1.00 74.42 O ATOM 0 H ASP A 55 3.961 -4.395 -1.685 1.00 51.22 H new ATOM 0 HA ASP A 55 3.760 -6.000 -4.196 1.00 43.11 H new ATOM 0 HB2 ASP A 55 6.073 -5.374 -3.251 1.00 13.23 H new ATOM 0 HB3 ASP A 55 5.661 -6.366 -1.866 1.00 13.23 H new ATOM 834 N GLY A 56 3.039 -8.082 -2.634 1.00 43.22 N ATOM 835 CA GLY A 56 2.183 -9.002 -1.906 1.00 32.32 C ATOM 836 C GLY A 56 2.800 -9.481 -0.602 1.00 64.20 C ATOM 837 O GLY A 56 2.924 -10.685 -0.376 1.00 14.20 O ATOM 0 H GLY A 56 3.559 -8.502 -3.405 1.00 43.22 H new ATOM 0 HA2 GLY A 56 1.232 -8.514 -1.694 1.00 32.32 H new ATOM 0 HA3 GLY A 56 1.965 -9.864 -2.537 1.00 32.32 H new ATOM 841 N GLN A 57 3.213 -8.534 0.227 1.00 64.24 N ATOM 842 CA GLN A 57 3.777 -8.780 1.538 1.00 62.03 C ATOM 843 C GLN A 57 3.454 -7.592 2.439 1.00 22.33 C ATOM 844 O GLN A 57 2.514 -7.630 3.224 1.00 43.33 O ATOM 845 CB GLN A 57 5.306 -8.970 1.491 1.00 75.02 C ATOM 846 CG GLN A 57 5.800 -10.192 0.742 1.00 65.22 C ATOM 847 CD GLN A 57 7.298 -10.315 0.785 1.00 24.41 C ATOM 848 OE1 GLN A 57 8.000 -9.785 -0.074 1.00 52.24 O ATOM 849 NE2 GLN A 57 7.799 -11.010 1.759 1.00 40.30 N ATOM 0 H GLN A 57 3.161 -7.542 -0.006 1.00 64.24 H new ATOM 0 HA GLN A 57 3.341 -9.702 1.923 1.00 62.03 H new ATOM 0 HB2 GLN A 57 5.749 -8.085 1.034 1.00 75.02 H new ATOM 0 HB3 GLN A 57 5.678 -9.020 2.514 1.00 75.02 H new ATOM 0 HG2 GLN A 57 5.351 -11.087 1.173 1.00 65.22 H new ATOM 0 HG3 GLN A 57 5.471 -10.138 -0.296 1.00 65.22 H new ATOM 0 HE21 GLN A 57 7.183 -11.434 2.452 1.00 40.30 H new ATOM 0 HE22 GLN A 57 8.809 -11.132 1.831 1.00 40.30 H new ATOM 858 N VAL A 58 4.208 -6.519 2.269 1.00 60.22 N ATOM 859 CA VAL A 58 4.063 -5.300 3.051 1.00 33.22 C ATOM 860 C VAL A 58 4.234 -4.109 2.125 1.00 23.24 C ATOM 861 O VAL A 58 4.783 -4.253 1.024 1.00 4.33 O ATOM 862 CB VAL A 58 5.091 -5.193 4.230 1.00 62.15 C ATOM 863 CG1 VAL A 58 4.872 -6.286 5.269 1.00 35.32 C ATOM 864 CG2 VAL A 58 6.527 -5.227 3.718 1.00 63.21 C ATOM 0 H VAL A 58 4.951 -6.468 1.572 1.00 60.22 H new ATOM 0 HA VAL A 58 3.071 -5.317 3.503 1.00 33.22 H new ATOM 0 HB VAL A 58 4.922 -4.231 4.713 1.00 62.15 H new ATOM 0 HG11 VAL A 58 5.603 -6.178 6.070 1.00 35.32 H new ATOM 0 HG12 VAL A 58 3.867 -6.200 5.682 1.00 35.32 H new ATOM 0 HG13 VAL A 58 4.989 -7.263 4.800 1.00 35.32 H new ATOM 0 HG21 VAL A 58 7.215 -5.151 4.560 1.00 63.21 H new ATOM 0 HG22 VAL A 58 6.703 -6.164 3.189 1.00 63.21 H new ATOM 0 HG23 VAL A 58 6.691 -4.391 3.039 1.00 63.21 H new ATOM 874 N ALA A 59 3.749 -2.965 2.535 1.00 45.42 N ATOM 875 CA ALA A 59 3.840 -1.781 1.716 1.00 11.21 C ATOM 876 C ALA A 59 5.091 -0.997 2.052 1.00 43.42 C ATOM 877 O ALA A 59 5.302 -0.575 3.200 1.00 2.40 O ATOM 878 CB ALA A 59 2.596 -0.926 1.857 1.00 24.51 C ATOM 0 H ALA A 59 3.286 -2.827 3.433 1.00 45.42 H new ATOM 0 HA ALA A 59 3.908 -2.089 0.673 1.00 11.21 H new ATOM 0 HB1 ALA A 59 2.690 -0.040 1.229 1.00 24.51 H new ATOM 0 HB2 ALA A 59 1.723 -1.500 1.546 1.00 24.51 H new ATOM 0 HB3 ALA A 59 2.479 -0.623 2.897 1.00 24.51 H new ATOM 884 N LEU A 60 5.911 -0.826 1.063 1.00 65.02 N ATOM 885 CA LEU A 60 7.161 -0.131 1.188 1.00 70.25 C ATOM 886 C LEU A 60 6.919 1.354 0.922 1.00 15.43 C ATOM 887 O LEU A 60 6.236 1.715 -0.038 1.00 51.31 O ATOM 888 CB LEU A 60 8.170 -0.773 0.193 1.00 33.52 C ATOM 889 CG LEU A 60 9.631 -0.264 0.144 1.00 42.04 C ATOM 890 CD1 LEU A 60 10.478 -1.280 -0.595 1.00 33.02 C ATOM 891 CD2 LEU A 60 9.735 1.073 -0.586 1.00 33.10 C ATOM 0 H LEU A 60 5.728 -1.173 0.121 1.00 65.02 H new ATOM 0 HA LEU A 60 7.584 -0.215 2.189 1.00 70.25 H new ATOM 0 HB2 LEU A 60 8.205 -1.841 0.409 1.00 33.52 H new ATOM 0 HB3 LEU A 60 7.754 -0.663 -0.808 1.00 33.52 H new ATOM 0 HG LEU A 60 9.978 -0.128 1.168 1.00 42.04 H new ATOM 0 HD11 LEU A 60 11.510 -0.932 -0.636 1.00 33.02 H new ATOM 0 HD12 LEU A 60 10.438 -2.236 -0.073 1.00 33.02 H new ATOM 0 HD13 LEU A 60 10.096 -1.404 -1.608 1.00 33.02 H new ATOM 0 HD21 LEU A 60 10.775 1.400 -0.601 1.00 33.10 H new ATOM 0 HD22 LEU A 60 9.376 0.958 -1.609 1.00 33.10 H new ATOM 0 HD23 LEU A 60 9.128 1.817 -0.070 1.00 33.10 H new ATOM 903 N LEU A 61 7.456 2.188 1.768 1.00 64.11 N ATOM 904 CA LEU A 61 7.282 3.615 1.673 1.00 20.32 C ATOM 905 C LEU A 61 8.660 4.258 1.560 1.00 70.34 C ATOM 906 O LEU A 61 9.537 4.012 2.396 1.00 5.04 O ATOM 907 CB LEU A 61 6.521 4.087 2.953 1.00 65.45 C ATOM 908 CG LEU A 61 6.060 5.566 3.103 1.00 65.23 C ATOM 909 CD1 LEU A 61 7.210 6.565 3.212 1.00 24.52 C ATOM 910 CD2 LEU A 61 5.115 5.940 1.985 1.00 51.33 C ATOM 0 H LEU A 61 8.035 1.894 2.555 1.00 64.11 H new ATOM 0 HA LEU A 61 6.701 3.903 0.797 1.00 20.32 H new ATOM 0 HB2 LEU A 61 5.632 3.463 3.046 1.00 65.45 H new ATOM 0 HB3 LEU A 61 7.160 3.862 3.807 1.00 65.45 H new ATOM 0 HG LEU A 61 5.533 