USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 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 49 HIS : no HE2:sc= -1.03 K(o=0.23,f=-2.7!) USER MOD Set 1.2: A 70 THR OG1 : rot 99:sc= 1.26 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= 0.599 K(o=0.6,f=-5.4!) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 28 ASN : amide:sc= 1.21 K(o=1.2,f=-0.47) USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 7 THR OG1 : rot 32:sc= 0.0455 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.208 X(o=0.21,f=-0.029) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.351 K(o=0.35,f=-8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 37 GLN : amide:sc= -0.0585 X(o=-0.059,f=-0.059) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.55) 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= -0.129 K(o=-0.13,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot -70:sc= 0.882 USER MOD Single : A 73 ASN : amide:sc= 1.53 K(o=1.5,f=-8.8!) USER MOD Single : A 74 ASN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.608 F(o=-2!,f=-0.61) 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 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.284 -8.339 2.620 1.00 43.32 N ATOM 63 CA THR A 7 -4.884 -7.149 3.297 1.00 12.35 C ATOM 64 C THR A 7 -4.903 -5.982 2.318 1.00 75.51 C ATOM 65 O THR A 7 -4.168 -5.962 1.330 1.00 33.25 O ATOM 66 CB THR A 7 -3.478 -7.322 3.906 1.00 15.35 C ATOM 67 OG1 THR A 7 -3.522 -8.367 4.898 1.00 54.13 O ATOM 68 CG2 THR A 7 -2.969 -6.023 4.532 1.00 52.20 C ATOM 0 HA THR A 7 -5.581 -6.946 4.110 1.00 12.35 H new ATOM 0 HB THR A 7 -2.786 -7.591 3.108 1.00 15.35 H new ATOM 0 HG1 THR A 7 -4.185 -9.039 4.636 1.00 54.13 H new ATOM 0 HG21 THR A 7 -1.976 -6.185 4.950 1.00 52.20 H new ATOM 0 HG22 THR A 7 -2.919 -5.247 3.769 1.00 52.20 H new ATOM 0 HG23 THR A 7 -3.649 -5.710 5.324 1.00 52.20 H new ATOM 76 N SER A 8 -5.753 -5.046 2.579 1.00 61.42 N ATOM 77 CA SER A 8 -5.862 -3.900 1.758 1.00 14.00 C ATOM 78 C SER A 8 -5.145 -2.747 2.431 1.00 32.51 C ATOM 79 O SER A 8 -5.518 -2.340 3.526 1.00 41.14 O ATOM 80 CB SER A 8 -7.329 -3.556 1.579 1.00 64.33 C ATOM 81 OG SER A 8 -8.078 -4.704 1.179 1.00 2.33 O ATOM 0 H SER A 8 -6.392 -5.060 3.374 1.00 61.42 H new ATOM 0 HA SER A 8 -5.414 -4.090 0.783 1.00 14.00 H new ATOM 0 HB2 SER A 8 -7.731 -3.162 2.513 1.00 64.33 H new ATOM 0 HB3 SER A 8 -7.433 -2.770 0.831 1.00 64.33 H new ATOM 0 HG SER A 8 -9.021 -4.458 1.072 1.00 2.33 H new ATOM 87 N VAL A 9 -4.096 -2.257 1.826 1.00 65.45 N ATOM 88 CA VAL A 9 -3.426 -1.110 2.375 1.00 54.24 C ATOM 89 C VAL A 9 -4.080 0.097 1.755 1.00 72.22 C ATOM 90 O VAL A 9 -4.166 0.211 0.531 1.00 22.14 O ATOM 91 CB VAL A 9 -1.904 -1.104 2.096 1.00 62.41 C ATOM 92 CG1 VAL A 9 -1.225 0.020 2.872 1.00 71.04 C ATOM 93 CG2 VAL A 9 -1.286 -2.444 2.451 1.00 44.34 C ATOM 0 H VAL A 9 -3.692 -2.628 0.966 1.00 65.45 H new ATOM 0 HA VAL A 9 -3.519 -1.118 3.461 1.00 54.24 H new ATOM 0 HB VAL A 9 -1.752 -0.931 1.031 1.00 62.41 H new ATOM 0 HG11 VAL A 9 -0.155 0.010 2.665 1.00 71.04 H new ATOM 0 HG12 VAL A 9 -1.645 0.978 2.567 1.00 71.04 H new ATOM 0 HG13 VAL A 9 -1.389 -0.124 3.940 1.00 71.04 H new ATOM 0 HG21 VAL A 9 -0.216 -2.417 2.247 1.00 44.34 H new ATOM 0 HG22 VAL A 9 -1.448 -2.651 3.509 1.00 44.34 H new ATOM 0 HG23 VAL A 9 -1.750 -3.228 1.853 1.00 44.34 H new ATOM 103 N THR A 10 -4.593 0.935 2.564 1.00 22.22 N ATOM 104 CA THR A 10 -5.361 2.036 2.124 1.00 11.43 C ATOM 105 C THR A 10 -4.947 3.280 2.882 1.00 41.55 C ATOM 106 O THR A 10 -4.794 3.253 4.100 1.00 23.10 O ATOM 107 CB THR A 10 -6.857 1.722 2.373 1.00 43.42 C ATOM 108 OG1 THR A 10 -7.191 0.480 1.711 1.00 64.35 O ATOM 109 CG2 THR A 10 -7.755 2.824 1.845 1.00 74.00 C ATOM 0 H THR A 10 -4.491 0.877 3.577 1.00 22.22 H new ATOM 0 HA THR A 10 -5.198 2.212 1.061 1.00 11.43 H new ATOM 0 HB THR A 10 -7.016 1.643 3.448 1.00 43.42 H new ATOM 0 HG1 THR A 10 -8.136 0.272 1.864 1.00 64.35 H new ATOM 0 HG21 THR A 10 -8.797 2.568 2.038 1.00 74.00 H new ATOM 0 HG22 THR A 10 -7.513 3.762 2.345 1.00 74.00 H new ATOM 0 HG23 THR A 10 -7.602 2.935 0.772 1.00 74.00 H new ATOM 117 N LEU A 11 -4.707 4.335 2.168 1.00 22.43 N ATOM 118 CA LEU A 11 -4.399 5.576 2.793 1.00 53.43 C ATOM 119 C LEU A 11 -5.669 6.389 2.950 1.00 65.13 C ATOM 120 O LEU A 11 -6.437 6.567 1.989 1.00 32.42 O ATOM 121 CB LEU A 11 -3.271 6.373 2.089 1.00 24.14 C ATOM 122 CG LEU A 11 -3.390 6.653 0.581 1.00 13.11 C ATOM 123 CD1 LEU A 11 -2.557 7.872 0.213 1.00 51.03 C ATOM 124 CD2 LEU A 11 -2.869 5.475 -0.211 1.00 70.42 C ATOM 0 H LEU A 11 -4.719 4.358 1.148 1.00 22.43 H new ATOM 0 HA LEU A 11 -3.991 5.353 3.779 1.00 53.43 H new ATOM 0 HB2 LEU A 11 -3.180 7.333 2.597 1.00 24.14 H new ATOM 0 HB3 LEU A 11 -2.337 5.836 2.252 1.00 24.14 H new ATOM 0 HG LEU A 11 -4.441 6.826 0.348 1.00 13.11 H new ATOM 0 HD11 LEU A 11 -2.646 8.064 -0.856 1.00 51.03 H new ATOM 0 HD12 LEU A 11 -2.915 8.739 0.769 1.00 51.03 H new ATOM 0 HD13 LEU A 11 -1.512 7.688 0.463 1.00 51.03 H new ATOM 0 HD21 LEU A 11 -2.958 5.685 -1.277 1.00 70.42 H new ATOM 0 HD22 LEU A 11 -1.822 5.303 0.038 1.00 70.42 H new ATOM 0 HD23 LEU A 11 -3.451 4.586 0.034 1.00 70.42 H new ATOM 136 N GLN A 12 -5.909 6.817 4.157 1.00 71.11 N ATOM 137 CA GLN A 12 -7.097 7.543 4.516 1.00 43.41 C ATOM 138 C GLN A 12 -6.756 9.018 4.511 1.00 53.31 C ATOM 139 O GLN A 12 -5.992 9.492 5.358 1.00 12.02 O ATOM 140 CB GLN A 12 -7.541 7.083 5.916 1.00 71.40 C ATOM 141 CG GLN A 12 -9.032 7.273 6.259 1.00 53.20 C ATOM 142 CD GLN A 12 -9.464 8.714 6.470 1.00 20.11 C ATOM 143 OE1 GLN A 12 -9.419 9.227 7.588 1.00 74.45 O ATOM 144 NE2 GLN A 12 -9.902 9.365 5.427 1.00 5.34 N ATOM 0 H GLN A 12 -5.270 6.668 4.938 1.00 71.11 H new ATOM 0 HA GLN A 12 -7.912 7.361 3.815 1.00 43.41 H new ATOM 0 HB2 GLN A 12 -7.298 6.026 6.021 1.00 71.40 H new ATOM 0 HB3 GLN A 12 -6.949 7.621 6.656 1.00 71.40 H new ATOM 0 HG2 GLN A 12 -9.631 6.844 5.456 1.00 53.20 H new ATOM 0 HG3 GLN A 12 -9.256 6.706 7.163 1.00 53.20 H new ATOM 0 HE21 GLN A 12 -9.926 8.910 4.515 1.00 5.34 H new ATOM 0 HE22 GLN A 12 -10.220 10.329 5.524 1.00 5.34 H new ATOM 153 N LEU A 13 -7.268 9.716 3.536 1.00 12.12 N ATOM 154 CA LEU A 13 -7.019 11.107 3.372 1.00 60.23 C ATOM 155 C LEU A 13 -8.193 11.898 3.882 1.00 72.41 C ATOM 156 O LEU A 13 -9.307 11.816 3.325 1.00 62.04 O ATOM 157 CB LEU A 13 -6.778 11.422 1.888 1.00 30.50 C ATOM 158 CG LEU A 13 -6.627 12.898 1.527 1.00 2.13 C ATOM 159 CD1 LEU A 13 -5.413 13.520 2.203 1.00 42.43 C ATOM 160 CD2 LEU A 13 -6.573 13.085 0.022 1.00 2.42 C ATOM 0 H LEU A 13 -7.881 9.319 2.823 1.00 12.12 H new ATOM 0 HA LEU A 13 -6.131 11.382 3.941 1.00 60.23 H new ATOM 0 HB2 LEU A 13 -5.877 10.898 1.568 1.00 30.50 H new ATOM 0 HB3 LEU A 13 -7.607 11.012 1.312 1.00 30.50 H new ATOM 0 HG LEU A 13 -7.508 13.420 1.901 1.00 2.13 H new ATOM 0 HD11 LEU A 13 -5.339 14.571 1.922 1.00 42.43 H new ATOM 0 HD12 LEU A 13 -5.518 13.440 3.285 1.00 42.43 H new ATOM 0 HD13 LEU A 13 -4.512 12.995 1.887 1.00 42.43 H new ATOM 0 HD21 LEU A 13 -6.465 14.145 -0.209 1.00 2.42 H new ATOM 0 HD22 LEU A 13 -5.722 12.537 -0.382 1.00 2.42 H new ATOM 0 HD23 LEU A 13 -7.493 12.708 -0.425 1.00 2.42 H new ATOM 172 N ASP A 14 -7.987 12.646 4.922 1.00 55.22 N ATOM 173 CA ASP A 14 -9.027 13.469 5.420 1.00 74.02 C ATOM 174 C ASP A 14 -8.837 14.801 4.812 1.00 41.24 C ATOM 175 O ASP A 14 -7.961 15.574 5.210 1.00 72.13 O ATOM 176 CB ASP A 14 -8.999 13.574 6.939 1.00 73.23 C ATOM 177 CG ASP A 14 -10.147 14.402 7.481 1.00 4.15 C ATOM 178 OD1 ASP A 14 -10.043 15.651 7.532 1.00 72.03 O ATOM 179 OD2 ASP A 14 -11.171 13.811 7.877 1.00 41.21 O ATOM 0 H ASP A 14 -7.108 12.699 5.436 1.00 55.22 H new ATOM 0 HA ASP A 14 -9.996 13.040 5.163 1.00 74.02 H new ATOM 0 HB2 ASP A 14 -9.040 12.574 7.371 1.00 73.23 H new ATOM 0 HB3 ASP A 14 -8.054 14.018 7.253 1.00 73.23 H new ATOM 184 N ASP A 15 -9.592 15.040 3.804 1.00 52.33 N ATOM 185 CA ASP A 15 -9.526 16.274 3.123 1.00 2.41 C ATOM 186 C ASP A 15 -10.896 16.625 2.615 1.00 24.44 C ATOM 187 O ASP A 15 -11.260 16.294 1.479 1.00 45.41 O ATOM 188 CB ASP A 15 -8.518 16.227 1.981 1.00 64.13 C ATOM 189 CG ASP A 15 -8.360 17.556 1.308 1.00 30.11 C ATOM 190 OD1 ASP A 15 -7.858 18.497 1.961 1.00 52.32 O ATOM 191 OD2 ASP A 15 -8.696 17.665 0.107 1.00 1.55 O ATOM 0 H ASP A 15 -10.275 14.382 3.429 1.00 52.33 H new ATOM 0 HA ASP A 15 -9.186 17.044 3.816 1.00 2.41 H new ATOM 0 HB2 ASP A 15 -7.552 15.899 2.365 1.00 64.13 H new ATOM 0 HB3 ASP A 15 -8.837 15.486 1.248 1.00 64.13 H new ATOM 196 N GLY A 16 -11.695 17.132 3.494 1.00 15.31 N ATOM 197 CA GLY A 16 -13.033 17.514 3.152 1.00 70.12 C ATOM 198 C GLY A 16 -14.049 16.573 3.746 1.00 34.43 C ATOM 199 O GLY A 16 -14.854 16.972 4.567 1.00 2.11 O ATOM 0 H GLY A 16 -11.444 17.295 4.469 1.00 15.31 H new ATOM 0 HA2 GLY A 16 -13.224 18.527 3.506 1.00 70.12 H new ATOM 0 HA3 GLY A 16 -13.141 17.530 2.068 1.00 70.12 H new ATOM 203 N SER A 17 -13.999 15.319 3.351 1.00 34.21 N ATOM 204 CA SER A 17 -14.967 14.348 3.843 1.00 34.42 C ATOM 205 C SER A 17 -14.298 13.092 4.411 1.00 4.04 C ATOM 206 O SER A 17 -14.736 12.546 5.414 1.00 34.14 O ATOM 207 CB SER A 17 -15.917 13.968 2.718 1.00 63.55 C ATOM 208 OG SER A 17 -16.512 15.122 2.152 1.00 32.20 O ATOM 0 H SER A 17 -13.309 14.946 2.699 1.00 34.21 H new ATOM 0 HA SER A 17 -15.518 14.814 4.660 1.00 34.42 H new ATOM 0 HB2 SER A 17 -15.375 13.418 1.949 1.00 63.55 H new ATOM 0 HB3 SER A 17 -16.692 13.303 3.099 1.00 63.55 H new ATOM 0 HG SER A 17 -17.118 14.856 1.429 1.00 32.20 H new ATOM 214 N GLY A 18 -13.245 12.646 3.769 1.00 72.34 N ATOM 215 CA GLY A 18 -12.585 11.447 4.185 1.00 52.53 C ATOM 216 C GLY A 18 -12.542 10.444 3.063 1.00 73.14 C ATOM 217 O GLY A 18 -13.424 9.593 2.941 1.00 2.12 O ATOM 0 H GLY A 18 -12.831 13.101 2.955 1.00 72.34 H new ATOM 0 HA2 GLY A 18 -11.571 11.679 4.511 1.00 52.53 H new ATOM 0 HA3 GLY A 18 -13.105 11.019 5.042 1.00 52.53 H new ATOM 221 N ARG A 19 -11.540 10.555 2.237 1.00 52.45 N ATOM 222 CA ARG A 19 -11.366 9.672 1.104 1.00 61.50 C ATOM 223 C ARG A 19 -10.345 8.607 1.410 1.00 73.23 C ATOM 224 O ARG A 19 -9.617 8.697 2.412 1.00 51.03 O ATOM 225 CB ARG A 19 -10.980 10.448 -0.148 1.00 0.42 C ATOM 226 CG ARG A 19 -12.150 11.153 -0.824 1.00 72.24 