USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 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 24 ASN : amide:sc= -1.51! K(o=-2!,f=-3.9) USER MOD Set 1.2: A 107 MET CE :methyl 162:sc= -0.519 (180deg=-1.38) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 163:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.33) USER MOD Single : A 33 TYR OH : rot -70:sc= 1.33 USER MOD Single : A 39 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.19) USER MOD Single : A 40 SER OG : rot -10:sc= 0.0485 USER MOD Single : A 41 CYS SG : rot 5:sc= 0.175 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.0017) USER MOD Single : A 55 TYR OH : rot 112:sc= 0.0405 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00823 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0.88 (180deg=0.666) USER MOD Single : A 72 THR OG1 : rot 77:sc= 0.353 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.0035 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000803) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.09 (180deg=0.876) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 69:sc= 1.84 USER MOD Single : A 109 ASN : amide:sc= 1.18 K(o=1.2,f=-2.4) USER MOD Single : A 114 TYR OH : rot 165:sc= 0 USER MOD Single : A 117 SER OG : rot 75:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= 1.1 K(o=1.1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.845 -8.653 -11.352 1.00 32.22 N ATOM 19 CA GLY A 2 -1.592 -7.933 -11.177 1.00 1.42 C ATOM 20 C GLY A 2 -1.567 -6.601 -11.897 1.00 64.14 C ATOM 21 O GLY A 2 -1.358 -6.559 -13.110 1.00 42.51 O ATOM 0 HA2 GLY A 2 -1.420 -7.768 -10.113 1.00 1.42 H new ATOM 0 HA3 GLY A 2 -0.771 -8.551 -11.540 1.00 1.42 H new ATOM 25 N ILE A 3 -1.792 -5.527 -11.153 1.00 74.11 N ATOM 26 CA ILE A 3 -1.597 -4.151 -11.606 1.00 73.43 C ATOM 27 C ILE A 3 -0.091 -3.872 -11.722 1.00 45.23 C ATOM 28 O ILE A 3 0.717 -4.383 -10.940 1.00 22.20 O ATOM 29 CB ILE A 3 -2.270 -3.167 -10.621 1.00 13.32 C ATOM 30 CG1 ILE A 3 -3.740 -3.536 -10.354 1.00 21.41 C ATOM 31 CG2 ILE A 3 -2.193 -1.692 -11.060 1.00 22.21 C ATOM 32 CD1 ILE A 3 -4.268 -2.904 -9.062 1.00 62.11 C ATOM 0 H ILE A 3 -2.124 -5.587 -10.191 1.00 74.11 H new ATOM 0 HA ILE A 3 -2.059 -4.013 -12.583 1.00 73.43 H new ATOM 0 HB ILE A 3 -1.693 -3.267 -9.702 1.00 13.32 H new ATOM 0 HG12 ILE A 3 -4.353 -3.209 -11.194 1.00 21.41 H new ATOM 0 HG13 ILE A 3 -3.836 -4.620 -10.292 1.00 21.41 H new ATOM 0 HG21 ILE A 3 -2.687 -1.065 -10.318 1.00 22.21 H new ATOM 0 HG22 ILE A 3 -1.149 -1.393 -11.150 1.00 22.21 H new ATOM 0 HG23 ILE A 3 -2.689 -1.573 -12.023 1.00 22.21 H new ATOM 0 HD11 ILE A 3 -5.309 -3.192 -8.915 1.00 62.11 H new ATOM 0 HD12 ILE A 3 -3.673 -3.251 -8.217 1.00 62.11 H new ATOM 0 HD13 ILE A 3 -4.199 -1.819 -9.133 1.00 62.11 H new ATOM 44 N THR A 4 0.260 -3.014 -12.672 1.00 73.30 N ATOM 45 CA THR A 4 1.569 -2.390 -12.831 1.00 72.51 C ATOM 46 C THR A 4 1.656 -1.225 -11.840 1.00 50.52 C ATOM 47 O THR A 4 0.646 -0.576 -11.581 1.00 12.50 O ATOM 48 CB THR A 4 1.697 -1.845 -14.268 1.00 1.44 C ATOM 49 OG1 THR A 4 1.429 -2.826 -15.258 1.00 52.14 O ATOM 50 CG2 THR A 4 3.090 -1.280 -14.558 1.00 14.45 C ATOM 0 H THR A 4 -0.398 -2.718 -13.393 1.00 73.30 H new ATOM 0 HA THR A 4 2.365 -3.111 -12.646 1.00 72.51 H new ATOM 0 HB THR A 4 0.949 -1.054 -14.321 1.00 1.44 H new ATOM 0 HG1 THR A 4 1.523 -2.427 -16.148 1.00 52.14 H new ATOM 0 HG21 THR A 4 3.126 -0.910 -15.583 1.00 14.45 H new ATOM 0 HG22 THR A 4 3.302 -0.462 -13.869 1.00 14.45 H new ATOM 0 HG23 THR A 4 3.835 -2.065 -14.429 1.00 14.45 H new ATOM 58 N ILE A 5 2.843 -0.902 -11.317 1.00 31.21 N ATOM 59 CA ILE A 5 3.019 0.256 -10.452 1.00 65.30 C ATOM 60 C ILE A 5 4.087 1.161 -11.045 1.00 63.42 C ATOM 61 O ILE A 5 5.277 0.830 -11.072 1.00 72.22 O ATOM 62 CB ILE A 5 3.358 -0.189 -9.024 1.00 4.43 C ATOM 63 CG1 ILE A 5 2.380 -1.238 -8.458 1.00 44.22 C ATOM 64 CG2 ILE A 5 3.486 1.029 -8.107 1.00 2.33 C ATOM 65 CD1 ILE A 5 0.983 -0.740 -8.086 1.00 54.42 C ATOM 0 H ILE A 5 3.698 -1.434 -11.482 1.00 31.21 H new ATOM 0 HA ILE A 5 2.090 0.823 -10.391 1.00 65.30 H new ATOM 0 HB ILE A 5 4.322 -0.696 -9.068 1.00 4.43 H new ATOM 0 HG12 ILE A 5 2.273 -2.036 -9.193 1.00 44.22 H new ATOM 0 HG13 ILE A 5 2.832 -1.681 -7.570 1.00 44.22 H new ATOM 0 HG21 ILE A 5 3.727 0.700 -7.096 1.00 2.33 H new ATOM 0 HG22 ILE A 5 4.279 1.680 -8.475 1.00 2.33 H new ATOM 0 HG23 ILE A 5 2.543 1.576 -8.095 1.00 2.33 H new ATOM 0 HD11 ILE A 5 0.391 -1.570 -7.701 1.00 54.42 H new ATOM 0 HD12 ILE A 5 1.064 0.033 -7.322 1.00 54.42 H new ATOM 0 HD13 ILE A 5 0.497 -0.327 -8.970 1.00 54.42 H new ATOM 77 N THR A 6 3.646 2.306 -11.534 1.00 4.53 N ATOM 78 CA THR A 6 4.491 3.368 -12.042 1.00 74.32 C ATOM 79 C THR A 6 4.982 4.256 -10.890 1.00 42.11 C ATOM 80 O THR A 6 4.250 4.558 -9.942 1.00 3.33 O ATOM 81 CB THR A 6 3.711 4.128 -13.136 1.00 73.13 C ATOM 82 OG1 THR A 6 2.342 4.297 -12.822 1.00 12.10 O ATOM 83 CG2 THR A 6 3.726 3.311 -14.425 1.00 24.51 C ATOM 0 H THR A 6 2.652 2.529 -11.590 1.00 4.53 H new ATOM 0 HA THR A 6 5.395 2.971 -12.503 1.00 74.32 H new ATOM 0 HB THR A 6 4.195 5.100 -13.228 1.00 73.13 H new ATOM 0 HG1 THR A 6 1.962 5.005 -13.384 1.00 12.10 H new ATOM 0 HG21 THR A 6 3.176 3.844 -15.200 1.00 24.51 H new ATOM 0 HG22 THR A 6 4.756 3.161 -14.749 1.00 24.51 H new ATOM 0 HG23 THR A 6 3.257 2.343 -14.248 1.00 24.51 H new ATOM 91 N ASP A 7 6.236 4.697 -11.002 1.00 53.25 N ATOM 92 CA ASP A 7 6.862 5.777 -10.236 1.00 52.04 C ATOM 93 C ASP A 7 5.964 7.002 -10.165 1.00 73.55 C ATOM 94 O ASP A 7 5.862 7.586 -9.087 1.00 30.02 O ATOM 95 CB ASP A 7 8.212 6.195 -10.846 1.00 32.11 C ATOM 96 CG ASP A 7 8.254 6.004 -12.356 1.00 61.42 C ATOM 97 OD1 ASP A 7 7.661 6.825 -13.089 1.00 0.11 O ATOM 98 OD2 ASP A 7 8.743 4.921 -12.752 1.00 21.31 O ATOM 0 H ASP A 7 6.883 4.283 -11.673 1.00 53.25 H new ATOM 0 HA ASP A 7 7.024 5.386 -9.232 1.00 52.04 H new ATOM 0 HB2 ASP A 7 8.405 7.241 -10.610 1.00 32.11 H new ATOM 0 HB3 ASP A 7 9.010 5.612 -10.387 1.00 32.11 H new ATOM 103 N GLU A 8 5.301 7.365 -11.269 1.00 21.34 N ATOM 104 CA GLU A 8 4.414 8.522 -11.342 1.00 63.03 C ATOM 105 C GLU A 8 3.357 8.450 -10.219 1.00 71.24 C ATOM 106 O GLU A 8 3.087 9.434 -9.527 1.00 3.05 O ATOM 107 CB GLU A 8 3.812 8.623 -12.768 1.00 51.04 C ATOM 108 CG GLU A 8 2.551 7.756 -12.921 1.00 1.41 C ATOM 109 CD GLU A 8 1.981 7.509 -14.315 1.00 5.24 C ATOM 110 OE1 GLU A 8 1.701 8.479 -15.051 1.00 32.22 O ATOM 111 OE2 GLU A 8 1.659 6.324 -14.581 1.00 53.42 O ATOM 0 H GLU A 8 5.370 6.852 -12.148 1.00 21.34 H new ATOM 0 HA GLU A 8 4.969 9.445 -11.173 1.00 63.03 H new ATOM 0 HB2 GLU A 8 3.566 9.662 -12.986 1.00 51.04 H new ATOM 0 HB3 GLU A 8 4.558 8.312 -13.500 1.00 51.04 H new ATOM 0 HG2 GLU A 8 2.766 6.784 -12.478 1.00 1.41 H new ATOM 0 HG3 GLU A 8 1.764 8.213 -12.321 1.00 1.41 H new ATOM 118 N LEU A 9 2.777 7.260 -10.037 1.00 33.23 N ATOM 119 CA LEU A 9 1.603 6.984 -9.222 1.00 12.33 C ATOM 120 C LEU A 9 2.017 6.874 -7.765 1.00 15.12 C ATOM 121 O LEU A 9 1.282 7.263 -6.862 1.00 0.14 O ATOM 122 CB LEU A 9 0.980 5.658 -9.705 1.00 21.24 C ATOM 123 CG LEU A 9 -0.511 5.786 -10.050 1.00 70.10 C ATOM 124 CD1 LEU A 9 -0.923 4.588 -10.910 1.00 34.44 C ATOM 125 CD2 LEU A 9 -1.385 5.871 -8.795 1.00 11.01 C ATOM 0 H LEU A 9 3.140 6.418 -10.483 1.00 33.23 H new ATOM 0 HA LEU A 9 0.872 7.787 -9.315 1.00 12.33 H new ATOM 0 HB2 LEU A 9 1.522 5.307 -10.583 1.00 21.24 H new ATOM 0 HB3 LEU A 9 1.104 4.901 -8.931 1.00 21.24 H new ATOM 0 HG LEU A 9 -0.661 6.714 -10.602 1.00 70.10 H new ATOM 0 HD11 LEU A 9 -1.981 4.667 -11.162 1.00 34.44 H new ATOM 0 HD12 LEU A 9 -0.332 4.577 -11.826 1.00 34.44 H new ATOM 0 HD13 LEU A 9 -0.750 3.666 -10.356 1.00 34.44 H new ATOM 0 HD21 LEU A 9 -2.432 5.961 -9.086 1.00 11.01 H new ATOM 0 HD22 LEU A 9 -1.251 4.970 -8.196 1.00 11.01 H new ATOM 0 HD23 LEU A 9 -1.096 6.743 -8.208 1.00 11.01 H new ATOM 137 N LEU A 10 3.212 6.336 -7.536 1.00 74.25 N ATOM 138 CA LEU A 10 3.854 6.295 -6.238 1.00 53.31 C ATOM 139 C LEU A 10 4.142 7.733 -5.786 1.00 52.10 C ATOM 140 O LEU A 10 3.789 8.115 -4.667 1.00 72.25 O ATOM 141 CB LEU A 10 5.130 5.449 -6.351 1.00 41.53 C ATOM 142 CG LEU A 10 4.901 3.946 -6.550 1.00 63.32 C ATOM 143 CD1 LEU A 10 6.209 3.293 -7.011 1.00 71.20 C ATOM 144 CD2 LEU A 10 4.451 3.259 -5.262 1.00 44.54 C ATOM 0 H LEU A 10 3.771 5.906 -8.273 1.00 74.25 H new ATOM 0 HA LEU A 10 3.213 5.834 -5.487 1.00 53.31 H new ATOM 0 HB2 LEU A 10 5.722 5.824 -7.186 1.00 41.53 H new ATOM 0 HB3 LEU A 10 5.724 5.593 -5.448 1.00 41.53 H new ATOM 0 HG LEU A 10 4.115 3.830 -7.296 1.00 63.32 H new ATOM 0 HD11 LEU A 10 6.051 2.224 -7.154 1.00 71.20 H new ATOM 0 HD12 LEU A 10 6.528 3.742 -7.952 1.00 71.20 H new ATOM 0 HD13 LEU A 10 6.979 3.448 -6.256 1.00 71.20 H new ATOM 0 HD21 LEU A 10 4.301 2.196 -5.450 1.00 44.54 H new ATOM 0 HD22 LEU A 10 5.215 3.388 -4.495 1.00 44.54 H new ATOM 0 HD23 LEU A 10 3.516 3.703 -4.921 1.00 44.54 H new ATOM 156 N TRP A 11 4.754 8.550 -6.650 1.00 30.32 N ATOM 157 CA TRP A 11 5.187 9.907 -6.322 1.00 32.21 C ATOM 158 C TRP A 11 3.983 10.811 -6.079 1.00 71.53 C ATOM 159 O TRP A 11 4.061 11.705 -5.239 1.00 23.42 O ATOM 160 CB TRP A 11 6.085 10.515 -7.412 1.00 43.33 C ATOM 161 CG TRP A 11 7.562 10.315 -7.235 1.00 61.32 C ATOM 162 CD1 TRP A 11 8.382 9.654 -8.083 1.00 11.13 C ATOM 163 CD2 TRP A 11 8.420 10.797 -6.158 1.00 4.13 C ATOM 164 NE1 TRP A 11 9.652 9.592 -7.552 1.00 74.53 N ATOM 165 CE2 TRP A 11 9.728 10.262 -6.353 1.00 71.11 C ATOM 166 CE3 TRP A 11 8.226 11.623 -5.029 1.00 52.35 C ATOM 167 CZ2 TRP A 11 10.772 10.483 -5.446 1.00 63.35 C ATOM 168 CZ3 TRP A 11 9.272 11.861 -4.117 1.00 51.11 C ATOM 169 CH2 TRP A 11 10.538 11.287 -4.321 1.00 5.13 C ATOM 0 H TRP A 11 4.964 8.280 -7.611 1.00 30.32 H new ATOM 0 HA TRP A 11 5.779 9.836 -5.409 1.00 32.21 H new ATOM 0 HB2 TRP A 11 5.794 10.091 -8.373 1.00 43.33 H new ATOM 0 HB3 TRP A 11 5.887 11.586 -7.463 1.00 43.33 H new ATOM 0 HD1 TRP A 11 8.086 9.237 -9.034 1.00 11.13 H new ATOM 0 HE1 TRP A 11 10.436 9.110 -7.992 1.00 74.53 H new ATOM 0 HE3 TRP A 11 7.261 12.079 -4.863 1.00 52.35 H new ATOM 0 HZ2 TRP A 11 11.743 10.041 -5.611 1.00 63.35 H new ATOM 0 HZ3 TRP A 11 9.100 12.489 -3.255 1.00 51.11 H new ATOM 0 HH2 TRP A 11 11.332 11.465 -3.611 1.00 5.13 H new ATOM 180 N ALA A 12 2.866 10.566 -6.767 1.00 24.12 N ATOM 181 CA ALA A 12 1.600 11.242 -6.538 1.00 64.22 C ATOM 182 C ALA A 12 1.218 11.174 -5.057 1.00 31.14 C ATOM 183 O ALA A 12 0.928 12.209 -4.450 1.00 61.14 O ATOM 184 CB ALA A 12 0.548 10.600 -7.441 1.00 32.21 C ATOM 0 H ALA A 12 2.822 9.874 -7.515 1.00 24.12 H new ATOM 0 HA ALA A 12 1.676 12.300 -6.787 1.00 64.22 H new ATOM 0 HB1 ALA A 12 -0.413 11.091 -7.287 1.00 32.21 H new ATOM 0 HB2 ALA A 12 0.848 10.709 -8.483 1.00 32.21 H new ATOM 0 HB3 ALA A 12 0.457 9.541 -7.198 1.00 32.21 H new ATOM 190 N ILE A 