5.626 4.055 1.00 65.23 H new ATOM 0 HD11 LEU A 61 6.808 7.573 3.314 1.00 24.52 H new ATOM 0 HD12 LEU A 61 7.817 6.327 4.085 1.00 24.52 H new ATOM 0 HD13 LEU A 61 7.827 6.509 2.315 1.00 24.52 H new ATOM 0 HD21 LEU A 61 4.802 6.977 2.105 1.00 51.33 H new ATOM 0 HD22 LEU A 61 5.620 5.822 1.027 1.00 51.33 H new ATOM 0 HD23 LEU A 61 4.240 5.291 2.016 1.00 51.33 H new ATOM 922 N ALA A 62 8.860 5.052 0.530 1.00 62.02 N ATOM 923 CA ALA A 62 10.112 5.764 0.358 1.00 24.41 C ATOM 924 C ALA A 62 9.851 7.227 0.038 1.00 74.11 C ATOM 925 O ALA A 62 8.979 7.546 -0.771 1.00 23.32 O ATOM 926 CB ALA A 62 10.972 5.114 -0.716 1.00 22.32 C ATOM 0 H ALA A 62 8.172 5.222 -0.203 1.00 62.02 H new ATOM 0 HA ALA A 62 10.664 5.712 1.296 1.00 24.41 H new ATOM 0 HB1 ALA A 62 11.904 5.670 -0.822 1.00 22.32 H new ATOM 0 HB2 ALA A 62 11.194 4.085 -0.432 1.00 22.32 H new ATOM 0 HB3 ALA A 62 10.436 5.120 -1.665 1.00 22.32 H new ATOM 932 N ASP A 63 10.594 8.089 0.679 1.00 14.22 N ATOM 933 CA ASP A 63 10.466 9.537 0.541 1.00 52.13 C ATOM 934 C ASP A 63 11.610 10.084 -0.310 1.00 44.50 C ATOM 935 O ASP A 63 12.795 9.915 0.028 1.00 51.55 O ATOM 936 CB ASP A 63 10.461 10.175 1.954 1.00 51.14 C ATOM 937 CG ASP A 63 10.542 11.698 1.983 1.00 30.12 C ATOM 938 OD1 ASP A 63 9.507 12.382 1.790 1.00 65.01 O ATOM 939 OD2 ASP A 63 11.628 12.223 2.270 1.00 24.43 O ATOM 0 H ASP A 63 11.327 7.809 1.331 1.00 14.22 H new ATOM 0 HA ASP A 63 9.532 9.786 0.038 1.00 52.13 H new ATOM 0 HB2 ASP A 63 9.552 9.866 2.471 1.00 51.14 H new ATOM 0 HB3 ASP A 63 11.301 9.772 2.519 1.00 51.14 H new ATOM 944 N LEU A 64 11.262 10.690 -1.423 1.00 33.25 N ATOM 945 CA LEU A 64 12.227 11.290 -2.348 1.00 22.50 C ATOM 946 C LEU A 64 12.165 12.781 -2.107 1.00 63.01 C ATOM 947 O LEU A 64 11.558 13.527 -2.887 1.00 41.21 O ATOM 948 CB LEU A 64 11.836 11.027 -3.830 1.00 24.13 C ATOM 949 CG LEU A 64 11.845 9.595 -4.398 1.00 40.21 C ATOM 950 CD1 LEU A 64 13.215 8.955 -4.290 1.00 22.14 C ATOM 951 CD2 LEU A 64 10.778 8.713 -3.773 1.00 74.43 C ATOM 0 H LEU A 64 10.292 10.787 -1.725 1.00 33.25 H new ATOM 0 HA LEU A 64 13.217 10.866 -2.179 1.00 22.50 H new ATOM 0 HB2 LEU A 64 10.831 11.424 -3.973 1.00 24.13 H new ATOM 0 HB3 LEU A 64 12.505 11.623 -4.450 1.00 24.13 H new ATOM 0 HG LEU A 64 11.602 9.686 -5.457 1.00 40.21 H new ATOM 0 HD11 LEU A 64 13.179 7.946 -4.701 1.00 22.14 H new ATOM 0 HD12 LEU A 64 13.939 9.549 -4.848 1.00 22.14 H new ATOM 0 HD13 LEU A 64 13.514 8.909 -3.243 1.00 22.14 H new ATOM 0 HD21 LEU A 64 10.829 7.715 -4.209 1.00 74.43 H new ATOM 0 HD22 LEU A 64 10.944 8.648 -2.698 1.00 74.43 H new ATOM 0 HD23 LEU A 64 9.794 9.142 -3.963 1.00 74.43 H new ATOM 963 N ASN A 65 12.788 13.215 -1.053 1.00 63.41 N ATOM 964 CA ASN A 65 12.542 14.539 -0.546 1.00 44.13 C ATOM 965 C ASN A 65 13.504 14.853 0.586 1.00 21.40 C ATOM 966 O ASN A 65 13.719 14.042 1.477 1.00 45.53 O ATOM 967 CB ASN A 65 11.093 14.506 -0.069 1.00 32.42 C ATOM 968 CG ASN A 65 10.634 15.571 0.846 1.00 44.25 C ATOM 969 OD1 ASN A 65 11.076 16.738 0.819 1.00 55.31 O ATOM 970 ND2 ASN A 65 9.744 15.162 1.703 1.00 54.53 N ATOM 0 H ASN A 65 13.472 12.674 -0.524 1.00 63.41 H new ATOM 0 HA ASN A 65 12.696 15.317 -1.293 1.00 44.13 H new ATOM 0 HB2 ASN A 65 10.452 14.525 -0.950 1.00 32.42 H new ATOM 0 HB3 ASN A 65 10.927 13.549 0.425 1.00 32.42 H new ATOM 0 HD21 ASN A 65 9.372 15.808 2.399 1.00 54.53 H new ATOM 0 HD22 ASN A 65 9.419 14.196 1.678 1.00 54.53 H new ATOM 977 N SER A 66 14.122 15.992 0.520 1.00 70.02 N ATOM 978 CA SER A 66 15.077 16.363 1.521 1.00 54.23 C ATOM 979 C SER A 66 14.569 17.476 2.457 1.00 41.35 C ATOM 980 O SER A 66 14.728 17.394 3.674 1.00 2.45 O ATOM 981 CB SER A 66 16.365 16.801 0.840 1.00 24.04 C ATOM 982 OG SER A 66 16.839 15.800 -0.058 1.00 53.13 O ATOM 0 H SER A 66 13.983 16.683 -0.218 1.00 70.02 H new ATOM 0 HA SER A 66 15.251 15.489 2.148 1.00 54.23 H new ATOM 0 HB2 SER A 66 16.194 17.730 0.296 1.00 24.04 H new ATOM 0 HB3 SER A 66 17.126 17.008 1.593 1.00 24.04 H new ATOM 0 HG SER A 66 17.667 16.108 -0.483 1.00 53.13 H new ATOM 988 N THR A 67 13.936 18.491 1.904 1.00 51.22 N ATOM 989 CA THR A 67 13.607 19.667 2.689 1.00 43.23 C ATOM 990 C THR A 67 12.235 19.572 3.406 1.00 30.42 C ATOM 991 O THR A 67 12.033 20.166 4.473 1.00 35.43 O ATOM 992 CB THR A 67 13.729 20.965 1.828 1.00 50.42 C ATOM 993 OG1 THR A 67 13.527 22.135 2.631 1.00 33.32 O ATOM 994 CG2 THR A 67 12.740 20.956 0.658 1.00 61.31 C ATOM 0 H THR A 67 13.642 18.528 0.928 1.00 51.22 H new ATOM 0 HA THR A 67 14.345 19.719 3.490 1.00 43.23 H new ATOM 0 HB THR A 67 14.740 20.989 1.421 1.00 50.42 H new ATOM 0 HG1 THR A 67 13.610 22.935 2.071 1.00 33.32 H new ATOM 0 HG21 THR A 67 12.852 21.873 0.080 1.00 61.31 H new ATOM 0 