C ATOM 227 CD ARG A 19 -11.681 12.066 -1.942 1.00 72.14 C ATOM 228 NE ARG A 19 -10.985 13.255 -1.419 1.00 23.44 N ATOM 229 CZ ARG A 19 -9.936 13.868 -1.990 1.00 34.23 C ATOM 230 NH1 ARG A 19 -9.348 13.346 -3.064 1.00 51.24 N ATOM 231 NH2 ARG A 19 -9.465 15.006 -1.466 1.00 73.41 N ATOM 0 H ARG A 19 -10.812 11.264 2.326 1.00 52.45 H new ATOM 0 HA ARG A 19 -12.322 9.185 0.911 1.00 61.50 H new ATOM 0 HB2 ARG A 19 -10.225 11.189 0.114 1.00 0.42 H new ATOM 0 HB3 ARG A 19 -10.521 9.763 -0.861 1.00 0.42 H new ATOM 0 HG2 ARG A 19 -12.840 10.411 -1.225 1.00 72.24 H new ATOM 0 HG3 ARG A 19 -12.701 11.735 -0.085 1.00 72.24 H new ATOM 0 HD2 ARG A 19 -11.013 11.516 -2.605 1.00 72.14 H new ATOM 0 HD3 ARG A 19 -12.537 12.379 -2.540 1.00 72.14 H new ATOM 0 HE ARG A 19 -11.332 13.648 -0.544 1.00 23.44 H new ATOM 0 HH11 ARG A 19 -9.694 12.472 -3.461 1.00 51.24 H new ATOM 0 HH12 ARG A 19 -8.552 13.820 -3.490 1.00 51.24 H new ATOM 0 HH21 ARG A 19 -9.903 15.405 -0.636 1.00 73.41 H new ATOM 0 HH22 ARG A 19 -8.668 15.475 -1.897 1.00 73.41 H new ATOM 245 N THR A 20 -10.292 7.612 0.569 1.00 64.43 N ATOM 246 CA THR A 20 -9.422 6.484 0.756 1.00 41.04 C ATOM 247 C THR A 20 -8.843 6.032 -0.581 1.00 72.11 C ATOM 248 O THR A 20 -9.534 6.057 -1.606 1.00 24.44 O ATOM 249 CB THR A 20 -10.210 5.316 1.390 1.00 3.22 C ATOM 250 OG1 THR A 20 -11.450 5.128 0.678 1.00 53.15 O ATOM 251 CG2 THR A 20 -10.501 5.568 2.863 1.00 54.20 C ATOM 0 H THR A 20 -10.859 7.561 -0.277 1.00 64.43 H new ATOM 0 HA THR A 20 -8.607 6.780 1.416 1.00 41.04 H new ATOM 0 HB THR A 20 -9.596 4.418 1.318 1.00 3.22 H new ATOM 0 HG1 THR A 20 -11.949 4.386 1.080 1.00 53.15 H new ATOM 0 HG21 THR A 20 -11.056 4.725 3.274 1.00 54.20 H new ATOM 0 HG22 THR A 20 -9.562 5.683 3.405 1.00 54.20 H new ATOM 0 HG23 THR A 20 -11.093 6.477 2.967 1.00 54.20 H new ATOM 259 N TYR A 21 -7.597 5.663 -0.585 1.00 31.12 N ATOM 260 CA TYR A 21 -6.959 5.155 -1.779 1.00 54.31 C ATOM 261 C TYR A 21 -6.318 3.825 -1.440 1.00 23.31 C ATOM 262 O TYR A 21 -5.509 3.741 -0.511 1.00 22.11 O ATOM 263 CB TYR A 21 -5.904 6.158 -2.285 1.00 41.12 C ATOM 264 CG TYR A 21 -5.218 5.792 -3.600 1.00 15.31 C ATOM 265 CD1 TYR A 21 -4.094 4.972 -3.623 1.00 1.25 C ATOM 266 CD2 TYR A 21 -5.679 6.295 -4.809 1.00 41.23 C ATOM 267 CE1 TYR A 21 -3.454 4.660 -4.807 1.00 74.33 C ATOM 268 CE2 TYR A 21 -5.040 5.993 -6.000 1.00 73.20 C ATOM 269 CZ TYR A 21 -3.928 5.176 -5.991 1.00 74.43 C ATOM 270 OH TYR A 21 -3.280 4.881 -7.174 1.00 52.51 O ATOM 0 H TYR A 21 -6.989 5.702 0.233 1.00 31.12 H new ATOM 0 HA TYR A 21 -7.693 5.018 -2.573 1.00 54.31 H new ATOM 0 HB2 TYR A 21 -6.382 7.130 -2.404 1.00 41.12 H new ATOM 0 HB3 TYR A 21 -5.139 6.271 -1.517 1.00 41.12 H new ATOM 0 HD1 TYR A 21 -3.714 4.571 -2.695 1.00 1.25 H new ATOM 0 HD2 TYR A 21 -6.551 6.933 -4.821 1.00 41.23 H new ATOM 0 HE1 TYR A 21 -2.587 4.015 -4.803 1.00 74.33 H new ATOM 0 HE2 TYR A 21 -5.410 6.395 -6.931 1.00 73.20 H new ATOM 0 HH TYR A 21 -3.741 5.322 -7.918 1.00 52.51 H new ATOM 280 N GLN A 22 -6.709 2.796 -2.138 1.00 1.52 N ATOM 281 CA GLN A 22 -6.152 1.482 -1.925 1.00 74.11 C ATOM 282 C GLN A 22 -4.902 1.375 -2.778 1.00 13.51 C ATOM 283 O GLN A 22 -4.932 1.671 -3.979 1.00 35.30 O ATOM 284 CB GLN A 22 -7.213 0.391 -2.264 1.00 43.11 C ATOM 285 CG GLN A 22 -6.878 -1.066 -1.845 1.00 3.34 C ATOM 286 CD GLN A 22 -5.839 -1.762 -2.714 1.00 72.42 C ATOM 287 OE1 GLN A 22 -5.707 -1.474 -3.896 1.00 42.31 O ATOM 288 NE2 GLN A 22 -5.137 -2.710 -2.149 1.00 44.10 N ATOM 0 H GLN A 22 -7.419 2.840 -2.869 1.00 1.52 H new ATOM 0 HA GLN A 22 -5.879 1.324 -0.882 1.00 74.11 H new ATOM 0 HB2 GLN A 22 -8.153 0.673 -1.790 1.00 43.11 H new ATOM 0 HB3 GLN A 22 -7.382 0.404 -3.341 1.00 43.11 H new ATOM 0 HG2 GLN A 22 -6.523 -1.059 -0.815 1.00 3.34 H new ATOM 0 HG3 GLN A 22 -7.796 -1.653 -1.862 1.00 3.34 H new ATOM 0 HE21 GLN A 22 -5.272 -2.925 -1.161 1.00 44.10 H new ATOM 0 HE22 GLN A 22 -4.455 -3.235 -2.696 1.00 44.10 H new ATOM 297 N LEU A 23 -3.813 1.031 -2.148 1.00 72.15 N ATOM 298 CA LEU A 23 -2.542 0.908 -2.813 1.00 24.24 C ATOM 299 C LEU A 23 -2.531 -0.289 -3.717 1.00 41.24 C ATOM 300 O LEU A 23 -2.739 -1.409 -3.272 1.00 44.32 O ATOM 301 CB LEU A 23 -1.420 0.784 -1.786 1.00 44.23 C ATOM 302 CG LEU A 23 -1.103 2.029 -0.963 1.00 23.13 C ATOM 303 CD1 LEU A 23 -0.033 1.714 0.047 1.00 0.45 C ATOM 304 CD2 LEU A 23 -0.644 3.166 -1.858 1.00 32.53 C ATOM 0 H LEU A 23 -3.781 0.826 -1.149 1.00 72.15 H new ATOM 0 HA LEU A 23 -2.384 1.804 -3.414 1.00 24.24 H new ATOM 0 HB2 LEU A 23 -1.676 -0.022 -1.098 1.00 44.23 H new ATOM 0 HB3 LEU A 23 -0.512 0.481 -2.309 1.00 44.23 H new ATOM 0 HG LEU A 23 -2.011 2.341 -0.447 1.00 23.13 H new ATOM 0 HD11 LEU A 23 0.189 2.607 0.632 1.00 0.45 H new ATOM 0 HD12 LEU A 23 -0.381 0.923 0.711 1.00 0.45 H new ATOM 0 HD13 LEU A 23 0.869 1.384 -0.469 1.00 0.45 H new ATOM 0 HD21 LEU A 23 -0.424 4.043 -1.249 1.00 32.53 H new ATOM 0 HD22 LEU A 23 0.254 2.865 -2.398 1.00 32.53 H new ATOM 0 HD23 LEU A 23 -1.432 3.408 -2.571 1.00 32.53 H new ATOM 316 N ARG A 24 -2.286 -0.061 -4.976 1.00 51.20 N ATOM 317 CA ARG A 24 -2.208 -1.143 -5.906 1.00 60.43 C ATOM 318 C ARG A 24 -0.837 -1.738 -5.842 1.00 34.33 C ATOM 319 O ARG A 24 0.127 -1.034 -5.504 1.00 23.43 O ATOM 320 CB ARG A 24 -2.484 -0.686 -7.338 1.00 73.34 C ATOM 321 CG ARG A 24 -3.884 -0.158 -7.597 1.00 53.34 C ATOM 322 CD ARG A 24 -4.950 -1.179 -7.227 1.00 60.35 C ATOM 323 NE ARG A 24 -6.252 -0.800 -7.774 1.00 72.25 N ATOM 324 CZ ARG A 24 -7.425 -0.835 -7.140 1.00 45.12 C ATOM 325 NH1 ARG A 24 -7.498 -1.108 -5.845 1.00 4.24 N ATOM 326 NH2 ARG A 24 -8.524 -0.559 -7.817 1.00 62.44 N ATOM 0 H ARG A 24 -2.137 0.864 -5.378 1.00 51.20 H new ATOM 0 HA ARG A 24 -2.967 -1.877 -5.635 1.00 60.43 H new ATOM 0 HB2 ARG A 24 -1.767 0.093 -7.597 1.00 73.34 H new ATOM 0 HB3 ARG A 24 -2.300 -1.524 -8.010 1.00 73.34 H new ATOM 0 HG2 ARG A 24 -4.040 0.755 -7.023 1.00 53.34 H new ATOM 0 HG3 ARG A 24 -3.984 0.107 -8.650 1.00 53.34 H new ATOM 0 HD2 ARG A 24 -4.665 -2.161 -7.605 1.00 60.35 H new ATOM 0 HD3 ARG A 24 -5.018 -1.262 -6.142 1.00 60.35 H new ATOM 0 HE ARG A 24 -6.265 -0.475 -8.741 1.00 72.25 H new ATOM 0 HH11 ARG A 24 -6.647 -1.296 -5.315 1.00 4.24 H new ATOM 0 HH12 ARG A 24 -8.405 -1.130 -5.379 1.00 4.24 H new ATOM 0 HH21 ARG A 24 -8.467 -0.324 -8.808 1.00 62.44 H new ATOM 0 HH22 ARG A 24 -9.430 -0.581 -7.349 1.00 62.44 H new ATOM 340 N GLU A 25 -0.754 -3.011 -6.127 1.00 34.03 N ATOM 341 CA GLU A 25 0.503 -3.708 -6.191 1.00 40.33 C ATOM 342 C GLU A 25 1.427 -3.046 -7.221 1.00 25.43 C ATOM 343 O GLU A 25 1.047 -2.813 -8.375 1.00 24.42 O ATOM 344 CB GLU A 25 0.265 -5.200 -6.453 1.00 31.24 C ATOM 345 CG GLU A 25 -0.725 -5.485 -7.572 1.00 61.34 C ATOM 346 CD GLU A 25 -1.054 -6.945 -7.692 1.00 55.35 C ATOM 347 OE1 GLU A 25 -1.805 -7.477 -6.847 1.00 33.00 O ATOM 348 OE2 GLU A 25 -0.567 -7.606 -8.630 1.00 31.13 O ATOM 0 H GLU A 25 -1.565 -3.598 -6.323 1.00 34.03 H new ATOM 0 HA GLU A 25 1.016 -3.640 -5.232 1.00 40.33 H new ATOM 0 HB2 GLU A 25 1.217 -5.671 -6.696 1.00 31.24 H new ATOM 0 HB3 GLU A 25 -0.096 -5.666 -5.536 1.00 31.24 H new ATOM 0 HG2 GLU A 25 -1.642 -4.923 -7.393 1.00 61.34 H new ATOM 0 HG3 GLU A 25 -0.313 -5.130 -8.517 1.00 61.34 H new ATOM 355 N GLY A 26 2.587 -2.692 -6.762 1.00 21.14 N ATOM 356 CA GLY A 26 3.537 -1.944 -7.525 1.00 51.53 C ATOM 357 C GLY A 26 3.864 -0.697 -6.754 1.00 74.42 C ATOM 358 O GLY A 26 3.570 -0.632 -5.558 1.00 14.43 O ATOM 0 H GLY A 26 2.908 -2.921 -5.821 1.00 21.14 H new ATOM 0 HA2 GLY A 26 4.437 -2.533 -7.698 1.00 51.53 H new ATOM 0 HA3 GLY A 26 3.128 -1.692 -8.503 1.00 51.53 H new ATOM 362 N SER A 27 4.451 0.281 -7.363 1.00 10.24 N ATOM 363 CA SER A 27 4.732 1.467 -6.626 1.00 32.24 C ATOM 364 C SER A 27 3.714 2.547 -6.914 1.00 11.31 C ATOM 365 O SER A 27 3.307 2.771 -8.059 1.00 34.30 O ATOM 366 CB SER A 27 6.175 1.952 -6.806 1.00 75.23 C ATOM 367 OG SER A 27 6.485 2.253 -8.165 1.00 22.11 O ATOM 0 H SER A 27 4.738 0.285 -8.342 1.00 10.24 H new ATOM 0 HA SER A 27 4.642 1.214 -5.570 1.00 32.24 H new ATOM 0 HB2 SER A 27 6.335 2.840 -6.195 1.00 75.23 H new ATOM 0 HB3 SER A 27 6.860 1.187 -6.441 1.00 75.23 H new ATOM 0 HG SER A 27 7.414 2.559 -8.229 1.00 22.11 H new ATOM 373 N ASN A 28 3.266 3.163 -5.874 1.00 23.12 N ATOM 374 CA ASN A 28 2.312 4.221 -5.951 1.00 43.55 C ATOM 375 C ASN A 28 3.036 5.468 -5.540 1.00 72.24 C ATOM 376 O ASN A 28 3.452 5.603 -4.388 1.00 31.13 O ATOM 377 CB ASN A 28 1.115 3.930 -5.024 1.00 42.30 C ATOM 378 CG ASN A 28 0.423 2.606 -5.364 1.00 40.22 C ATOM 379 OD1 ASN A 28 -0.511 2.555 -6.171 1.00 30.31 O ATOM 380 ND2 ASN A 28 0.881 1.527 -4.763 1.00 72.42 N ATOM 0 H ASN A 28 3.559 2.941 -4.922 1.00 23.12 H new ATOM 0 HA ASN A 28 1.906 4.328 -6.957 1.00 43.55 H new ATOM 0 HB2 ASN A 28 1.458 3.903 -3.990 1.00 42.30 H new ATOM 0 HB3 ASN A 28 0.394 4.744 -5.099 1.00 42.30 H new ATOM 0 HD21 ASN A 28 0.463 0.618 -4.959 1.00 72.42 H new ATOM 0 HD22 ASN A 28 1.654 1.601 -4.101 1.00 72.42 H new ATOM 387 N ILE A 29 3.256 6.330 -6.488 1.00 52.53 N ATOM 388 CA ILE A 29 4.053 7.519 -6.276 1.00 31.11 C ATOM 389 C ILE A 29 3.149 8.738 -6.115 1.00 71.43 C ATOM 390 O ILE A 29 2.167 8.890 -6.858 1.00 3.41 O ATOM 391 CB ILE A 29 5.018 7.729 -7.477 1.00 62.34 C ATOM 392 CG1 ILE A 29 5.818 6.437 -7.747 1.00 13.40 C ATOM 393 CG2 ILE A 29 5.969 8.908 -7.223 1.00 30.41 C ATOM 394 CD1 ILE A 29 6.760 6.516 -8.926 1.00 12.32 C ATOM 0 H ILE A 29 2.890 6.235 -7.435 1.00 52.53 H new ATOM 0 HA ILE A 29 4.638 7.393 -5.365 1.00 31.11 H new ATOM 0 HB ILE A 29 4.421 7.965 -8.358 1.00 62.34 H new ATOM 0 HG12 ILE A 29 6.393 6.188 -6.855 1.00 13.40 H new ATOM 0 HG13 ILE A 29 5.117 5.619 -7.913 1.00 13.40 H new ATOM 0 HG21 ILE A 29 6.632 9.031 -8.079 1.00 30.41 H new ATOM 0 HG22 ILE A 29 5.388 9.819 -7.079 1.00 30.41 H new ATOM 0 HG23 ILE A 29 6.562 8.711 -6.330 1.00 30.41 H new ATOM 0 HD11 ILE A 29 7.280 5.565 -9.041 1.00 12.32 H new ATOM 0 HD12 ILE A 29 6.192 6.731 -9.831 1.00 12.32 H new ATOM 0 HD13 ILE A 29 7.488 7.309 -8.757 1.00 12.32 H new ATOM 406 N ILE A 30 3.463 9.571 -5.152 1.00 71.01 N ATOM 407 CA ILE A 30 2.713 10.774 -4.882 1.00 12.03 C ATOM 408 C ILE A 30 3.595 11.997 -5.150 1.00 45.51 C ATOM 409 O ILE A 30 4.799 12.007 -4.790 1.00 14.42 O ATOM 410 CB ILE A 30 2.185 10.805 -3.405 1.00 44.32 C ATOM 411 CG1 ILE A 30 1.287 9.579 -3.127 1.00 22.12 C ATOM 412 CG2 ILE A 30 1.444 12.109 -3.110 1.00 1.30 C ATOM 413 CD1 ILE A 30 0.792 9.477 -1.694 1.00 11.24 C ATOM 0 H ILE A 30 4.256 9.431 -4.526 1.00 71.01 H new ATOM 0 HA ILE A 30 1.847 10.791 -5.543 1.00 12.03 H new ATOM 0 HB ILE A 30 3.044 10.758 -2.736 1.00 44.32 H new ATOM 0 HG12 ILE A 30 0.426 9.615 -3.794 1.00 22.12 H new ATOM 0 HG13 ILE A 30 1.842 8.674 -3.372 1.00 22.12 H new ATOM 0 HG21 ILE A 30 1.090 12.101 -2.079 1.00 1.30 H new ATOM 0 HG22 ILE A 30 2.119 12.952 -3.255 1.00 1.30 H new ATOM 0 HG23 ILE A 30 0.594 12.205 -3.785 1.00 1.30 H new ATOM 0 HD11 ILE A 30 0.169 8.589 -1.586 1.00 11.24 H new ATOM 0 HD12 ILE A 30 1.645 9.406 -1.019 1.00 11.24 H new ATOM 0 HD13 ILE A 30 0.206 10.363 -1.447 1.00 11.24 H new ATOM 425 N GLY A 31 3.022 12.974 -5.828 1.00 64.12 N ATOM 426 CA GLY A 31 3.688 14.216 -6.123 1.00 52.53 C ATOM 427 C GLY A 31 3.169 14.790 -7.389 1.00 41.04 C ATOM 428 O GLY A 31 2.230 14.252 -7.954 1.00 2.21 O ATOM 0 H GLY A 31 2.070 12.921 -6.191 1.00 64.12 H new ATOM 0 HA2 GLY A 31 3.535 14.921 -5.306 1.00 52.53 H new ATOM 0 HA3 GLY A 31 4.762 14.050 -6.204 1.00 52.53 H new ATOM 432 N ARG A 32 3.728 15.879 -7.840 1.00 43.11 N ATOM 433 CA ARG A 32 3.261 16.458 -9.065 1.00 2.33 C ATOM 434 C ARG A 32 4.237 16.203 -10.160 1.00 20.04 C ATOM 435 O ARG A 32 5.301 16.829 -10.240 1.00 55.33 O ATOM 436 CB ARG A 32 2.998 17.948 -8.937 1.00 20.13 C ATOM 437 CG ARG A 32 1.840 18.294 -8.039 1.00 43.22 C ATOM 438 CD ARG A 32 1.482 19.759 -8.191 1.00 24.42 C ATOM 439 NE ARG A 32 0.170 20.072 -7.632 1.00 12.42 N ATOM 440 CZ ARG A 32 -0.438 21.255 -7.733 1.00 22.24 C ATOM 441 NH1 ARG A 32 0.225 22.309 -8.190 1.00 61.04 N ATOM 442 NH2 ARG A 32 -1.710 21.375 -7.374 1.00 34.12 N ATOM 0 H ARG A 32 4.495 16.375 -7.386 1.00 43.11 H new ATOM 0 HA ARG A 32 2.311 15.981 -9.304 1.00 2.33 H new ATOM 0 HB2 ARG A 32 3.897 18.433 -8.556 1.00 20.13 H new ATOM 0 HB3 ARG A 32 2.810 18.359 -9.929 1.00 20.13 H new ATOM 0 HG2 ARG A 32 0.979 17.674 -8.288 1.00 43.22 H new ATOM 0 HG3 ARG A 32 2.098 18.080 -7.002 1.00 43.22 H new ATOM 0 HD2 ARG A 32 2.239 20.368 -7.697 1.00 24.42 H new ATOM 0 HD3 ARG A 32 1.497 20.026 -9.248 1.00 24.42 H new ATOM 0 HE ARG A 32 -0.317 19.332 -7.127 1.00 12.42 H new ATOM 0 HH11 ARG A 32 1.203 22.216 -8.465 1.00 61.04 H new ATOM 0 HH12 ARG A 32 -0.243 23.212 -8.266 1.00 61.04 H new ATOM 0 HH21 ARG A 32 -2.219 20.564 -7.022 1.00 34.12 H new ATOM 0 HH22 ARG A 32 -2.178 22.278 -7.450 1.00 34.12 H new ATOM 456 N GLY A 33 3.872 15.304 -10.995 1.00 33.41 N ATOM 457 CA GLY A 33 4.664 14.940 -12.090 1.00 21.25 C ATOM 458 C GLY A 33 4.011 13.824 -12.802 1.00 23.14 C ATOM 459 O GLY A 33 3.158 13.134 -12.216 1.00 71.11 O ATOM 0 H GLY A 33 2.992 14.793 -10.928 1.00 33.41 H new ATOM 0 HA2 GLY A 33 4.794 15.790 -12.760 1.00 21.25 H new ATOM 0 HA3 GLY A 33 5.658 14.643 -11.754 1.00 21.25 H new ATOM 463 N GLN A 34 4.407 13.593 -14.027 1.00 45.25 N ATOM 464 CA GLN A 34 3.877 12.478 -14.797 1.00 41.55 C ATOM 465 C GLN A 34 4.415 11.172 -14.238 1.00 43.30 C ATOM 466 O GLN A 34 3.853 10.111 -14.457 1.00 4.15 O ATOM 467 CB GLN A 34 4.211 12.619 -16.283 1.00 22.12 C ATOM 468 CG GLN A 34 5.697 12.753 -16.597 1.00 53.20 C ATOM 469 CD GLN A 34 5.960 12.893 -18.078 1.00 72.11 C ATOM 470 OE1 GLN A 34 5.127 13.415 -18.823 1.00 35.13 O ATOM 471 NE2 GLN A 34 7.110 12.472 -18.518 1.00 54.02 N ATOM 0 H GLN A 34 5.096 14.159 -14.521 1.00 45.25 H new ATOM 0 HA GLN A 34 2.790 12.479 -14.711 1.00 41.55 H new ATOM 0 HB2 GLN A 34 3.820 11.750 -16.812 1.00 22.12 H new ATOM 0 HB3 GLN A 34 3.691 13.493 -16.676 1.00 22.12 H new ATOM 0 HG2 GLN A 34 6.099 13.621 -16.075 1.00 53.20 H new ATOM 0 HG3 GLN A 34 6.227 11.879 -16.217 1.00 53.20 H new ATOM 0 HE21 GLN A 34 7.777 12.045 -17.875 1.00 54.02 H new ATOM 0 HE22 GLN A 34 7.345 12.569 -19.506 1.00 54.02 H new ATOM 480 N ASP A 35 5.491 11.299 -13.479 1.00 72.13 N ATOM 481 CA ASP A 35 6.169 10.190 -12.818 1.00 21.23 C ATOM 482 C ASP A 35 5.310 9.672 -11.688 1.00 4.54 C ATOM 483 O ASP A 35 5.371 8.499 -11.323 1.00 32.44 O ATOM 484 CB ASP A 35 7.482 10.675 -12.190 1.00 55.20 C ATOM 485 CG ASP A 35 8.409 11.366 -13.143 1.00 60.34 C ATOM 486 OD1 ASP A 35 8.296 12.607 -13.318 1.00 53.43 O ATOM 487 OD2 ASP A 35 9.296 10.716 -13.708 1.00 4.15 O ATOM 0 H ASP A 35 5.931 12.201 -13.299 1.00 72.13 H new ATOM 0 HA ASP A 35 6.357 9.415 -13.561 1.00 21.23 H new ATOM 0 HB2 ASP A 35 7.249 11.356 -11.372 1.00 55.20 H new ATOM 0 HB3 ASP A 35 8.000 9.820 -11.755 1.00 55.20 H new ATOM 492 N ALA A 36 4.521 10.561 -11.129 1.00 44.01 N ATOM 493 CA ALA A 36 3.699 10.248 -9.999 1.00 72.40 C ATOM 494 C ALA A 36 2.368 9.708 -10.444 1.00 5.41 C ATOM 495 O ALA A 36 1.900 10.020 -11.535 1.00 51.33 O ATOM 496 CB ALA A 36 3.503 11.476 -9.136 1.00 62.10 C ATOM 0 H ALA A 36 4.436 11.525 -11.453 1.00 44.01 H new ATOM 0 HA ALA A 36 4.203 9.481 -9.410 1.00 72.40 H new ATOM 0 HB1 ALA A 36 2.876 11.223 -8.281 1.00 62.10 H new ATOM 0 HB2 ALA A 36 4.471 11.832 -8.784 1.00 62.10 H new ATOM 0 HB3 ALA A 36 3.020 12.259 -9.721 1.00 62.10 H new ATOM 502 N GLN A 37 1.757 8.923 -9.594 1.00 22.33 N ATOM 503 CA GLN A 37 0.479 8.334 -9.874 1.00 34.00 C ATOM 504 C GLN A 37 -0.605 9.241 -9.317 1.00 22.44 C ATOM 505 O GLN A 37 -1.582 9.578 -9.998 1.00 63.04 O ATOM 506 CB GLN A 37 0.387 6.949 -9.216 1.00 53.12 C ATOM 507 CG GLN A 37 1.458 5.960 -9.665 1.00 62.23 C ATOM 508 CD GLN A 37 1.426 5.699 -11.157 1.00 14.20 C ATOM 509 OE1 GLN A 37 2.083 6.390 -11.931 1.00 34.10 O ATOM 510 NE2 GLN A 37 0.694 4.703 -11.564 1.00 13.11 N ATOM 0 H GLN A 37 2.138 8.674 -8.681 1.00 22.33 H new ATOM 0 HA GLN A 37 0.351 8.219 -10.950 1.00 34.00 H new ATOM 0 HB2 GLN A 37 0.453 7.070 -8.135 1.00 53.12 H new ATOM 0 HB3 GLN A 37 -0.594 6.524 -9.430 1.00 53.12 H new ATOM 0 HG2 GLN A 37 2.440 6.344 -9.389 1.00 62.23 H new ATOM 0 HG3 GLN A 37 1.323 5.018 -9.133 1.00 62.23 H new ATOM 0 HE21 GLN A 37 0.162 4.152 -10.890 1.00 13.11 H new ATOM 0 HE22 GLN A 37 0.652 4.473 -12.557 1.00 13.11 H new ATOM 519 N PHE A 38 -0.396 9.665 -8.093 1.00 64.43 N ATOM 520 CA PHE A 38 -1.318 10.517 -7.394 1.00 62.45 C ATOM 521 C PHE A 38 -0.693 11.884 -7.206 1.00 21.14 C ATOM 522 O PHE A 38 0.361 12.019 -6.574 1.00 73.22 O ATOM 523 CB PHE A 38 -1.692 9.882 -6.045 1.00 52.15 C ATOM 524 CG PHE A 38 -2.560 10.735 -5.151 1.00 24.32 C ATOM 525 CD1 PHE A 38 -3.911 10.904 -5.410 1.00 31.51 C ATOM 526 CD2 PHE A 38 -2.022 11.349 -4.038 1.00 54.14 C ATOM 527 CE1 PHE A 38 -4.697 11.672 -4.569 1.00 40.35 C ATOM 528 CE2 PHE A 38 -2.787 12.110 -3.202 1.00 33.20 C ATOM 529 CZ PHE A 38 -4.133 12.277 -3.461 1.00 62.41 C ATOM 0 H PHE A 38 0.433 9.422 -7.550 1.00 64.43 H new ATOM 0 HA PHE A 38 -2.233 10.634 -7.975 1.00 62.45 H new ATOM 0 HB2 PHE A 38 -2.208 8.941 -6.235 1.00 52.15 H new ATOM 0 HB3 PHE A 38 -0.774 9.639 -5.509 1.00 52.15 H new ATOM 0 HD1 PHE A 38 -4.354 10.433 -6.275 1.00 31.51 H new ATOM 0 HD2 PHE A 38 -0.971 11.224 -3.824 1.00 54.14 H new ATOM 0 HE1 PHE A 38 -5.749 11.799 -4.778 1.00 40.35 H new ATOM 0 HE2 PHE A 38 -2.340 12.581 -2.339 1.00 33.20 H new ATOM 0 HZ PHE A 38 -4.742 12.877 -2.801 1.00 62.41 H new ATOM 539 N ARG A 39 -1.305 12.881 -7.782 1.00 12.05 N ATOM 540 CA ARG A 39 -0.804 14.224 -7.673 1.00 1.34 C ATOM 541 C ARG A 39 -1.529 14.951 -6.558 1.00 22.00 C ATOM 542 O ARG A 39 -2.743 14.810 -6.405 1.00 13.41 O ATOM 543 CB ARG A 39 -0.916 15.009 -9.011 1.00 14.51 C ATOM 544 CG ARG A 39 -0.046 14.479 -10.173 1.00 64.03 C ATOM 545 CD ARG A 39 -0.581 13.180 -10.753 1.00 63.21 C ATOM 546 NE ARG A 39 0.309 12.583 -11.757 1.00 62.11 N ATOM 547 CZ ARG A 39 -0.063 12.184 -12.983 1.00 33.24 C ATOM 548 NH1 ARG A 39 -1.234 12.561 -13.491 1.00 14.54 N ATOM 549 NH2 ARG A 39 0.762 11.451 -13.716 1.00 70.00 N ATOM 0 H ARG A 39 -2.157 12.788 -8.335 1.00 12.05 H new ATOM 0 HA ARG A 39 0.258 14.165 -7.436 1.00 1.34 H new ATOM 0 HB2 ARG A 39 -1.958 15.002 -9.329 1.00 14.51 H new ATOM 0 HB3 ARG A 39 -0.647 16.049 -8.825 1.00 14.51 H new ATOM 0 HG2 ARG A 39 0.002 15.232 -10.960 1.00 64.03 H new ATOM 0 HG3 ARG A 39 0.973 14.323 -9.818 1.00 64.03 H new ATOM 0 HD2 ARG A 39 -0.736 12.466 -9.944 1.00 63.21 H new ATOM 0 HD3 ARG A 39 -1.555 13.366 -11.205 1.00 63.21 H new ATOM 0 HE ARG A 39 1.289 12.462 -11.502 1.00 62.11 H new ATOM 0 HH11 ARG A 39 -1.857 13.158 -12.947 1.00 14.54 H new ATOM 0 HH12 ARG A 39 -1.508 12.253 -14.424 1.00 14.54 H new ATOM 0 HH21 ARG A 39 1.677 11.191 -13.348 1.00 70.00 H new ATOM 0 HH22 ARG A 39 0.482 11.146 -14.648 1.00 70.00 H new ATOM 563 N LEU A 40 -0.791 15.685 -5.755 1.00 23.34 N ATOM 564 CA LEU A 40 -1.380 16.449 -4.667 1.00 75.52 C ATOM 565 C LEU A 40 -1.907 17.785 -5.181 1.00 45.24 C ATOM 566 O LEU A 40 -1.328 18.362 -6.109 1.00 22.01 O ATOM 567 CB LEU A 40 -0.363 16.705 -3.539 1.00 30.44 C ATOM 568 CG LEU A 40 0.079 15.506 -2.698 1.00 31.55 C ATOM 569 CD1 LEU A 40 1.138 15.936 -1.697 1.00 52.35 C ATOM 570 CD2 LEU A 40 -1.109 14.914 -1.955 1.00 53.50 C ATOM 0 H LEU A 40 0.222 15.772 -5.832 1.00 23.34 H new ATOM 0 HA LEU A 40 -2.203 15.859 -4.264 1.00 75.52 H new ATOM 0 HB2 LEU A 40 0.527 17.150 -3.984 1.00 30.44 H new ATOM 0 HB3 LEU A 40 -0.788 17.449 -2.866 1.00 30.44 H new ATOM 0 HG LEU A 40 0.495 14.750 -3.364 1.00 31.55 H new ATOM 0 HD11 LEU A 40 1.447 15.076 -1.102 1.00 52.35 H new ATOM 0 HD12 LEU A 40 2.000 16.338 -2.229 1.00 52.35 H new ATOM 0 HD13 LEU A 40 0.728 16.703 -1.040 1.00 52.35 H new ATOM 0 HD21 LEU A 40 -0.779 14.062 -1.361 1.00 53.50 H new ATOM 0 HD22 LEU A 40 -1.540 15.669 -1.298 1.00 53.50 H new ATOM 0 HD23 LEU A 40 -1.861 14.586 -2.673 1.00 53.50 H new ATOM 582 N PRO A 41 -3.007 18.304 -4.600 1.00 61.30 N ATOM 583 CA PRO A 41 -3.567 19.611 -4.969 1.00 4.44 C ATOM 584 C PRO A 41 -2.805 20.780 -4.315 1.00 64.35 C ATOM 585 O PRO A 41 -3.255 21.933 -4.344 1.00 15.22 O ATOM 586 CB PRO A 41 -5.015 19.557 -4.448 1.00 44.14 C ATOM 587 CG PRO A 41 -5.207 18.175 -3.916 1.00 2.10 C ATOM 588 CD PRO A 41 -3.843 17.653 -3.581 1.00 14.15 C ATOM 0 HA PRO A 41 -3.498 19.787 -6.043 1.00 4.44 H new ATOM 0 HB2 PRO A 41 -5.178 20.302 -3.669 1.00 44.14 H