13 1.265 9.973 -4.467 1.00 64.21 N ATOM 191 CA ILE A 13 0.972 9.751 -3.058 1.00 14.34 C ATOM 192 C ILE A 13 2.038 10.440 -2.200 1.00 11.13 C ATOM 193 O ILE A 13 1.725 11.029 -1.166 1.00 72.41 O ATOM 194 CB ILE A 13 0.931 8.256 -2.724 1.00 44.22 C ATOM 195 CG1 ILE A 13 -0.118 7.526 -3.585 1.00 20.13 C ATOM 196 CG2 ILE A 13 0.585 8.057 -1.239 1.00 13.35 C ATOM 197 CD1 ILE A 13 0.407 6.163 -3.982 1.00 53.34 C ATOM 0 H ILE A 13 1.512 9.120 -4.968 1.00 64.21 H new ATOM 0 HA ILE A 13 -0.010 10.172 -2.844 1.00 14.34 H new ATOM 0 HB ILE A 13 1.916 7.839 -2.936 1.00 44.22 H new ATOM 0 HG12 ILE A 13 -1.049 7.420 -3.028 1.00 20.13 H new ATOM 0 HG13 ILE A 13 -0.344 8.113 -4.475 1.00 20.13 H new ATOM 0 HG21 ILE A 13 0.558 6.991 -1.011 1.00 13.35 H new ATOM 0 HG22 ILE A 13 1.341 8.541 -0.621 1.00 13.35 H new ATOM 0 HG23 ILE A 13 -0.390 8.497 -1.030 1.00 13.35 H new ATOM 0 HD11 ILE A 13 -0.337 5.650 -4.591 1.00 53.34 H new ATOM 0 HD12 ILE A 13 1.327 6.280 -4.555 1.00 53.34 H new ATOM 0 HD13 ILE A 13 0.610 5.576 -3.086 1.00 53.34 H new ATOM 209 N LEU A 14 3.317 10.304 -2.579 1.00 55.41 N ATOM 210 CA LEU A 14 4.429 10.843 -1.799 1.00 34.11 C ATOM 211 C LEU A 14 4.302 12.351 -1.668 1.00 61.24 C ATOM 212 O LEU A 14 4.540 12.870 -0.580 1.00 74.40 O ATOM 213 CB LEU A 14 5.803 10.476 -2.389 1.00 13.21 C ATOM 214 CG LEU A 14 6.163 8.982 -2.315 1.00 43.13 C ATOM 215 CD1 LEU A 14 7.553 8.731 -2.909 1.00 61.12 C ATOM 216 CD2 LEU A 14 6.121 8.466 -0.875 1.00 22.24 C ATOM 0 H LEU A 14 3.604 9.820 -3.430 1.00 55.41 H new ATOM 0 HA LEU A 14 4.372 10.385 -0.812 1.00 34.11 H new ATOM 0 HB2 LEU A 14 5.829 10.790 -3.433 1.00 13.21 H new ATOM 0 HB3 LEU A 14 6.571 11.046 -1.866 1.00 13.21 H new ATOM 0 HG LEU A 14 5.418 8.440 -2.898 1.00 43.13 H new ATOM 0 HD11 LEU A 14 7.789 7.669 -2.847 1.00 61.12 H new ATOM 0 HD12 LEU A 14 7.565 9.045 -3.953 1.00 61.12 H new ATOM 0 HD13 LEU A 14 8.296 9.301 -2.350 1.00 61.12 H new ATOM 0 HD21 LEU A 14 6.380 7.407 -0.860 1.00 22.24 H new ATOM 0 HD22 LEU A 14 6.835 9.023 -0.268 1.00 22.24 H new ATOM 0 HD23 LEU A 14 5.118 8.599 -0.470 1.00 22.24 H new ATOM 228 N LYS A 15 3.914 13.062 -2.728 1.00 64.12 N ATOM 229 CA LYS A 15 3.581 14.468 -2.616 1.00 50.04 C ATOM 230 C LYS A 15 2.285 14.604 -1.818 1.00 72.45 C ATOM 231 O LYS A 15 2.347 14.738 -0.594 1.00 12.11 O ATOM 232 CB LYS A 15 3.542 15.117 -4.015 1.00 31.12 C ATOM 233 CG LYS A 15 4.884 15.069 -4.772 1.00 23.32 C ATOM 234 CD LYS A 15 5.998 15.794 -4.013 1.00 10.40 C ATOM 235 CE LYS A 15 7.282 15.914 -4.844 1.00 34.31 C ATOM 236 NZ LYS A 15 8.202 16.915 -4.260 1.00 12.44 N ATOM 0 H LYS A 15 3.825 12.680 -3.670 1.00 64.12 H new ATOM 0 HA LYS A 15 4.347 15.016 -2.067 1.00 50.04 H new ATOM 0 HB2 LYS A 15 2.782 14.616 -4.614 1.00 31.12 H new ATOM 0 HB3 LYS A 15 3.233 16.157 -3.912 1.00 31.12 H new ATOM 0 HG2 LYS A 15 5.172 14.030 -4.933 1.00 23.32 H new ATOM 0 HG3 LYS A 15 4.762 15.522 -5.756 1.00 23.32 H new ATOM 0 HD2 LYS A 15 5.655 16.790 -3.731 1.00 10.40 H new ATOM 0 HD3 LYS A 15 6.214 15.258 -3.089 1.00 10.40 H new ATOM 0 HE2 LYS A 15 7.778 14.945 -4.894 1.00 34.31 H new ATOM 0 HE3 LYS A 15 7.032 16.198 -5.866 1.00 34.31 H new ATOM 0 HZ1 LYS A 15 9.062 16.977 -4.841 1.00 12.44 H new ATOM 0 HZ2 LYS A 15 7.734 17.843 -4.235 1.00 12.44 H new ATOM 0 HZ3 LYS A 15 8.457 16.630 -3.293 1.00 12.44 H new ATOM 250 N ASP A 16 1.107 14.520 -2.448 1.00 23.42 N ATOM 251 CA ASP A 16 -0.164 14.786 -1.749 1.00 55.32 C ATOM 252 C ASP A 16 -1.413 14.575 -2.611 1.00 71.24 C ATOM 253 O ASP A 16 -2.501 14.961 -2.194 1.00 32.31 O ATOM 254 CB ASP A 16 -0.201 16.232 -1.184 1.00 32.03 C ATOM 255 CG ASP A 16 -0.842 16.345 0.200 1.00 42.54 C ATOM 256 OD1 ASP A 16 -1.429 15.373 0.726 1.00 4.02 O ATOM 257 OD2 ASP A 16 -0.698 17.416 0.828 1.00 65.13 O ATOM 0 H ASP A 16 1.003 14.272 -3.432 1.00 23.42 H new ATOM 0 HA ASP A 16 -0.191 14.052 -0.944 1.00 55.32 H new ATOM 0 HB2 ASP A 16 0.817 16.617 -1.134 1.00 32.03 H new ATOM 0 HB3 ASP A 16 -0.748 16.868 -1.879 1.00 32.03 H new ATOM 262 N GLU A 17 -1.278 14.051 -3.832 1.00 11.23 N ATOM 263 CA GLU A 17 -2.304 14.010 -4.848 1.00 22.21 C ATOM 264 C GLU A 17 -3.467 13.090 -4.478 1.00 23.41 C ATOM 265 O GLU A 17 -4.637 13.396 -4.725 1.00 44.31 O ATOM 266 CB GLU A 17 -1.582 13.502 -6.094 1.00 54.35 C ATOM 267 CG GLU A 17 -2.384 13.833 -7.329 1.00 13.54 C ATOM 268 CD GLU A 17 -1.696 13.321 -8.589 1.00 31.20 C ATOM 269 OE1 GLU A 17 -0.873 14.064 -9.176 1.00 65.42 O ATOM 270 OE2 GLU A 17 -1.983 12.172 -8.981 1.00 64.43 O ATOM 0 H GLU A 17 -0.404 13.626 -4.142 1.00 11.23 H new ATOM 0 HA GLU A 17 -2.760 14.990 -4.988 1.00 22.21 H new ATOM 0 HB2 GLU A 17 -0.593 13.955 -6.161 1.00 54.35 H new ATOM 0 HB3 GLU A 17 -1.435 12.424 -6.025 1.00 54.35 H new ATOM 0 HG2 GLU A 17 -3.377 13.391 -7.249 1.00 13.54 H new ATOM 0 HG3 GLU A 17 -2.520 14.912 -7.399 1.00 13.54 H new ATOM 277 N LEU A 18 -3.129 11.937 -3.904 1.00 42.00 N ATOM 278 CA LEU A 18 -4.097 11.036 -3.308 1.00 23.25 C ATOM 279 C LEU A 18 -4.601 11.648 -2.003 1.00 75.42 C ATOM 280 O LEU A 18 -4.005 12.576 -1.454 1.00 55.21 O ATOM 281 CB LEU A 18 -3.436 9.684 -3.020 1.00 40.34 C ATOM 282 CG LEU A 18 -3.566 8.603 -4.094 1.00 53.15 C ATOM 283 CD1 LEU A 18 -4.981 8.061 -4.246 1.00 3.42 C ATOM 284 CD2 LEU A 18 -2.943 9.028 -5.427 1.00 11.51 C ATOM 0 H LEU A 18 -2.167 11.605 -3.842 1.00 42.00 H new ATOM 0 HA LEU A 18 -4.931 10.885 -3.993 1.00 23.25 H new ATOM 0 HB2 LEU A 18 -2.375 9.857 -2.841 1.00 40.34 H new ATOM 0 HB3 LEU A 18 -3.856 9.293 -2.093 1.00 40.34 H new ATOM 0 HG LEU A 18 -2.978 7.759 -3.734 1.00 53.15 H new ATOM 0 HD11 LEU A 18 -4.997 7.299 -5.025 1.00 3.42 H new ATOM 0 HD12 LEU A 18 -5.306 7.622 -3.303 1.00 3.42 H new ATOM 0 HD13 LEU A 18 -5.654 8.873 -4.519 1.00 3.42 H new ATOM 0 HD21 LEU A 18 -3.061 8.226 -6.156 1.00 11.51 H new ATOM 0 HD22 LEU A 18 -3.441 9.926 -5.791 1.00 11.51 H new ATOM 0 HD23 LEU A 18 -1.882 9.234 -5.284 1.00 11.51 H new ATOM 296 N SER A 19 -5.626 11.035 -1.429 1.00 30.55 N ATOM 297 CA SER A 19 -6.163 11.392 -0.115 1.00 13.44 C ATOM 298 C SER A 19 -5.924 10.234 0.857 1.00 52.11 C ATOM 299 O SER A 19 -5.217 9.288 0.511 1.00 41.15 O ATOM 300 CB SER A 19 -7.633 11.806 -0.256 1.00 43.04 C ATOM 301 OG SER A 19 -7.947 12.788 0.715 1.00 40.34 O ATOM 0 H SER A 19 -6.121 10.259 -1.869 1.00 30.55 H new ATOM 0 HA SER A 19 -5.648 12.256 0.305 1.00 13.44 H new ATOM 0 HB2 SER A 19 -7.816 12.198 -1.256 1.00 43.04 H new ATOM 0 HB3 SER A 19 -8.279 10.937 -0.131 1.00 43.04 H new ATOM 0 HG SER A 19 -8.886 13.052 0.622 1.00 40.34 H new ATOM 307 N ASP A 20 -6.442 10.297 2.085 1.00 34.24 N ATOM 308 CA ASP A 20 -6.202 9.236 3.070 1.00 2.41 C ATOM 309 C ASP A 20 -6.924 7.978 2.599 1.00 24.54 C ATOM 310 O ASP A 20 -6.303 6.949 2.332 1.00 63.11 O ATOM 311 CB ASP A 20 -6.628 9.602 4.507 1.00 44.04 C ATOM 312 CG ASP A 20 -6.073 10.916 5.035 1.00 43.34 C ATOM 313 OD1 ASP A 20 -4.873 11.210 4.848 1.00 61.43 O ATOM 314 OD2 ASP A 20 -6.840 11.710 5.616 1.00 12.35 O ATOM 0 H ASP A 20 -7.025 11.063 2.421 1.00 34.24 H new ATOM 0 HA ASP A 20 -5.125 9.076 3.127 1.00 2.41 H new ATOM 0 HB2 ASP A 20 -7.716 9.645 4.546 1.00 44.04 H new ATOM 0 HB3 ASP A 20 -6.316 8.800 5.176 1.00 44.04 H new ATOM 319 N ALA A 21 -8.246 8.080 2.444 1.00 63.43 N ATOM 320 CA ALA A 21 -9.092 6.993 1.981 1.00 75.25 C ATOM 321 C ALA A 21 -8.691 6.517 0.583 1.00 65.00 C ATOM 322 O ALA A 21 -8.625 5.316 0.327 1.00 52.41 O ATOM 323 CB ALA A 21 -10.542 7.476 1.975 1.00 2.11 C ATOM 0 H ALA A 21 -8.761 8.938 2.642 1.00 63.43 H new ATOM 0 HA ALA A 21 -8.974 6.145 2.655 1.00 75.25 H new ATOM 0 HB1 ALA A 21 -11.192 6.672 1.630 1.00 2.11 H new ATOM 0 HB2 ALA A 21 -10.832 7.769 2.984 1.00 2.11 H new ATOM 0 HB3 ALA A 21 -10.638 8.332 1.307 1.00 2.11 H new ATOM 329 N GLU A 22 -8.421 7.452 -0.325 1.00 12.33 N ATOM 330 CA GLU A 22 -8.100 7.138 -1.711 1.00 21.03 C ATOM 331 C GLU A 22 -6.774 6.381 -1.775 1.00 51.42 C ATOM 332 O GLU A 22 -6.616 5.464 -2.581 1.00 1.14 O ATOM 333 CB GLU A 22 -8.014 8.429 -2.535 1.00 23.44 C ATOM 334 CG GLU A 22 -9.324 9.220 -2.533 1.00 54.23 C ATOM 335 CD GLU A 22 -9.253 10.528 -3.327 1.00 54.51 C ATOM 336 OE1 GLU A 22 -8.146 11.025 -3.621 1.00 44.14 O ATOM 337 OE2 GLU A 22 -10.344 11.111 -3.556 1.00 73.43 O ATOM 0 H GLU A 22 -8.419 8.451 -0.118 1.00 12.33 H new ATOM 0 HA GLU A 22 -8.887 6.509 -2.128 1.00 21.03 H new ATOM 0 HB2 GLU A 22 -7.215 9.056 -2.138 1.00 23.44 H new ATOM 0 HB3 GLU A 22 -7.745 8.182 -3.562 1.00 23.44 H new ATOM 0 HG2 GLU A 22 -10.116 8.596 -2.947 1.00 54.23 H new ATOM 0 HG3 GLU A 22 -9.601 9.445 -1.503 1.00 54.23 H new ATOM 344 N ALA A 23 -5.800 6.758 -0.939 1.00 42.13 N ATOM 345 CA ALA A 23 -4.515 6.080 -0.944 1.00 41.23 C ATOM 346 C ALA A 23 -4.587 4.730 -0.235 1.00 2.14 C ATOM 347 O ALA A 23 -3.699 3.905 -0.461 1.00 10.21 O ATOM 348 CB ALA A 23 -3.433 6.933 -0.297 1.00 3.00 C ATOM 0 H ALA A 23 -5.882 7.518 -0.263 1.00 42.13 H new ATOM 0 HA ALA A 23 -4.256 5.913 -1.990 1.00 41.23 H new ATOM 0 HB1 ALA A 23 -2.485 6.395 -0.318 1.00 3.00 H new ATOM 0 HB2 ALA A 23 -3.331 7.869 -0.846 1.00 3.00 H new ATOM 0 HB3 ALA A 23 -3.707 7.146 0.736 1.00 3.00 H new ATOM 354 N ASN A 24 -5.598 4.495 0.609 1.00 21.54 N ATOM 355 CA ASN A 24 -5.921 3.144 1.053 1.00 43.41 C ATOM 356 C ASN A 24 -6.373 2.339 -0.168 1.00 52.42 C ATOM 357 O ASN A 24 -5.872 1.236 -0.378 1.00 41.52 O ATOM 358 CB ASN A 24 -7.025 3.071 2.122 1.00 11.02 C ATOM 359 CG ASN A 24 -6.739 3.642 3.500 1.00 60.21 C ATOM 360 OD1 ASN A 24 -5.615 3.610 3.985 1.00 21.25 O ATOM 361 ND2 ASN A 24 -7.772 4.074 4.210 1.00 53.01 N ATOM 0 H ASN A 24 -6.201 5.222 0.994 1.00 21.54 H new ATOM 0 HA ASN A 24 -5.020 2.742 1.517 1.00 43.41 H new ATOM 0 HB2 ASN A 24 -7.903 3.582 1.727 1.00 11.02 H new ATOM 0 HB3 ASN A 24 -7.296 2.023 2.247 1.00 11.02 H new ATOM 0 HD21 ASN A 24 -7.636 4.385 5.172 1.00 53.01 H new ATOM 0 HD22 ASN A 24 -8.703 4.096 3.794 1.00 53.01 H new ATOM 368 N ALA A 25 -7.287 2.885 -0.986 1.00 54.55 N ATOM 369 CA ALA A 25 -7.904 2.165 -2.099 1.00 71.40 C ATOM 370 C ALA A 25 -6.871 1.534 -3.024 1.00 31.13 C ATOM 371 O ALA A 25 -7.013 0.356 -3.347 1.00 74.43 O ATOM 372 CB ALA A 25 -8.838 3.050 -2.926 1.00 50.34 C ATOM 0 H ALA A 25 -7.617 3.845 -0.889 1.00 54.55 H new ATOM 0 HA ALA A 25 -8.493 1.375 -1.634 1.00 71.40 H new ATOM 0 HB1 ALA A 25 -9.269 2.465 -3.739 1.00 50.34 H new ATOM 0 HB2 ALA A 25 -9.637 3.430 -2.290 1.00 50.34 H new ATOM 0 HB3 ALA A 25 -8.275 3.886 -3.340 1.00 50.34 H new ATOM 378 N LEU A 26 -5.836 2.275 -3.450 1.00 54.33 N ATOM 379 CA LEU A 26 -4.812 1.724 -4.330 1.00 33.52 C ATOM 380 C LEU A 26 -4.098 0.510 -3.716 1.00 60.24 C ATOM 381 O LEU A 26 -3.703 -0.400 -4.447 1.00 24.24 O ATOM 382 CB LEU A 26 -3.776 2.794 -4.682 1.00 20.54 C ATOM 383 CG LEU A 26 -4.301 4.083 -5.338 1.00 12.01 C ATOM 384 CD1 LEU A 26 -3.103 5.005 -5.576 1.00 14.45 C ATOM 385 CD2 LEU A 26 -5.026 3.811 -6.659 1.00 4.22 C ATOM 0 H LEU A 26 -5.693 3.253 -3.197 1.00 54.33 H new ATOM 0 HA LEU A 26 -5.325 1.389 -5.232 1.00 33.52 H new ATOM 0 HB2 LEU A 26 -3.249 3.069 -3.769 1.00 20.54 H new ATOM 0 HB3 LEU A 26 -3.041 2.347 -5.352 1.00 20.54 H new ATOM 0 HG LEU A 26 -5.031 4.546 -4.674 1.00 12.01 H new ATOM 0 HD11 LEU A 26 -3.443 5.930 -6.041 1.00 14.45 H new ATOM 0 HD12 LEU A 26 -2.624 5.232 -4.624 1.00 14.45 H new ATOM 0 HD13 LEU A 26 -2.388 4.510 -6.233 1.00 14.45 H new ATOM 0 HD21 LEU A 26 -5.377 4.752 -7.082 1.00 4.22 H new ATOM 0 HD22 LEU A 26 -4.341 3.332 -7.358 1.00 4.22 H new ATOM 0 HD23 LEU A 26 -5.877 3.154 -6.478 1.00 4.22 H new ATOM 397 N VAL A 27 -3.926 0.445 -2.394 1.00 40.34 N ATOM 398 CA VAL A 27 -3.386 -0.748 -1.746 1.00 65.41 C ATOM 399 C VAL A 27 -4.414 -1.879 -1.897 1.00 44.11 C ATOM 400 O VAL A 27 -4.074 -2.971 -2.356 1.00 43.43 O ATOM 401 CB VAL A 27 -3.001 -0.444 -0.279 1.00 2.35 C ATOM 402 CG1 VAL A 27 -2.434 -1.677 0.437 1.00 53.24 C ATOM 403 CG2 VAL A 27 -1.946 0.676 -0.201 1.00 0.33 C ATOM 0 H VAL A 27 -4.153 1.205 -1.753 1.00 40.34 H new ATOM 0 HA VAL A 27 -2.461 -1.072 -2.222 1.00 65.41 H new ATOM 0 HB VAL A 27 -3.922 -0.132 0.214 1.00 2.35 H new ATOM 0 HG11 VAL A 27 -2.178 -1.416 1.464 1.00 53.24 H new ATOM 0 HG12 VAL A 27 -3.180 -2.471 0.440 1.00 53.24 H new ATOM 0 HG13 VAL A 27 -1.540 -2.021 -0.084 1.00 53.24 H new ATOM 0 HG21 VAL A 27 -1.695 0.868 0.842 1.00 0.33 H new ATOM 0 HG22 VAL A 27 -1.049 0.369 -0.739 1.00 0.33 H new ATOM 0 HG23 VAL A 27 -2.346 1.585 -0.651 1.00 0.33 H new ATOM 413 N TRP A 28 -5.680 -1.615 -1.570 1.00 51.32 N ATOM 414 CA TRP A 28 -6.747 -2.608 -1.573 1.00 53.31 C ATOM 415 C TRP A 28 -6.923 -3.266 -2.941 1.00 43.04 C ATOM 416 O TRP A 28 -6.999 -4.498 -3.015 1.00 73.22 O ATOM 417 CB TRP A 28 -8.054 -1.959 -1.108 1.00 75.33 C ATOM 418 CG TRP A 28 -8.015 -1.240 0.203 1.00 15.51 C ATOM 419 CD1 TRP A 28 -7.088 -1.389 1.180 1.00 21.54 C ATOM 420 CD2 TRP A 28 -8.997 -0.294 0.722 1.00 43.23 C ATOM 421 NE1 TRP A 28 -7.433 -0.612 2.263 1.00 4.35 N ATOM 422 CE2 TRP A 28 -8.625 0.037 2.052 1.00 23.13 C ATOM 423 CE3 TRP A 28 -10.200 0.264 0.240 1.00 73.23 C ATOM 424 CZ2 TRP A 28 -9.434 0.804 2.891 1.00 23.03 C ATOM 425 CZ3 TRP A 28 -11.005 1.077 1.062 1.00 23.11 C ATOM 426 CH2 TRP A 28 -10.635 1.326 2.395 1.00 30.42 C ATOM 0 H TRP A 28 -5.995 -0.686 -1.291 1.00 51.32 H new ATOM 0 HA TRP A 28 -6.469 -3.401 -0.879 1.00 53.31 H new ATOM 0 HB2 TRP A 28 -8.375 -1.253 -1.874 1.00 75.33 H new ATOM 0 HB3 TRP A 28 -8.817 -2.735 -1.049 1.00 75.33 H new ATOM 0 HD1 TRP A 28 -6.214 -2.020 1.119 1.00 21.54 H new ATOM 0 HE1 TRP A 28 -6.875 -0.529 3.113 1.00 4.35 H new ATOM 0 HE3 TRP A 28 -10.509 0.065 -0.776 1.00 73.23 H new ATOM 0 HZ2 TRP A 28 -9.137 0.993 3.912 1.00 23.03 H new ATOM 0 HZ3 TRP A 28 -11.911 1.511 0.666 1.00 23.11 H new ATOM 0 HH2 TRP A 28 -11.274 1.917 3.034 1.00 30.42 H new ATOM 437 N GLN A 29 -6.947 -2.477 -4.023 1.00 61.03 N ATOM 438 CA GLN A 29 -7.105 -3.029 -5.371 1.00 44.53 C ATOM 439 C GLN A 29 -5.991 -4.030 -5.709 1.00 31.51 C ATOM 440 O GLN A 29 -6.253 -5.050 -6.347 1.00 54.44 O ATOM 441 CB GLN A 29 -7.202 -1.922 -6.439 1.00 75.32 C ATOM 442 CG GLN A 29 -6.094 -0.883 -6.388 1.00 2.14 C ATOM 443 CD GLN A 29 -6.023 0.090 -7.560 1.00 72.34 C ATOM 444 OE1 GLN A 29 -5.026 0.783 -7.713 1.00 63.15 O ATOM 445 NE2 GLN A 29 -7.046 0.216 -8.390 1.00 62.11 N ATOM 0 H GLN A 29 -6.860 -1.461 -3.990 1.00 61.03 H new ATOM 0 HA GLN A 29 -8.050 -3.572 -5.380 1.00 44.53 H new ATOM 0 HB2 GLN A 29 -7.198 -2.387 -7.425 1.00 75.32 H new ATOM 0 HB3 GLN A 29 -8.161 -1.415 -6.329 1.00 75.32 H new ATOM 0 HG2 GLN A 29 -6.209 -0.305 -5.471 1.00 2.14 H new ATOM 0 HG3 GLN A 29 -5.139 -1.405 -6.319 1.00 2.14 H new ATOM 0 HE21 GLN A 29 -7.878 -0.360 -8.265 1.00 62.11 H new ATOM 0 HE22 GLN A 29 -7.002 0.889 -9.155 1.00 62.11 H new ATOM 454 N ALA A 30 -4.761 -3.757 -5.269 1.00 55.14 N ATOM 455 CA ALA A 30 -3.615 -4.616 -5.525 1.00 41.11 C ATOM 456 C ALA A 30 -3.638 -5.898 -4.706 1.00 72.24 C ATOM 457 O ALA A 30 -3.213 -6.934 -5.228 1.00 1.10 O ATOM 458 CB ALA A 30 -2.324 -3.859 -5.233 1.00 11.34 C ATOM 0 H ALA A 30 -4.536 -2.926 -4.722 1.00 55.14 H new ATOM 0 HA ALA A 30 -3.666 -4.899 -6.576 1.00 41.11 H new ATOM 0 HB1 ALA A 30 -1.470 -4.508 -5.427 1.00 11.34 H new ATOM 0 HB2 ALA A 30 -2.265 -2.980 -5.875 1.00 11.34 H new ATOM 0 HB3 ALA A 30 -2.313 -3.547 -4.189 1.00 11.34 H new ATOM 464 N LEU A 31 -4.103 -5.870 -3.450 1.00 60.41 N ATOM 465 CA LEU A 31 -4.303 -7.121 -2.712 1.00 35.44 C ATOM 466 C LEU A 31 -5.380 -7.942 -3.394 1.00 73.35 C ATOM 467 O LEU A 31 -5.234 -9.159 -3.515 1.00 75.00 O ATOM 468 CB LEU A 31 -4.690 -6.925 -1.237 1.00 73.10 C ATOM 469 CG LEU A 31 -3.522 -6.772 -0.251 1.00 31.40 C ATOM 470 CD1 LEU A 31 -2.423 -7.815 -0.444 1.00 32.14 C ATOM 471 CD2 LEU A 31 -3.053 -5.329 -0.279 1.00 71.10 C ATOM 0 H LEU A 31 -4.341 -5.021 -2.937 1.00 60.41 H new ATOM 0 HA LEU A 31 -3.341 -7.633 -2.719 1.00 35.44 H new ATOM 0 HB2 LEU A 31 -5.322 -6.040 -1.162 1.00 73.10 H new ATOM 0 HB3 LEU A 31 -5.295 -7.776 -0.924 1.00 73.10 H new ATOM 0 HG LEU A 31 -3.867 -6.988 0.760 1.00 31.40 H new ATOM 0 HD11 LEU A 31 -1.630 -7.648 0.285 1.00 32.14 H new ATOM 0 HD12 LEU A 31 -2.840 -8.813 -0.305 1.00 32.14 H new ATOM 0 HD13 LEU A 31 -2.014 -7.730 -1.451 1.00 32.14 H new ATOM 0 HD21 LEU A 31 -2.223 -5.203 0.416 1.00 71.10 H new ATOM 0 HD22 LEU A 31 -2.725 -5.073 -1.286 1.00 71.10 H new ATOM 0 HD23 LEU A 31 -3.874 -4.674 0.013 1.00 71.10 H new ATOM 483 N GLY A 32 -6.398 -7.270 -3.928 1.00 22.13 N ATOM 484 CA GLY A 32 -7.419 -7.868 -4.764 1.00 24.33 C ATOM 485 C GLY A 32 -8.820 -7.600 -4.241 1.00 4.33 C ATOM 486 O GLY A 32 -9.718 -8.311 -4.665 1.00 71.53 O ATOM 0 H GLY A 32 -6.533 -6.269 -3.783 1.00 22.13 H new ATOM 0 HA2 GLY A 32 -7.331 -7.477 -5.778 1.00 24.33 H new ATOM 0 HA3 GLY A 32 -7.254 -8.944 -4.822 1.00 24.33 H new ATOM 490 N TYR A 33 -9.020 -6.684 -3.284 1.00 11.44 N ATOM 491 CA TYR A 33 -10.294 -6.577 -2.577 1.00 53.11 C ATOM 492 C TYR A 33 -11.453 -6.281 -3.525 1.00 12.24 C ATOM 493 O TYR A 33 -12.372 -7.077 -3.554 1.00 11.22 O ATOM 494 CB TYR A 33 -10.212 -5.595 -1.404 1.00 2.14 C ATOM 495 CG TYR A 33 -9.501 -6.190 -0.200 1.00 71.24 C ATOM 496 CD1 TYR A 33 -10.222 -6.973 0.721 1.00 31.55 C ATOM 497 CD2 TYR A 33 -8.115 -6.022 -0.030 1.00 64.30 C ATOM 498 CE1 TYR A 33 -9.565 -7.608 1.790 1.00 12.33 C ATOM 499 CE2 TYR A 33 -7.446 -6.655 1.033 1.00 64.13 C ATOM 500 CZ TYR A 33 -8.170 -7.460 1.938 1.00 23.33 C ATOM 501 OH TYR A 33 -7.502 -8.104 2.930 1.00 53.20 O ATOM 0 H TYR A 33 -8.315 -6.010 -2.985 1.00 11.44 H new ATOM 0 HA TYR A 33 -10.507 -7.553 -2.142 1.00 53.11 H new ATOM 0 HB2 TYR A 33 -9.688 -4.694 -1.724 1.00 2.14 H new ATOM 0 HB3 TYR A 33 -11.219 -5.293 -1.115 1.00 2.14 H new ATOM 0 HD1 TYR A 33 -11.290 -7.087 0.606 1.00 31.55 H new ATOM 0 HD2 TYR A 33 -7.561 -5.403 -0.720 1.00 64.30 H new ATOM 0 HE1 TYR A 33 -10.125 -8.206 2.494 1.00 12.33 H new ATOM 0 HE2 TYR A 33 -6.381 -6.525 1.156 1.00 64.13 H new ATOM 0 HH TYR A 33 -7.744 -7.712 3.795 1.00 53.20 H new ATOM 511 N VAL A 34 -11.374 -5.222 -4.340 1.00 32.35 N ATOM 512 CA VAL A 34 -12.409 -4.687 -5.221 1.00 65.43 C ATOM 513 C VAL A 34 -13.792 -4.593 -4.549 1.00 75.33 C ATOM 514 O VAL A 34 -14.465 -5.592 -4.284 1.00 40.22 O ATOM 515 CB VAL A 34 -12.364 -5.345 -6.625 1.00 41.41 C ATOM 516 CG1 VAL A 34 -12.324 -6.877 -6.667 1.00 5.03 C ATOM 517 CG2 VAL A 34 -13.544 -4.872 -7.470 1.00 3.03 C ATOM 0 H VAL A 34 -10.514 -4.677 -4.402 1.00 32.35 H new ATOM 0 HA VAL A 34 -12.179 -3.639 -5.414 1.00 65.43 H new ATOM 0 HB VAL A 34 -11.405 -5.017 -7.026 1.00 41.41 H new ATOM 0 HG11 VAL A 34 -12.295 -7.212 -7.704 1.00 5.03 H new ATOM 0 HG12 VAL A 34 -11.435 -7.232 -6.146 1.00 5.03 H new ATOM 0 HG13 VAL A 34 -13.214 -7.278 -6.181 1.00 5.03 H new ATOM 0 HG21 VAL A 34 -13.499 -5.342 -8.453 1.00 3.03 H new ATOM 0 HG22 VAL A 34 -14.477 -5.147 -6.978 1.00 3.03 H new ATOM 0 HG23 VAL A 34 -13.499 -3.789 -7.583 1.00 3.03 H new ATOM 527 N TRP A 35 -14.245 -3.365 -4.279 1.00 23.54 N ATOM 528 CA TRP A 35 -15.595 -3.154 -3.773 1.00 64.32 C ATOM 529 C TRP A 35 -16.615 -3.770 -4.729 1.00 33.11 C ATOM 530 O TRP A 35 -16.511 -3.656 -5.960 1.00 44.34 O ATOM 531 CB TRP A 35 -15.896 -1.673 -3.544 1.00 21.10 C ATOM 532 CG TRP A 35 -17.294 -1.421 -3.071 1.00 33.31 C ATOM 533 CD1 TRP A 35 -18.294 -0.900 -3.815 1.00 14.14 C ATOM 534 CD2 TRP A 35 -17.905 -1.777 -1.794 1.00 22.04 C ATOM 535 NE1 TRP A 35 -19.457 -0.873 -3.077 1.00 74.31 N ATOM 536 CE2 TRP A 35 -19.287 -1.448 -1.841 1.00 13.13 C ATOM 537 CE3 TRP A 35 -17.443 -2.380 -0.609 1.00 72.13 C ATOM 538 CZ2 TRP A 35 -20.157 -1.703 -0.774 1.00 74.33 C ATOM 539 CZ3 TRP A 35 -18.297 -2.618 0.484 1.00 43.43 C ATOM 540 CH2 TRP A 35 -19.655 -2.273 0.405 1.00 61.30 C ATOM 0 H TRP A 35 -13.699 -2.512 -4.402 1.00 23.54 H new ATOM 0 HA TRP A 35 -15.668 -3.649 -2.805 1.00 64.32 H new ATOM 0 HB2 TRP A 35 -15.194 -1.276 -2.811 1.00 21.10 H new ATOM 0 HB3 TRP A 35 -15.730 -1.127 -4.473 1.00 21.10 H new ATOM 0 HD1 TRP A 35 -18.196 -0.557 -4.834 1.00 14.14 H new ATOM 0 HE1 TRP A 35 -20.336 -0.475 -3.408 1.00 74.31 H new ATOM 0 HE3 TRP A 35 -16.405 -2.668 -0.537 1.00 72.13 H new ATOM 0 HZ2 TRP A 35 -21.207 -1.463 -0.858 1.00 74.33 H new ATOM 0 HZ3 TRP A 35 -17.907 -3.067 1.385 1.00 43.43 H new ATOM 0 HH2 TRP A 35 -20.309 -2.445 1.247 1.00 61.30 H new ATOM 551 N ASP A 36 -17.617 -4.399 -4.134 1.00 22.22 N ATOM 552 CA ASP A 36 -18.656 -5.156 -4.789 1.00 43.02 C ATOM 553 C ASP A 36 -19.971 -4.464 -4.509 1.00 61.11 C ATOM 554 O ASP A 36 -20.774 -4.907 -3.694 1.00 64.20 O ATOM 555 CB ASP A 36 -18.624 -6.622 -4.321 1.00 32.40 C ATOM 556 CG ASP A 36 -18.896 -7.622 -5.435 1.00 2.02 C ATOM 557 OD1 ASP A 36 -18.730 -7.266 -6.628 1.00 54.13 O ATOM 558 OD2 ASP A 36 -19.186 -8.788 -5.108 1.00 35.34 O ATOM 0 H ASP A 36 -17.727 -4.390 -3.120 1.00 22.22 H new ATOM 0 HA ASP A 36 -18.509 -5.190 -5.868 1.00 43.02 H new ATOM 0 HB2 ASP A 36 -17.648 -6.834 -3.884 1.00 32.40 H new ATOM 0 HB3 ASP A 36 -19.363 -6.759 -3.532 1.00 32.40 H new ATOM 563 N GLU A 37 -20.205 -3.350 -5.197 1.00 25.54 N ATOM 564 CA GLU A 37 -21.436 -2.574 -5.082 1.00 0.31 C ATOM 565 C GLU A 37 -22.667 -3.470 -5.291 1.00 22.51 C ATOM 566 O GLU A 37 -23.679 -3.317 -4.616 1.00 33.15 O ATOM 567 CB GLU A 37 -21.367 -1.436 -6.109 1.00 65.44 C ATOM 568 CG GLU A 37 -22.585 -0.503 -6.070 1.00 63.41 C ATOM 569 CD GLU A 37 -22.618 0.441 -7.270 1.00 31.25 C ATOM 570 OE1 GLU A 37 -22.501 -0.045 -8.415 1.00 64.13 O ATOM 571 OE2 GLU A 37 -22.877 1.656 -7.090 1.00 63.20 O ATOM 0 H GLU A 37 -19.536 -2.956 -5.859 1.00 25.54 H new ATOM 0 HA GLU A 37 -21.535 -2.152 -4.082 1.00 0.31 H new ATOM 0 HB2 GLU A 37 -20.465 -0.851 -5.931 1.00 65.44 