HG22 THR A 67 12.941 20.097 0.018 1.00 61.31 H new ATOM 0 HG23 THR A 67 11.722 20.891 1.042 1.00 61.31 H new ATOM 1002 N ASN A 68 11.340 18.792 2.861 1.00 72.02 N ATOM 1003 CA ASN A 68 9.981 18.646 3.388 1.00 52.30 C ATOM 1004 C ASN A 68 9.783 17.235 3.858 1.00 74.32 C ATOM 1005 O ASN A 68 8.668 16.707 3.792 1.00 65.42 O ATOM 1006 CB ASN A 68 8.920 19.005 2.320 1.00 74.34 C ATOM 1007 CG ASN A 68 8.763 20.502 2.072 1.00 62.23 C ATOM 1008 OD1 ASN A 68 9.697 21.291 2.237 1.00 72.15 O ATOM 1009 ND2 ASN A 68 7.585 20.904 1.677 1.00 3.34 N ATOM 0 H ASN A 68 11.521 18.229 2.030 1.00 72.02 H new ATOM 0 HA ASN A 68 9.856 19.336 4.223 1.00 52.30 H new ATOM 0 HB2 ASN A 68 9.187 18.519 1.382 1.00 74.34 H new ATOM 0 HB3 ASN A 68 7.958 18.596 2.629 1.00 74.34 H new ATOM 0 HD21 ASN A 68 7.418 21.894 1.496 1.00 3.34 H new ATOM 0 HD22 ASN A 68 6.832 20.228 1.549 1.00 3.34 H new ATOM 1016 N GLY A 69 10.895 16.619 4.308 1.00 1.21 N ATOM 1017 CA GLY A 69 10.965 15.186 4.636 1.00 22.11 C ATOM 1018 C GLY A 69 9.760 14.653 5.385 1.00 0.30 C ATOM 1019 O GLY A 69 9.316 15.227 6.394 1.00 40.15 O ATOM 0 H GLY A 69 11.777 17.110 4.454 1.00 1.21 H new ATOM 0 HA2 GLY A 69 11.082 14.620 3.712 1.00 22.11 H new ATOM 0 HA3 GLY A 69 11.858 15.007 5.235 1.00 22.11 H new ATOM 1023 N THR A 70 9.211 13.601 4.843 1.00 74.01 N ATOM 1024 CA THR A 70 8.016 12.975 5.332 1.00 41.15 C ATOM 1025 C THR A 70 8.208 12.322 6.723 1.00 12.13 C ATOM 1026 O THR A 70 9.240 11.683 7.006 1.00 74.54 O ATOM 1027 CB THR A 70 7.535 11.952 4.282 1.00 4.33 C ATOM 1028 OG1 THR A 70 7.282 12.644 3.045 1.00 32.54 O ATOM 1029 CG2 THR A 70 6.278 11.233 4.718 1.00 74.21 C ATOM 0 H THR A 70 9.598 13.141 4.019 1.00 74.01 H new ATOM 0 HA THR A 70 7.254 13.741 5.477 1.00 41.15 H new ATOM 0 HB THR A 70 8.316 11.201 4.159 1.00 4.33 H new ATOM 0 HG1 THR A 70 7.895 12.315 2.355 1.00 32.54 H new ATOM 0 HG21 THR A 70 5.978 10.524 3.947 1.00 74.21 H new ATOM 0 HG22 THR A 70 6.469 10.698 5.648 1.00 74.21 H new ATOM 0 HG23 THR A 70 5.479 11.958 4.874 1.00 74.21 H new ATOM 1037 N THR A 71 7.234 12.524 7.585 1.00 11.01 N ATOM 1038 CA THR A 71 7.247 11.965 8.894 1.00 64.55 C ATOM 1039 C THR A 71 6.238 10.842 9.006 1.00 22.31 C ATOM 1040 O THR A 71 5.131 10.927 8.473 1.00 30.25 O ATOM 1041 CB THR A 71 6.925 13.038 9.947 1.00 52.04 C ATOM 1042 OG1 THR A 71 5.781 13.793 9.544 1.00 20.14 O ATOM 1043 CG2 THR A 71 8.088 13.958 10.157 1.00 45.22 C ATOM 0 H THR A 71 6.409 13.088 7.382 1.00 11.01 H new ATOM 0 HA THR A 71 8.247 11.571 9.076 1.00 64.55 H new ATOM 0 HB THR A 71 6.714 12.531 10.889 1.00 52.04 H new ATOM 0 HG1 THR A 71 5.160 13.874 10.298 1.00 20.14 H new ATOM 0 HG21 THR A 71 7.830 14.706 10.907 1.00 45.22 H new ATOM 0 HG22 THR A 71 8.949 13.384 10.499 1.00 45.22 H new ATOM 0 HG23 THR A 71 8.333 14.455 9.218 1.00 45.22 H new ATOM 1051 N VAL A 72 6.614 9.815 9.691 1.00 74.35 N ATOM 1052 CA VAL A 72 5.762 8.694 9.948 1.00 23.24 C ATOM 1053 C VAL A 72 5.559 8.605 11.454 1.00 1.22 C ATOM 1054 O VAL A 72 6.510 8.514 12.221 1.00 51.10 O ATOM 1055 CB VAL A 72 6.350 7.390 9.363 1.00 33.44 C ATOM 1056 CG1 VAL A 72 6.412 7.483 7.843 1.00 13.11 C ATOM 1057 CG2 VAL A 72 7.742 7.133 9.916 1.00 23.23 C ATOM 0 H VAL A 72 7.544 9.726 10.099 1.00 74.35 H new ATOM 0 HA VAL A 72 4.799 8.830 9.455 1.00 23.24 H new ATOM 0 HB VAL A 72 5.702 6.562 9.650 1.00 33.44 H new ATOM 0 HG11 VAL A 72 6.828 6.560 7.439 1.00 13.11 H new ATOM 0 HG12 VAL A 72 5.408 7.633 7.446 1.00 13.11 H new ATOM 0 HG13 VAL A 72 7.045 8.322 7.555 1.00 13.11 H new ATOM 0 HG21 VAL A 72 8.138 6.210 9.491 1.00 23.23 H new ATOM 0 HG22 VAL A 72 8.397 7.964 9.653 1.00 23.23 H new ATOM 0 HG23 VAL A 72 7.691 7.041 11.001 1.00 23.23 H new ATOM 1067 N ASN A 73 4.332 8.759 11.867 1.00 1.42 N ATOM 1068 CA ASN A 73 3.964 8.863 13.283 1.00 11.03 C ATOM 1069 C ASN A 73 4.691 10.025 13.946 1.00 53.31 C ATOM 1070 O ASN A 73 4.993 9.996 15.135 1.00 11.21 O ATOM 1071 CB ASN A 73 4.123 7.551 14.079 1.00 74.01 C ATOM 1072 CG ASN A 73 2.805 6.803 14.203 1.00 4.44 C ATOM 1073 OD1 ASN A 73 2.578 5.810 13.389 1.00 15.11 O flip ATOM 1074 ND2 ASN A 73 1.998 7.105 15.077 1.00 71.54 N flip ATOM 0 H ASN A 73 3.535 8.819 11.233 1.00 1.42 H new ATOM 0 HA ASN A 73 2.893 9.067 13.301 1.00 11.03 H new ATOM 0 HB2 ASN A 73 4.858 6.914 13.587 1.00 74.01 H new ATOM 0 HB3 ASN A 73 4.510 7.774 15.074 1.00 74.01 H new ATOM 0 HD21 ASN A 73 2.194 7.885 15.704 1.00 71.54 H new ATOM 0 HD22 ASN A 73 1.132 6.576 15.176 1.00 71.54 H new ATOM 1081 N ASN A 74 4.947 11.055 13.119 1.00 70.42 N ATOM 1082 CA ASN A 74 5.631 12.312 13.475 1.00 42.12 C ATOM 1083 C ASN A 74 7.177 12.141 13.499 1.00 42.33 C ATOM 1084 O ASN A 74 7.920 13.067 13.796 1.00 31.43 O ATOM 1085 CB ASN