new ATOM 0 HB3 PRO A 41 -5.726 19.770 -5.246 1.00 44.14 H new ATOM 0 HG2 PRO A 41 -5.846 18.185 -3.033 1.00 2.10 H new ATOM 0 HG3 PRO A 41 -5.695 17.539 -4.655 1.00 2.10 H new ATOM 0 HD2 PRO A 41 -3.539 17.925 -2.570 1.00 14.15 H new ATOM 0 HD3 PRO A 41 -3.795 16.566 -3.647 1.00 14.15 H new ATOM 596 N ASP A 42 -1.655 20.480 -3.759 1.00 74.34 N ATOM 597 CA ASP A 42 -0.808 21.479 -3.127 1.00 54.12 C ATOM 598 C ASP A 42 0.495 21.629 -3.859 1.00 4.12 C ATOM 599 O ASP A 42 0.956 20.695 -4.515 1.00 2.04 O ATOM 600 CB ASP A 42 -0.531 21.169 -1.646 1.00 25.12 C ATOM 601 CG ASP A 42 -1.636 21.618 -0.726 1.00 23.23 C ATOM 602 OD1 ASP A 42 -1.687 22.827 -0.400 1.00 15.14 O ATOM 603 OD2 ASP A 42 -2.463 20.788 -0.295 1.00 22.40 O ATOM 0 H ASP A 42 -1.274 19.534 -3.729 1.00 74.34 H new ATOM 0 HA ASP A 42 -1.361 22.417 -3.176 1.00 54.12 H new ATOM 0 HB2 ASP A 42 -0.383 20.095 -1.528 1.00 25.12 H new ATOM 0 HB3 ASP A 42 0.399 21.653 -1.349 1.00 25.12 H new ATOM 608 N THR A 43 1.062 22.799 -3.759 1.00 12.05 N ATOM 609 CA THR A 43 2.335 23.107 -4.347 1.00 41.05 C ATOM 610 C THR A 43 3.410 22.901 -3.265 1.00 74.22 C ATOM 611 O THR A 43 3.115 23.039 -2.076 1.00 2.41 O ATOM 612 CB THR A 43 2.341 24.588 -4.825 1.00 32.01 C ATOM 613 OG1 THR A 43 1.213 24.825 -5.695 1.00 15.21 O ATOM 614 CG2 THR A 43 3.624 24.934 -5.570 1.00 40.21 C ATOM 0 H THR A 43 0.643 23.581 -3.256 1.00 12.05 H new ATOM 0 HA THR A 43 2.531 22.464 -5.205 1.00 41.05 H new ATOM 0 HB THR A 43 2.276 25.221 -3.940 1.00 32.01 H new ATOM 0 HG1 THR A 43 1.220 25.759 -5.992 1.00 15.21 H new ATOM 0 HG21 THR A 43 3.590 25.976 -5.888 1.00 40.21 H new ATOM 0 HG22 THR A 43 4.479 24.783 -4.911 1.00 40.21 H new ATOM 0 HG23 THR A 43 3.722 24.291 -6.445 1.00 40.21 H new ATOM 622 N GLY A 44 4.617 22.571 -3.661 1.00 64.34 N ATOM 623 CA GLY A 44 5.685 22.343 -2.707 1.00 63.30 C ATOM 624 C GLY A 44 6.084 20.899 -2.707 1.00 45.51 C ATOM 625 O GLY A 44 7.056 20.496 -2.071 1.00 33.03 O ATOM 0 H GLY A 44 4.887 22.454 -4.637 1.00 64.34 H new ATOM 0 HA2 GLY A 44 6.545 22.965 -2.958 1.00 63.30 H new ATOM 0 HA3 GLY A 44 5.359 22.637 -1.709 1.00 63.30 H new ATOM 629 N VAL A 45 5.332 20.132 -3.435 1.00 22.33 N ATOM 630 CA VAL A 45 5.568 18.734 -3.579 1.00 4.51 C ATOM 631 C VAL A 45 6.314 18.493 -4.904 1.00 31.20 C ATOM 632 O VAL A 45 6.019 19.140 -5.919 1.00 51.43 O ATOM 633 CB VAL A 45 4.219 17.945 -3.523 1.00 22.11 C ATOM 634 CG1 VAL A 45 3.279 18.333 -4.651 1.00 42.50 C ATOM 635 CG2 VAL A 45 4.449 16.455 -3.506 1.00 32.11 C ATOM 0 H VAL A 45 4.522 20.470 -3.955 1.00 22.33 H new ATOM 0 HA VAL A 45 6.185 18.371 -2.757 1.00 4.51 H new ATOM 0 HB VAL A 45 3.735 18.223 -2.587 1.00 22.11 H new ATOM 0 HG11 VAL A 45 2.356 17.759 -4.570 1.00 42.50 H new ATOM 0 HG12 VAL A 45 3.051 19.397 -4.585 1.00 42.50 H new ATOM 0 HG13 VAL A 45 3.754 18.122 -5.609 1.00 42.50 H new ATOM 0 HG21 VAL A 45 3.490 15.939 -3.467 1.00 32.11 H new ATOM 0 HG22 VAL A 45 4.984 16.159 -4.409 1.00 32.11 H new ATOM 0 HG23 VAL A 45 5.040 16.188 -2.630 1.00 32.11 H new ATOM 645 N SER A 46 7.281 17.620 -4.885 1.00 61.11 N ATOM 646 CA SER A 46 8.068 17.338 -6.063 1.00 2.02 C ATOM 647 C SER A 46 7.344 16.350 -6.998 1.00 12.11 C ATOM 648 O SER A 46 6.265 15.854 -6.667 1.00 23.34 O ATOM 649 CB SER A 46 9.412 16.771 -5.638 1.00 44.41 C ATOM 650 OG SER A 46 10.079 17.653 -4.747 1.00 60.23 O ATOM 0 H SER A 46 7.549 17.084 -4.060 1.00 61.11 H new ATOM 0 HA SER A 46 8.215 18.266 -6.616 1.00 2.02 H new ATOM 0 HB2 SER A 46 9.267 15.804 -5.157 1.00 44.41 H new ATOM 0 HB3 SER A 46 10.033 16.599 -6.518 1.00 44.41 H new ATOM 0 HG SER A 46 10.940 17.265 -4.487 1.00 60.23 H new ATOM 656 N ARG A 47 7.943 16.092 -8.167 1.00 23.32 N ATOM 657 CA ARG A 47 7.421 15.121 -9.146 1.00 54.41 C ATOM 658 C ARG A 47 7.357 13.726 -8.561 1.00 44.41 C ATOM 659 O ARG A 47 6.452 12.957 -8.851 1.00 62.25 O ATOM 660 CB ARG A 47 8.239 15.150 -10.454 1.00 10.40 C ATOM 661 CG ARG A 47 9.740 15.131 -10.246 1.00 51.24 C ATOM 662 CD ARG A 47 10.505 15.221 -11.552 1.00 50.33 C ATOM 663 NE ARG A 47 10.494 13.970 -12.320 1.00 63.34 N ATOM 664 CZ ARG A 47 11.601 13.394 -12.830 1.00 4.13 C ATOM 665 NH1 ARG A 47 12.810 13.882 -12.540 1.00 22.54 N ATOM 666 NH2 ARG A 47 11.499 12.300 -13.567 1.00 74.03 N ATOM 0 H ARG A 47 8.805 16.550 -8.464 1.00 23.32 H new ATOM 0 HA ARG A 47 6.401 15.417 -9.392 1.00 54.41 H new ATOM 0 HB2 ARG A 47 7.957 14.293 -11.065 1.00 10.40 H new ATOM 0 HB3 ARG A 47 7.972 16.045 -11.017 1.00 10.40 H new ATOM 0 HG2 ARG A 47 10.026 15.963 -9.603 1.00 51.24 H new ATOM 0 HG3 ARG A 47 10.021 14.215 -9.726 1.00 51.24 H new ATOM 0 HD2 ARG A 47 10.077 16.017 -12.161 1.00 50.33 H new ATOM 0 HD3 ARG A 47 11.537 15.501 -11.342 1.00 50.33 H new ATOM 0 HE ARG A 47 9.597 13.510 -12.477 1.00 63.34 H new ATOM 0 HH11 ARG A 47 12.899 14.694 -11.930 1.00 22.54 H new ATOM 0 HH12 ARG A 47 13.644 13.442 -12.929 1.00 22.54 H new ATOM 0 HH21 ARG A 47 10.582 11.892 -13.750 1.00 74.03 H new ATOM 0 HH22 ARG A 47 12.337 11.865 -13.953 1.00 74.03 H new ATOM 680 N ARG A 48 8.323 13.414 -7.756 1.00 25.13 N ATOM 681 CA ARG A 48 8.355 12.189 -7.022 1.00 73.15 C ATOM 682 C ARG A 48 8.683 12.578 -5.616 1.00 44.01 C ATOM 683 O ARG A 48 9.815 12.876 -5.325 1.00 33.14 O ATOM 684 CB ARG A 48 9.433 11.223 -7.566 1.00 71.45 C ATOM 685 CG ARG A 48 9.284 10.887 -9.040 1.00 35.33 C ATOM 686 CD ARG A 48 10.363 9.930 -9.532 1.00 52.42 C ATOM 687 NE ARG A 48 10.267 8.600 -8.906 1.00 74.32 N ATOM 688 CZ ARG A 48 10.293 7.434 -9.574 1.00 43.52 C ATOM 689 NH1 ARG A 48 10.410 7.412 -10.901 1.00 72.55 N ATOM 690 NH2 ARG A 48 10.222 6.292 -8.912 1.00 15.32 N ATOM 0 H ARG A 48 9.128 14.017 -7.587 1.00 25.13 H new ATOM 0 HA ARG A 48 7.403 11.664 -7.101 1.00 73.15 H new ATOM 0 HB2 ARG A 48 10.416 11.665 -7.404 1.00 71.45 H new ATOM 0 HB3 ARG A 48 9.400 10.299 -6.989 1.00 71.45 H new ATOM 0 HG2 ARG A 48 8.303 10.443 -9.211 1.00 35.33 H new ATOM 0 HG3 ARG A 48 9.324 11.806 -9.625 1.00 35.33 H new ATOM 0 HD2 ARG A 48 10.285 9.825 -10.614 1.00 52.42 H new ATOM 0 HD3 ARG A 48 11.344 10.356 -9.323 1.00 52.42 H new ATOM 0 HE ARG A 48 10.174 8.561 -7.891 1.00 74.32 H new ATOM 0 HH11 ARG A 48 10.481 8.286 -11.421 1.00 72.55 H new ATOM 0 HH12 ARG A 48 10.429 6.521 -11.397 1.00 72.55 H new ATOM 0 HH21 ARG A 48 10.148 6.296 -7.895 1.00 15.32 H new ATOM 0 HH22 ARG A 48 10.242 5.407 -9.418 1.00 15.32 H new ATOM 704 N HIS A 49 7.684 12.693 -4.793 1.00 52.44 N ATOM 705 CA HIS A 49 7.889 13.102 -3.412 1.00 4.31 C ATOM 706 C HIS A 49 7.973 11.892 -2.533 1.00 34.43 C ATOM 707 O HIS A 49 8.719 11.854 -1.568 1.00 14.03 O ATOM 708 CB HIS A 49 6.753 14.029 -2.932 1.00 25.10 C ATOM 709 CG HIS A 49 6.859 14.431 -1.478 1.00 42.33 C ATOM 710 ND1 HIS A 49 7.524 15.560 -1.095 1.00 21.42 N ATOM 711 CD2 HIS A 49 6.426 13.773 -0.373 1.00 61.51 C ATOM 712 CE1 HIS A 49 7.495 15.553 0.227 1.00 64.10 C ATOM 713 NE2 HIS A 49 6.844 14.489 0.711 1.00 35.13 N ATOM 0 H HIS A 49 6.712 12.512 -5.043 1.00 52.44 H new ATOM 0 HA HIS A 49 8.825 13.658 -3.354 1.00 4.31 H new ATOM 0 HB2 HIS A 49 6.748 14.929 -3.547 1.00 25.10 H new ATOM 0 HB3 HIS A 49 5.798 13.528 -3.091 1.00 25.10 H new ATOM 0 HD1 HIS A 49 7.952 16.260 -1.700 1.00 21.42 H new ATOM 0 HD2 HIS A 49 5.857 12.855 -0.355 1.00 61.51 H new ATOM 0 HE1 HIS A 49 7.944 16.317 0.844 1.00 64.10 H new ATOM 721 N LEU A 50 7.190 10.925 -2.842 1.00 74.41 N ATOM 722 CA LEU A 50 7.183 9.734 -2.076 1.00 14.12 C ATOM 723 C LEU A 50 6.614 8.634 -2.891 1.00 23.42 C ATOM 724 O LEU A 50 5.707 8.853 -3.702 1.00 10.14 O ATOM 725 CB LEU A 50 6.433 9.965 -0.739 1.00 13.10 C ATOM 726 CG LEU A 50 6.183 8.761 0.177 1.00 24.20 C ATOM 727 CD1 LEU A 50 6.060 9.243 1.599 1.00 63.42 C ATOM 728 CD2 LEU A 50 4.885 8.057 -0.203 1.00 74.44 C ATOM 0 H LEU A 50 6.540 10.936 -3.628 1.00 74.41 H new ATOM 0 HA LEU A 50 8.198 9.442 -1.807 1.00 14.12 H new ATOM 0 HB2 LEU A 50 6.994 10.705 -0.168 1.00 13.10 H new ATOM 0 HB3 LEU A 50 5.466 10.409 -0.974 1.00 13.10 H new ATOM 0 HG LEU A 50 7.015 8.065 0.072 1.00 24.20 H new ATOM 0 HD11 LEU A 50 5.882 8.393 2.257 1.00 63.42 H new ATOM 0 HD12 LEU A 50 6.982 9.744 1.894 1.00 63.42 H new ATOM 0 HD13 LEU A 50 5.227 9.942 1.676 1.00 63.42 H new ATOM 0 HD21 LEU A 50 4.726 7.206 0.459 1.00 74.44 H new ATOM 0 HD22 LEU A 50 4.052 8.753 -0.106 1.00 74.44 H new ATOM 0 HD23 LEU A 50 4.948 7.709 -1.234 1.00 74.44 H new ATOM 740 N GLU A 51 7.155 7.479 -2.721 1.00 63.33 N ATOM 741 CA GLU A 51 6.712 6.338 -3.435 1.00 51.54 C ATOM 742 C GLU A 51 6.563 5.152 -2.521 1.00 33.23 C ATOM 743 O GLU A 51 7.481 4.801 -1.763 1.00 34.31 O ATOM 744 CB GLU A 51 7.644 6.026 -4.597 1.00 21.33 C ATOM 745 CG GLU A 51 9.110 5.996 -4.226 1.00 52.43 C ATOM 746 CD GLU A 51 9.949 5.454 -5.336 1.00 13.30 C ATOM 747 OE1 GLU A 51 10.294 6.206 -6.264 1.00 74.11 O ATOM 748 OE2 GLU A 51 10.252 4.237 -5.313 1.00 62.32 O ATOM 0 H GLU A 51 7.925 7.300 -2.076 1.00 63.33 H new ATOM 0 HA GLU A 51 5.729 6.562 -3.849 1.00 51.54 H new ATOM 0 HB2 GLU A 51 7.368 5.060 -5.020 1.00 21.33 H new ATOM 0 HB3 GLU A 51 7.494 6.771 -5.379 1.00 21.33 H new ATOM 0 HG2 GLU A 51 9.443 7.003 -3.976 1.00 52.43 H new ATOM 0 HG3 GLU A 51 9.247 5.385 -3.334 1.00 52.43 H new ATOM 755 N ILE A 52 5.413 4.564 -2.555 1.00 41.21 N ATOM 756 CA ILE A 52 5.151 3.396 -1.782 1.00 32.44 C ATOM 757 C ILE A 52 5.191 2.203 -2.694 1.00 31.05 C ATOM 758 O ILE A 52 4.346 2.077 -3.586 1.00 25.24 O ATOM 759 CB ILE A 52 3.761 3.443 -1.111 1.00 1.23 C ATOM 760 CG1 ILE A 52 3.633 4.690 -0.226 1.00 53.23 C ATOM 761 CG2 ILE A 52 3.555 2.175 -0.289 1.00 72.42 C ATOM 762 CD1 ILE A 52 2.263 4.886 0.395 1.00 45.12 C ATOM 0 H ILE A 52 4.626 4.881 -3.121 1.00 41.21 H new ATOM 0 HA ILE A 52 5.906 3.335 -0.999 1.00 32.44 H new ATOM 0 HB ILE A 52 2.991 3.499 -1.880 1.00 1.23 H new ATOM 0 HG12 ILE A 52 4.374 4.631 0.571 1.00 53.23 H new ATOM 0 HG13 ILE A 52 3.876 5.569 -0.823 1.00 53.23 H new ATOM 0 HG21 ILE A 52 2.575 2.205 0.186 1.00 72.42 H new ATOM 0 HG22 ILE A 52 3.615 1.304 -0.942 1.00 72.42 H new ATOM 0 HG23 ILE A 52 4.328 2.108 0.477 1.00 72.42 H new ATOM 0 HD11 ILE A 52 2.265 5.791 1.003 1.00 45.12 H new ATOM 0 HD12 ILE A 52 1.516 4.981 -0.393 1.00 45.12 H new ATOM 0 HD13 ILE A 52 2.022 4.028 1.022 1.00 