H new ATOM 0 HB3 GLU A 37 -21.278 -1.863 -7.108 1.00 65.44 H new ATOM 0 HG2 GLU A 37 -23.498 -1.098 -6.051 1.00 63.41 H new ATOM 0 HG3 GLU A 37 -22.566 0.080 -5.150 1.00 63.41 H new ATOM 578 N ALA A 38 -22.544 -4.461 -6.174 1.00 34.10 N ATOM 579 CA ALA A 38 -23.581 -5.403 -6.554 1.00 32.44 C ATOM 580 C ALA A 38 -23.812 -6.511 -5.521 1.00 31.02 C ATOM 581 O ALA A 38 -24.663 -7.374 -5.745 1.00 73.14 O ATOM 582 CB ALA A 38 -23.134 -6.043 -7.856 1.00 44.15 C ATOM 0 H ALA A 38 -21.668 -4.632 -6.667 1.00 34.10 H new ATOM 0 HA ALA A 38 -24.522 -4.859 -6.640 1.00 32.44 H new ATOM 0 HB1 ALA A 38 -23.884 -6.762 -8.184 1.00 44.15 H new ATOM 0 HB2 ALA A 38 -23.013 -5.272 -8.617 1.00 44.15 H new ATOM 0 HB3 ALA A 38 -22.184 -6.554 -7.703 1.00 44.15 H new ATOM 588 N GLN A 39 -23.014 -6.561 -4.455 1.00 1.23 N ATOM 589 CA GLN A 39 -23.212 -7.437 -3.304 1.00 20.34 C ATOM 590 C GLN A 39 -23.155 -6.641 -1.978 1.00 2.25 C ATOM 591 O GLN A 39 -23.360 -7.214 -0.910 1.00 30.04 O ATOM 592 CB GLN A 39 -22.218 -8.619 -3.359 1.00 54.44 C ATOM 593 CG GLN A 39 -22.374 -9.462 -4.637 1.00 14.31 C ATOM 594 CD GLN A 39 -21.656 -10.814 -4.645 1.00 51.21 C ATOM 595 OE1 GLN A 39 -22.025 -11.749 -3.940 1.00 50.03 O ATOM 596 NE2 GLN A 39 -20.646 -10.984 -5.477 1.00 23.43 N ATOM 0 H GLN A 39 -22.185 -5.973 -4.367 1.00 1.23 H new ATOM 0 HA GLN A 39 -24.213 -7.866 -3.344 1.00 20.34 H new ATOM 0 HB2 GLN A 39 -21.199 -8.236 -3.303 1.00 54.44 H new ATOM 0 HB3 GLN A 39 -22.367 -9.256 -2.487 1.00 54.44 H new ATOM 0 HG2 GLN A 39 -23.437 -9.637 -4.805 1.00 14.31 H new ATOM 0 HG3 GLN A 39 -22.011 -8.876 -5.481 1.00 14.31 H new ATOM 0 HE21 GLN A 39 -20.334 -10.211 -6.066 1.00 23.43 H new ATOM 0 HE22 GLN A 39 -20.177 -11.888 -5.532 1.00 23.43 H new ATOM 605 N SER A 40 -22.928 -5.323 -2.041 1.00 24.00 N ATOM 606 CA SER A 40 -22.638 -4.368 -0.977 1.00 22.22 C ATOM 607 C SER A 40 -21.612 -4.876 0.039 1.00 4.42 C ATOM 608 O SER A 40 -21.725 -4.622 1.243 1.00 33.45 O ATOM 609 CB SER A 40 -23.885 -3.711 -0.379 1.00 64.13 C ATOM 610 OG SER A 40 -24.799 -4.595 0.245 1.00 2.42 O ATOM 0 H SER A 40 -22.947 -4.852 -2.945 1.00 24.00 H new ATOM 0 HA SER A 40 -22.126 -3.537 -1.462 1.00 22.22 H new ATOM 0 HB2 SER A 40 -23.568 -2.968 0.353 1.00 64.13 H new ATOM 0 HB3 SER A 40 -24.408 -3.175 -1.171 1.00 64.13 H new ATOM 0 HG SER A 40 -24.549 -5.521 0.042 1.00 2.42 H new ATOM 616 N CYS A 41 -20.569 -5.546 -0.450 1.00 51.33 N ATOM 617 CA CYS A 41 -19.447 -6.011 0.355 1.00 63.45 C ATOM 618 C CYS A 41 -18.155 -5.770 -0.415 1.00 62.52 C ATOM 619 O CYS A 41 -18.176 -5.392 -1.583 1.00 10.22 O ATOM 620 CB CYS A 41 -19.633 -7.497 0.684 1.00 25.32 C ATOM 621 SG CYS A 41 -21.045 -7.709 1.800 1.00 24.33 S ATOM 0 H CYS A 41 -20.482 -5.784 -1.438 1.00 51.33 H new ATOM 0 HA CYS A 41 -19.399 -5.462 1.296 1.00 63.45 H new ATOM 0 HB2 CYS A 41 -19.794 -8.064 -0.233 1.00 25.32 H new ATOM 0 HB3 CYS A 41 -18.729 -7.892 1.148 1.00 25.32 H new ATOM 0 HG CYS A 41 -21.631 -6.563 1.980 1.00 24.33 H new ATOM 627 N TRP A 42 -17.019 -6.009 0.225 1.00 62.30 N ATOM 628 CA TRP A 42 -15.758 -6.170 -0.485 1.00 24.10 C ATOM 629 C TRP A 42 -15.749 -7.569 -1.086 1.00 50.31 C ATOM 630 O TRP A 42 -16.311 -8.492 -0.484 1.00 21.12 O ATOM 631 CB TRP A 42 -14.620 -5.962 0.512 1.00 21.33 C ATOM 632 CG TRP A 42 -14.629 -4.563 1.038 1.00 75.21 C ATOM 633 CD1 TRP A 42 -15.268 -4.140 2.152 1.00 13.43 C ATOM 634 CD2 TRP A 42 -14.119 -3.365 0.387 1.00 12.20 C ATOM 635 NE1 TRP A 42 -15.176 -2.766 2.239 1.00 10.42 N ATOM 636 CE2 TRP A 42 -14.498 -2.230 1.163 1.00 24.23 C ATOM 637 CE3 TRP A 42 -13.446 -3.124 -0.828 1.00 42.04 C ATOM 638 CZ2 TRP A 42 -14.201 -0.919 0.759 1.00 12.02 C ATOM 639 CZ3 TRP A 42 -13.119 -1.815 -1.230 1.00 33.34 C ATOM 640 CH2 TRP A 42 -13.506 -0.714 -0.445 1.00 52.12 C ATOM 0 H TRP A 42 -16.945 -6.096 1.239 1.00 62.30 H new ATOM 0 HA TRP A 42 -15.634 -5.445 -1.289 1.00 24.10 H new ATOM 0 HB2 TRP A 42 -14.719 -6.667 1.337 1.00 21.33 H new ATOM 0 HB3 TRP A 42 -13.665 -6.169 0.030 1.00 21.33 H new ATOM 0 HD1 TRP A 42 -15.772 -4.778 2.863 1.00 13.43 H new ATOM 0 HE1 TRP A 42 -15.562 -2.214 3.005 1.00 10.42 H new ATOM 0 HE3 TRP A 42 -13.177 -3.957 -1.461 1.00 42.04 H new ATOM 0 HZ2 TRP A 42 -14.503 -0.078 1.366 1.00 12.02 H new ATOM 0 HZ3 TRP A 42 -12.568 -1.656 -2.145 1.00 33.34 H new ATOM 0 HH2 TRP A 42 -13.269 0.289 -0.768 1.00 52.12 H new ATOM 651 N LYS A 43 -15.136 -7.766 -2.256 1.00 2.02 N ATOM 652 CA LYS A 43 -14.846 -9.128 -2.681 1.00 4.42 C ATOM 653 C LYS A 43 -13.639 -9.617 -1.908 1.00 11.14 C ATOM 654 O LYS A 43 -12.787 -8.845 -1.472 1.00 1.25 O ATOM 655 CB LYS A 43 -14.639 -9.243 -4.196 1.00 43.25 C ATOM 656 CG LYS A 43 -15.934 -8.893 -4.911 1.00 74.24 C ATOM 657 CD LYS A 43 -16.086 -9.518 -6.293 1.00 63.43 C ATOM 658 CE LYS A 43 -15.234 -8.762 -7.293 1.00 50.24 C ATOM 659 NZ LYS A 43 -15.557 -9.195 -8.661 1.00 35.01 N ATOM 0 H LYS A 43 -14.843 -7.031 -2.899 1.00 2.02 H new ATOM 0 HA LYS A 43 -15.707 -9.760 -2.463 1.00 4.42 H new ATOM 0 HB2 LYS A 43 -13.841 -8.573 -4.517 1.00 43.25 H new ATOM 0 HB3 LYS A 43 -14.329 -10.255 -4.456 1.00 43.25 H new ATOM 0 HG2 LYS A 43 -16.773 -9.208 -4.290 1.00 74.24 H new ATOM 0 HG3 LYS A 43 -15.998 -7.809 -5.008 1.00 74.24 H new ATOM 0 HD2 LYS A 43 -15.786 -10.566 -6.264 1.00 63.43 H new ATOM 0 HD3 LYS A 43 -17.132 -9.494 -6.600 1.00 63.43 H new ATOM 0 HE2 LYS A 43 -15.406 -7.690 -7.192 1.00 50.24 H new ATOM 0 HE3 LYS A 43 -14.178 -8.936 -7.088 1.00 50.24 H new ATOM 0 HZ1 LYS A 43 -14.968 -8.671 -9.339 1.00 35.01 H new ATOM 0 HZ2 LYS A 43 -15.371 -10.214 -8.756 1.00 35.01 H new ATOM 0 HZ3 LYS A 43 -16.561 -9.007 -8.857 1.00 35.01 H new ATOM 673 N THR A 44 -13.510 -10.928 -1.856 1.00 24.15 N ATOM 674 CA THR A 44 -12.311 -11.585 -1.363 1.00 32.14 C ATOM 675 C THR A 44 -11.921 -12.741 -2.291 1.00 14.43 C ATOM 676 O THR A 44 -11.036 -13.529 -1.972 1.00 4.10 O ATOM 677 CB THR A 44 -12.485 -11.930 0.134 1.00 23.41 C ATOM 678 OG1 THR A 44 -13.841 -11.930 0.537 1.00 14.14 O ATOM 679 CG2 THR A 44 -11.797 -10.873 1.001 1.00 31.44 C ATOM 0 H THR A 44 -14.239 -11.575 -2.157 1.00 24.15 H new ATOM 0 HA THR A 44 -11.447 -10.921 -1.393 1.00 32.14 H new ATOM 0 HB THR A 44 -12.054 -12.923 0.261 1.00 23.41 H new ATOM 0 HG1 THR A 44 -13.899 -12.155 1.489 1.00 14.14 H new ATOM 0 HG21 THR A 44 -11.926 -11.126 2.053 1.00 31.44 H new ATOM 0 HG22 THR A 44 -10.734 -10.843 0.763 1.00 31.44 H new ATOM 0 HG23 THR A 44 -12.241 -9.897 0.805 1.00 31.44 H new ATOM 687 N ASP A 45 -12.527 -12.826 -3.480 1.00 62.25 N ATOM 688 CA ASP A 45 -12.245 -13.835 -4.494 1.00 31.41 C ATOM 689 C ASP A 45 -10.812 -13.667 -4.976 1.00 61.03 C ATOM 690 O ASP A 45 -10.053 -14.636 -5.001 1.00 44.11 O ATOM 691 CB ASP A 45 -13.205 -13.696 -5.687 1.00 73.31 C ATOM 692 CG ASP A 45 -14.547 -14.385 -5.452 1.00 31.13 C ATOM 693 OD1 ASP A 45 -14.566 -15.610 -5.210 1.00 52.21 O ATOM 694 OD2 ASP A 45 -15.589 -13.698 -5.582 1.00 74.33 O ATOM 0 H ASP A 45 -13.252 -12.169 -3.768 1.00 62.25 H new ATOM 0 HA ASP A 45 -12.382 -14.823 -4.054 1.00 31.41 H new ATOM 0 HB2 ASP A 45 -13.375 -12.638 -5.889 1.00 73.31 H new ATOM 0 HB3 ASP A 45 -12.736 -14.118 -6.576 1.00 73.31 H new ATOM 699 N LEU A 46 -10.437 -12.437 -5.345 1.00 52.34 N ATOM 700 CA LEU A 46 -9.120 -12.125 -5.887 1.00 24.33 C ATOM 701 C LEU A 46 -8.090 -11.851 -4.789 1.00 2.12 C ATOM 702 O LEU A 46 -6.917 -11.645 -5.107 1.00 31.43 O ATOM 703 CB LEU A 46 -9.178 -10.907 -6.826 1.00 4.20 C ATOM 704 CG LEU A 46 -9.995 -11.052 -8.117 1.00 33.34 C ATOM 705 CD1 LEU A 46 -9.804 -9.773 -8.944 1.00 43.25 C ATOM 706 CD2 LEU A 46 -9.563 -12.258 -8.952 1.00 53.24 C ATOM 0 H LEU A 46 -11.050 -11.625 -5.273 1.00 52.34 H new ATOM 0 HA LEU A 46 -8.808 -13.007 -6.446 1.00 24.33 H new ATOM 0 HB2 LEU A 46 -9.583 -10.066 -6.263 1.00 4.20 H new ATOM 0 HB3 LEU A 46 -8.157 -10.644 -7.101 1.00 4.20 H new ATOM 0 HG LEU A 46 -11.039 -11.207 -7.846 1.00 33.34 H new ATOM 0 HD11 LEU A 46 -10.375 -9.849 -9.869 1.00 43.25 H new ATOM 0 HD12 LEU A 46 -10.154 -8.914 -8.371 1.00 43.25 H new ATOM 0 HD13 LEU A 46 -8.747 -9.646 -9.179 1.00 43.25 H new ATOM 0 HD21 LEU A 46 -10.173 -12.314 -9.854 1.00 53.24 H new ATOM 0 HD22 LEU A 46 -8.514 -12.152 -9.229 1.00 53.24 H new ATOM 0 HD23 LEU A 46 -9.693 -13.170 -8.369 1.00 53.24 H new ATOM 718 N VAL A 47 -8.500 -11.788 -3.522 1.00 13.45 N ATOM 719 CA VAL A 47 -7.574 -11.616 -2.413 1.00 71.20 C ATOM 720 C VAL A 47 -6.904 -12.972 -2.161 1.00 12.21 C ATOM 721 O VAL A 47 -7.520 -14.027 -2.327 1.00 61.12 O ATOM 722 CB VAL A 47 -8.312 -11.054 -1.181 1.00 40.31 C ATOM 723 CG1 VAL A 47 -7.380 -10.859 0.025 1.00 51.13 C ATOM 724 CG2 VAL A 47 -8.929 -9.685 -1.498 1.00 22.32 C ATOM 0 H VAL A 47 -9.478 -11.855 -3.241 1.00 13.45 H new ATOM 0 HA VAL A 47 -6.798 -10.886 -2.643 1.00 71.20 H new ATOM 0 HB VAL A 47 -9.078 -11.788 -0.934 1.00 40.31 H new ATOM 0 HG11 VAL A 47 -7.950 -10.462 0.865 1.00 51.13 H new ATOM 0 HG12 VAL A 47 -6.942 -11.817 0.305 1.00 51.13 H new ATOM 0 HG13 VAL A 47 -6.586 -10.160 -0.238 1.00 51.13 H new ATOM 0 HG21 VAL A 47 -9.445 -9.306 -0.616 1.00 22.32 H new ATOM 0 HG22 VAL A 47 -8.141 -8.989 -1.785 1.00 22.32 H new ATOM 0 HG23 VAL A 47 -9.640 -9.787 -2.318 1.00 22.32 H new ATOM 734 N ALA A 48 -5.629 -12.933 -1.773 1.00 54.10 N ATOM 735 CA ALA A 48 -4.851 -14.112 -1.428 1.00 5.22 C ATOM 736 C ALA A 48 -5.381 -14.777 -0.146 1.00 15.15 C ATOM 737 O ALA A 48 -5.955 -14.077 0.699 1.00 63.32 O ATOM 738 CB ALA A 48 -3.404 -13.664 -1.233 1.00 23.24 C ATOM 0 H ALA A 48 -5.103 -12.063 -1.690 1.00 54.10 H new ATOM 0 HA ALA A 48 -4.926 -14.852 -2.225 1.00 5.22 H new ATOM 0 HB1 ALA A 48 -2.789 -14.525 -0.972 1.00 23.24 H new ATOM 0 HB2 ALA A 48 -3.033 -13.219 -2.157 1.00 23.24 H new ATOM 0 HB3 ALA A 48 -3.356 -12.927 -0.431 1.00 23.24 H new ATOM 744 N PRO A 49 -5.123 -16.084 0.064 1.00 43.41 N ATOM 745 CA PRO A 49 -5.654 -16.837 1.197 1.00 23.40 C ATOM 746 C PRO A 49 -5.201 -16.228 2.519 1.00 2.33 C ATOM 747 O PRO A 49 -6.022 -16.026 3.412 1.00 44.45 O ATOM 748 CB PRO A 49 -5.183 -18.286 1.004 1.00 31.44 C ATOM 749 CG PRO A 49 -3.989 -18.184 0.060 1.00 63.02 C ATOM 750 CD PRO A 49 -4.308 -16.951 -0.780 1.00 15.15 C ATOM 0 HA PRO A 49 -6.743 -16.805 1.236 1.00 23.40 H new ATOM 0 HB2 PRO A 49 -4.899 -18.740 1.954 1.00 31.44 H new ATOM 0 HB3 PRO A 49 -5.972 -18.905 0.578 1.00 31.44 H new ATOM 0 HG2 PRO A 49 -3.053 -18.067 0.607 1.00 63.02 H new ATOM 0 HG3 PRO A 49 -3.888 -19.076 -0.558 1.00 63.02 H new ATOM 0 HD2 PRO A 49 -3.394 -16.445 -1.091 1.00 15.15 H new ATOM 0 HD3 PRO A 49 -4.844 -17.227 -1.688 1.00 15.15 H new ATOM 758 N GLU A 50 -3.919 -15.873 2.634 1.00 10.42 N ATOM 759 CA GLU A 50 -3.364 -15.357 3.875 1.00 3.14 C ATOM 760 C GLU A 50 -3.951 -14.000 4.278 1.00 54.03 C ATOM 761 O GLU A 50 -3.872 -13.645 5.453 1.00 3.11 O ATOM 762 CB GLU A 50 -1.833 -15.326 