A 74 5.086 12.945 14.793 1.00 44.03 C ATOM 1086 CG ASN A 74 5.606 14.360 15.056 1.00 12.23 C ATOM 1087 OD1 ASN A 74 5.889 15.120 14.130 1.00 40.50 O ATOM 1088 ND2 ASN A 74 5.714 14.725 16.304 1.00 24.15 N ATOM 0 H ASN A 74 4.669 11.033 12.138 1.00 70.42 H new ATOM 0 HA ASN A 74 5.400 13.024 12.683 1.00 42.12 H new ATOM 0 HB2 ASN A 74 3.997 12.969 14.751 1.00 44.03 H new ATOM 0 HB3 ASN A 74 5.358 12.305 15.633 1.00 44.03 H new ATOM 0 HD21 ASN A 74 6.041 15.663 16.534 1.00 24.15 H new ATOM 0 HD22 ASN A 74 5.472 14.072 17.049 1.00 24.15 H new ATOM 1095 N ALA A 75 7.653 10.961 13.150 1.00 24.22 N ATOM 1096 CA ALA A 75 9.089 10.708 13.092 1.00 1.11 C ATOM 1097 C ALA A 75 9.590 10.882 11.658 1.00 64.22 C ATOM 1098 O ALA A 75 9.113 10.193 10.757 1.00 5.44 O ATOM 1099 CB ALA A 75 9.406 9.304 13.584 1.00 61.52 C ATOM 0 H ALA A 75 7.071 10.161 12.902 1.00 24.22 H new ATOM 0 HA ALA A 75 9.594 11.425 13.740 1.00 1.11 H new ATOM 0 HB1 ALA A 75 10.482 9.135 13.533 1.00 61.52 H new ATOM 0 HB2 ALA A 75 9.070 9.195 14.615 1.00 61.52 H new ATOM 0 HB3 ALA A 75 8.894 8.574 12.957 1.00 61.52 H new ATOM 1105 N PRO A 76 10.512 11.825 11.411 1.00 73.21 N ATOM 1106 CA PRO A 76 11.060 12.060 10.064 1.00 63.45 C ATOM 1107 C PRO A 76 11.880 10.869 9.570 1.00 5.24 C ATOM 1108 O PRO A 76 12.753 10.364 10.285 1.00 60.13 O ATOM 1109 CB PRO A 76 11.951 13.301 10.238 1.00 65.41 C ATOM 1110 CG PRO A 76 12.269 13.351 11.695 1.00 63.14 C ATOM 1111 CD PRO A 76 11.094 12.748 12.410 1.00 22.24 C ATOM 0 HA PRO A 76 10.275 12.199 9.321 1.00 63.45 H new ATOM 0 HB2 PRO A 76 12.858 13.222 9.639 1.00 65.41 H new ATOM 0 HB3 PRO A 76 11.434 14.205 9.916 1.00 65.41 H new ATOM 0 HG2 PRO A 76 13.182 12.796 11.912 1.00 63.14 H new ATOM 0 HG3 PRO A 76 12.436 14.378 12.020 1.00 63.14 H new ATOM 0 HD2 PRO A 76 11.402 12.219 13.312 1.00 22.24 H new ATOM 0 HD3 PRO A 76 10.377 13.510 12.716 1.00 22.24 H new ATOM 1119 N VAL A 77 11.583 10.407 8.373 1.00 3.31 N ATOM 1120 CA VAL A 77 12.264 9.259 7.788 1.00 65.02 C ATOM 1121 C VAL A 77 12.493 9.490 6.313 1.00 32.34 C ATOM 1122 O VAL A 77 11.955 10.437 5.740 1.00 1.03 O ATOM 1123 CB VAL A 77 11.437 7.940 7.939 1.00 64.42 C ATOM 1124 CG1 VAL A 77 11.314 7.507 9.392 1.00 23.10 C ATOM 1125 CG2 VAL A 77 10.057 8.096 7.304 1.00 21.25 C ATOM 0 H VAL A 77 10.864 10.813 7.774 1.00 3.31 H new ATOM 0 HA VAL A 77 13.208 9.150 8.323 1.00 65.02 H new ATOM 0 HB VAL A 77 11.979 7.154 7.412 1.00 64.42 H new ATOM 0 HG11 VAL A 77 10.732 6.587 9.450 1.00 23.10 H new ATOM 0 HG12 VAL A 77 12.308 7.334 9.806 1.00 23.10 H new ATOM 0 HG13 VAL A 77 10.814 8.289 9.964 1.00 23.10 H new ATOM 0 HG21 VAL A 77 9.497 7.168 7.419 1.00 21.25 H new ATOM 0 HG22 VAL A 77 9.520 8.908 7.795 1.00 21.25 H new ATOM 0 HG23 VAL A 77 10.168 8.324 6.244 1.00 21.25 H new ATOM 1135 N GLN A 78 13.310 8.658 5.715 1.00 22.24 N ATOM 1136 CA GLN A 78 13.488 8.684 4.277 1.00 34.20 C ATOM 1137 C GLN A 78 12.845 7.445 3.668 1.00 42.13 C ATOM 1138 O GLN A 78 12.580 7.381 2.472 1.00 24.24 O ATOM 1139 CB GLN A 78 14.961 8.795 3.880 1.00 60.04 C ATOM 1140 CG GLN A 78 15.842 7.652 4.337 1.00 53.25 C ATOM 1141 CD GLN A 78 17.266 7.818 3.874 1.00 62.42 C ATOM 1142 OE1 GLN A 78 17.530 8.407 2.816 1.00 51.51 O ATOM 1143 NE2 GLN A 78 18.188 7.337 4.649 1.00 24.32 N ATOM 0 H GLN A 78 13.865 7.952 6.199 1.00 22.24 H new ATOM 0 HA GLN A 78 12.997 9.575 3.886 1.00 34.20 H new ATOM 0 HB2 GLN A 78 15.023 8.868 2.794 1.00 60.04 H new ATOM 0 HB3 GLN A 78 15.361 9.725 4.286 1.00 60.04 H new ATOM 0 HG2 GLN A 78 15.819 7.589 5.425 1.00 53.25 H new ATOM 0 HG3 GLN A 78 15.444 6.712 3.955 1.00 53.25 H new ATOM 0 HE21 GLN A 78 17.930 6.858 5.512 1.00 24.32 H new ATOM 0 HE22 GLN A 78 19.171 7.437 4.395 1.00 24.32 H new ATOM 1152 N GLU A 79 12.616 6.456 4.510 1.00 24.21 N ATOM 1153 CA GLU A 79 11.921 5.250 4.137 1.00 23.24 C ATOM 1154 C GLU A 79 11.234 4.700 5.369 1.00 65.23 C ATOM 1155 O GLU A 79 11.668 4.983 6.503 1.00 62.30 O ATOM 1156 CB GLU A 79 12.860 4.185 3.541 1.00 11.41 C ATOM 1157 CG GLU A 79 13.957 3.705 4.479 1.00 13.02 C ATOM 1158 CD GLU A 79 14.661 2.490 3.948 1.00 44.21 C ATOM 1159 OE1 GLU A 79 15.608 2.630 3.135 1.00 51.01 O ATOM 1160 OE2 GLU A 79 14.289 1.364 4.330 1.00 12.22 O ATOM 0 H GLU A 79 12.914 6.473 5.485 1.00 24.21 H new ATOM 0 HA GLU A 79 11.198 5.497 3.360 1.00 23.24 H new ATOM 0 HB2 GLU A 79 12.263 3.326 3.233 1.00 11.41 H new ATOM 0 HB3 GLU A 79 13.323 4.591 2.641 1.00 11.41 H new ATOM 0 HG2 GLU A 79 14.681 4.506 4.630 1.00 13.02 H new ATOM 0 HG3 GLU A 79 13.526 3.477 5.454 1.00 13.02 H new ATOM 1167 N TRP A 80 10.191 3.946 5.166 1.00 4.05 N ATOM 1168 CA TRP A 80 9.435 3.352 6.238 1.00 44.14 C ATOM 1169 C TRP A 80 8.638 2.178 5.691 1.00 5.33 C