45.12 H new ATOM 774 N ARG A 53 6.156 1.358 -2.515 1.00 43.43 N ATOM 775 CA ARG A 53 6.221 0.174 -3.300 1.00 13.11 C ATOM 776 C ARG A 53 5.482 -0.882 -2.521 1.00 34.22 C ATOM 777 O ARG A 53 5.937 -1.334 -1.472 1.00 72.43 O ATOM 778 CB ARG A 53 7.677 -0.253 -3.572 1.00 53.30 C ATOM 779 CG ARG A 53 7.876 -1.063 -4.863 1.00 60.24 C ATOM 780 CD ARG A 53 7.150 -2.396 -4.863 1.00 21.14 C ATOM 781 NE ARG A 53 7.187 -3.021 -6.188 1.00 24.15 N ATOM 782 CZ ARG A 53 7.401 -4.313 -6.431 1.00 21.24 C ATOM 783 NH1 ARG A 53 7.733 -5.137 -5.442 1.00 3.24 N ATOM 784 NH2 ARG A 53 7.329 -4.770 -7.682 1.00 14.43 N ATOM 0 H ARG A 53 6.907 1.468 -1.833 1.00 43.43 H new ATOM 0 HA ARG A 53 5.773 0.334 -4.281 1.00 13.11 H new ATOM 0 HB2 ARG A 53 8.301 0.640 -3.619 1.00 53.30 H new ATOM 0 HB3 ARG A 53 8.032 -0.846 -2.729 1.00 53.30 H new ATOM 0 HG2 ARG A 53 7.530 -0.471 -5.710 1.00 60.24 H new ATOM 0 HG3 ARG A 53 8.941 -1.239 -5.011 1.00 60.24 H new ATOM 0 HD2 ARG A 53 7.607 -3.062 -4.131 1.00 21.14 H new ATOM 0 HD3 ARG A 53 6.114 -2.249 -4.556 1.00 21.14 H new ATOM 0 HE ARG A 53 7.036 -2.414 -6.994 1.00 24.15 H new ATOM 0 HH11 ARG A 53 7.825 -4.781 -4.491 1.00 3.24 H new ATOM 0 HH12 ARG A 53 7.896 -6.125 -5.635 1.00 3.24 H new ATOM 0 HH21 ARG A 53 7.111 -4.131 -8.447 1.00 14.43 H new ATOM 0 HH22 ARG A 53 7.492 -5.758 -7.874 1.00 14.43 H new ATOM 798 N TRP A 54 4.342 -1.218 -2.994 1.00 62.24 N ATOM 799 CA TRP A 54 3.523 -2.180 -2.357 1.00 42.32 C ATOM 800 C TRP A 54 3.564 -3.470 -3.133 1.00 51.12 C ATOM 801 O TRP A 54 3.059 -3.556 -4.243 1.00 3.33 O ATOM 802 CB TRP A 54 2.084 -1.635 -2.193 1.00 40.02 C ATOM 803 CG TRP A 54 1.039 -2.656 -1.765 1.00 72.44 C ATOM 804 CD1 TRP A 54 -0.120 -2.947 -2.414 1.00 31.10 C ATOM 805 CD2 TRP A 54 1.076 -3.530 -0.623 1.00 55.55 C ATOM 806 NE1 TRP A 54 -0.815 -3.920 -1.738 1.00 1.33 N ATOM 807 CE2 TRP A 54 -0.100 -4.302 -0.645 1.00 63.31 C ATOM 808 CE3 TRP A 54 1.977 -3.730 0.407 1.00 22.34 C ATOM 809 CZ2 TRP A 54 -0.388 -5.260 0.326 1.00 60.40 C ATOM 810 CZ3 TRP A 54 1.702 -4.676 1.371 1.00 10.11 C ATOM 811 CH2 TRP A 54 0.526 -5.435 1.326 1.00 63.44 C ATOM 0 H TRP A 54 3.944 -0.827 -3.848 1.00 62.24 H new ATOM 0 HA TRP A 54 3.900 -2.385 -1.355 1.00 42.32 H new ATOM 0 HB2 TRP A 54 2.101 -0.830 -1.459 1.00 40.02 H new ATOM 0 HB3 TRP A 54 1.771 -1.196 -3.140 1.00 40.02 H new ATOM 0 HD1 TRP A 54 -0.448 -2.479 -3.331 1.00 31.10 H new ATOM 0 HE1 TRP A 54 -1.723 -4.296 -2.012 1.00 1.33 H new ATOM 0 HE3 TRP A 54 2.887 -3.151 0.456 1.00 22.34 H new ATOM 0 HZ2 TRP A 54 -1.298 -5.841 0.289 1.00 60.40 H new ATOM 0 HZ3 TRP A 54 2.406 -4.835 2.175 1.00 10.11 H new ATOM 0 HH2 TRP A 54 0.339 -6.171 2.094 1.00 63.44 H new ATOM 822 N ASP A 55 4.210 -4.435 -2.580 1.00 60.51 N ATOM 823 CA ASP A 55 4.276 -5.741 -3.184 1.00 15.04 C ATOM 824 C ASP A 55 3.329 -6.606 -2.401 1.00 42.34 C ATOM 825 O ASP A 55 2.971 -6.239 -1.282 1.00 52.25 O ATOM 826 CB ASP A 55 5.702 -6.307 -3.087 1.00 63.30 C ATOM 827 CG ASP A 55 5.890 -7.599 -3.863 1.00 72.43 C ATOM 828 OD1 ASP A 55 5.663 -8.686 -3.308 1.00 52.15 O ATOM 829 OD2 ASP A 55 6.269 -7.540 -5.049 1.00 11.22 O ATOM 0 H ASP A 55 4.712 -4.353 -1.696 1.00 60.51 H new ATOM 0 HA ASP A 55 4.011 -5.702 -4.241 1.00 15.04 H new ATOM 0 HB2 ASP A 55 6.407 -5.563 -3.458 1.00 63.30 H new ATOM 0 HB3 ASP A 55 5.945 -6.482 -2.039 1.00 63.30 H new ATOM 834 N GLY A 56 2.919 -7.722 -2.939 1.00 64.02 N ATOM 835 CA GLY A 56 2.029 -8.601 -2.216 1.00 24.35 C ATOM 836 C GLY A 56 2.759 -9.381 -1.138 1.00 11.24 C ATOM 837 O GLY A 56 2.799 -10.610 -1.177 1.00 53.22 O ATOM 0 H GLY A 56 3.182 -8.047 -3.869 1.00 64.02 H new ATOM 0 HA2 GLY A 56 1.229 -8.015 -1.762 1.00 24.35 H new ATOM 0 HA3 GLY A 56 1.560 -9.296 -2.912 1.00 24.35 H new ATOM 841 N GLN A 57 3.343 -8.648 -0.201 1.00 70.44 N ATOM 842 CA GLN A 57 4.117 -9.180 0.897 1.00 43.12 C ATOM 843 C GLN A 57 4.586 -8.038 1.805 1.00 24.41 C ATOM 844 O GLN A 57 4.392 -8.081 3.014 1.00 32.02 O ATOM 845 CB GLN A 57 5.329 -9.992 0.390 1.00 61.22 C ATOM 846 CG GLN A 57 6.205 -10.572 1.494 1.00 42.12 C ATOM 847 CD GLN A 57 5.448 -11.448 2.473 1.00 72.01 C ATOM 848 OE1 GLN A 57 4.455 -12.101 2.125 1.00 35.22 O ATOM 849 NE2 GLN A 57 5.904 -11.470 3.697 1.00 31.35 N ATOM 0 H GLN A 57 3.285 -7.630 -0.190 1.00 70.44 H new ATOM 0 HA GLN A 57 3.479 -9.855 1.467 1.00 43.12 H new ATOM 0 HB2 GLN A 57 4.968 -10.808 -0.237 1.00 61.22 H new ATOM 0 HB3 GLN A 57 5.941 -9.350 -0.244 1.00 61.22 H new ATOM 0 HG2 GLN A 57 7.006 -11.156 1.041 1.00 42.12 H new ATOM 0 HG3 GLN A 57 6.676 -9.754 2.040 1.00 42.12 H new ATOM 0 HE21 GLN A 57 6.725 -10.918 3.945 1.00 31.35 H new ATOM 0 HE22 GLN A 57 5.439 -12.039 4.404 1.00 31.35 H new ATOM 858 N VAL A 58 5.183 -7.009 1.221 1.00 34.11 N ATOM 859 CA VAL A 58 5.721 -5.899 2.010 1.00 23.04 C ATOM 860 C VAL A 58 5.297 -4.545 1.477 1.00 64.42 C ATOM 861 O VAL A 58 5.145 -4.353 0.257 1.00 31.03 O ATOM 862 CB VAL A 58 7.277 -5.926 2.138 1.00 25.22 C ATOM 863 CG1 VAL A 58 7.741 -7.082 3.002 1.00 74.25 C ATOM 864 CG2 VAL A 58 7.942 -5.994 0.765 1.00 14.21 C ATOM 0 H VAL A 58 5.309 -6.915 0.213 1.00 34.11 H new ATOM 0 HA VAL A 58 5.293 -6.044 3.002 1.00 23.04 H new ATOM 0 HB VAL A 58 7.577 -4.997 2.622 1.00 25.22 H new ATOM 0 HG11 VAL A 58 8.829 -7.071 3.070 1.00 74.25 H new ATOM 0 HG12 VAL A 58 7.314 -6.985 4.000 1.00 74.25 H new ATOM 0 HG13 VAL A 58 7.414 -8.022 2.558 1.00 74.25 H new ATOM 0 HG21 VAL A 58 9.025 -6.012 0.886 1.00 14.21 H new ATOM 0 HG22 VAL A 58 7.620 -6.898 0.249 1.00 14.21 H new ATOM 0 HG23 VAL A 58 7.656 -5.121 0.179 1.00 14.21 H new ATOM 874 N ALA A 59 5.091 -3.621 2.392 1.00 2.32 N ATOM 875 CA ALA A 59 4.747 -2.261 2.066 1.00 24.14 C ATOM 876 C ALA A 59 5.938 -1.365 2.324 1.00 62.12 C ATOM 877 O ALA A 59 6.251 -1.012 3.479 1.00 72.01 O ATOM 878 CB ALA A 59 3.550 -1.807 2.873 1.00 0.01 C ATOM 0 H ALA A 59 5.160 -3.800 3.394 1.00 2.32 H new ATOM 0 HA ALA A 59 4.480 -2.202 1.011 1.00 24.14 H new ATOM 0 HB1 ALA A 59 3.305 -0.777 2.613 1.00 0.01 H new ATOM 0 HB2 ALA A 59 2.698 -2.449 2.652 1.00 0.01 H new ATOM 0 HB3 ALA A 59 3.784 -1.867 3.936 1.00 0.01 H new ATOM 884 N LEU A 60 6.595 -1.014 1.266 1.00 23.34 N ATOM 885 CA LEU A 60 7.800 -0.238 1.319 1.00 72.33 C ATOM 886 C LEU A 60 7.503 1.248 1.154 1.00 21.12 C ATOM 887 O LEU A 60 7.117 1.705 0.076 1.00 62.04 O ATOM 888 CB LEU A 60 8.735 -0.723 0.219 1.00 35.23 C ATOM 889 CG LEU A 60 10.094 -0.053 0.111 1.00 74.41 C ATOM 890 CD1 LEU A 60 10.911 -0.291 1.370 1.00 62.43 C ATOM 891 CD2 LEU A 60 10.811 -0.582 -1.108 1.00 11.34 C ATOM 0 H LEU A 60 6.306 -1.262 0.320 1.00 23.34 H new ATOM 0 HA LEU A 60 8.273 -0.367 2.293 1.00 72.33 H new ATOM 0 HB2 LEU A 60 8.897 -1.792 0.361 1.00 35.23 H new ATOM 0 HB3 LEU A 60 8.223 -0.602 -0.736 1.00 35.23 H new ATOM 0 HG LEU A 60 9.960 1.024 0.006 1.00 74.41 H new ATOM 0 HD11 LEU A 60 11.881 0.197 1.272 1.00 62.43 H new ATOM 0 HD12 LEU A 60 10.383 0.121 2.230 1.00 62.43 H new ATOM 0 HD13 LEU A 60 11.057 -1.362 1.512 1.00 62.43 H new ATOM 0 HD21 LEU A 60 11.787 -0.105 -1.191 1.00 11.34 H new ATOM 0 HD22 LEU A 60 10.941 -1.660 -1.014 1.00 11.34 H new ATOM 0 HD23 LEU A 60 10.223 -0.363 -1.999 1.00 11.34 H new ATOM 903 N LEU A 61 7.666 1.980 2.216 1.00 53.04 N ATOM 904 CA LEU A 61 7.457 3.403 2.216 1.00 61.20 C ATOM 905 C LEU A 61 8.807 4.067 1.985 1.00 12.14 C ATOM 906 O LEU A 61 9.733 3.895 2.785 1.00 40.13 O ATOM 907 CB LEU A 61 6.814 3.813 3.582 1.00 41.23 C ATOM 908 CG LEU A 61 6.395 5.295 3.842 1.00 13.32 C ATOM 909 CD1 LEU A 61 7.579 6.255 3.955 1.00 2.31 C ATOM 910 CD2 LEU A 61 5.423 5.766 2.783 1.00 52.31 C ATOM 0 H LEU A 61 7.952 1.603 3.120 1.00 53.04 H new ATOM 0 HA LEU A 61 6.777 3.722 1.426 1.00 61.20 H new ATOM 0 HB2 LEU A 61 5.925 3.198 3.718 1.00 41.23 H new ATOM 0 HB3 LEU A 61 7.517 3.534 4.367 1.00 41.23 H new ATOM 0 HG LEU A 61 5.904 5.307 4.815 1.00 13.32 H new ATOM 0 HD11 LEU A 61 7.212 7.265 4.135 1.00 2.31 H new ATOM 0 HD12 LEU A 61 8.219 5.948 4.783 1.00 2.31 H new ATOM 0 HD13 LEU A 61 8.152 6.237 3.028 1.00 2.31 H new ATOM 0 HD21 LEU A 61 5.143 6.801 2.981 1.00 52.31 H new ATOM 0 HD22 LEU A 61 5.893 5.699 1.802 1.00 52.31 H new ATOM 0 HD23 LEU A 61 4.532 5.139 2.802 1.00 52.31 H new ATOM 922 N ALA A 62 8.934 4.773 0.889 1.00 43.21 N ATOM 923 CA ALA A 62 10.162 5.455 0.575 1.00 12.21 C ATOM 924 C ALA A 62 9.910 6.929 0.317 1.00 61.43 C ATOM 925 O ALA A 62 9.122 7.297 -0.572 1.00 32.33 O ATOM 926 CB ALA A 62 10.844 4.808 -0.621 1.00 44.31 C ATOM 0 H ALA A 62 8.195 4.890 0.196 1.00 43.21 H new ATOM 0 HA ALA A 62 10.827 5.371 1.435 1.00 12.21 H new ATOM 0 HB1 ALA A 62 11.770 5.338 -0.842 1.00 44.31 H new ATOM 0 HB2 ALA A 62 11.068 3.766 -0.392 1.00 44.31 H new ATOM 0 HB3 ALA A 62 10.183 4.856 -1.486 1.00 44.31 H new ATOM 932 N ASP A 63 10.558 7.755 1.104 1.00 73.20 N ATOM 933 CA ASP A 63 10.483 9.211 0.970 1.00 53.22 C ATOM 934 C ASP A 63 11.438 9.659 -0.113 1.00 53.12 C ATOM 935 O ASP A 63 12.586 9.189 -0.165 1.00 1.01 O ATOM 936 CB ASP A 63 10.855 9.881 2.306 1.00 3.45 C ATOM 937 CG ASP A 63 11.106 11.383 2.192 1.00 41.41 C ATOM 938 OD1 ASP A 63 10.147 12.148 2.011 1.00 34.21 O ATOM 939 OD2 ASP A 63 12.285 11.802 2.307 1.00 12.41 O ATOM 0 H ASP A 63 11.161 7.444 1.866 1.00 73.20 H new ATOM 0 HA ASP A 63 9.467 9.500 0.703 1.00 53.22 H new ATOM 0 HB2 ASP A 63 10.053 9.709 3.024 1.00 3.45 H new ATOM 0 HB3 ASP A 63 11.749 9.402 2.706 1.00 3.45 H new ATOM 944 N LEU A 64 10.987 10.524 -0.978 1.00 31.32 N ATOM 945 CA LEU A 64 11.798 11.026 -2.053 1.00 63.24 C ATOM 946 C LEU A 64 11.753 12.566 -1.999 1.00 14.50 C ATOM 947 O LEU A 64 11.025 13.208 -2.757 1.00 23.03 O ATOM 948 CB LEU A 64 11.216 10.510 -3.402 1.00 43.11 C ATOM 949 CG LEU A 64 12.125 10.449 -4.665 1.00 1.04 C ATOM 950 CD1 LEU A 64 12.815 11.769 -4.994 1.00 34.43 C ATOM 951 CD2 LEU A 64 13.125 9.317 -4.564 1.00 23.51 C ATOM 0 H LEU A 64 10.040 10.903 -0.957 1.00 31.32 H new ATOM 0 HA LEU A 64 12.830 10.686 -1.964 1.00 63.24 H new ATOM 0 HB2 LEU A 64 10.834 9.504 -3.228 1.00 43.11 H new ATOM 0 HB3 LEU A 64 10.360 11.138 -3.648 1.00 43.11 H new ATOM 0 HG LEU A 64 11.456 10.251 -5.502 1.00 1.04 H new ATOM 0 HD11 LEU A 64 13.430 11.646 -5.886 1.00 34.43 H new ATOM 0 HD12 LEU A 64 12.063 12.537 -5.175 1.00 34.43 H new ATOM 0 HD13 LEU A 64 13.446 12.068 -4.157 1.00 34.43 H new ATOM 0 HD21 LEU A 64 13.746 9.299 -5.460 1.00 23.51 H new ATOM 0 HD22 LEU A 64 13.756 9.466 -3.688 1.00 23.51 H new ATOM 0 HD23 LEU A 64 12.594 8.370 -4.471 1.00 23.51 H new ATOM 963 N ASN A 65 12.499 13.147 -1.086 1.00 60.05 N ATOM 964 CA ASN A 65 12.564 14.594 -0.972 1.00 64.30 C ATOM 965 C ASN A 65 13.671 14.942 0.000 1.00 44.43 C ATOM 966 O ASN A 65 14.130 14.076 0.751 1.00 54.45 O ATOM 967 CB ASN A 65 11.233 15.180 -0.459 1.00 11.31 C ATOM 968 CG ASN A 65 11.109 16.656 -0.771 1.00 54.35 C ATOM 969 OD1 ASN A 65 11.559 17.510 -0.019 1.00 63.10 O ATOM 970 ND2 ASN A 65 10.491 16.963 -1.870 1.00 21.41 N ATOM 0 H ASN A 65 13.071 12.642 -0.409 1.00 60.05 H new ATOM 0 HA ASN A 65 12.758 15.018 -1.957 1.00 64.30 H new ATOM 0 HB2 ASN A 65 10.401 14.642 -0.912 1.00 11.31 H new ATOM 0 HB3 ASN A 65 11.161 15.029 0.618 1.00 11.31 H new ATOM 0 HD21 ASN A 65 10.368 17.942 -2.130 1.00 21.41 H new ATOM 0 HD22 ASN A 65 10.128 16.226 -2.474 1.00 21.41 H new ATOM 977 N SER A 66 14.122 16.166 -0.016 1.00 3.10 N ATOM 978 CA SER A 66 15.157 16.565 0.874 1.00 5.51 C ATOM 979 C SER A 66 14.639 17.504 1.983 1.00 61.11 C ATOM 980 O SER A 66 14.802 17.208 3.168 1.00 25.02 O ATOM 981 CB SER A 66 16.304 17.186 0.085 1.00 14.24 C ATOM 982 OG SER A 66 16.741 16.281 -0.928 1.00 75.03 O ATOM 0 H SER A 66 13.784 16.899 -0.639 1.00 3.10 H new ATOM 0 HA SER A 66 15.532 15.679 1.386 1.00 5.51 H new ATOM 0 HB2 SER A 66 15.980 18.123 -0.367 1.00 14.24 H new ATOM 0 HB3 SER A 66 17.131 17.424 0.754 1.00 14.24 H new ATOM 0 HG SER A 66 17.477 16.686 -1.433 1.00 75.03 H new ATOM 988 N THR A 67 13.966 18.586 1.610 1.00 35.44 N ATOM 989 CA THR A 67 13.541 19.585 2.595 1.00 11.10 C ATOM 990 C THR A 67 12.154 19.251 3.194 1.00 54.14 C ATOM 991 O THR A 67 11.850 19.595 4.332 1.00 74.32 O ATOM 992 CB THR A 67 13.574 21.033 1.993 1.00 33.23 C ATOM 993 OG1 THR A 67 13.346 22.025 3.015 1.00 71.22 O ATOM 994 CG2 THR A 67 12.537 21.209 0.883 1.00 22.20 C ATOM 0 H THR A 67 13.703 18.797 0.647 1.00 35.44 H new ATOM 0 HA THR A 67 14.259 19.553 3.415 1.00 11.10 H new ATOM 0 HB THR A 67 14.568 21.173 1.568 1.00 33.23 H new ATOM 0 HG1 THR A 67 13.373 22.919 2.615 1.00 71.22 H new ATOM 0 HG21 THR A 67 12.592 22.225 0.492 1.00 22.20 H new ATOM 0 HG22 THR A 67 12.739 20.500 0.080 1.00 22.20 H new ATOM 0 HG23 THR A 67 11.540 21.028 1.284 1.00 22.20 H new ATOM 1002 N ASN A 68 11.352 18.543 2.439 1.00 43.32 N ATOM 1003 CA ASN A 68 10.016 18.147 2.859 1.00 13.40 C ATOM 1004 C ASN A 68 10.000 16.698 3.226 1.00 21.33 C ATOM 1005 O ASN A 68 8.955 16.043 3.118 1.00 35.44 O ATOM 1006 CB ASN A 68 8.967 18.432 1.778 1.00 41.25 C ATOM 1007 CG ASN A 68 8.627 19.890 1.660 1.00 45.23 C ATOM 1008 OD1 ASN A 68 8.676 20.631 2.640 1.00 5.12 O ATOM 1009 ND2 ASN A 68 8.264 20.317 0.490 1.00 21.32 N ATOM 0 H ASN A 68 11.603 18.218 1.505 1.00 43.32 H new ATOM 0 HA ASN A 68 9.756 18.744 3.733 1.00 13.40 H new ATOM 0 HB2 ASN A 68 9.336 18.072 0.818 1.00 41.25 H new ATOM 0 HB3 ASN A 68 8.060 17.870 2.002 1.00 41.25 H new ATOM 0 HD21 ASN A 68 8.008 21.296 0.361 1.00 21.32 H new ATOM 0 HD22 ASN A 68 8.235 19.674 -0.301 1.00 21.32 H new ATOM 1016 N GLY A 69 11.168 16.215 3.676 1.00 45.12 N ATOM 1017 CA GLY A 69 11.360 14.829 4.070 1.00 35.34 C ATOM 1018 C GLY A 69 10.233 14.315 4.921 1.00 71.42 C ATOM 1019 O GLY A 69 9.978 14.831 6.026 1.00 70.24 O ATOM 0 H GLY A 69 12.007 16.787 3.774 1.00 45.12 H new ATOM 0 HA2 GLY A 69 11.450 14.209 3.178 1.00 35.34 H new ATOM 0 HA3 GLY A 69 12.297 14.736 4.618 1.00 35.34 H new ATOM 1023 N THR A 70 9.549 13.356 4.385 1.00 5.11 N ATOM 1024 CA THR A 70 8.377 12.787 4.960 1.00 23.30 C ATOM 1025 C THR A 70 8.632 12.185 6.355 1.00 61.13 C ATOM 1026 O THR A 70 9.625 11.480 6.596 1.00 34.02 O ATOM 1027 CB THR A 70 7.807 11.742 3.994 1.00 14.41 C ATOM 1028 OG1 THR A 70 7.635 12.361 2.696 1.00 54.15 O ATOM 1029 CG2 THR A 70 6.480 11.214 4.482 1.00 61.12 C ATOM 0 H THR A 70 9.805 12.930 3.494 1.00 5.11 H new ATOM 0 HA THR A 70 7.648 13.583 5.112 1.00 23.30 H new ATOM 0 HB THR A 70 8.499 10.903 3.931 1.00 14.41 H new ATOM 0 HG1 THR A 70 8.393 12.129 2.120 1.00 54.15 H new ATOM 0 HG21 THR A 70 6.101 10.475 3.776 1.00 61.12 H new ATOM 0 HG22 THR A 70 6.611 10.749 5.459 1.00 61.12 H new ATOM 0 HG23 THR A 70 5.769 12.036 4.563 1.00 61.12 H new ATOM 1037 N THR A 71 7.748 12.492 7.257 1.00 31.30 N ATOM 1038 CA THR A 71 7.829 12.040 8.597 1.00 13.40 C ATOM 1039 C THR A 71 6.827 10.883 8.775 1.00 10.25 C ATOM 1040 O THR A 71 5.720 10.947 8.261 1.00 23.34 O ATOM 1041 CB THR A 71 7.429 13.218 9.511 1.00 12.22 C ATOM 1042 OG1 THR A 71 7.320 14.419 8.709 1.00 33.00 O ATOM 1043 CG2 THR A 71 8.476 13.458 10.567 1.00 44.15 C ATOM 0 H THR A 71 6.935 13.078 7.068 1.00 31.30 H new ATOM 0 HA THR A 71 8.833 11.696 8.845 1.00 13.40 H new ATOM 0 HB THR A 71 6.481 12.975 9.991 1.00 12.22 H new ATOM 0 HG1 THR A 71 8.212 14.699 8.416 1.00 33.00 H new ATOM 0 HG21 THR A 71 8.171 14.293 11.198 1.00 44.15 H new ATOM 0 HG22 THR A 71 8.588 12.563 11.178 1.00 44.15 H new ATOM 0 HG23 THR A 71 9.427 13.693 10.089 1.00 44.15 H new ATOM 1051 N VAL A 72 7.205 9.860 9.492 1.00 11.43 N ATOM 1052 CA VAL A 72 6.337 8.719 9.730 1.00 41.43 C ATOM 1053 C VAL A 72 6.150 8.560 11.228 1.00 51.30 C ATOM 1054 O VAL A 72 7.126 8.480 11.976 1.00 1.24 O ATOM 1055 CB VAL A 72 6.893 7.403 9.092 1.00 23.25 C ATOM 1056 CG1 VAL A 72 6.958 7.522 7.575 1.00 65.40 C ATOM 1057 CG2 VAL A 72 8.271 7.076 9.632 1.00 40.32 C ATOM 0 H VAL A 72 8.122 9.786 9.932 1.00 11.43 H new ATOM 0 HA VAL A 72 5.377 8.905 9.249 1.00 41.43 H new ATOM 0 HB VAL A 72 6.209 6.597 9.358 1.00 23.25 H new ATOM 0 HG11 VAL A 72 7.348 6.595 7.154 1.00 65.40 H new ATOM 0 HG12 VAL A 72 5.959 7.708 7.181 1.00 65.40 H new ATOM 0 HG13 VAL A 72 7.614 8.348 7.303 1.00 65.40 H new ATOM 0 HG21 VAL A 72 8.633 6.157 9.172 1.00 40.32 H new ATOM 0 HG22 VAL A 72 8.956 7.892 9.401 1.00 40.32 H new ATOM 0 HG23 VAL A 72 8.216 6.944 10.713 1.00 40.32 H new ATOM 1067 N ASN A 73 4.901 8.633 11.678 1.00 24.42 N ATOM 1068 CA ASN A 73 4.554 8.597 13.108 1.00 24.13 C ATOM 1069 C ASN A 73 5.241 9.756 13.816 1.00 14.12 C ATOM 1070 O ASN A 73 5.535 9.722 15.006 1.00 4.35 O ATOM 1071 CB ASN A 73 4.876 7.220 13.726 1.00 52.52 C ATOM 1072 CG ASN A 73 3.908 6.151 13.230 1.00 52.50 C ATOM 1073 OD1 ASN A 73 2.720 6.422 13.012 1.00 30.24 O ATOM 1074 ND2 ASN A 73 4.393 4.964 12.999 1.00 23.12 N ATOM 0 H ASN A 73 4.092 8.719 11.063 1.00 24.42 H new ATOM 0 HA ASN A 73 3.479 8.725 13.235 1.00 24.13 H new ATOM 0 HB2 ASN A 73 5.897 6.935 13.473 1.00 52.52 H new ATOM 0 HB3 ASN A 73 4.824 7.285 14.813 1.00 52.52 H new ATOM 0 HD21 ASN A 73 3.790 4.230 12.629 1.00 23.12 H new ATOM 0 HD22 ASN A 73 5.376 4.769 13.188 1.00 23.12 H new ATOM 1081 N ASN A 74 5.435 10.812 13.015 1.00 61.33 N ATOM 1082 CA ASN A 74 6.101 12.055 13.378 1.00 52.12 C ATOM 1083 C ASN A 74 7.594 11.899 13.656 1.00 14.34 C ATOM 1084 O ASN A 74 8.212 12.721 14.338 1.00 71.02 O ATOM 1085 CB ASN A 74 5.344 12.876 14.444 1.00 31.33 C ATOM 1086 CG ASN A 74 4.082 13.503 13.850 1.00 23.31 C ATOM 1087 OD1 ASN A 74 4.018 13.763 12.644 1.00 21.41 O ATOM 1088 ND2 ASN A 74 3.093 13.767 14.663 1.00 24.14 N ATOM 0 H ASN A 74 5.112 10.815 12.047 1.00 61.33 H new ATOM 0 HA ASN A 74 6.057 12.668 12.477 1.00 52.12 H new ATOM 0 HB2 ASN A 74 5.076 12.233 15.282 1.00 31.33 H new ATOM 0 HB3 ASN A 74 5.994 13.658 14.837 1.00 31.33 H new ATOM 0 HD21 ASN A 74 2.241 14.199 14.306 1.00 24.14 H new ATOM 0 HD22 ASN A 74 3.174 13.541 15.654 1.00 24.14 H new ATOM 1095 N ALA A 75 8.182 10.875 13.063 1.00 22.53 N ATOM 1096 CA ALA A 75 9.618 10.655 13.100 1.00 64.22 C ATOM 1097 C ALA A 75 10.157 10.687 11.660 1.00 42.22 C ATOM 1098 O ALA A 75 9.626 9.998 10.793 1.00 5.30 O ATOM 1099 CB ALA A 75 9.919 9.317 13.746 1.00 14.43 C ATOM 0 H ALA A 75 7.672 10.166 12.537 1.00 22.53 H new ATOM 0 HA ALA A 75 10.100 11.435 13.688 1.00 64.22 H new ATOM 0 HB1 ALA A 75 10.997 9.159 13.770 1.00 14.43 H new ATOM 0 HB2 ALA A 75 9.528 9.308 14.763 1.00 14.43 H new ATOM 0 HB3 ALA A 75 9.448 8.521 13.169 1.00 14.43 H new ATOM 1105 N PRO A 76 11.154 11.530 11.362 1.00 60.41 N ATOM 1106 CA PRO A 76 11.703 11.650 10.003 1.00 55.21 C ATOM 1107 C PRO A 76 12.573 10.455 9.611 1.00 60.44 C ATOM 1108 O PRO A 76 13.455 10.037 10.371 1.00 63.15 O ATOM 1109 CB PRO A 76 12.529 12.932 10.068 1.00 70.11 C ATOM 1110 CG PRO A 76 12.938 13.054 11.498 1.00 14.53 C ATOM 1111 CD PRO A 76 11.830 12.436 12.313 1.00 51.04 C ATOM 0 HA PRO A 76 10.919 11.675 9.247 1.00 55.21 H new ATOM 0 HB2 PRO A 76 13.398 12.876 9.412 1.00 70.11 H new ATOM 0 HB3 PRO A 76 11.944 13.795 9.749 1.00 70.11 H new ATOM 0 HG2 PRO A 76 13.883 12.542 11.676 1.00 14.53 H new ATOM 0 HG3 PRO A 76 13.085 14.099 11.772 1.00 14.53 H new ATOM 0 HD2 PRO A 76 12.222 11.893 13.173 1.00 51.04 H new ATOM 0 HD3 PRO A 76 11.147 13.193 12.698 1.00 51.04 H new ATOM 1119 N VAL A 77 12.310 9.901 8.439 1.00 43.04 N ATOM 1120 CA VAL A 77 13.034 8.727 7.946 1.00 14.35 C ATOM 1121 C VAL A 77 13.272 8.852 6.445 1.00 74.42 C ATOM 1122 O VAL A 77 12.831 9.822 5.818 1.00 32.11 O ATOM 1123 CB VAL A 77 12.231 7.404 8.182 1.00 61.35 C ATOM 1124 CG1 VAL A 77 11.978 7.140 9.659 1.00 22.12 C ATOM 1125 CG2 VAL A 77 10.920 7.422 7.402 1.00 42.42 C ATOM 0 H VAL A 77 11.593 10.246 7.800 1.00 43.04 H new ATOM 0 HA VAL A 77 13.975 8.685 8.495 1.00 14.35 H new ATOM 0 HB VAL A 77 12.846 6.584 7.812 1.00 61.35 H new ATOM 0 HG11 VAL A 77 11.418 6.212 9.772 1.00 22.12 H new ATOM 0 HG12 VAL A 77 12.931 7.055 10.182 1.00 22.12 H new ATOM 0 HG13 VAL A 77 11.404 7.964 10.083 1.00 22.12 H new ATOM 0 HG21 VAL A 77 10.378 6.493 7.580 1.00 42.42 H new ATOM 0 HG22 VAL A 77 10.313 8.266 7.730 1.00 42.42 H new ATOM 0 HG23 VAL A 77 11.131 7.520 6.337 1.00 42.42 H new ATOM 1135 N GLN A 78 13.971 7.888 5.888 1.00 54.12 N ATOM 1136 CA GLN A 78 14.159 7.794 4.452 1.00 64.34 C ATOM 1137 C GLN A 78 13.307 6.658 3.919 1.00 51.13 C ATOM 1138 O GLN A 78 12.720 6.742 2.825 1.00 22.11 O ATOM 1139 CB GLN A 78 15.613 7.531 4.109 1.00 22.32 C ATOM 1140 CG GLN A 78 16.553 8.623 4.533 1.00 75.31 C ATOM 1141 CD GLN A 78 17.970 8.317 