3.794 1.00 54.33 C ATOM 763 CG GLU A 50 -1.255 -14.251 2.860 1.00 1.11 C ATOM 764 CD GLU A 50 0.263 -14.415 2.704 1.00 43.21 C ATOM 765 OE1 GLU A 50 0.977 -14.559 3.726 1.00 41.42 O ATOM 766 OE2 GLU A 50 0.761 -14.454 1.557 1.00 13.25 O ATOM 0 H GLU A 50 -3.245 -15.937 1.871 1.00 10.42 H new ATOM 0 HA GLU A 50 -3.654 -16.040 4.673 1.00 3.14 H new ATOM 0 HB2 GLU A 50 -1.434 -15.168 4.796 1.00 54.33 H new ATOM 0 HB3 GLU A 50 -1.482 -16.303 3.461 1.00 54.33 H new ATOM 0 HG2 GLU A 50 -1.734 -14.318 1.883 1.00 1.11 H new ATOM 0 HG3 GLU A 50 -1.478 -13.261 3.257 1.00 1.11 H new ATOM 773 N TRP A 51 -4.550 -13.248 3.345 1.00 22.21 N ATOM 774 CA TRP A 51 -5.237 -11.996 3.643 1.00 2.30 C ATOM 775 C TRP A 51 -6.703 -12.271 3.952 1.00 40.41 C ATOM 776 O TRP A 51 -7.148 -11.965 5.058 1.00 53.42 O ATOM 777 CB TRP A 51 -5.037 -10.971 2.517 1.00 11.11 C ATOM 778 CG TRP A 51 -3.708 -10.287 2.572 1.00 0.11 C ATOM 779 CD1 TRP A 51 -2.577 -10.758 2.014 1.00 35.24 C ATOM 780 CD2 TRP A 51 -3.326 -9.046 3.244 1.00 62.31 C ATOM 781 NE1 TRP A 51 -1.517 -9.949 2.365 1.00 30.04 N ATOM 782 CE2 TRP A 51 -1.907 -8.900 3.172 1.00 40.13 C ATOM 783 CE3 TRP A 51 -4.039 -8.023 3.901 1.00 63.21 C ATOM 784 CZ2 TRP A 51 -1.229 -7.841 3.808 1.00 41.43 C ATOM 785 CZ3 TRP A 51 -3.380 -6.971 4.555 1.00 52.14 C ATOM 786 CH2 TRP A 51 -1.980 -6.893 4.518 1.00 53.23 C ATOM 0 H TRP A 51 -4.568 -13.498 2.356 1.00 22.21 H new ATOM 0 HA TRP A 51 -4.799 -11.546 4.534 1.00 2.30 H new ATOM 0 HB2 TRP A 51 -5.140 -11.473 1.555 1.00 11.11 H new ATOM 0 HB3 TRP A 51 -5.827 -10.222 2.572 1.00 11.11 H new ATOM 0 HD1 TRP A 51 -2.510 -11.635 1.387 1.00 35.24 H new ATOM 0 HE1 TRP A 51 -0.556 -10.108 2.063 1.00 30.04 H new ATOM 0 HE3 TRP A 51 -5.119 -8.050 3.901 1.00 63.21 H new ATOM 0 HZ2 TRP A 51 -0.154 -7.761 3.750 1.00 41.43 H new ATOM 0 HZ3 TRP A 51 -3.950 -6.223 5.086 1.00 52.14 H new ATOM 0 HH2 TRP A 51 -1.475 -6.095 5.042 1.00 53.23 H new ATOM 797 N ARG A 52 -7.458 -12.873 3.023 1.00 44.42 N ATOM 798 CA ARG A 52 -8.903 -13.066 3.210 1.00 13.13 C ATOM 799 C ARG A 52 -9.256 -13.976 4.386 1.00 33.12 C ATOM 800 O ARG A 52 -10.408 -13.987 4.805 1.00 41.43 O ATOM 801 CB ARG A 52 -9.563 -13.556 1.922 1.00 73.53 C ATOM 802 CG ARG A 52 -9.255 -15.013 1.551 1.00 12.12 C ATOM 803 CD ARG A 52 -9.802 -15.250 0.146 1.00 72.01 C ATOM 804 NE ARG A 52 -9.789 -16.662 -0.252 1.00 5.23 N ATOM 805 CZ ARG A 52 -10.367 -17.136 -1.357 1.00 64.43 C ATOM 806 NH1 ARG A 52 -10.820 -16.313 -2.294 1.00 44.23 N ATOM 807 NH2 ARG A 52 -10.551 -18.438 -1.507 1.00 0.51 N ATOM 0 H ARG A 52 -7.096 -13.233 2.140 1.00 44.42 H new ATOM 0 HA ARG A 52 -9.304 -12.084 3.461 1.00 13.13 H new ATOM 0 HB2 ARG A 52 -10.643 -13.441 2.018 1.00 73.53 H new ATOM 0 HB3 ARG A 52 -9.246 -12.913 1.101 1.00 73.53 H new ATOM 0 HG2 ARG A 52 -8.181 -15.198 1.581 1.00 12.12 H new ATOM 0 HG3 ARG A 52 -9.717 -15.697 2.263 1.00 12.12 H new ATOM 0 HD2 ARG A 52 -10.824 -14.874 0.093 1.00 72.01 H new ATOM 0 HD3 ARG A 52 -9.213 -14.673 -0.567 1.00 72.01 H new ATOM 0 HE ARG A 52 -9.307 -17.324 0.356 1.00 5.23 H new ATOM 0 HH11 ARG A 52 -10.728 -15.304 -2.174 1.00 44.23 H new ATOM 0 HH12 ARG A 52 -11.260 -16.689 -3.134 1.00 44.23 H new ATOM 0 HH21 ARG A 52 -10.251 -19.083 -0.776 1.00 0.51 H new ATOM 0 HH22 ARG A 52 -10.993 -18.796 -2.353 1.00 0.51 H new ATOM 821 N GLN A 53 -8.263 -14.676 4.930 1.00 55.34 N ATOM 822 CA GLN A 53 -8.326 -15.509 6.113 1.00 52.14 C ATOM 823 C GLN A 53 -9.079 -14.861 7.268 1.00 4.24 C ATOM 824 O GLN A 53 -9.774 -15.561 8.002 1.00 11.35 O ATOM 825 CB GLN A 53 -6.877 -15.751 6.570 1.00 14.34 C ATOM 826 CG GLN A 53 -6.524 -17.225 6.524 1.00 15.23 C ATOM 827 CD GLN A 53 -5.110 -17.434 7.059 1.00 34.12 C ATOM 828 OE1 GLN A 53 -4.821 -17.131 8.213 1.00 32.13 O ATOM 829 NE2 GLN A 53 -4.186 -17.977 6.292 1.00 51.24 N ATOM 0 H GLN A 53 -7.329 -14.671 4.520 1.00 55.34 H new ATOM 0 HA GLN A 53 -8.859 -16.424 5.854 1.00 52.14 H new ATOM 0 HB2 GLN A 53 -6.194 -15.191 5.932 1.00 14.34 H new ATOM 0 HB3 GLN A 53 -6.746 -15.375 7.585 1.00 14.34 H new ATOM 0 HG2 GLN A 53 -7.236 -17.798 7.118 1.00 15.23 H new ATOM 0 HG3 GLN A 53 -6.594 -17.593 5.501 1.00 15.23 H new ATOM 0 HE21 GLN A 53 -4.408 -18.235 5.331 1.00 51.24 H new ATOM 0 HE22 GLN A 53 -3.249 -18.139 6.660 1.00 51.24 H new ATOM 838 N ASP A 54 -8.860 -13.565 7.479 1.00 55.44 N ATOM 839 CA ASP A 54 -9.294 -12.869 8.684 1.00 24.33 C ATOM 840 C ASP A 54 -9.828 -11.472 8.344 1.00 60.15 C ATOM 841 O ASP A 54 -10.061 -10.669 9.245 1.00 31.15 O ATOM 842 CB ASP A 54 -8.131 -12.783 9.693 1.00 73.02 C ATOM 843 CG ASP A 54 -7.901 -14.078 10.471 1.00 13.21 C ATOM 844 OD1 ASP A 54 -8.782 -14.499 11.254 1.00 24.23 O ATOM 845 OD2 ASP A 54 -6.773 -14.624 10.396 1.00 10.03 O ATOM 0 H ASP A 54 -8.373 -12.966 6.813 1.00 55.44 H new ATOM 0 HA ASP A 54 -10.107 -13.434 9.139 1.00 24.33 H new ATOM 0 HB2 ASP A 54 -7.217 -12.522 9.160 1.00 73.02 H new ATOM 0 HB3 ASP A 54 -8.331 -11.976 10.398 1.00 73.02 H new ATOM 850 N TYR A 55 -9.987 -11.152 7.052 1.00 3.12 N ATOM 851 CA TYR A 55 -10.284 -9.815 6.548 1.00 74.03 C ATOM 852 C TYR A 55 -11.692 -9.802 5.932 1.00 44.31 C ATOM 853 O TYR A 55 -11.834 -9.979 4.714 1.00 74.51 O ATOM 854 CB TYR A 55 -9.229 -9.345 5.535 1.00 54.25 C ATOM 855 CG TYR A 55 -7.984 -8.739 6.154 1.00 35.53 C ATOM 856 CD1 TYR A 55 -7.153 -9.502 6.996 1.00 33.32 C ATOM 857 CD2 TYR A 55 -7.673 -7.387 5.916 1.00 71.31 C ATOM 858 CE1 TYR A 55 -6.028 -8.924 7.601 1.00 33.13 C ATOM 859 CE2 TYR A 55 -6.524 -6.820 6.480 1.00 52.43 C ATOM 860 CZ TYR A 55 -5.691 -7.582 7.320 1.00 24.30 C ATOM 861 OH TYR A 55 -4.576 -7.015 7.853 1.00 14.33 O ATOM 0 H TYR A 55 -9.908 -11.845 6.308 1.00 3.12 H new ATOM 0 HA TYR A 55 -10.254 -9.113 7.382 1.00 74.03 H new ATOM 0 HB2 TYR A 55 -8.935 -10.193 4.917 1.00 54.25 H new ATOM 0 HB3 TYR A 55 -9.684 -8.609 4.872 1.00 54.25 H new ATOM 0 HD1 TYR A 55 -7.384 -10.541 7.177 1.00 33.32 H new ATOM 0 HD2 TYR A 55 -8.322 -6.786 5.297 1.00 71.31 H new ATOM 0 HE1 TYR A 55 -5.421 -9.504 8.280 1.00 33.13 H new ATOM 0 HE2 TYR A 55 -6.275 -5.790 6.269 1.00 52.43 H new ATOM 0 HH TYR A 55 -3.928 -6.836 7.140 1.00 14.33 H new ATOM 871 N PRO A 56 -12.756 -9.603 6.723 1.00 4.21 N ATOM 872 CA PRO A 56 -14.059 -9.234 6.189 1.00 74.13 C ATOM 873 C PRO A 56 -14.044 -7.846 5.556 1.00 22.50 C ATOM 874 O PRO A 56 -14.798 -7.610 4.611 1.00 60.23 O ATOM 875 CB PRO A 56 -15.022 -9.271 7.373 1.00 32.01 C ATOM 876 CG PRO A 56 -14.125 -9.105 8.595 1.00 43.42 C ATOM 877 CD PRO A 56 -12.787 -9.697 8.171 1.00 61.25 C ATOM 0 HA PRO A 56 -14.357 -9.922 5.398 1.00 74.13 H new ATOM 0 HB2 PRO A 56 -15.760 -8.472 7.310 1.00 32.01 H new ATOM 0 HB3 PRO A 56 -15.572 -10.211 7.409 1.00 32.01 H new ATOM 0 HG2 PRO A 56 -14.024 -8.056 8.874 1.00 43.42 H new ATOM 0 HG3 PRO A 56 -14.533 -9.627 9.461 1.00 43.42 H new ATOM 0 HD2 PRO A 56 -11.957 -9.148 8.617 1.00 61.25 H new ATOM 0 HD3 PRO A 56 -12.696 -10.733 8.498 1.00 61.25 H new ATOM 885 N GLU A 57 -13.176 -6.956 6.034 1.00 74.34 N ATOM 886 CA GLU A 57 -13.093 -5.566 5.612 1.00 74.10 C ATOM 887 C GLU A 57 -11.661 -5.235 5.205 1.00 24.51 C ATOM 888 O GLU A 57 -10.725 -5.939 5.607 1.00 24.21 O ATOM 889 CB GLU A 57 -13.573 -4.657 6.756 1.00 62.11 C ATOM 890 CG GLU A 57 -15.100 -4.671 6.819 1.00 13.24 C ATOM 891 CD GLU A 57 -15.721 -3.696 7.824 1.00 1.31 C ATOM 892 OE1 GLU A 57 -15.007 -3.109 8.674 1.00 65.03 O ATOM 893 OE2 GLU A 57 -16.974 -3.626 7.822 1.00 41.54 O ATOM 0 H GLU A 57 -12.490 -7.195 6.750 1.00 74.34 H new ATOM 0 HA GLU A 57 -13.735 -5.400 4.747 1.00 74.10 H new ATOM 0 HB2 GLU A 57 -13.157 -4.999 7.704 1.00 62.11 H new ATOM 0 HB3 GLU A 57 -13.215 -3.639 6.599 1.00 62.11 H new ATOM 0 HG2 GLU A 57 -15.491 -4.443 5.827 1.00 13.24 H new ATOM 0 HG3 GLU A 57 -15.428 -5.681 7.066 1.00 13.24 H new ATOM 900 N PRO A 58 -11.464 -4.162 4.428 1.00 34.32 N ATOM 901 CA PRO A 58 -10.149 -3.759 3.994 1.00 32.15 C ATOM 902 C PRO A 58 -9.348 -3.156 5.157 1.00 53.34 C ATOM 903 O PRO A 58 -9.915 -2.767 6.186 1.00 62.31 O ATOM 904 CB PRO A 58 -10.400 -2.741 2.890 1.00 22.54 C ATOM 905 CG PRO A 58 -11.699 -2.077 3.318 1.00 4.12 C ATOM 906 CD PRO A 58 -12.464 -3.289 3.836 1.00 14.25 C ATOM 0 HA PRO A 58 -9.553 -4.599 3.636 1.00 32.15 H new ATOM 0 HB2 PRO A 58 -9.586 -2.021 2.814 1.00 22.54 H new ATOM 0 HB3 PRO A 58 -10.494 -3.219 1.915 1.00 22.54 H new ATOM 0 HG2 PRO A 58 -11.546 -1.322 4.089 1.00 4.12 H new ATOM 0 HG3 PRO A 58 -12.209 -1.587 2.488 1.00 4.12 H new ATOM 0 HD2 PRO A 58 -13.212 -2.995 4.572 1.00 14.25 H new ATOM 0 HD3 PRO A 58 -12.994 -3.792 3.027 1.00 14.25 H new ATOM 914 N PRO A 59 -8.021 -3.071 4.996 1.00 62.23 N ATOM 915 CA PRO A 59 -7.149 -2.436 5.962 1.00 34.44 C ATOM 916 C PRO A 59 -7.276 -0.910 5.937 1.00 52.10 C ATOM 917 O PRO A 59 -6.783 -0.253 5.017 1.00 20.34 O ATOM 918 CB PRO A 59 -5.750 -2.907 5.590 1.00 3.21 C ATOM 919 CG PRO A 59 -5.818 -3.271 4.111 1.00 5.13 C ATOM 920 CD PRO A 59 -7.257 -3.727 3.940 1.00 11.13 C ATOM 0 HA PRO A 59 -7.407 -2.710 6.985 1.00 34.44 H new ATOM 0 HB2 PRO A 59 -5.013 -2.124 5.767 1.00 3.21 H new ATOM 0 HB3 PRO A 59 -5.453 -3.766 6.192 1.00 3.21 H new ATOM 0 HG2 PRO A 59 -5.586 -2.418 3.474 1.00 5.13 H new ATOM 0 HG3 PRO A 59 -5.111 -4.060 3.856 1.00 5.13 H new ATOM 0 HD2 PRO A 59 -7.638 -3.453 2.956 1.00 11.13 H new ATOM 0 HD3 PRO A 59 -7.334 -4.811 4.020 1.00 11.13 H new ATOM 928 N ASP A 60 -7.858 -0.350 6.994 1.00 54.14 N ATOM 929 CA ASP A 60 -7.809 1.074 7.314 1.00 0.51 C ATOM 930 C ASP A 60 -6.418 1.393 7.864 1.00 73.45 C ATOM 931 O ASP A 60 -6.144 1.150 9.045 1.00 43.23 O ATOM 932 CB ASP A 60 -8.873 1.475 8.354 1.00 62.40 C ATOM 933 CG ASP A 60 -9.030 2.997 8.402 1.00 11.21 C ATOM 934 OD1 ASP A 60 -8.027 3.723 8.226 1.00 42.11 O ATOM 935 OD2 ASP A 60 -10.167 3.460 8.657 1.00 51.32 O ATOM 0 H ASP A 60 -8.393 -0.891 7.673 1.00 54.14 H new ATOM 0 HA ASP A 60 -8.016 1.639 6.405 1.00 0.51 H new ATOM 0 HB2 ASP A 60 -9.828 1.013 8.103 1.00 62.40 H new ATOM 0 HB3 ASP A 60 -8.587 1.102 9.337 1.00 62.40 H new ATOM 940 N PHE A 61 -5.499 1.858 7.019 1.00 33.14 N ATOM 941 CA PHE A 61 -4.159 2.229 7.466 1.00 0.15 C ATOM 942 C PHE A 61 -4.127 3.585 8.184 1.00 20.11 C ATOM 943 O PHE A 61 -3.044 4.008 8.596 1.00 33.45 O ATOM 944 CB PHE A 61 -3.194 2.246 6.277 1.00 20.23 C ATOM 945 CG PHE A 61 -3.013 0.916 5.578 1.00 63.33 C ATOM 946 CD1 PHE A 61 -2.018 0.021 6.014 1.00 2.43 C ATOM 947 CD2 PHE A 61 -3.798 0.593 4.458 1.00 61.44 C ATOM 948 CE1 PHE A 61 -1.832 -1.204 5.354 1.00 4.14 C ATOM 949 CE2 PHE A 61 -3.579 -0.610 3.770 1.00 41.43 C ATOM 950 CZ PHE A 61 -2.612 -1.518 4.229 1.00 21.34 C ATOM 0 H PHE A 61 -5.659 1.987 6.020 1.00 33.14 H new ATOM 0 HA PHE A 61 -3.846 1.476 8.189 1.00 0.15 H new ATOM 0 HB2 PHE A 61 -3.551 2.975 5.550 1.00 20.23 H new ATOM 0 HB3 PHE A 61 -2.220 2.592 6.624 1.00 20.23 H