ATOM 1170 O TRP A 80 8.339 2.129 4.504 1.00 43.43 O ATOM 1171 CB TRP A 80 8.513 4.423 6.895 1.00 34.05 C ATOM 1172 CG TRP A 80 7.659 3.940 8.019 1.00 72.15 C ATOM 1173 CD1 TRP A 80 6.339 3.613 7.957 1.00 33.12 C ATOM 1174 CD2 TRP A 80 8.053 3.759 9.374 1.00 0.22 C ATOM 1175 NE1 TRP A 80 5.893 3.229 9.182 1.00 74.14 N ATOM 1176 CE2 TRP A 80 6.922 3.316 10.075 1.00 51.41 C ATOM 1177 CE3 TRP A 80 9.255 3.930 10.069 1.00 43.33 C ATOM 1178 CZ2 TRP A 80 6.953 3.046 11.427 1.00 22.42 C ATOM 1179 CZ3 TRP A 80 9.280 3.661 11.418 1.00 63.22 C ATOM 1180 CH2 TRP A 80 8.132 3.222 12.082 1.00 40.13 C ATOM 0 H TRP A 80 9.834 3.722 4.237 1.00 4.05 H new ATOM 0 HA TRP A 80 10.105 2.980 7.013 1.00 44.14 H new ATOM 0 HB2 TRP A 80 9.138 5.238 7.262 1.00 34.05 H new ATOM 0 HB3 TRP A 80 7.865 4.840 6.124 1.00 34.05 H new ATOM 0 HD1 TRP A 80 5.734 3.653 7.063 1.00 33.12 H new ATOM 0 HE1 TRP A 80 4.944 2.925 9.399 1.00 74.14 H new ATOM 0 HE3 TRP A 80 10.145 4.266 9.557 1.00 43.33 H new ATOM 0 HZ2 TRP A 80 6.070 2.706 11.948 1.00 22.42 H new ATOM 0 HZ3 TRP A 80 10.199 3.791 11.971 1.00 63.22 H new ATOM 0 HH2 TRP A 80 8.182 3.017 13.141 1.00 40.13 H new ATOM 1191 N GLN A 81 8.364 1.217 6.519 1.00 5.43 N ATOM 1192 CA GLN A 81 7.518 0.120 6.129 1.00 42.21 C ATOM 1193 C GLN A 81 6.171 0.340 6.762 1.00 54.53 C ATOM 1194 O GLN A 81 6.046 0.293 7.988 1.00 50.52 O ATOM 1195 CB GLN A 81 8.110 -1.227 6.533 1.00 34.45 C ATOM 1196 CG GLN A 81 9.471 -1.502 5.914 1.00 64.04 C ATOM 1197 CD GLN A 81 9.993 -2.881 6.238 1.00 31.14 C ATOM 1198 OE1 GLN A 81 9.227 -3.825 6.415 1.00 4.34 O ATOM 1199 NE2 GLN A 81 11.282 -3.015 6.310 1.00 24.55 N ATOM 0 H GLN A 81 8.714 1.166 7.476 1.00 5.43 H new ATOM 0 HA GLN A 81 7.427 0.091 5.043 1.00 42.21 H new ATOM 0 HB2 GLN A 81 8.199 -1.265 7.619 1.00 34.45 H new ATOM 0 HB3 GLN A 81 7.421 -2.020 6.242 1.00 34.45 H new ATOM 0 HG2 GLN A 81 9.402 -1.389 4.832 1.00 64.04 H new ATOM 0 HG3 GLN A 81 10.183 -0.756 6.268 1.00 64.04 H new ATOM 0 HE21 GLN A 81 11.888 -2.209 6.157 1.00 24.55 H new ATOM 0 HE22 GLN A 81 11.689 -3.927 6.519 1.00 24.55 H new ATOM 1208 N LEU A 82 5.195 0.621 5.926 1.00 51.02 N ATOM 1209 CA LEU A 82 3.850 0.988 6.356 1.00 61.13 C ATOM 1210 C LEU A 82 3.213 -0.065 7.244 1.00 14.02 C ATOM 1211 O LEU A 82 3.257 -1.269 6.936 1.00 32.51 O ATOM 1212 CB LEU A 82 2.951 1.200 5.142 1.00 41.51 C ATOM 1213 CG LEU A 82 3.376 2.285 4.156 1.00 32.14 C ATOM 1214 CD1 LEU A 82 2.337 2.467 3.061 1.00 43.05 C ATOM 1215 CD2 LEU A 82 3.615 3.580 4.875 1.00 31.03 C ATOM 0 H LEU A 82 5.308 0.603 4.912 1.00 51.02 H new ATOM 0 HA LEU A 82 3.949 1.908 6.932 1.00 61.13 H new ATOM 0 HB2 LEU A 82 2.882 0.256 4.601 1.00 41.51 H new ATOM 0 HB3 LEU A 82 1.949 1.437 5.498 1.00 41.51 H new ATOM 0 HG LEU A 82 4.307 1.969 3.686 1.00 32.14 H new ATOM 0 HD11 LEU A 82 2.666 3.246 2.373 1.00 43.05 H new ATOM 0 HD12 LEU A 82 2.214 1.531 2.517 1.00 43.05 H new ATOM 0 HD13 LEU A 82 1.385 2.755 3.507 1.00 43.05 H new ATOM 0 HD21 LEU A 82 3.917 4.344 4.158 1.00 31.03 H new ATOM 0 HD22 LEU A 82 2.698 3.894 5.374 1.00 31.03 H new ATOM 0 HD23 LEU A 82 4.403 3.445 5.615 1.00 31.03 H new ATOM 1227 N ALA A 83 2.664 0.387 8.341 1.00 60.41 N ATOM 1228 CA ALA A 83 1.936 -0.442 9.251 1.00 4.03 C ATOM 1229 C ALA A 83 0.585 0.211 9.530 1.00 25.22 C ATOM 1230 O ALA A 83 0.374 1.396 9.215 1.00 35.33 O ATOM 1231 CB ALA A 83 2.725 -0.622 10.542 1.00 2.43 C ATOM 0 H ALA A 83 2.715 1.364 8.628 1.00 60.41 H new ATOM 0 HA ALA A 83 1.779 -1.428 8.814 1.00 4.03 H new ATOM 0 HB1 ALA A 83 2.161 -1.255 11.228 1.00 2.43 H new ATOM 0 HB2 ALA A 83 3.684 -1.091 10.320 1.00 2.43 H new ATOM 0 HB3 ALA A 83 2.895 0.351 11.003 1.00 2.43 H new ATOM 1237 N ASP A 84 -0.324 -0.541 10.107 1.00 75.32 N ATOM 1238 CA ASP A 84 -1.645 -0.036 10.427 1.00 4.35 C ATOM 1239 C ASP A 84 -1.537 0.937 11.581 1.00 33.13 C ATOM 1240 O ASP A 84 -1.092 0.567 12.682 1.00 33.44 O ATOM 1241 CB ASP A 84 -2.603 -1.185 10.798 1.00 75.13 C ATOM 1242 CG ASP A 84 -4.030 -0.719 11.059 1.00 71.24 C ATOM 1243 OD1 ASP A 84 -4.813 -0.584 10.094 1.00 1.42 O ATOM 1244 OD2 ASP A 84 -4.404 -0.488 12.216 1.00 30.41 O ATOM 0 H ASP A 84 -0.173 -1.515 10.368 1.00 75.32 H new ATOM 0 HA ASP A 84 -2.049 0.469 9.550 1.00 4.35 H new ATOM 0 HB2 ASP A 84 -2.609 -1.918 9.992 1.00 75.13 H new ATOM 0 HB3 ASP A 84 -2.225 -1.691 11.686 1.00 75.13 H new ATOM 1249 N GLY A 85 -1.878 2.174 11.324 1.00 42.14 N ATOM 1250 CA GLY A 85 -1.835 3.178 12.349 1.00 44.21 C ATOM 1251 C GLY A 85 -0.737 4.197 12.130 1.00 24.44 C ATOM 1252 O GLY A 85 -0.441 5.006 13.033 1.00 14.05 O ATOM 0 H GLY A 85 -2.189 2.508 10.412 1.00 42.14 H new ATOM 0 HA2 GLY A 85 -2.796 3.690 12.389 1.00 44.21 H new ATOM 0 HA3 GLY A 85 -1.689 2.697 