4.140 1.00 62.03 C ATOM 1142 OE1 GLN A 78 18.721 7.712 4.900 1.00 35.42 O ATOM 1143 NE2 GLN A 78 18.343 8.698 2.956 1.00 22.44 N ATOM 0 H GLN A 78 14.427 7.144 6.417 1.00 54.12 H new ATOM 0 HA GLN A 78 13.864 8.740 3.998 1.00 64.34 H new ATOM 0 HB2 GLN A 78 15.922 6.598 4.579 1.00 22.32 H new ATOM 0 HB3 GLN A 78 15.701 7.389 3.032 1.00 22.32 H new ATOM 0 HG2 GLN A 78 16.245 9.565 4.080 1.00 75.31 H new ATOM 0 HG3 GLN A 78 16.495 8.755 5.613 1.00 75.31 H new ATOM 0 HE21 GLN A 78 17.691 9.199 2.352 1.00 22.44 H new ATOM 0 HE22 GLN A 78 19.288 8.496 2.630 1.00 22.44 H new ATOM 1152 N GLU A 79 13.246 5.600 4.697 1.00 63.20 N ATOM 1153 CA GLU A 79 12.470 4.439 4.379 1.00 54.11 C ATOM 1154 C GLU A 79 11.787 3.896 5.622 1.00 15.21 C ATOM 1155 O GLU A 79 12.291 4.053 6.743 1.00 53.04 O ATOM 1156 CB GLU A 79 13.300 3.372 3.615 1.00 51.44 C ATOM 1157 CG GLU A 79 14.717 3.096 4.147 1.00 11.42 C ATOM 1158 CD GLU A 79 14.774 2.524 5.536 1.00 30.05 C ATOM 1159 OE1 GLU A 79 14.427 1.348 5.720 1.00 54.33 O ATOM 1160 OE2 GLU A 79 15.218 3.231 6.467 1.00 14.40 O ATOM 0 H GLU A 79 13.746 5.529 5.583 1.00 63.20 H new ATOM 0 HA GLU A 79 11.680 4.734 3.688 1.00 54.11 H new ATOM 0 HB2 GLU A 79 12.743 2.435 3.625 1.00 51.44 H new ATOM 0 HB3 GLU A 79 13.381 3.684 2.574 1.00 51.44 H new ATOM 0 HG2 GLU A 79 15.217 2.407 3.466 1.00 11.42 H new ATOM 0 HG3 GLU A 79 15.283 4.027 4.130 1.00 11.42 H new ATOM 1167 N TRP A 80 10.644 3.316 5.431 1.00 5.42 N ATOM 1168 CA TRP A 80 9.842 2.812 6.511 1.00 55.03 C ATOM 1169 C TRP A 80 8.989 1.679 5.992 1.00 43.44 C ATOM 1170 O TRP A 80 8.713 1.600 4.797 1.00 54.32 O ATOM 1171 CB TRP A 80 8.972 3.979 7.061 1.00 12.02 C ATOM 1172 CG TRP A 80 7.985 3.668 8.154 1.00 43.12 C ATOM 1173 CD1 TRP A 80 6.645 3.442 8.008 1.00 34.22 C ATOM 1174 CD2 TRP A 80 8.244 3.615 9.559 1.00 41.43 C ATOM 1175 NE1 TRP A 80 6.067 3.235 9.230 1.00 34.20 N ATOM 1176 CE2 TRP A 80 7.023 3.339 10.199 1.00 54.33 C ATOM 1177 CE3 TRP A 80 9.390 3.770 10.337 1.00 23.31 C ATOM 1178 CZ2 TRP A 80 6.917 3.221 11.577 1.00 34.43 C ATOM 1179 CZ3 TRP A 80 9.279 3.652 11.708 1.00 73.22 C ATOM 1180 CH2 TRP A 80 8.050 3.380 12.313 1.00 72.53 C ATOM 0 H TRP A 80 10.232 3.175 4.509 1.00 5.42 H new ATOM 0 HA TRP A 80 10.461 2.429 7.322 1.00 55.03 H new ATOM 0 HB2 TRP A 80 9.645 4.753 7.429 1.00 12.02 H new ATOM 0 HB3 TRP A 80 8.420 4.408 6.224 1.00 12.02 H new ATOM 0 HD1 TRP A 80 6.119 3.429 7.065 1.00 34.22 H new ATOM 0 HE1 TRP A 80 5.080 3.035 9.392 1.00 34.20 H new ATOM 0 HE3 TRP A 80 10.345 3.978 9.877 1.00 23.31 H new ATOM 0 HZ2 TRP A 80 5.969 3.010 12.049 1.00 34.43 H new ATOM 0 HZ3 TRP A 80 10.158 3.772 12.324 1.00 73.22 H new ATOM 0 HH2 TRP A 80 7.998 3.294 13.388 1.00 72.53 H new ATOM 1191 N GLN A 81 8.646 0.770 6.845 1.00 53.01 N ATOM 1192 CA GLN A 81 7.730 -0.273 6.479 1.00 44.41 C ATOM 1193 C GLN A 81 6.381 0.079 7.062 1.00 60.32 C ATOM 1194 O GLN A 81 6.248 0.228 8.287 1.00 44.20 O ATOM 1195 CB GLN A 81 8.202 -1.696 6.905 1.00 31.01 C ATOM 1196 CG GLN A 81 8.290 -1.980 8.405 1.00 24.32 C ATOM 1197 CD GLN A 81 9.299 -1.133 9.152 1.00 74.52 C ATOM 1198 OE1 GLN A 81 8.854 -0.020 9.687 1.00 10.43 O flip ATOM 1199 NE2 GLN A 81 10.469 -1.496 9.267 1.00 32.02 N flip ATOM 0 H GLN A 81 8.985 0.724 7.806 1.00 53.01 H new ATOM 0 HA GLN A 81 7.673 -0.328 5.392 1.00 44.41 H new ATOM 0 HB2 GLN A 81 7.523 -2.425 6.462 1.00 31.01 H new ATOM 0 HB3 GLN A 81 9.186 -1.871 6.469 1.00 31.01 H new ATOM 0 HG2 GLN A 81 7.307 -1.825 8.849 1.00 24.32 H new ATOM 0 HG3 GLN A 81 8.542 -3.031 8.548 1.00 24.32 H new ATOM 0 HE21 GLN A 81 10.777 -2.368 8.837 1.00 32.02 H new ATOM 0 HE22 GLN A 81 11.131 -0.925 9.793 1.00 32.02 H new ATOM 1208 N LEU A 82 5.422 0.300 6.192 1.00 3.13 N ATOM 1209 CA LEU A 82 4.078 0.706 6.592 1.00 34.42 C ATOM 1210 C LEU A 82 3.444 -0.282 7.548 1.00 74.32 C ATOM 1211 O LEU A 82 3.579 -1.507 7.390 1.00 74.33 O ATOM 1212 CB LEU A 82 3.159 0.839 5.375 1.00 71.20 C ATOM 1213 CG LEU A 82 3.515 1.914 4.364 1.00 14.23 C ATOM 1214 CD1 LEU A 82 2.487 1.956 3.249 1.00 61.04 C ATOM 1215 CD2 LEU A 82 3.596 3.249 5.045 1.00 70.15 C ATOM 0 H LEU A 82 5.544 0.205 5.184 1.00 3.13 H new ATOM 0 HA LEU A 82 4.190 1.668 7.091 1.00 34.42 H new ATOM 0 HB2 LEU A 82 3.139 -0.120 4.858 1.00 71.20 H new ATOM 0 HB3 LEU A 82 2.147 1.030 5.732 1.00 71.20 H new ATOM 0 HG LEU A 82 4.486 1.677 3.929 1.00 14.23 H new ATOM 0 HD11 LEU A 82 2.758 2.732 2.533 1.00 61.04 H new ATOM 0 HD12 LEU A 82 2.459 0.991 2.744 1.00 61.04 H new ATOM 0 HD13 LEU A 82 1.505 2.175 3.668 1.00 61.04 H new ATOM 0 HD21 LEU A 82 3.852 4.016 4.314 1.00 70.15 H new ATOM 0 HD22 LEU A 82 2.633 3.486 5.497 1.00 70.15 H new ATOM 0 HD23 LEU A 82 4.362 3.216 5.820 1.00 70.15 H new ATOM 1227 N ALA A 83 2.798 0.248 8.533 1.00 25.25 N ATOM 1228 CA ALA A 83 2.019 -0.517 9.445 1.00 21.32 C ATOM 1229 C ALA A 83 0.655 0.107 9.515 1.00 74.30 C ATOM 1230 O ALA A 83 0.444 1.217 9.003 1.00 5.03 O ATOM 1231 CB ALA A 83 2.656 -0.547 10.818 1.00 72.13 C ATOM 0 H ALA A 83 2.798 1.249 8.729 1.00 25.25 H new ATOM 0 HA ALA A 83 1.953 -1.549 9.100 1.00 21.32 H new ATOM 0 HB1 ALA A 83 2.038 -1.139 11.493 1.00 72.13 H new ATOM 0 HB2 ALA A 83 3.648 -0.993 10.749 1.00 72.13 H new ATOM 0 HB3 ALA A 83 2.741 0.470 11.202 1.00 72.13 H new ATOM 1237 N ASP A 84 -0.256 -0.571 10.122 1.00 13.41 N ATOM 1238 CA ASP A 84 -1.595 -0.078 10.240 1.00 3.53 C ATOM 1239 C ASP A 84 -1.692 0.940 11.353 1.00 73.44 C ATOM 1240 O ASP A 84 -1.282 0.678 12.482 1.00 64.23 O ATOM 1241 CB ASP A 84 -2.566 -1.217 10.468 1.00 2.31 C ATOM 1242 CG ASP A 84 -3.953 -0.724 10.722 1.00 65.52 C ATOM 1243 OD1 ASP A 84 -4.532 -0.081 9.841 1.00 52.23 O ATOM 1244 OD2 ASP A 84 -4.497 -0.988 11.808 1.00 61.21 O ATOM 0 H ASP A 84 -0.100 -1.483 10.552 1.00 13.41 H new ATOM 0 HA ASP A 84 -1.862 0.414 9.305 1.00 3.53 H new ATOM 0 HB2 ASP A 84 -2.568 -1.873 9.597 1.00 2.31 H new ATOM 0 HB3 ASP A 84 -2.232 -1.815 11.316 1.00 2.31 H new ATOM 1249 N GLY A 85 -2.178 2.106 11.022 1.00 2.04 N ATOM 1250 CA GLY A 85 -2.342 3.149 11.995 1.00 30.00 C ATOM 1251 C GLY A 85 -1.211 4.152 11.957 1.00 11.32 C ATOM 1252 O GLY A 85 -1.139 5.042 12.813 1.00 70.25 O ATOM 0 H GLY A 85 -2.469 2.357 10.077 1.00 2.04 H new ATOM 0 HA2 GLY A 85 -3.287 3.663 11.818 1.00 30.00 H new ATOM 0 HA3 GLY A 85 -2.401 2.708 12.990 1.00 30.00 H new ATOM 1256 N ASP A 86 -0.320 4.012 10.983 1.00 71.52 N ATOM 1257 CA ASP A 86 0.817 4.928 10.859 1.00 50.31 C ATOM 1258 C ASP A 86 0.375 6.294 10.392 1.00 12.04 C ATOM 1259 O ASP A 86 -0.446 6.419 9.467 1.00 40.24 O ATOM 1260 CB ASP A 86 1.936 4.395 9.937 1.00 53.44 C ATOM 1261 CG ASP A 86 2.775 3.283 10.543 1.00 33.25 C ATOM 1262 OD1 ASP A 86 2.752 3.094 11.794 1.00 25.04 O ATOM 1263 OD2 ASP A 86 3.493 2.593 9.791 1.00 3.33 O ATOM 0 H ASP A 86 -0.358 3.282 10.272 1.00 71.52 H new ATOM 0 HA ASP A 86 1.237 5.008 11.862 1.00 50.31 H new ATOM 0 HB2 ASP A 86 1.486 4.031 9.013 1.00 53.44 H new ATOM 0 HB3 ASP A 86 2.592 5.222 9.667 1.00 53.44 H new ATOM 1268 N VAL A 87 0.895 7.313 11.041 1.00 70.44 N ATOM 1269 CA VAL A 87 0.581 8.685 10.685 1.00 25.45 C ATOM 1270 C VAL A 87 1.723 9.220 9.866 1.00 75.33 C ATOM 1271 O VAL A 87 2.810 9.385 10.366 1.00 30.15 O ATOM 1272 CB VAL A 87 0.402 9.583 11.944 1.00 30.24 C ATOM 1273 CG1 VAL A 87 -0.054 10.987 11.554 1.00 5.22 C ATOM 1274 CG2 VAL A 87 -0.570 8.953 12.928 1.00 14.01 C ATOM 0 H VAL A 87 1.542 7.219 11.824 1.00 70.44 H new ATOM 0 HA VAL A 87 -0.357 8.699 10.130 1.00 25.45 H new ATOM 0 HB VAL A 87 1.372 9.668 12.435 1.00 30.24 H new ATOM 0 HG11 VAL A 87 -0.171 11.594 12.452 1.00 5.22 H new ATOM 0 HG12 VAL A 87 0.691 11.444 10.902 1.00 5.22 H new ATOM 0 HG13 VAL A 87 -1.007 10.927 11.029 1.00 5.22 H new ATOM 0 HG21 VAL A 87 -0.677 9.600 13.798 1.00 14.01 H new ATOM 0 HG22 VAL A 87 -1.541 8.825 12.449 1.00 14.01 H new ATOM 0 HG23 VAL A 87 -0.190 7.981 13.243 1.00 14.01 H new ATOM 1284 N ILE A 88 1.496 9.491 8.636 1.00 73.33 N ATOM 1285 CA ILE A 88 2.572 9.907 7.787 1.00 33.23 C ATOM 1286 C ILE A 88 2.386 11.345 7.326 1.00 22.14 C ATOM 1287 O ILE A 88 1.377 11.697 6.750 1.00 34.45 O ATOM 1288 CB ILE A 88 2.760 8.914 6.606 1.00 64.10 C ATOM 1289 CG1 ILE A 88 3.127 7.520 7.170 1.00 53.03 C ATOM 1290 CG2 ILE A 88 3.811 9.406 5.623 1.00 53.20 C ATOM 1291 CD1 ILE A 88 3.393 6.462 6.130 1.00 31.33 C ATOM 0 H ILE A 88 0.582 9.436 8.186 1.00 73.33 H new ATOM 0 HA ILE A 88 3.496 9.888 8.364 1.00 33.23 H new ATOM 0 HB ILE A 88 1.824 8.842 6.052 1.00 64.10 H new ATOM 0 HG12 ILE A 88 4.012 7.621 7.799 1.00 53.03 H new ATOM 0 HG13 ILE A 88 2.316 7.180 7.813 1.00 53.03 H new ATOM 0 HG21 ILE A 88 3.915 8.686 4.811 1.00 53.20 H new ATOM 0 HG22 ILE A 88 3.506 10.370 5.216 1.00 53.20 H new ATOM 0 HG23 ILE A 88 4.766 9.515 6.136 1.00 53.20 H new ATOM 0 HD11 ILE A 88 3.641 5.522 6.623 1.00 31.33 H new ATOM 0 HD12 ILE A 88 2.504 6.325 5.514 1.00 31.33 H new ATOM 0 HD13 ILE A 88 4.226 6.773 5.500 1.00 31.33 H new ATOM 1303 N ARG A 89 3.356 12.162 7.622 1.00 4.43 N ATOM 1304 CA ARG A 89 3.321 13.562 7.290 1.00 14.41 C ATOM 1305 C ARG A 89 4.257 13.820 6.127 1.00 11.23 C ATOM 1306 O ARG A 89 5.477 13.731 6.269 1.00 33.31 O ATOM 1307 CB ARG A 89 3.746 14.405 8.495 1.00 32.40 C ATOM 1308 CG ARG A 89 3.652 15.908 8.267 1.00 13.54 C ATOM 1309 CD ARG A 89 4.190 16.689 9.455 1.00 5.31 C ATOM 1310 NE ARG A 89 5.639 16.477 9.650 1.00 1.50 N ATOM 1311 CZ ARG A 89 6.418 17.131 10.532 1.00 63.55 C ATOM 1312 NH1 ARG A 89 5.897 18.011 11.379 1.00 34.20 N ATOM 1313 NH2 ARG A 89 7.719 16.889 10.559 1.00 42.23 N ATOM 0 H ARG A 89 4.206 11.873 8.107 1.00 4.43 H new ATOM 0 HA ARG A 89 2.304 13.840 7.013 1.00 14.41 H new ATOM 0 HB2 ARG A 89 3.123 14.138 9.349 1.00 32.40 H new ATOM 0 HB3 ARG A 89 4.773 14.152 8.758 1.00 32.40 H new ATOM 0 HG2 ARG A 89 4.212 16.176 7.371 1.00 13.54 H new ATOM 0 HG3 ARG A 89 2.613 16.185 8.089 1.00 13.54 H new ATOM 0 HD2 ARG A 89 3.996 17.751 9.307 1.00 5.31 H new ATOM 0 HD3 ARG A 89 3.656 16.390 10.357 1.00 5.31 H new ATOM 0 HE ARG A 89 6.089 15.773 9.065 1.00 1.50 H new ATOM 0 HH11 ARG A 89 4.895 18.199 11.367 1.00 34.20 H new ATOM 0 HH12 ARG A 89 6.499 18.499 12.042 1.00 34.20 H new ATOM 0 HH21 ARG A 89 8.125 16.211 9.914 1.00 42.23 H new ATOM 0 