new ATOM 0 HD1 PHE A 61 -1.396 0.277 6.859 1.00 2.43 H new ATOM 0 HD2 PHE A 61 -4.570 1.271 4.127 1.00 61.44 H new ATOM 0 HE1 PHE A 61 -1.091 -1.904 5.711 1.00 4.14 H new ATOM 0 HE2 PHE A 61 -4.156 -0.838 2.886 1.00 41.43 H new ATOM 0 HZ PHE A 61 -2.468 -2.458 3.717 1.00 21.34 H new ATOM 960 N ILE A 62 -5.258 4.287 8.311 1.00 3.11 N ATOM 961 CA ILE A 62 -5.341 5.661 8.791 1.00 12.35 C ATOM 962 C ILE A 62 -5.802 5.627 10.248 1.00 55.11 C ATOM 963 O ILE A 62 -5.129 6.146 11.140 1.00 61.14 O ATOM 964 CB ILE A 62 -6.265 6.522 7.886 1.00 4.43 C ATOM 965 CG1 ILE A 62 -6.203 6.186 6.382 1.00 22.20 C ATOM 966 CG2 ILE A 62 -5.977 8.012 8.113 1.00 42.33 C ATOM 967 CD1 ILE A 62 -4.855 6.376 5.701 1.00 34.24 C ATOM 0 H ILE A 62 -6.170 3.896 8.073 1.00 3.11 H new ATOM 0 HA ILE A 62 -4.363 6.140 8.743 1.00 12.35 H new ATOM 0 HB ILE A 62 -7.283 6.276 8.189 1.00 4.43 H new ATOM 0 HG12 ILE A 62 -6.509 5.148 6.251 1.00 22.20 H new ATOM 0 HG13 ILE A 62 -6.938 6.802 5.864 1.00 22.20 H new ATOM 0 HG21 ILE A 62 -6.628 8.610 7.475 1.00 42.33 H new ATOM 0 HG22 ILE A 62 -6.162 8.263 9.157 1.00 42.33 H new ATOM 0 HG23 ILE A 62 -4.936 8.223 7.868 1.00 42.33 H new ATOM 0 HD11 ILE A 62 -4.938 6.108 4.648 1.00 34.24 H new ATOM 0 HD12 ILE A 62 -4.548 7.418 5.787 1.00 34.24 H new ATOM 0 HD13 ILE A 62 -4.112 5.738 6.180 1.00 34.24 H new ATOM 979 N ALA A 63 -6.931 4.973 10.508 1.00 74.43 N ATOM 980 CA ALA A 63 -7.478 4.798 11.843 1.00 12.32 C ATOM 981 C ALA A 63 -6.767 3.702 12.645 1.00 51.10 C ATOM 982 O ALA A 63 -7.022 3.578 13.841 1.00 12.32 O ATOM 983 CB ALA A 63 -8.960 4.452 11.712 1.00 73.02 C ATOM 0 H ALA A 63 -7.500 4.543 9.779 1.00 74.43 H new ATOM 0 HA ALA A 63 -7.330 5.730 12.389 1.00 12.32 H new ATOM 0 HB1 ALA A 63 -9.391 4.316 12.704 1.00 73.02 H new ATOM 0 HB2 ALA A 63 -9.479 5.262 11.199 1.00 73.02 H new ATOM 0 HB3 ALA A 63 -9.069 3.531 11.140 1.00 73.02 H new ATOM 989 N SER A 64 -5.927 2.881 12.010 1.00 23.21 N ATOM 990 CA SER A 64 -5.479 1.618 12.579 1.00 55.44 C ATOM 991 C SER A 64 -4.025 1.320 12.190 1.00 13.24 C ATOM 992 O SER A 64 -3.462 1.982 11.307 1.00 72.10 O ATOM 993 CB SER A 64 -6.470 0.545 12.105 1.00 40.35 C ATOM 994 OG SER A 64 -6.900 -0.267 13.175 1.00 71.41 O ATOM 0 H SER A 64 -5.541 3.078 11.087 1.00 23.21 H new ATOM 0 HA SER A 64 -5.473 1.647 13.669 1.00 55.44 H new ATOM 0 HB2 SER A 64 -7.332 1.024 11.640 1.00 40.35 H new ATOM 0 HB3 SER A 64 -6.000 -0.075 11.342 1.00 40.35 H new ATOM 0 HG SER A 64 -7.531 -0.939 12.843 1.00 71.41 H new ATOM 1000 N ARG A 65 -3.396 0.310 12.819 1.00 52.51 N ATOM 1001 CA ARG A 65 -2.149 -0.255 12.300 1.00 23.12 C ATOM 1002 C ARG A 65 -2.077 -1.794 12.401 1.00 54.41 C ATOM 1003 O ARG A 65 -1.015 -2.326 12.710 1.00 71.24 O ATOM 1004 CB ARG A 65 -0.965 0.440 13.025 1.00 15.22 C ATOM 1005 CG ARG A 65 -0.874 0.324 14.566 1.00 11.22 C ATOM 1006 CD ARG A 65 -0.126 -0.926 15.050 1.00 73.14 C ATOM 1007 NE ARG A 65 0.261 -0.852 16.466 1.00 51.22 N ATOM 1008 CZ ARG A 65 1.298 -1.497 17.018 1.00 3.31 C ATOM 1009 NH1 ARG A 65 2.182 -2.155 16.274 1.00 61.34 N ATOM 1010 NH2 ARG A 65 1.455 -1.474 18.334 1.00 60.35 N ATOM 0 H ARG A 65 -3.731 -0.124 13.679 1.00 52.51 H new ATOM 0 HA ARG A 65 -2.098 -0.058 11.229 1.00 23.12 H new ATOM 0 HB2 ARG A 65 -0.040 0.042 12.607 1.00 15.22 H new ATOM 0 HB3 ARG A 65 -0.998 1.500 12.773 1.00 15.22 H new ATOM 0 HG2 ARG A 65 -0.375 1.210 14.959 1.00 11.22 H new ATOM 0 HG3 ARG A 65 -1.882 0.316 14.981 1.00 11.22 H new ATOM 0 HD2 ARG A 65 -0.756 -1.802 14.897 1.00 73.14 H new ATOM 0 HD3 ARG A 65 0.768 -1.066 14.442 1.00 73.14 H new ATOM 0 HE ARG A 65 -0.305 -0.263 17.077 1.00 51.22 H new ATOM 0 HH11 ARG A 65 2.079 -2.177 15.259 1.00 61.34 H new ATOM 0 HH12 ARG A 65 2.963 -2.638 16.718 1.00 61.34 H new ATOM 0 HH21 ARG A 65 0.789 -0.968 18.918 1.00 60.35 H new ATOM 0 HH22 ARG A 65 2.241 -1.962 18.762 1.00 60.35 H new ATOM 1024 N PRO A 66 -3.077 -2.563 11.936 1.00 2.13 N ATOM 1025 CA PRO A 66 -3.022 -4.017 12.010 1.00 12.32 C ATOM 1026 C PRO A 66 -2.243 -4.561 10.813 1.00 25.22 C ATOM 1027 O PRO A 66 -1.257 -5.291 10.955 1.00 12.25 O ATOM 1028 CB PRO A 66 -4.492 -4.449 12.022 1.00 62.50 C ATOM 1029 CG PRO A 66 -5.200 -3.384 11.189 1.00 50.21 C ATOM 1030 CD PRO A 66 -4.407 -2.133 11.538 1.00 73.41 C ATOM 0 HA PRO A 66 -2.503 -4.400 12.889 1.00 12.32 H new ATOM 0 HB2 PRO A 66 -4.619 -5.442 11.591 1.00 62.50 H new ATOM 0 HB3 PRO A 66 -4.887 -4.489 13.037 1.00 62.50 H new ATOM 0 HG2 PRO A 66 -5.162 -3.607 10.123 1.00 50.21 H new ATOM 0 HG3 PRO A 66 -6.252 -3.289 11.457 1.00 50.21 H new ATOM 0 HD2 PRO A 66 -4.354 -1.460 10.682 1.00 73.41 H new ATOM 0 HD3 PRO A 66 -4.891 -1.584 12.345 1.00 73.41 H new ATOM 1038 N ALA A 67 -2.666 -4.161 9.614 1.00 62.53 N ATOM 1039 CA ALA A 67 -2.152 -4.677 8.359 1.00 51.21 C ATOM 1040 C ALA A 67 -0.701 -4.286 8.144 1.00 71.11 C ATOM 1041 O ALA A 67 -0.020 -4.948 7.378 1.00 3.31 O ATOM 1042 CB ALA A 67 -3.003 -4.156 7.213 1.00 13.44 C ATOM 0 H ALA A 67 -3.391 -3.454 9.493 1.00 62.53 H new ATOM 0 HA ALA A 67 -2.199 -5.765 8.394 1.00 51.21 H new ATOM 0 HB1 ALA A 67 -2.618 -4.543 6.269 1.00 13.44 H new ATOM 0 HB2 ALA A 67 -4.034 -4.484 7.347 1.00 13.44 H new ATOM 0 HB3 ALA A 67 -2.968 -3.067 7.200 1.00 13.44 H new ATOM 1048 N THR A 68 -0.207 -3.264 8.837 1.00 21.24 N ATOM 1049 CA THR A 68 1.190 -2.865 8.848 1.00 43.32 C ATOM 1050 C THR A 68 2.108 -4.072 9.140 1.00 4.53 C ATOM 1051 O THR A 68 3.106 -4.256 8.441 1.00 72.44 O ATOM 1052 CB THR A 68 1.314 -1.697 9.841 1.00 51.52 C ATOM 1053 OG1 THR A 68 0.524 -0.610 9.386 1.00 12.14 O ATOM 1054 CG2 THR A 68 2.737 -1.177 9.976 1.00 51.23 C ATOM 0 H THR A 68 -0.793 -2.672 9.426 1.00 21.24 H new ATOM 0 HA THR A 68 1.528 -2.515 7.873 1.00 43.32 H new ATOM 0 HB THR A 68 0.986 -2.081 10.807 1.00 51.52 H new ATOM 0 HG1 THR A 68 0.599 0.136 10.017 1.00 12.14 H new ATOM 0 HG21 THR A 68 2.757 -0.354 10.691 1.00 51.23 H new ATOM 0 HG22 THR A 68 3.386 -1.979 10.328 1.00 51.23 H new ATOM 0 HG23 THR A 68 3.089 -0.824 9.007 1.00 51.23 H new ATOM 1062 N VAL A 69 1.745 -4.959 10.075 1.00 53.03 N ATOM 1063 CA VAL A 69 2.506 -6.180 10.353 1.00 44.52 C ATOM 1064 C VAL A 69 2.489 -7.094 9.122 1.00 52.44 C ATOM 1065 O VAL A 69 3.514 -7.651 8.722 1.00 34.44 O ATOM 1066 CB VAL A 69 1.898 -6.909 11.573 1.00 64.23 C ATOM 1067 CG1 VAL A 69 2.710 -8.163 11.950 1.00 40.34 C ATOM 1068 CG2 VAL A 69 1.797 -5.988 12.802 1.00 54.14 C ATOM 0 H VAL A 69 0.916 -4.849 10.659 1.00 53.03 H new ATOM 0 HA VAL A 69 3.539 -5.918 10.580 1.00 44.52 H new ATOM 0 HB VAL A 69 0.894 -7.210 11.275 1.00 64.23 H new ATOM 0 HG11 VAL A 69 2.251 -8.648 12.812 1.00 40.34 H new ATOM 0 HG12 VAL A 69 2.722 -8.855 11.108 1.00 40.34 H new ATOM 0 HG13 VAL A 69 3.732 -7.874 12.197 1.00 40.34 H new ATOM 0 HG21 VAL A 69 1.365 -6.541 13.636 1.00 54.14 H new ATOM 0 HG22 VAL A 69 2.792 -5.637 13.076 1.00 54.14 H new ATOM 0 HG23 VAL A 69 1.163 -5.134 12.565 1.00 54.14 H new ATOM 1078 N LYS A 70 1.305 -7.266 8.538 1.00 33.43 N ATOM 1079 CA LYS A 70 1.012 -8.197 7.456 1.00 15.32 C ATOM 1080 C LYS A 70 1.674 -7.740 6.145 1.00 4.14 C ATOM 1081 O LYS A 70 2.140 -8.564 5.361 1.00 71.15 O ATOM 1082 CB LYS A 70 -0.524 -8.301 7.396 1.00 54.32 C ATOM 1083 CG LYS A 70 -1.054 -9.642 6.876 1.00 13.52 C ATOM 1084 CD LYS A 70 -2.578 -9.703 7.098 1.00 61.42 C ATOM 1085 CE LYS A 70 -3.234 -11.011 6.648 1.00 31.41 C ATOM 1086 NZ LYS A 70 -3.066 -12.131 7.605 1.00 14.23 N ATOM 0 H LYS A 70 0.484 -6.732 8.823 1.00 33.43 H new ATOM 0 HA LYS A 70 1.430 -9.189 7.626 1.00 15.32 H new ATOM 0 HB2 LYS A 70 -0.926 -8.129 8.395 1.00 54.32 H new ATOM 0 HB3 LYS A 70 -0.904 -7.503 6.758 1.00 54.32 H new ATOM 0 HG2 LYS A 70 -0.824 -9.752 5.816 1.00 13.52 H new ATOM 0 HG3 LYS A 70 -0.565 -10.466 7.395 1.00 13.52 H new ATOM 0 HD2 LYS A 70 -2.784 -9.554 8.158 1.00 61.42 H new ATOM 0 HD3 LYS A 70 -3.044 -8.875 6.563 1.00 61.42 H new ATOM 0 HE2 LYS A 70 -4.299 -10.837 6.492 1.00 31.41 H new ATOM 0 HE3 LYS A 70 -2.815 -11.303 5.685 1.00 31.41 H new ATOM 0 HZ1 LYS A 70 -3.320 -13.026 7.140 1.00 14.23 H new ATOM 0 HZ2 LYS A 70 -2.076 -12.173 7.920 1.00 14.23 H new ATOM 0 HZ3 LYS A 70 -3.684 -11.981 8.428 1.00 14.23 H new ATOM 1100 N LEU A 71 1.807 -6.428 5.955 1.00 63.40 N ATOM 1101 CA LEU A 71 2.604 -5.757 4.932 1.00 42.03 C ATOM 1102 C LEU A 71 4.066 -6.163 5.047 1.00 32.12 C ATOM 1103 O LEU A 71 4.672 -6.500 4.037 1.00 4.02 O ATOM 1104 CB LEU A 71 2.488 -4.225 5.088 1.00 73.24 C ATOM 1105 CG LEU A 71 1.651 -3.541 4.001 1.00 22.50 C ATOM 1106 CD1 LEU A 71 0.205 -4.009 4.057 1.00 24.05 C ATOM 1107 CD2 LEU A 71 1.671 -2.020 4.176 1.00 24.54 C ATOM 0 H LEU A 71 1.325 -5.759 6.556 1.00 63.40 H new ATOM 0 HA LEU A 71 2.225 -6.053 3.954 1.00 42.03 H new ATOM 0 HB2 LEU A 71 2.050 -4.003 6.061 1.00 73.24 H new ATOM 0 HB3 LEU A 71 3.489 -3.794 5.084 1.00 73.24 H new ATOM 0 HG LEU A 71 2.089 -3.809 3.039 1.00 22.50 H new ATOM 0 HD11 LEU A 71 -0.369 -3.510 3.276 1.00 24.05 H new ATOM 0 HD12 LEU A 71 0.165 -5.087 3.904 1.00 24.05 H new ATOM 0 HD13 LEU A 71 -0.219 -3.765 5.031 1.00 24.05 H new ATOM 0 HD21 LEU A 71 1.071 -1.556 3.394 1.00 24.54 H new ATOM 0 HD22 LEU A 71 1.259 -1.761 5.151 1.00 24.54 H new ATOM 0 HD23 LEU A 71 2.697 -1.659 4.108 1.00 24.54 H new ATOM 1119 N THR A 72 4.645 -6.131 6.251 1.00 23.01 N ATOM 1120 CA THR A 72 6.053 -6.443 6.478 1.00 62.43 C ATOM 1121 C THR A 72 6.377 -7.877 6.052 1.00 33.34 C ATOM 1122 O THR A 72 7.483 -8.163 5.589 1.00 14.50 O ATOM 1123 CB THR A 72 6.362 -6.205 7.961 1.00 45.24 C ATOM 1124 OG1 THR A 72 6.091 -4.859 8.277 1.00 44.21 O ATOM 1125 CG2 THR A 72 7.793 -6.563 8.338 1.00 52.52 C ATOM 0 H THR A 72 4.141 -5.885 7.103 1.00 23.01 H new ATOM 0 HA THR A 72 6.683 -5.794 5.869 1.00 62.43 H new ATOM 0 HB THR A 72 5.721 -6.868 8.542 1.00 45.24 H new ATOM 0 HG1 THR A 72 5.123 -4.731 8.362 1.00 44.21 H new ATOM 0 HG21 THR A 72 7.948 -6.372 9.400 1.00 52.52 H new ATOM 0 HG22 THR A 72 7.971 -7.618 8.129 1.00 52.52 H new ATOM 0 HG23 THR A 72 8.486 -5.956 7.755 1.00 52.52 H new ATOM 1133 N ARG A 73 5.402 -8.781 6.168 1.00 45.42 N ATOM 1134 CA ARG A 73 5.533 -10.146 5.673 1.00 44.41 C ATOM 1135 C ARG A 73 5.838 -10.183 4.166 1.00 54.45 C ATOM 1136 O ARG A 73 6.463 -11.135 3.712 1.00 63.22 O ATOM 1137 CB ARG A 73 4.270 -10.964 5.924 1.00 13.22 C ATOM 1138 CG ARG A 73 3.692 -10.955 7.342 1.00 24.43 C ATOM 1139 CD ARG A 73 4.267 -11.983 8.315 1.00 43.24 C ATOM 1140 NE ARG A 73 5.587 -11.619 8.853 1.00 74.13 N ATOM 1141 CZ ARG A 73 6.535 -12.488 9.224 1.00 12.04 C ATOM 1142 NH1 ARG A 73 6.545 -13.742 8.779 1.00 45.34 N ATOM 1143 NH2 ARG A 73 7.474 -12.084 10.065 1.00 3.42 N ATOM 0 H ARG A 73 4.503 -8.585 6.607 1.00 45.42 H new ATOM 0 HA ARG A 73 6.366 -10.582 6.224 1.00 44.41 H new ATOM 0 HB2 ARG A 73 3.497 -10.607 5.243 1.00 13.22 H new ATOM 0 HB3 ARG A 73 4.480 -11.999 5.653 