13.316 1.00 44.21 H new ATOM 1256 N ASP A 86 -0.099 4.166 10.970 1.00 44.50 N ATOM 1257 CA ASP A 86 0.924 5.159 10.685 1.00 43.00 C ATOM 1258 C ASP A 86 0.336 6.442 10.218 1.00 42.44 C ATOM 1259 O ASP A 86 -0.344 6.490 9.193 1.00 52.14 O ATOM 1260 CB ASP A 86 2.008 4.700 9.713 1.00 14.13 C ATOM 1261 CG ASP A 86 2.981 3.741 10.331 1.00 3.13 C ATOM 1262 OD1 ASP A 86 3.478 4.019 11.457 1.00 71.21 O ATOM 1263 OD2 ASP A 86 3.252 2.697 9.738 1.00 51.22 O ATOM 0 H ASP A 86 -0.265 3.484 10.229 1.00 44.50 H new ATOM 0 HA ASP A 86 1.418 5.312 11.644 1.00 43.00 H new ATOM 0 HB2 ASP A 86 1.538 4.227 8.850 1.00 14.13 H new ATOM 0 HB3 ASP A 86 2.549 5.571 9.344 1.00 14.13 H new ATOM 1268 N VAL A 87 0.565 7.473 10.988 1.00 22.45 N ATOM 1269 CA VAL A 87 0.144 8.797 10.620 1.00 33.03 C ATOM 1270 C VAL A 87 1.303 9.416 9.884 1.00 64.42 C ATOM 1271 O VAL A 87 2.333 9.691 10.467 1.00 42.35 O ATOM 1272 CB VAL A 87 -0.175 9.667 11.861 1.00 54.43 C ATOM 1273 CG1 VAL A 87 -0.776 10.994 11.436 1.00 54.41 C ATOM 1274 CG2 VAL A 87 -1.101 8.935 12.825 1.00 22.03 C ATOM 0 H VAL A 87 1.047 7.418 11.885 1.00 22.45 H new ATOM 0 HA VAL A 87 -0.763 8.742 10.018 1.00 33.03 H new ATOM 0 HB VAL A 87 0.759 9.863 12.387 1.00 54.43 H new ATOM 0 HG11 VAL A 87 -0.995 11.594 12.319 1.00 54.41 H new ATOM 0 HG12 VAL A 87 -0.068 11.527 10.801 1.00 54.41 H new ATOM 0 HG13 VAL A 87 -1.697 10.815 10.882 1.00 54.41 H new ATOM 0 HG21 VAL A 87 -1.307 9.571 13.686 1.00 22.03 H new ATOM 0 HG22 VAL A 87 -2.036 8.695 12.320 1.00 22.03 H new ATOM 0 HG23 VAL A 87 -0.623 8.014 13.160 1.00 22.03 H new ATOM 1284 N ILE A 88 1.140 9.641 8.650 1.00 50.20 N ATOM 1285 CA ILE A 88 2.207 10.083 7.820 1.00 51.32 C ATOM 1286 C ILE A 88 1.964 11.520 7.357 1.00 1.44 C ATOM 1287 O ILE A 88 0.909 11.838 6.816 1.00 3.15 O ATOM 1288 CB ILE A 88 2.339 9.123 6.606 1.00 14.42 C ATOM 1289 CG1 ILE A 88 2.591 7.689 7.120 1.00 5.24 C ATOM 1290 CG2 ILE A 88 3.446 9.569 5.664 1.00 35.52 C ATOM 1291 CD1 ILE A 88 2.771 6.648 6.044 1.00 25.44 C ATOM 0 H ILE A 88 0.250 9.526 8.164 1.00 50.20 H new ATOM 0 HA ILE A 88 3.138 10.071 8.386 1.00 51.32 H new ATOM 0 HB ILE A 88 1.410 9.143 6.036 1.00 14.42 H new ATOM 0 HG12 ILE A 88 3.481 7.696 7.750 1.00 5.24 H new ATOM 0 HG13 ILE A 88 1.754 7.394 7.753 1.00 5.24 H new ATOM 0 HG21 ILE A 88 3.512 8.876 4.826 1.00 35.52 H new ATOM 0 HG22 ILE A 88 3.226 10.569 5.291 1.00 35.52 H new ATOM 0 HG23 ILE A 88 4.396 9.582 6.199 1.00 35.52 H new ATOM 0 HD11 ILE A 88 2.942 5.675 6.504 1.00 25.44 H new ATOM 0 HD12 ILE A 88 1.874 6.604 5.426 1.00 25.44 H new ATOM 0 HD13 ILE A 88 3.627 6.911 5.423 1.00 25.44 H new ATOM 1303 N ARG A 89 2.914 12.381 7.625 1.00 10.11 N ATOM 1304 CA ARG A 89 2.849 13.769 7.205 1.00 13.52 C ATOM 1305 C ARG A 89 3.868 14.007 6.110 1.00 72.42 C ATOM 1306 O ARG A 89 5.073 13.838 6.320 1.00 42.42 O ATOM 1307 CB ARG A 89 3.127 14.750 8.354 1.00 3.40 C ATOM 1308 CG ARG A 89 1.999 15.040 9.352 1.00 21.52 C ATOM 1309 CD ARG A 89 1.533 13.825 10.140 1.00 41.22 C ATOM 1310 NE ARG A 89 0.714 14.217 11.312 1.00 53.14 N ATOM 1311 CZ ARG A 89 -0.597 14.552 11.299 1.00 72.24 C ATOM 1312 NH1 ARG A 89 -1.277 14.584 10.157 1.00 54.44 N ATOM 1313 NH2 ARG A 89 -1.218 14.834 12.436 1.00 70.14 N ATOM 0 H ARG A 89 3.760 12.143 8.143 1.00 10.11 H new ATOM 0 HA ARG A 89 1.834 13.950 6.850 1.00 13.52 H new ATOM 0 HB2 ARG A 89 3.979 14.370 8.917 1.00 3.40 H new ATOM 0 HB3 ARG A 89 3.434 15.699 7.914 1.00 3.40 H new ATOM 0 HG2 ARG A 89 2.336 15.805 10.052 1.00 21.52 H new ATOM 0 HG3 ARG A 89 1.149 15.456 8.811 1.00 21.52 H new ATOM 0 HD2 ARG A 89 0.951 13.171 9.491 1.00 41.22 H new ATOM 0 HD3 ARG A 89 2.399 13.254 10.475 1.00 41.22 H new ATOM 0 HE ARG A 89 1.185 14.236 12.217 1.00 53.14 H new ATOM 0 HH11 ARG A 89 -0.811 14.355 9.279 1.00 54.44 H new ATOM 0 HH12 ARG A 89 -2.265 14.838 10.159 1.00 54.44 H new ATOM 0 HH21 ARG A 89 -0.708 14.798 13.318 1.00 70.14 H new ATOM 0 HH22 ARG A 89 -2.206 15.087 12.428 1.00 70.14 H new ATOM 1327 N LEU A 90 3.405 14.416 4.981 1.00 11.33 N ATOM 1328 CA LEU A 90 4.253 14.658 3.836 1.00 2.14 C ATOM 1329 C LEU A 90 4.043 16.072 3.354 1.00 64.35 C ATOM 1330 O LEU A 90 3.097 16.731 3.790 1.00 72.42 O ATOM 1331 CB LEU A 90 4.066 13.623 2.685 1.00 42.32 C ATOM 1332 CG LEU A 90 2.672 13.474 2.042 1.00 20.32 C ATOM 1333 CD1 LEU A 90 2.790 12.721 0.725 1.00 25.33 C ATOM 1334 CD2 LEU A 90 1.720 12.711 2.958 1.00 74.22 C ATOM 0 H LEU A 90 2.416 14.598 4.811 1.00 11.33 H new ATOM 0 HA LEU A 90 5.286 14.529 4.160 1.00 2.14 H new ATOM 0 HB2 LEU A 90 4.770 13.879 1.893 1.00 42.32 H new ATOM 0 HB3 LEU A 90 4.359 12.646 3.068 1.00 42.32 H new ATOM 0 HG LEU A 90 2.274 14.475 1.873 1.00 20.32 H new ATOM 0 HD11 LEU A 90 1.803 