HH22 ARG A 89 8.315 17.381 11.224 1.00 42.23 H new ATOM 1327 N LEU A 90 3.693 14.115 5.004 1.00 50.11 N ATOM 1328 CA LEU A 90 4.438 14.385 3.802 1.00 61.13 C ATOM 1329 C LEU A 90 4.300 15.849 3.467 1.00 50.12 C ATOM 1330 O LEU A 90 3.476 16.532 4.071 1.00 55.11 O ATOM 1331 CB LEU A 90 4.040 13.488 2.595 1.00 31.44 C ATOM 1332 CG LEU A 90 2.601 13.573 2.050 1.00 41.54 C ATOM 1333 CD1 LEU A 90 2.560 12.979 0.655 1.00 42.13 C ATOM 1334 CD2 LEU A 90 1.626 12.804 2.939 1.00 40.44 C ATOM 0 H LEU A 90 2.682 14.179 4.885 1.00 50.11 H new ATOM 0 HA LEU A 90 5.481 14.136 3.999 1.00 61.13 H new ATOM 0 HB2 LEU A 90 4.718 13.720 1.774 1.00 31.44 H new ATOM 0 HB3 LEU A 90 4.225 12.452 2.879 1.00 31.44 H new ATOM 0 HG LEU A 90 2.305 14.622 2.032 1.00 41.54 H new ATOM 0 HD11 LEU A 90 1.544 13.037 0.265 1.00 42.13 H new ATOM 0 HD12 LEU A 90 3.232 13.537 0.002 1.00 42.13 H new ATOM 0 HD13 LEU A 90 2.875 11.936 0.694 1.00 42.13 H new ATOM 0 HD21 LEU A 90 0.619 12.883 2.528 1.00 40.44 H new ATOM 0 HD22 LEU A 90 1.920 11.755 2.980 1.00 40.44 H new ATOM 0 HD23 LEU A 90 1.641 13.224 3.945 1.00 40.44 H new ATOM 1346 N GLY A 91 5.153 16.339 2.587 1.00 53.23 N ATOM 1347 CA GLY A 91 5.130 17.738 2.189 1.00 55.00 C ATOM 1348 C GLY A 91 3.734 18.249 1.848 1.00 3.35 C ATOM 1349 O GLY A 91 3.165 17.884 0.820 1.00 61.21 O ATOM 0 H GLY A 91 5.877 15.785 2.130 1.00 53.23 H new ATOM 0 HA2 GLY A 91 5.544 18.344 2.995 1.00 55.00 H new ATOM 0 HA3 GLY A 91 5.779 17.872 1.324 1.00 55.00 H new ATOM 1353 N HIS A 92 3.194 19.058 2.766 1.00 10.32 N ATOM 1354 CA HIS A 92 1.886 19.719 2.663 1.00 4.21 C ATOM 1355 C HIS A 92 0.683 18.803 2.905 1.00 14.01 C ATOM 1356 O HIS A 92 -0.460 19.215 2.678 1.00 34.30 O ATOM 1357 CB HIS A 92 1.727 20.527 1.357 1.00 14.14 C ATOM 1358 CG HIS A 92 2.656 21.697 1.260 1.00 12.12 C ATOM 1359 ND1 HIS A 92 2.310 22.980 1.611 1.00 50.21 N ATOM 1360 CD2 HIS A 92 3.945 21.759 0.852 1.00 12.12 C ATOM 1361 CE1 HIS A 92 3.364 23.764 1.417 1.00 23.52 C ATOM 1362 NE2 HIS A 92 4.391 23.074 0.955 1.00 33.12 N ATOM 0 H HIS A 92 3.675 19.280 3.637 1.00 10.32 H new ATOM 0 HA HIS A 92 1.884 20.425 3.494 1.00 4.21 H new ATOM 0 HB2 HIS A 92 1.898 19.866 0.507 1.00 14.14 H new ATOM 0 HB3 HIS A 92 0.699 20.882 1.282 1.00 14.14 H new ATOM 0 HD2 HIS A 92 4.533 20.923 0.503 1.00 12.12 H new ATOM 0 HE1 HIS A 92 3.379 24.826 1.611 1.00 23.52 H new ATOM 0 HE2 HIS A 92 5.318 23.430 0.722 1.00 33.12 H new ATOM 1370 N SER A 93 0.897 17.608 3.422 1.00 74.44 N ATOM 1371 CA SER A 93 -0.224 16.720 3.660 1.00 24.02 C ATOM 1372 C SER A 93 0.086 15.705 4.776 1.00 34.33 C ATOM 1373 O SER A 93 1.228 15.340 5.001 1.00 32.51 O ATOM 1374 CB SER A 93 -0.590 15.995 2.345 1.00 54.43 C ATOM 1375 OG SER A 93 -1.811 15.282 2.453 1.00 3.42 O ATOM 0 H SER A 93 1.812 17.237 3.679 1.00 74.44 H new ATOM 0 HA SER A 93 -1.074 17.314 3.995 1.00 24.02 H new ATOM 0 HB2 SER A 93 -0.666 16.724 1.538 1.00 54.43 H new ATOM 0 HB3 SER A 93 0.210 15.305 2.077 1.00 54.43 H new ATOM 0 HG SER A 93 -2.008 14.839 1.601 1.00 3.42 H new ATOM 1381 N GLU A 94 -0.928 15.282 5.482 1.00 32.43 N ATOM 1382 CA GLU A 94 -0.785 14.257 6.477 1.00 32.33 C ATOM 1383 C GLU A 94 -1.777 13.130 6.205 1.00 75.23 C ATOM 1384 O GLU A 94 -2.957 13.365 5.967 1.00 63.44 O ATOM 1385 CB GLU A 94 -0.789 14.826 7.925 1.00 65.43 C ATOM 1386 CG GLU A 94 -1.872 15.859 8.276 1.00 50.23 C ATOM 1387 CD GLU A 94 -3.241 15.282 8.538 1.00 52.04 C ATOM 1388 OE1 GLU A 94 -3.424 14.634 9.597 1.00 52.32 O ATOM 1389 OE2 GLU A 94 -4.168 15.539 7.764 1.00 61.13 O ATOM 0 H GLU A 94 -1.878 15.640 5.382 1.00 32.43 H new ATOM 0 HA GLU A 94 0.205 13.808 6.399 1.00 32.33 H new ATOM 0 HB2 GLU A 94 -0.886 13.988 8.616 1.00 65.43 H new ATOM 0 HB3 GLU A 94 0.184 15.281 8.111 1.00 65.43 H new ATOM 0 HG2 GLU A 94 -1.552 16.413 9.159 1.00 50.23 H new ATOM 0 HG3 GLU A 94 -1.947 16.577 7.459 1.00 50.23 H new ATOM 1396 N ILE A 95 -1.285 11.931 6.166 1.00 42.42 N ATOM 1397 CA ILE A 95 -2.064 10.808 5.733 1.00 70.53 C ATOM 1398 C ILE A 95 -2.068 9.705 6.806 1.00 23.41 C ATOM 1399 O ILE A 95 -1.101 9.573 7.582 1.00 70.44 O ATOM 1400 CB ILE A 95 -1.473 10.273 4.381 1.00 22.41 C ATOM 1401 CG1 ILE A 95 -2.399 9.297 3.700 1.00 73.04 C ATOM 1402 CG2 ILE A 95 -0.095 9.648 4.557 1.00 53.44 C ATOM 1403 CD1 ILE A 95 -3.649 9.938 3.166 1.00 73.42 C ATOM 0 H ILE A 95 -0.328 11.700 6.434 1.00 42.42 H new ATOM 0 HA ILE A 95 -3.098 11.117 5.578 1.00 70.53 H new ATOM 0 HB ILE A 95 -1.368 11.148 3.740 1.00 22.41 H new ATOM 0 HG12 ILE A 95 -1.868 8.814 2.880 1.00 73.04 H new ATOM 0 HG13 ILE A 95 -2.674 8.514 4.407 1.00 73.04 H new ATOM 0 HG21 ILE A 95 0.270 9.294 3.593 1.00 53.44 H new ATOM 0 HG22 ILE A 95 0.594 10.393 4.954 1.00 53.44 H new ATOM 0 HG23 ILE A 95 -0.162 8.809 5.250 1.00 53.44 H new ATOM 0 HD11 ILE A 95 -4.271 9.181 2.689 1.00 73.42 H new ATOM 0 HD12 ILE A 95 -4.201 10.397 3.986 1.00 73.42 H new ATOM 0 HD13 ILE A 95 -3.383 10.702 2.436 1.00 73.42 H new ATOM 1415 N ILE A 96 -3.150 8.950 6.886 1.00 23.23 N ATOM 1416 CA ILE A 96 -3.235 7.861 7.824 1.00 22.10 C ATOM 1417 C ILE A 96 -3.197 6.566 7.032 1.00 40.34 C ATOM 1418 O ILE A 96 -4.007 6.373 6.119 1.00 44.14 O ATOM 1419 CB ILE A 96 -4.549 7.893 8.707 1.00 73.14 C ATOM 1420 CG1 ILE A 96 -4.698 9.201 9.534 1.00 3.24 C ATOM 1421 CG2 ILE A 96 -4.604 6.689 9.645 1.00 43.11 C ATOM 1422 CD1 ILE A 96 -5.105 10.434 8.738 1.00 13.11 C ATOM 0 H ILE A 96 -3.981 9.077 6.308 1.00 23.23 H new ATOM 0 HA ILE A 96 -2.397 7.947 8.516 1.00 22.10 H new ATOM 0 HB ILE A 96 -5.382 7.854 8.005 1.00 73.14 H new ATOM 0 HG12 ILE A 96 -5.438 9.034 10.316 1.00 3.24 H new ATOM 0 HG13 ILE A 96 -3.750 9.407 10.031 1.00 3.24 H new ATOM 0 HG21 ILE A 96 -5.516 6.733 10.241 1.00 43.11 H new ATOM 0 HG22 ILE A 96 -4.598 5.770 9.058 1.00 43.11 H new ATOM 0 HG23 ILE A 96 -3.737 6.703 10.306 1.00 43.11 H new ATOM 0 HD11 ILE A 96 -5.181 11.291 9.408 1.00 13.11 H new ATOM 0 HD12 ILE A 96 -4.356 10.637 7.973 1.00 13.11 H new ATOM 0 HD13 ILE A 96 -6.070 10.258 8.263 1.00 13.11 H new ATOM 1434 N VAL A 97 -2.251 5.716 7.330 1.00 61.21 N ATOM 1435 CA VAL A 97 -2.131 4.451 6.646 1.00 45.54 C ATOM 1436 C VAL A 97 -2.922 3.388 7.373 1.00 22.41 C ATOM 1437 O VAL A 97 -2.721 3.154 8.559 1.00 64.53 O ATOM 1438 CB VAL A 97 -0.654 4.016 6.499 1.00 1.42 C ATOM 1439 CG1 VAL A 97 -0.551 2.623 5.895 1.00 3.00 C ATOM 1440 CG2 VAL A 97 0.082 5.004 5.627 1.00 53.34 C ATOM 0 H VAL A 97 -1.545 5.877 8.048 1.00 61.21 H new ATOM 0 HA VAL A 97 -2.538 4.577 5.643 1.00 45.54 H new ATOM 0 HB VAL A 97 -0.203 3.993 7.491 1.00 1.42 H new ATOM 0 HG11 VAL A 97 0.498 2.343 5.803 1.00 3.00 H new ATOM 0 HG12 VAL A 97 -1.062 1.908 6.540 1.00 3.00 H new ATOM 0 HG13 VAL A 97 -1.015 2.619 4.909 1.00 3.00 H new ATOM 0 HG21 VAL A 97 1.122 4.695 5.525 1.00 53.34 H new ATOM 0 HG22 VAL A 97 -0.384 5.038 4.642 1.00 53.34 H new ATOM 0 HG23 VAL A 97 0.040 5.993 6.083 1.00 53.34 H new ATOM 1450 N ARG A 98 -3.828 2.783 6.673 1.00 3.13 N ATOM 1451 CA ARG A 98 -4.660 1.748 7.206 1.00 35.03 C ATOM 1452 C ARG A 98 -4.460 0.472 6.449 1.00 41.40 C ATOM 1453 O ARG A 98 -4.242 0.480 5.242 1.00 0.20 O ATOM 1454 CB ARG A 98 -6.129 2.182 7.164 1.00 61.22 C ATOM 1455 CG ARG A 98 -6.496 3.166 8.254 1.00 25.51 C ATOM 1456 CD ARG A 98 -6.690 2.445 9.581 1.00 35.53 C ATOM 1457 NE ARG A 98 -7.968 1.710 9.601 1.00 13.02 N ATOM 1458 CZ ARG A 98 -8.141 0.391 9.787 1.00 42.52 C ATOM 1459 NH1 ARG A 98 -7.115 -0.422 9.938 1.00 31.01 N ATOM 1460 NH2 ARG A 98 -9.365 -0.107 9.813 1.00 41.50 N ATOM 0 H ARG A 98 -4.015 2.998 5.694 1.00 3.13 H new ATOM 0 HA ARG A 98 -4.381 1.571 8.245 1.00 35.03 H new ATOM 0 HB2 ARG A 98 -6.340 2.631 6.193 1.00 61.22 H new ATOM 0 HB3 ARG A 98 -6.763 1.300 7.252 1.00 61.22 H new ATOM 0 HG2 ARG A 98 -5.712 3.917 8.353 1.00 25.51 H new ATOM 0 HG3 ARG A 98 -7.411 3.693 7.983 1.00 25.51 H new ATOM 0 HD2 ARG A 98 -5.865 1.752 9.746 1.00 35.53 H new ATOM 0 HD3 ARG A 98 -6.669 3.167 10.398 1.00 35.53 H new ATOM 0 HE ARG A 98 -8.813 2.263 9.458 1.00 13.02 H new ATOM 0 HH11 ARG A 98 -6.164 -0.053 9.915 1.00 31.01 H new ATOM 0 HH12 ARG A 98 -7.272 -1.420 10.078 1.00 31.01 H new ATOM 0 HH21 ARG A 98 -10.169 0.509 9.692 1.00 41.50 H new ATOM 0 HH22 ARG A 98 -9.506 -1.107 9.954 1.00 41.50 H new ATOM 1474 N MET A 99 -4.457 -0.604 7.156 1.00 51.13 N ATOM 1475 CA MET A 99 -4.396 -1.895 6.559 1.00 74.24 C ATOM 1476 C MET A 99 -5.588 -2.662 6.990 1.00 12.33 C ATOM 1477 O MET A 99 -5.780 -2.932 8.178 1.00 3.34 O ATOM 1478 CB MET A 99 -3.114 -2.660 6.883 1.00 63.44 C ATOM 1479 CG MET A 99 -1.856 -2.015 6.339 1.00 53.55 C ATOM 1480 SD MET A 99 -0.395 -3.043 6.564 1.00 14.21 S ATOM 1481 CE MET A 99 0.829 -2.056 5.720 1.00 2.04 C ATOM 0 H MET A 99 -4.497 -0.614 8.175 1.00 51.13 H new ATOM 0 HA MET A 99 -4.386 -1.764 5.477 1.00 74.24 H new ATOM 0 HB2 MET A 99 -3.023 -2.754 7.965 1.00 63.44 H new ATOM 0 HB3 MET A 99 -3.195 -3.670 6.481 1.00 63.44 H new ATOM 0 HG2 MET A 99 -1.989 -1.807 5.277 1.00 53.55 H new ATOM 0 HG3 MET A 99 -1.701 -1.057 6.834 1.00 53.55 H new ATOM 0 HE1 MET A 99 1.796 -2.556 5.768 1.00 2.04 H new ATOM 0 HE2 MET A 99 0.538 -1.929 4.677 1.00 2.04 H new ATOM 0 HE3 MET A 99 0.902 -1.079 6.198 1.00 2.04 H new ATOM 1491 N HIS A 100 -6.404 -2.956 6.052 1.00 12.03 N ATOM 1492 CA HIS A 100 -7.617 -3.664 6.279 1.00 72.54 C ATOM 1493 C HIS A 100 -7.380 -5.094 5.856 1.00 44.51 C ATOM 1494 O HIS A 100 -7.054 -5.943 6.715 1.00 53.43 O ATOM 1495 CB HIS A 100 -8.769 -3.051 5.442 1.00 33.32 C ATOM 1496 CG HIS A 100 -8.947 -1.554 5.588 1.00 12.52 C ATOM 1497 ND1 HIS A 100 -9.828 -0.958 6.457 1.00 63.24 N ATOM 1498 CD2 HIS A 100 -8.345 -0.536 4.920 1.00 43.15 C ATOM 1499 CE1 HIS A 100 -9.742 0.364 6.296 1.00 74.44 C ATOM 1500 NE2 HIS A 100 -8.854 0.675 5.375 1.00 13.04 N ATOM 1501 OXT HIS A 100 -7.453 -5.372 4.647 1.00 38.73 O ATOM 0 H HIS A 100 -6.249 -2.707 5.075 1.00 12.03 H new ATOM 0 HA HIS A 100 -7.903 -3.606 7.329 1.00 72.54 H new ATOM 0 HB2 HIS A 100 -8.594 -3.279 4.391 1.00 33.32 H new ATOM 0 HB3 HIS A 100 -9.701 -3.541 5.723 1.00 33.32 H new ATOM 0 HD2 HIS A 100 -7.590 -0.649 4.156 1.00 43.15 H new ATOM 0 HE1 HIS A 100 -10.325 1.085 6.849 1.00 74.44 H new ATOM 0 HE2 HIS A 100 -8.594 1.610 5.061 1.00 13.04 H new