1.00 13.22 H new ATOM 0 HG2 ARG A 73 3.842 -9.962 7.766 1.00 24.43 H new ATOM 0 HG3 ARG A 73 2.616 -11.114 7.274 1.00 24.43 H new ATOM 0 HD2 ARG A 73 3.571 -12.114 9.144 1.00 43.24 H new ATOM 0 HD3 ARG A 73 4.344 -12.945 7.809 1.00 43.24 H new ATOM 0 HE ARG A 73 5.796 -10.626 8.951 1.00 74.13 H new ATOM 0 HH11 ARG A 73 5.818 -14.062 8.139 1.00 45.34 H new ATOM 0 HH12 ARG A 73 7.280 -14.383 9.078 1.00 45.34 H new ATOM 0 HH21 ARG A 73 7.466 -11.127 10.417 1.00 3.42 H new ATOM 0 HH22 ARG A 73 8.206 -12.730 10.361 1.00 3.42 H new ATOM 1157 N SER A 74 5.396 -9.178 3.408 1.00 62.22 N ATOM 1158 CA SER A 74 5.642 -8.967 1.978 1.00 15.04 C ATOM 1159 C SER A 74 6.641 -7.825 1.721 1.00 30.53 C ATOM 1160 O SER A 74 6.680 -7.252 0.634 1.00 54.44 O ATOM 1161 CB SER A 74 4.306 -8.716 1.266 1.00 15.41 C ATOM 1162 OG SER A 74 3.597 -9.931 1.152 1.00 21.10 O ATOM 0 H SER A 74 4.816 -8.438 3.804 1.00 62.22 H new ATOM 0 HA SER A 74 6.102 -9.867 1.571 1.00 15.04 H new ATOM 0 HB2 SER A 74 3.716 -7.989 1.824 1.00 15.41 H new ATOM 0 HB3 SER A 74 4.483 -8.292 0.278 1.00 15.41 H new ATOM 0 HG SER A 74 2.743 -9.770 0.699 1.00 21.10 H new ATOM 1168 N ILE A 75 7.454 -7.454 2.714 1.00 53.02 N ATOM 1169 CA ILE A 75 8.591 -6.559 2.535 1.00 22.41 C ATOM 1170 C ILE A 75 9.811 -7.346 3.040 1.00 10.32 C ATOM 1171 O ILE A 75 10.209 -7.183 4.197 1.00 13.10 O ATOM 1172 CB ILE A 75 8.340 -5.201 3.222 1.00 20.35 C ATOM 1173 CG1 ILE A 75 7.095 -4.490 2.643 1.00 74.45 C ATOM 1174 CG2 ILE A 75 9.551 -4.271 3.025 1.00 74.12 C ATOM 1175 CD1 ILE A 75 6.545 -3.467 3.630 1.00 44.14 C ATOM 0 H ILE A 75 7.336 -7.773 3.676 1.00 53.02 H new ATOM 0 HA ILE A 75 8.763 -6.275 1.497 1.00 22.41 H new ATOM 0 HB ILE A 75 8.179 -5.406 4.280 1.00 20.35 H new ATOM 0 HG12 ILE A 75 7.356 -3.995 1.708 1.00 74.45 H new ATOM 0 HG13 ILE A 75 6.326 -5.227 2.410 1.00 74.45 H new ATOM 0 HG21 ILE A 75 9.360 -3.316 3.515 1.00 74.12 H new ATOM 0 HG22 ILE A 75 10.438 -4.731 3.460 1.00 74.12 H new ATOM 0 HG23 ILE A 75 9.714 -4.106 1.960 1.00 74.12 H new ATOM 0 HD11 ILE A 75 5.670 -2.980 3.200 1.00 44.14 H new ATOM 0 HD12 ILE A 75 6.263 -3.969 4.555 1.00 44.14 H new ATOM 0 HD13 ILE A 75 7.309 -2.719 3.842 1.00 44.14 H new ATOM 1187 N PRO A 76 10.366 -8.253 2.218 1.00 10.34 N ATOM 1188 CA PRO A 76 11.462 -9.143 2.584 1.00 12.54 C ATOM 1189 C PRO A 76 12.770 -8.354 2.747 1.00 20.22 C ATOM 1190 O PRO A 76 12.824 -7.153 2.471 1.00 52.44 O ATOM 1191 CB PRO A 76 11.521 -10.154 1.431 1.00 25.11 C ATOM 1192 CG PRO A 76 11.120 -9.320 0.237 1.00 4.33 C ATOM 1193 CD PRO A 76 9.967 -8.525 0.848 1.00 25.54 C ATOM 0 HA PRO A 76 11.314 -9.640 3.543 1.00 12.54 H new ATOM 0 HB2 PRO A 76 12.519 -10.576 1.313 1.00 25.11 H new ATOM 0 HB3 PRO A 76 10.838 -10.989 1.589 1.00 25.11 H new ATOM 0 HG2 PRO A 76 11.928 -8.679 -0.115 1.00 4.33 H new ATOM 0 HG3 PRO A 76 10.804 -9.929 -0.610 1.00 4.33 H new ATOM 0 HD2 PRO A 76 9.794 -7.600 0.299 1.00 25.54 H new ATOM 0 HD3 PRO A 76 9.038 -9.094 0.815 1.00 25.54 H new ATOM 1201 N ALA A 77 13.845 -9.026 3.167 1.00 2.13 N ATOM 1202 CA ALA A 77 15.119 -8.391 3.497 1.00 3.21 C ATOM 1203 C ALA A 77 15.704 -7.559 2.341 1.00 24.33 C ATOM 1204 O ALA A 77 16.224 -6.477 2.611 1.00 62.22 O ATOM 1205 CB ALA A 77 16.117 -9.450 3.979 1.00 22.12 C ATOM 0 H ALA A 77 13.853 -10.039 3.288 1.00 2.13 H new ATOM 0 HA ALA A 77 14.926 -7.681 4.301 1.00 3.21 H new ATOM 0 HB1 ALA A 77 17.065 -8.972 4.224 1.00 22.12 H new ATOM 0 HB2 ALA A 77 15.721 -9.946 4.865 1.00 22.12 H new ATOM 0 HB3 ALA A 77 16.275 -10.186 3.191 1.00 22.12 H new ATOM 1211 N PRO A 78 15.646 -7.989 1.066 1.00 24.14 N ATOM 1212 CA PRO A 78 16.101 -7.163 -0.046 1.00 1.42 C ATOM 1213 C PRO A 78 15.204 -5.956 -0.340 1.00 41.53 C ATOM 1214 O PRO A 78 15.658 -5.058 -1.036 1.00 71.53 O ATOM 1215 CB PRO A 78 16.194 -8.101 -1.257 1.00 63.21 C ATOM 1216 CG PRO A 78 15.190 -9.196 -0.915 1.00 34.13 C ATOM 1217 CD PRO A 78 15.360 -9.331 0.584 1.00 32.43 C ATOM 0 HA PRO A 78 17.062 -6.715 0.205 1.00 1.42 H new ATOM 0 HB2 PRO A 78 15.935 -7.591 -2.185 1.00 63.21 H new ATOM 0 HB3 PRO A 78 17.200 -8.500 -1.383 1.00 63.21 H new ATOM 0 HG2 PRO A 78 14.172 -8.914 -1.185 1.00 34.13 H new ATOM 0 HG3 PRO A 78 15.411 -10.128 -1.435 1.00 34.13 H new ATOM 0 HD2 PRO A 78 14.457 -9.730 1.047 1.00 32.43 H new ATOM 0 HD3 PRO A 78 16.172 -10.016 0.827 1.00 32.43 H new ATOM 1225 N TYR A 79 13.969 -5.858 0.166 1.00 41.41 N ATOM 1226 CA TYR A 79 13.011 -4.856 -0.324 1.00 31.13 C ATOM 1227 C TYR A 79 12.697 -3.777 0.720 1.00 52.31 C ATOM 1228 O TYR A 79 11.733 -3.023 0.571 1.00 70.25 O ATOM 1229 CB TYR A 79 11.751 -5.543 -0.881 1.00 34.20 C ATOM 1230 CG TYR A 79 11.999 -6.498 -2.040 1.00 42.13 C ATOM 1231 CD1 TYR A 79 13.145 -6.351 -2.843 1.00 44.02 C ATOM 1232 CD2 TYR A 79 11.109 -7.554 -2.325 1.00 71.31 C ATOM 1233 CE1 TYR A 79 13.462 -7.279 -3.827 1.00 63.32 C ATOM 1234 CE2 TYR A 79 11.385 -8.462 -3.361 1.00 61.10 C ATOM 1235 CZ TYR A 79 12.589 -8.353 -4.088 1.00 23.42 C ATOM 1236 OH TYR A 79 12.941 -9.276 -5.014 1.00 65.01 O ATOM 0 H TYR A 79 13.610 -6.456 0.910 1.00 41.41 H new ATOM 0 HA TYR A 79 13.481 -4.320 -1.148 1.00 31.13 H new ATOM 0 HB2 TYR A 79 11.268 -6.093 -0.073 1.00 34.20 H new ATOM 0 HB3 TYR A 79 11.050 -4.774 -1.207 1.00 34.20 H new ATOM 0 HD1 TYR A 79 13.791 -5.499 -2.691 1.00 44.02 H new ATOM 0 HD2 TYR A 79 10.207 -7.666 -1.742 1.00 71.31 H new ATOM 0 HE1 TYR A 79 14.377 -7.177 -4.391 1.00 63.32 H new ATOM 0 HE2 TYR A 79 10.677 -9.242 -3.600 1.00 61.10 H new ATOM 0 HH TYR A 79 12.238 -9.956 -5.082 1.00 65.01 H new ATOM 1246 N LYS A 80 13.475 -3.685 1.803 1.00 62.44 N ATOM 1247 CA LYS A 80 13.195 -2.786 2.923 1.00 21.22 C ATOM 1248 C LYS A 80 13.203 -1.310 2.533 1.00 21.03 C ATOM 1249 O LYS A 80 12.481 -0.534 3.172 1.00 23.50 O ATOM 1250 CB LYS A 80 14.189 -3.028 4.078 1.00 51.55 C ATOM 1251 CG LYS A 80 14.167 -4.458 4.643 1.00 42.14 C ATOM 1252 CD LYS A 80 12.746 -4.898 5.012 1.00 24.11 C ATOM 1253 CE LYS A 80 12.681 -5.850 6.200 1.00 72.11 C ATOM 1254 NZ LYS A 80 12.419 -5.131 7.460 1.00 43.43 N ATOM 0 H LYS A 80 14.323 -4.238 1.926 1.00 62.44 H new ATOM 0 HA LYS A 80 12.183 -3.021 3.251 1.00 21.22 H new ATOM 0 HB2 LYS A 80 15.197 -2.804 3.728 1.00 51.55 H new ATOM 0 HB3 LYS A 80 13.969 -2.328 4.884 1.00 51.55 H new ATOM 0 HG2 LYS A 80 14.582 -5.147 3.907 1.00 42.14 H new ATOM 0 HG3 LYS A 80 14.805 -4.511 5.525 1.00 42.14 H new ATOM 0 HD2 LYS A 80 12.149 -4.014 5.235 1.00 24.11 H new ATOM 0 HD3 LYS A 80 12.290 -5.380 4.147 1.00 24.11 H new ATOM 0 HE2 LYS A 80 11.897 -6.588 6.032 1.00 72.11 H new ATOM 0 HE3 LYS A 80 13.621 -6.396 6.281 1.00 72.11 H new ATOM 0 HZ1 LYS A 80 12.382 -5.811 8.246 1.00 43.43 H new ATOM 0 HZ2 LYS A 80 13.180 -4.444 7.632 1.00 43.43 H new ATOM 0 HZ3 LYS A 80 11.510 -4.630 7.392 1.00 43.43 H new ATOM 1268 N GLN A 81 13.997 -0.912 1.539 1.00 24.11 N ATOM 1269 CA GLN A 81 14.216 0.487 1.186 1.00 51.11 C ATOM 1270 C GLN A 81 14.060 0.710 -0.319 1.00 63.32 C ATOM 1271 O GLN A 81 14.794 1.517 -0.894 1.00 13.14 O ATOM 1272 CB GLN A 81 15.594 0.960 1.694 1.00 34.44 C ATOM 1273 CG GLN A 81 15.851 0.670 3.179 1.00 64.03 C ATOM 1274 CD GLN A 81 17.057 1.454 3.698 1.00 44.33 C ATOM 1275 OE1 GLN A 81 16.940 2.294 4.587 1.00 53.21 O ATOM 1276 NE2 GLN A 81 18.234 1.252 3.133 1.00 54.52 N ATOM 0 H GLN A 81 14.513 -1.564 0.948 1.00 24.11 H new ATOM 0 HA GLN A 81 13.453 1.090 1.678 1.00 51.11 H new ATOM 0 HB2 GLN A 81 16.372 0.478 1.101 1.00 34.44 H new ATOM 0 HB3 GLN A 81 15.682 2.033 1.524 1.00 34.44 H new ATOM 0 HG2 GLN A 81 14.967 0.931 3.761 1.00 64.03 H new ATOM 0 HG3 GLN A 81 16.021 -0.398 3.319 1.00 64.03 H new ATOM 0 HE21 GLN A 81 18.332 0.555 2.395 1.00 54.52 H new ATOM 0 HE22 GLN A 81 19.044 1.793 3.435 1.00 54.52 H new ATOM 1285 N LEU A 82 13.117 0.021 -0.979 1.00 44.51 N ATOM 1286 CA LEU A 82 12.934 0.190 -2.424 1.00 5.43 C ATOM 1287 C LEU A 82 12.491 1.615 -2.760 1.00 10.31 C ATOM 1288 O LEU A 82 12.840 2.128 -3.817 1.00 75.00 O ATOM 1289 CB LEU A 82 11.977 -0.842 -3.035 1.00 0.05 C ATOM 1290 CG LEU A 82 12.473 -2.302 -3.057 1.00 60.44 C ATOM 1291 CD1 LEU A 82 11.573 -3.155 -3.963 1.00 62.11 C ATOM 1292 CD2 LEU A 82 13.919 -2.464 -3.534 1.00 23.13 C ATOM 0 H LEU A 82 12.481 -0.646 -0.543 1.00 44.51 H new ATOM 0 HA LEU A 82 13.909 0.012 -2.878 1.00 5.43 H new ATOM 0 HB2 LEU A 82 11.038 -0.808 -2.482 1.00 0.05 H new ATOM 0 HB3 LEU A 82 11.756 -0.540 -4.059 1.00 0.05 H new ATOM 0 HG LEU A 82 12.430 -2.636 -2.020 1.00 60.44 H new ATOM 0 HD11 LEU A 82 11.934 -4.183 -3.970 1.00 62.11 H new ATOM 0 HD12 LEU A 82 10.551 -3.132 -3.586 1.00 62.11 H new ATOM 0 HD13 LEU A 82 11.595 -2.756 -4.977 1.00 62.11 H new ATOM 0 HD21 LEU A 82 14.191 -3.520 -3.520 1.00 23.13 H new ATOM 0 HD22 LEU A 82 14.013 -2.078 -4.549 1.00 23.13 H new ATOM 0 HD23 LEU A 82 14.585 -1.909 -2.873 1.00 23.13 H new ATOM 1304 N LEU A 83 11.827 2.307 -1.830 1.00 32.31 N ATOM 1305 CA LEU A 83 11.561 3.740 -1.940 1.00 45.34 C ATOM 1306 C LEU A 83 12.813 4.559 -2.257 1.00 21.42 C ATOM 1307 O LEU A 83 12.712 5.573 -2.942 1.00 34.03 O ATOM 1308 CB LEU A 83 11.015 4.253 -0.608 1.00 54.14 C ATOM 1309 CG LEU A 83 9.504 4.084 -0.452 1.00 40.01 C ATOM 1310 CD1 LEU A 83 9.168 4.257 1.027 1.00 43.12 C ATOM 1311 CD2 LEU A 83 8.743 5.121 -1.283 1.00 11.25 C ATOM 0 H LEU A 83 11.458 1.886 -0.977 1.00 32.31 H new ATOM 0 HA LEU A 83 10.850 3.861 -2.757 1.00 45.34 H new ATOM 0 HB2 LEU A 83 11.515 3.727 0.205 1.00 54.14 H new ATOM 0 HB3 LEU A 83 11.265 5.309 -0.507 1.00 54.14 H new ATOM 0 HG LEU A 83 9.207 3.097 -0.807 1.00 40.01 H new ATOM 0 HD11 LEU A 83 8.094 4.142 1.172 1.00 43.12 H new ATOM 0 HD12 LEU A 83 9.696 3.503 1.611 1.00 43.12 H new ATOM 0 HD13 LEU A 83 9.474 5.250 1.356 1.00 43.12 H new ATOM 0 HD21 LEU A 83 7.671 4.976 -1.152 1.00 11.25 H new ATOM 0 HD22 LEU A 83 9.017 6.123 -0.953 1.00 11.25 H new ATOM 0 HD23 LEU A 83 8.999 5.003 -2.336 1.00 11.25 H new ATOM 1323 N LYS A 84 13.974 4.167 -1.734 1.00 21.13 N ATOM 1324 CA LYS A 84 15.208 4.909 -1.925 1.00 72.45 C ATOM 1325 C LYS A 84 16.057 4.246 -3.000 1.00 74.23 C ATOM 1326 O LYS A 84 16.651 4.959 -3.798 1.00 40.45 O ATOM 1327 CB LYS A 84 15.918 5.054 -0.576 1.00 43.20 C ATOM 1328 CG LYS A 84 17.155 5.966 -0.661 1.00 63.53 C ATOM 1329 CD LYS A 84 17.104 7.100 0.370 1.00 53.24 C ATOM 1330 CE LYS A 84 18.422 7.881 0.440 1.00 1.35 C ATOM 1331 NZ LYS A 84 19.508 7.136 1.118 1.00 12.34 N ATOM 0 H LYS A 84 14.080 3.326 -1.167 1.00 21.13 H new ATOM 0 HA LYS A 84 15.005 5.917 -2.287 1.00 72.45 H new ATOM 0 HB2 LYS A 84 15.221 5.459 0.157 1.00 43.20 H new ATOM 0 HB3 LYS A 84 16.219 4.069 -0.219 1.00 43.20 H new ATOM 0 HG2 LYS A 84 18.055 5.372 -0.502 1.00 63.53 H new ATOM 0 HG3 LYS A 84 17.225 6.390 -1.663 1.00 63.53 H new ATOM 0 HD2 LYS A 84 16.293 7.782 0.117 1.00 53.24 H new ATOM 0 HD3 LYS A 84 16.877 6.685 