12.618 0.275 1.00 25.33 H new ATOM 0 HD12 LEU A 90 3.442 13.273 0.048 1.00 25.33 H new ATOM 0 HD13 LEU A 90 3.210 11.732 0.908 1.00 25.33 H new ATOM 0 HD21 LEU A 90 0.746 12.622 2.477 1.00 74.22 H new ATOM 0 HD22 LEU A 90 2.121 11.716 3.152 1.00 74.22 H new ATOM 0 HD23 LEU A 90 1.612 13.249 3.900 1.00 74.22 H new ATOM 1346 N GLY A 91 4.952 16.559 2.537 1.00 32.33 N ATOM 1347 CA GLY A 91 4.864 17.910 2.019 1.00 42.52 C ATOM 1348 C GLY A 91 3.511 18.220 1.397 1.00 42.21 C ATOM 1349 O GLY A 91 3.165 17.679 0.352 1.00 63.34 O ATOM 0 H GLY A 91 5.766 16.036 2.215 1.00 32.33 H new ATOM 0 HA2 GLY A 91 5.057 18.616 2.826 1.00 42.52 H new ATOM 0 HA3 GLY A 91 5.644 18.059 1.272 1.00 42.52 H new ATOM 1353 N HIS A 92 2.749 19.055 2.101 1.00 72.30 N ATOM 1354 CA HIS A 92 1.423 19.548 1.699 1.00 11.13 C ATOM 1355 C HIS A 92 0.309 18.496 1.791 1.00 75.01 C ATOM 1356 O HIS A 92 -0.779 18.701 1.251 1.00 23.35 O ATOM 1357 CB HIS A 92 1.437 20.230 0.311 1.00 42.34 C ATOM 1358 CG HIS A 92 2.310 21.453 0.243 1.00 13.12 C ATOM 1359 ND1 HIS A 92 1.891 22.724 0.579 1.00 53.13 N ATOM 1360 CD2 HIS A 92 3.612 21.574 -0.117 1.00 4.14 C ATOM 1361 CE1 HIS A 92 2.919 23.552 0.420 1.00 22.33 C ATOM 1362 NE2 HIS A 92 3.994 22.907 -0.003 1.00 31.23 N ATOM 0 H HIS A 92 3.046 19.424 3.004 1.00 72.30 H new ATOM 0 HA HIS A 92 1.180 20.309 2.440 1.00 11.13 H new ATOM 0 HB2 HIS A 92 1.778 19.510 -0.433 1.00 42.34 H new ATOM 0 HB3 HIS A 92 0.418 20.508 0.043 1.00 42.34 H new ATOM 0 HD2 HIS A 92 4.250 20.765 -0.440 1.00 4.14 H new ATOM 0 HE1 HIS A 92 2.881 24.614 0.611 1.00 22.33 H new ATOM 0 HE2 HIS A 92 4.912 23.304 -0.204 1.00 31.23 H new ATOM 1370 N SER A 93 0.543 17.404 2.499 1.00 11.23 N ATOM 1371 CA SER A 93 -0.486 16.394 2.657 1.00 4.34 C ATOM 1372 C SER A 93 -0.268 15.596 3.962 1.00 12.23 C ATOM 1373 O SER A 93 0.784 15.698 4.602 1.00 54.31 O ATOM 1374 CB SER A 93 -0.510 15.467 1.418 1.00 41.44 C ATOM 1375 OG SER A 93 -1.594 14.546 1.456 1.00 43.20 O ATOM 0 H SER A 93 1.425 17.197 2.968 1.00 11.23 H new ATOM 0 HA SER A 93 -1.458 16.882 2.733 1.00 4.34 H new ATOM 0 HB2 SER A 93 -0.582 16.073 0.515 1.00 41.44 H new ATOM 0 HB3 SER A 93 0.429 14.917 1.359 1.00 41.44 H new ATOM 0 HG SER A 93 -1.572 13.982 0.655 1.00 43.20 H new ATOM 1381 N GLU A 94 -1.257 14.840 4.359 1.00 54.32 N ATOM 1382 CA GLU A 94 -1.190 14.017 5.540 1.00 65.50 C ATOM 1383 C GLU A 94 -2.093 12.815 5.348 1.00 54.22 C ATOM 1384 O GLU A 94 -3.238 12.955 4.930 1.00 33.31 O ATOM 1385 CB GLU A 94 -1.555 14.815 6.799 1.00 12.21 C ATOM 1386 CG GLU A 94 -2.909 15.500 6.757 1.00 53.43 C ATOM 1387 CD GLU A 94 -3.178 16.283 8.002 1.00 61.22 C ATOM 1388 OE1 GLU A 94 -3.648 15.687 9.002 1.00 11.22 O ATOM 1389 OE2 GLU A 94 -2.926 17.496 8.017 1.00 32.22 O ATOM 0 H GLU A 94 -2.146 14.777 3.864 1.00 54.32 H new ATOM 0 HA GLU A 94 -0.167 13.671 5.686 1.00 65.50 H new ATOM 0 HB2 GLU A 94 -1.532 14.142 7.656 1.00 12.21 H new ATOM 0 HB3 GLU A 94 -0.788 15.571 6.966 1.00 12.21 H new ATOM 0 HG2 GLU A 94 -2.953 16.164 5.894 1.00 53.43 H new ATOM 0 HG3 GLU A 94 -3.690 14.752 6.623 1.00 53.43 H new ATOM 1396 N ILE A 95 -1.595 11.655 5.640 1.00 30.45 N ATOM 1397 CA ILE A 95 -2.326 10.450 5.362 1.00 71.35 C ATOM 1398 C ILE A 95 -2.130 9.442 6.504 1.00 53.21 C ATOM 1399 O ILE A 95 -1.091 9.432 7.141 1.00 74.31 O ATOM 1400 CB ILE A 95 -1.826 9.849 3.997 1.00 20.23 C ATOM 1401 CG1 ILE A 95 -2.737 8.748 3.505 1.00 1.21 C ATOM 1402 CG2 ILE A 95 -0.380 9.359 4.068 1.00 63.33 C ATOM 1403 CD1 ILE A 95 -4.092 9.257 3.113 1.00 72.15 C ATOM 0 H ILE A 95 -0.682 11.512 6.072 1.00 30.45 H new ATOM 0 HA ILE A 95 -3.390 10.673 5.285 1.00 71.35 H new ATOM 0 HB ILE A 95 -1.857 10.666 3.276 1.00 20.23 H new ATOM 0 HG12 ILE A 95 -2.276 8.255 2.649 1.00 1.21 H new ATOM 0 HG13 ILE A 95 -2.847 7.995 4.286 1.00 1.21 H new ATOM 0 HG21 ILE A 95 -0.085 8.954 3.100 1.00 63.33 H new ATOM 0 HG22 ILE A 95 0.274 10.192 4.327 1.00 63.33 H new ATOM 0 HG23 ILE A 95 -0.296 8.582 4.827 1.00 63.33 H new ATOM 0 HD11 ILE A 95 -4.707 8.426 2.767 1.00 72.15 H new ATOM 0 HD12 ILE A 95 -4.568 9.726 3.974 1.00 72.15 H new ATOM 0 HD13 ILE A 95 -3.988 9.989 2.312 1.00 72.15 H new ATOM 1415 N ILE A 96 -3.134 8.654 6.800 1.00 21.04 N ATOM 1416 CA ILE A 96 -2.996 7.610 7.793 1.00 24.44 C ATOM 1417 C ILE A 96 -3.114 6.269 7.086 1.00 72.33 C ATOM 1418 O ILE A 96 -3.951 6.103 6.228 1.00 43.50 O ATOM 1419 CB ILE A 96 -4.065 7.725 8.923 1.00 52.04 C ATOM 1420 CG1 ILE A 96 -3.964 9.095 9.617 1.00 74.22 C ATOM 1421 CG2 ILE A 96 -3.892 6.601 9.946 1.00 2.31 C ATOM 1422 CD1 ILE A 96 -4.983 9.310 10.719 1.00 42.44 C ATOM 0 H ILE A 96 -4.057 8.713 6.369 1.00 21.04 H new ATOM 0 HA ILE A 96 -2.024 7.708 8.276 1.00 24.44 H new ATOM 0 HB ILE A 96 -5.053 7.632 8.471 1.00 52.04 H new ATOM 0 HG12 ILE A 96 -2.964 9.205 10.036 1.00 74.22 H new ATOM 0 HG13 ILE A 96 -4.084 9.879 8.869 1.00 74.22 H new ATOM 0 HG21 ILE A 96 -4.647 6.699 10.726 1.00 2.31 H new ATOM 0 HG22 ILE A 96 -4.006 5.637 9.450 1.00 2.31 H new ATOM 0 HG23 ILE A 96 -2.900 6.665 10.392 1.00 2.31 H new ATOM 0 HD11 ILE A 96 -4.843 10.299 11.156 1.00 42.44 H new ATOM 0 HD12 ILE A 96 -5.988 9.235 10.305 1.00 42.44 H new ATOM 0 HD13 ILE A 96 -4.851 8.551 11.490 1.00 42.44 H new ATOM 1434 N VAL A 97 -2.258 5.348 7.401 1.00 42.24 N ATOM 1435 CA VAL A 97 -2.273 4.058 6.753 1.00 13.13 C ATOM 1436 C VAL A 97 -2.993 3.005 7.585 1.00 14.42 C ATOM 1437 O VAL A 97 -2.757 2.882 8.791 1.00 50.42 O ATOM 1438 CB VAL A 97 -0.837 3.596 6.420 1.00 0.10 C ATOM 1439 CG1 VAL A 97 -0.831 2.173 5.906 1.00 64.54 C ATOM 1440 CG2 VAL A 97 -0.229 4.520 5.384 1.00 71.02 C ATOM 0 H VAL A 97 -1.531 5.459 8.108 1.00 42.24 H new ATOM 0 HA VAL A 97 -2.830 4.174 5.823 1.00 13.13 H new ATOM 0 HB VAL A 97 -0.244 3.632 7.334 1.00 0.10 H new ATOM 0 HG11 VAL A 97 0.192 1.872 5.679 1.00 64.54 H new ATOM 0 HG12 VAL A 97 -1.244 1.510 6.666 1.00 64.54 H new ATOM 0 HG13 VAL A 97 -1.437 2.110 5.002 1.00 64.54 H new ATOM 0 HG21 VAL A 97 0.784 4.190 5.152 1.00 71.02 H new ATOM 0 HG22 VAL A 97 -0.834 4.499 4.478 1.00 71.02 H new ATOM 0 HG23 VAL A 97 -0.199 5.537 5.776 1.00 71.02 H new ATOM 1450 N ARG A 98 -3.901 2.281 6.949 1.00 42.41 N ATOM 1451 CA ARG A 98 -4.583 1.183 7.566 1.00 4.41 C ATOM 1452 C ARG A 98 -4.280 -0.076 6.794 1.00 10.31 C ATOM 1453 O ARG A 98 -4.050 -0.033 5.583 1.00 24.23 O ATOM 1454 CB ARG A 98 -6.093 1.394 7.599 1.00 71.04 C ATOM 1455 CG ARG A 98 -6.565 2.666 8.276 1.00 3.12 C ATOM 1456 CD ARG A 98 -6.020 2.849 9.692 1.00 74.14 C ATOM 1457 NE ARG A 98 -6.214 1.677 10.558 1.00 54.12 N ATOM 1458 CZ ARG A 98 -7.003 1.631 11.635 1.00 44.31 C ATOM 1459 NH1 ARG A 98 -7.907 2.582 11.853 1.00 4.01 N ATOM 1460 NH2 ARG A 98 -6.882 0.621 12.493 1.00 61.32 N ATOM 0 H ARG A 98 -4.179 2.450 5.982 1.00 42.41 H new ATOM 0 HA ARG A 98 -4.233 1.105 8.595 1.00 4.41 H new ATOM 0 HB2 ARG A 98 -6.464 1.391 6.574 1.00 71.04 H new ATOM 0 HB3 ARG A 98 -6.549 0.544 8.106 1.00 71.04 H new ATOM 0 HG2 ARG A 98 -6.268 3.521 7.669 1.00 3.12 H new ATOM 0 HG3 ARG A 98 -7.654 2.664 8.313 1.00 3.12 H new ATOM 0 HD2 ARG A 98 -4.955 3.075 9.635 1.00 74.14 H new ATOM 0 HD3 ARG A 98 -6.505 3.711 10.149 1.00 74.14 H new ATOM 0 HE ARG A 98 -5.703 0.828 10.316 1.00 54.12 H new ATOM 0 HH11 ARG A 98 -8.003 3.355 11.195 1.00 4.01 H new ATOM 0 HH12 ARG A 98 -8.505 2.538 12.678 1.00 4.01 H new ATOM 0 HH21 ARG A 98 -6.191 -0.110 12.326 1.00 61.32 H new ATOM 0 HH22 ARG A 98 -7.480 0.578 13.318 1.00 61.32 H new ATOM 1474 N MET A 99 -4.286 -1.177 7.472 1.00 53.13 N ATOM 1475 CA MET A 99 -3.984 -2.464 6.857 1.00 65.23 C ATOM 1476 C MET A 99 -5.048 -3.493 7.182 1.00 54.41 C ATOM 1477 O MET A 99 -5.667 -3.461 8.255 1.00 61.44 O ATOM 1478 CB MET A 99 -2.602 -3.003 7.275 1.00 44.25 C ATOM 1479 CG MET A 99 -1.419 -2.139 6.853 1.00 4.15 C ATOM 1480 SD MET A 99 0.180 -2.840 7.331 1.00 23.22 S ATOM 1481 CE MET A 99 0.202 -4.367 6.387 1.00 53.45 C ATOM 0 H MET A 99 -4.498 -1.228 8.468 1.00 53.13 H new ATOM 0 HA MET A 99 -3.969 -2.291 5.781 1.00 65.23 H new ATOM 0 HB2 MET A 99 -2.584 -3.112 8.359 1.00 44.25 H new ATOM 0 HB3 MET A 99 -2.474 -3.999 6.852 1.00 44.25 H new ATOM 0 HG2 MET A 99 -1.442 -2.006 5.771 1.00 4.15 H new ATOM 0 HG3 MET A 99 -1.523 -1.149 7.298 1.00 4.15 H new ATOM 0 HE1 MET A 99 1.226 -4.731 6.308 1.00 53.45 H new ATOM 0 HE2 MET A 99 -0.411 -5.115 6.890 1.00 53.45 H new ATOM 0 HE3 MET A 99 -0.196 -4.184 5.389 1.00 53.45 H new ATOM 1491 N HIS A 100 -5.271 -4.375 6.254 1.00 31.12 N ATOM 1492 CA HIS A 100 -6.216 -5.449 6.388 1.00 64.34 C ATOM 1493 C HIS A 100 -5.467 -6.725 6.091 1.00 23.11 C ATOM 1494 O HIS A 100 -4.908 -7.313 7.026 1.00 2.43 O ATOM 1495 CB HIS A 100 -7.380 -5.311 5.385 1.00 33.10 C ATOM 1496 CG HIS A 100 -8.105 -3.995 5.403 1.00 13.11 C ATOM 1497 ND1 HIS A 100 -9.344 -3.810 5.958 1.00 35.23 N ATOM 1498 CD2 HIS A 100 -7.741 -2.789 4.888 1.00 41.10 C ATOM 1499 CE1 HIS A 100 -9.696 -2.536 5.776 1.00 45.43 C ATOM 1500 NE2 HIS A 100 -8.750 -1.864 5.124 1.00 34.53 N ATOM 1501 OXT HIS A 100 -5.379 -7.116 4.899 1.00 38.13 O ATOM 0 H HIS A 100 -4.788 -4.369 5.356 1.00 31.12 H new ATOM 0 HA HIS A 100 -6.642 -5.440 7.391 1.00 64.34 H new ATOM 0 HB2 HIS A 100 -6.991 -5.476 4.380 1.00 33.10 H new ATOM 0 HB3 HIS A 100 -8.101 -6.104 5.582 1.00 33.10 H new ATOM 0 HD1 HIS A 100 -9.901 -4.523 6.429 1.00 35.23 H new ATOM 0 HD2 HIS A 100 -6.813 -2.583 4.376 1.00 41.10 H new ATOM 0 HE1 HIS A 100 -10.627 -2.106 6.114 1.00 45.43 H new