1.352 1.00 53.24 H new ATOM 0 HE2 LYS A 84 18.741 8.134 -0.571 1.00 1.35 H new ATOM 0 HE3 LYS A 84 18.252 8.821 0.965 1.00 1.35 H new ATOM 0 HZ1 LYS A 84 20.366 7.723 1.148 1.00 12.34 H new ATOM 0 HZ2 LYS A 84 19.215 6.901 2.088 1.00 12.34 H new ATOM 0 HZ3 LYS A 84 19.707 6.259 0.595 1.00 12.34 H new ATOM 1345 N GLU A 85 16.131 2.919 -3.037 1.00 23.12 N ATOM 1346 CA GLU A 85 16.896 2.165 -4.030 1.00 73.54 C ATOM 1347 C GLU A 85 16.415 2.491 -5.446 1.00 42.24 C ATOM 1348 O GLU A 85 17.240 2.724 -6.332 1.00 75.01 O ATOM 1349 CB GLU A 85 16.794 0.660 -3.723 1.00 62.02 C ATOM 1350 CG GLU A 85 17.563 0.305 -2.440 1.00 63.42 C ATOM 1351 CD GLU A 85 17.279 -1.085 -1.867 1.00 24.23 C ATOM 1352 OE1 GLU A 85 17.343 -2.109 -2.582 1.00 60.35 O ATOM 1353 OE2 GLU A 85 17.085 -1.162 -0.632 1.00 23.45 O ATOM 0 H GLU A 85 15.651 2.323 -2.363 1.00 23.12 H new ATOM 0 HA GLU A 85 17.945 2.454 -3.976 1.00 73.54 H new ATOM 0 HB2 GLU A 85 15.747 0.378 -3.613 1.00 62.02 H new ATOM 0 HB3 GLU A 85 17.192 0.087 -4.560 1.00 62.02 H new ATOM 0 HG2 GLU A 85 18.631 0.384 -2.643 1.00 63.42 H new ATOM 0 HG3 GLU A 85 17.328 1.048 -1.678 1.00 63.42 H new ATOM 1360 N GLU A 86 15.095 2.541 -5.646 1.00 44.11 N ATOM 1361 CA GLU A 86 14.492 2.854 -6.932 1.00 2.30 C ATOM 1362 C GLU A 86 14.401 4.380 -7.089 1.00 33.32 C ATOM 1363 O GLU A 86 15.062 4.952 -7.958 1.00 71.44 O ATOM 1364 CB GLU A 86 13.113 2.173 -7.071 1.00 23.44 C ATOM 1365 CG GLU A 86 13.091 0.666 -6.738 1.00 62.14 C ATOM 1366 CD GLU A 86 14.075 -0.168 -7.559 1.00 74.41 C ATOM 1367 OE1 GLU A 86 13.875 -0.309 -8.793 1.00 10.05 O ATOM 1368 OE2 GLU A 86 15.013 -0.735 -6.969 1.00 30.43 O ATOM 0 H GLU A 86 14.413 2.363 -4.908 1.00 44.11 H new ATOM 0 HA GLU A 86 15.116 2.463 -7.735 1.00 2.30 H new ATOM 0 HB2 GLU A 86 12.405 2.684 -6.418 1.00 23.44 H new ATOM 0 HB3 GLU A 86 12.759 2.309 -8.093 1.00 23.44 H new ATOM 0 HG2 GLU A 86 13.315 0.535 -5.679 1.00 62.14 H new ATOM 0 HG3 GLU A 86 12.083 0.283 -6.900 1.00 62.14 H new ATOM 1375 N LEU A 87 13.587 5.045 -6.256 1.00 24.24 N ATOM 1376 CA LEU A 87 13.130 6.418 -6.503 1.00 25.44 C ATOM 1377 C LEU A 87 14.024 7.484 -5.877 1.00 54.51 C ATOM 1378 O LEU A 87 13.893 8.653 -6.241 1.00 62.13 O ATOM 1379 CB LEU A 87 11.737 6.672 -5.903 1.00 34.33 C ATOM 1380 CG LEU A 87 10.644 5.629 -6.160 1.00 50.45 C ATOM 1381 CD1 LEU A 87 9.515 5.885 -5.159 1.00 45.05 C ATOM 1382 CD2 LEU A 87 10.165 5.699 -7.609 1.00 74.23 C ATOM 0 H LEU A 87 13.227 4.644 -5.390 1.00 24.24 H new ATOM 0 HA LEU A 87 13.140 6.498 -7.590 1.00 25.44 H new ATOM 0 HB2 LEU A 87 11.852 6.777 -4.824 1.00 34.33 H new ATOM 0 HB3 LEU A 87 11.380 7.630 -6.280 1.00 34.33 H new ATOM 0 HG LEU A 87 11.026 4.618 -6.017 1.00 50.45 H new ATOM 0 HD11 LEU A 87 8.718 5.158 -5.315 1.00 45.05 H new ATOM 0 HD12 LEU A 87 9.900 5.789 -4.144 1.00 45.05 H new ATOM 0 HD13 LEU A 87 9.121 6.891 -5.304 1.00 45.05 H new ATOM 0 HD21 LEU A 87 9.389 4.951 -7.772 1.00 74.23 H new ATOM 0 HD22 LEU A 87 9.761 6.691 -7.811 1.00 74.23 H new ATOM 0 HD23 LEU A 87 11.003 5.505 -8.279 1.00 74.23 H new ATOM 1394 N GLY A 88 14.841 7.125 -4.888 1.00 44.31 N ATOM 1395 CA GLY A 88 15.607 8.090 -4.116 1.00 53.24 C ATOM 1396 C GLY A 88 14.742 8.909 -3.150 1.00 3.41 C ATOM 1397 O GLY A 88 15.058 10.080 -2.924 1.00 60.34 O ATOM 0 H GLY A 88 14.987 6.157 -4.603 1.00 44.31 H new ATOM 0 HA2 GLY A 88 16.376 7.565 -3.550 1.00 53.24 H new ATOM 0 HA3 GLY A 88 16.120 8.767 -4.799 1.00 53.24 H new ATOM 1401 N PHE A 89 13.640 8.377 -2.601 1.00 43.23 N ATOM 1402 CA PHE A 89 12.899 9.037 -1.517 1.00 71.00 C ATOM 1403 C PHE A 89 13.385 8.541 -0.154 1.00 5.22 C ATOM 1404 O PHE A 89 13.555 7.335 0.025 1.00 14.14 O ATOM 1405 CB PHE A 89 11.403 8.730 -1.625 1.00 70.33 C ATOM 1406 CG PHE A 89 10.585 9.378 -0.520 1.00 42.34 C ATOM 1407 CD1 PHE A 89 10.264 10.746 -0.591 1.00 63.34 C ATOM 1408 CD2 PHE A 89 10.230 8.644 0.629 1.00 42.20 C ATOM 1409 CE1 PHE A 89 9.572 11.365 0.462 1.00 64.33 C ATOM 1410 CE2 PHE A 89 9.542 9.268 1.686 1.00 23.14 C ATOM 1411 CZ PHE A 89 9.192 10.625 1.593 1.00 60.20 C ATOM 0 H PHE A 89 13.240 7.485 -2.893 1.00 43.23 H new ATOM 0 HA PHE A 89 13.070 10.110 -1.608 1.00 71.00 H new ATOM 0 HB2 PHE A 89 11.035 9.074 -2.592 1.00 70.33 H new ATOM 0 HB3 PHE A 89 11.256 7.650 -1.594 1.00 70.33 H new ATOM 0 HD1 PHE A 89 10.551 11.322 -1.458 1.00 63.34 H new ATOM 0 HD2 PHE A 89 10.487 7.597 0.699 1.00 42.20 H new ATOM 0 HE1 PHE A 89 9.331 12.416 0.402 1.00 64.33 H new ATOM 0 HE2 PHE A 89 9.283 8.703 2.569 1.00 23.14 H new ATOM 0 HZ PHE A 89 8.633 11.097 2.388 1.00 60.20 H new ATOM 1567 N ARG A 100 -0.656 11.672 8.616 1.00 34.40 N ATOM 1568 CA ARG A 100 -1.268 11.141 7.389 1.00 55.12 C ATOM 1569 C ARG A 100 -0.192 10.835 6.341 1.00 64.34 C ATOM 1570 O ARG A 100 -0.265 9.850 5.616 1.00 1.20 O ATOM 1571 CB ARG A 100 -2.299 12.162 6.884 1.00 24.41 C ATOM 1572 CG ARG A 100 -3.509 12.224 7.838 1.00 1.33 C ATOM 1573 CD ARG A 100 -4.205 13.587 7.846 1.00 50.35 C ATOM 1574 NE ARG A 100 -5.399 13.624 7.001 1.00 75.42 N ATOM 1575 CZ ARG A 100 -6.424 14.467 7.157 1.00 72.21 C ATOM 1576 NH1 ARG A 100 -6.310 15.528 7.955 1.00 51.20 N ATOM 1577 NH2 ARG A 100 -7.558 14.209 6.523 1.00 75.43 N ATOM 0 HA ARG A 100 -1.778 10.199 7.592 1.00 55.12 H new ATOM 0 HB2 ARG A 100 -1.838 13.147 6.808 1.00 24.41 H new ATOM 0 HB3 ARG A 100 -2.631 11.887 5.883 1.00 24.41 H new ATOM 0 HG2 ARG A 100 -4.229 11.458 7.550 1.00 1.33 H new ATOM 0 HG3 ARG A 100 -3.178 11.987 8.849 1.00 1.33 H new ATOM 0 HD2 ARG A 100 -4.483 13.841 8.869 1.00 50.35 H new ATOM 0 HD3 ARG A 100 -3.503 14.349 7.507 1.00 50.35 H new ATOM 0 HE ARG A 100 -5.453 12.954 6.233 1.00 75.42 H new ATOM 0 HH11 ARG A 100 -5.436 15.701 8.452 1.00 51.20 H new ATOM 0 HH12 ARG A 100 -7.097 16.167 8.069 1.00 51.20 H new ATOM 0 HH21 ARG A 100 -7.635 13.382 5.931 1.00 75.43 H new ATOM 0 HH22 ARG A 100 -8.355 14.838 6.626 1.00 75.43 H new ATOM 1591 N LYS A 101 0.855 11.654 6.270 1.00 12.14 N ATOM 1592 CA LYS A 101 1.933 11.478 5.311 1.00 55.53 C ATOM 1593 C LYS A 101 2.848 10.351 5.769 1.00 54.53 C ATOM 1594 O LYS A 101 3.153 9.475 4.959 1.00 3.24 O ATOM 1595 CB LYS A 101 2.638 12.829 5.090 1.00 41.32 C ATOM 1596 CG LYS A 101 1.841 13.694 4.093 1.00 25.13 C ATOM 1597 CD LYS A 101 2.577 14.994 3.749 1.00 10.34 C ATOM 1598 CE LYS A 101 1.929 15.827 2.633 1.00 14.43 C ATOM 1599 NZ LYS A 101 0.659 16.471 3.035 1.00 55.13 N ATOM 0 H LYS A 101 0.976 12.461 6.881 1.00 12.14 H new ATOM 0 HA LYS A 101 1.555 11.170 4.336 1.00 55.53 H new ATOM 0 HB2 LYS A 101 2.736 13.355 6.040 1.00 41.32 H new ATOM 0 HB3 LYS A 101 3.647 12.663 4.712 1.00 41.32 H new ATOM 0 HG2 LYS A 101 1.663 13.125 3.180 1.00 25.13 H new ATOM 0 HG3 LYS A 101 0.865 13.931 4.517 1.00 25.13 H new ATOM 0 HD2 LYS A 101 2.643 15.606 4.648 1.00 10.34 H new ATOM 0 HD3 LYS A 101 3.598 14.750 3.454 1.00 10.34 H new ATOM 0 HE2 LYS A 101 2.631 16.596 2.311 1.00 14.43 H new ATOM 0 HE3 LYS A 101 1.744 15.184 1.772 1.00 14.43 H new ATOM 0 HZ1 LYS A 101 0.304 17.057 2.252 1.00 55.13 H new ATOM 0 HZ2 LYS A 101 -0.043 15.740 3.266 1.00 55.13 H new ATOM 0 HZ3 LYS A 101 0.822 17.070 3.869 1.00 55.13 H new ATOM 1613 N THR A 102 3.233 10.308 7.045 1.00 65.22 N ATOM 1614 CA THR A 102 4.135 9.282 7.565 1.00 72.01 C ATOM 1615 C THR A 102 3.610 7.873 7.268 1.00 55.45 C ATOM 1616 O THR A 102 4.317 7.071 6.661 1.00 31.24 O ATOM 1617 CB THR A 102 4.359 9.496 9.064 1.00 30.12 C ATOM 1618 OG1 THR A 102 3.120 9.617 9.720 1.00 12.35 O ATOM 1619 CG2 THR A 102 5.178 10.754 9.355 1.00 33.04 C ATOM 0 H THR A 102 2.928 10.983 7.746 1.00 65.22 H new ATOM 0 HA THR A 102 5.095 9.374 7.058 1.00 72.01 H new ATOM 0 HB THR A 102 4.912 8.630 9.428 1.00 30.12 H new ATOM 0 HG1 THR A 102 3.269 9.752 10.679 1.00 12.35 H new ATOM 0 HG21 THR A 102 5.309 10.862 10.432 1.00 33.04 H new ATOM 0 HG22 THR A 102 6.154 10.671 8.877 1.00 33.04 H new ATOM 0 HG23 THR A 102 4.655 11.627 8.964 1.00 33.04 H new ATOM 1627 N ARG A 103 2.351 7.577 7.620 1.00 70.52 N ATOM 1628 CA ARG A 103 1.731 6.278 7.333 1.00 54.25 C ATOM 1629 C ARG A 103 1.800 5.923 5.842 1.00 71.10 C ATOM 1630 O ARG A 103 2.050 4.760 5.517 1.00 3.21 O ATOM 1631 CB ARG A 103 0.293 6.217 7.888 1.00 71.23 C ATOM 1632 CG ARG A 103 -0.625 7.267 7.248 1.00 14.03 C ATOM 1633 CD ARG A 103 -2.087 7.227 7.695 1.00 42.35 C ATOM 1634 NE ARG A 103 -2.304 7.843 9.015 1.00 21.02 N ATOM 1635 CZ ARG A 103 -2.319 7.246 10.209 1.00 1.32 C ATOM 1636 NH1 ARG A 103 -2.125 5.943 10.324 1.00 45.22 N ATOM 1637 NH2 ARG A 103 -2.540 7.961 11.302 1.00 1.32 N ATOM 0 H ARG A 103 1.737 8.228 8.109 1.00 70.52 H new ATOM 0 HA ARG A 103 2.310 5.513 7.851 1.00 54.25 H new ATOM 0 HB2 ARG A 103 -0.119 5.223 7.714 1.00 71.23 H new ATOM 0 HB3 ARG A 103 0.316 6.368 8.967 1.00 71.23 H new ATOM 0 HG2 ARG A 103 -0.224 8.256 7.467 1.00 14.03 H new ATOM 0 HG3 ARG A 103 -0.591 7.142 6.166 1.00 14.03 H new ATOM 0 HD2 ARG A 103 -2.701 7.741 6.955 1.00 42.35 H new ATOM 0 HD3 ARG A 103 -2.424 6.191 7.724 1.00 42.35 H new ATOM 0 HE ARG A 103 -2.462 8.851 9.017 1.00 21.02 H new ATOM 0 HH11 ARG A 103 -1.960 5.377 9.492 1.00 45.22 H new ATOM 0 HH12 ARG A 103 -2.140 5.504 11.245 1.00 45.22 H new ATOM 0 HH21 ARG A 103 -2.698 8.966 11.231 1.00 1.32 H new ATOM 0 HH22 ARG A 103 -2.552 7.506 12.215 1.00 1.32 H new ATOM 1651 N ARG A 104 1.658 6.892 4.925 1.00 73.41 N ATOM 1652 CA ARG A 104 1.786 6.597 3.503 1.00 23.40 C ATOM 1653 C ARG A 104 3.149 6.053 3.148 1.00 23.05 C ATOM 1654 O ARG A 104 3.180 5.167 2.298 1.00 33.34 O ATOM 1655 CB ARG A 104 1.375 7.761 2.588 1.00 63.44 C ATOM 1656 CG ARG A 104 -0.081 7.624 2.114 1.00 43.11 C ATOM 1657 CD ARG A 104 -0.516 6.218 1.630 1.00 42.04 C ATOM 1658 NE ARG A 104 0.492 5.532 0.788 1.00 54.24 N ATOM 1659 CZ ARG A 104 0.286 4.714 -0.254 1.00 51.32 C ATOM 1660 NH1 ARG A 104 -0.925 4.299 -0.611 1.00 62.35 N ATOM 1661 NH2 ARG A 104 1.329 4.313 -0.965 1.00 24.35 N ATOM 0 H ARG A 104 1.458 7.868 5.144 1.00 73.41 H new ATOM 0 HA ARG A 104 1.062 5.805 3.312 1.00 23.40 H new ATOM 0 HB2 ARG A 104 1.497 8.704 3.121 1.00 63.44 H new ATOM 0 HB3 ARG A 104 2.038 7.796 1.723 1.00 63.44 H new ATOM 0 HG2 ARG A 104 -0.737 7.922 2.932 1.00 43.11 H new ATOM 0 HG3 ARG A 104 -0.244 8.331 1.301 1.00 43.11 H new ATOM 0 HD2 ARG A 104 -0.732 5.597 2.499 1.00 42.04 H new ATOM 0 HD3 ARG A 104 -1.444 6.310 1.065 1.00 42.04 H new ATOM 0 HE ARG A 104 1.467 5.704 1.032 1.00 54.24 H new ATOM 0 HH11 ARG A 104 -1.744 4.603 -0.085 1.00 62.35 H new ATOM 0 HH12 ARG A 104 -1.035 3.676 -1.411 1.00 62.35 H new ATOM 0 HH21 ARG A 104 2.267 4.627 -0.716 1.00 24.35 H new ATOM 0 HH22 ARG A 104 1.194 3.691 -1.762 1.00 24.35 H new ATOM 1675 N ALA A 105 4.234 6.488 3.790 1.00 3.54 N ATOM 1676 CA ALA A 105 5.553 5.941 3.490 1.00 60.25 C ATOM 1677 C ALA A 105 5.596 4.420 3.672 1.00 21.02 C ATOM 1678 O ALA A 105 6.223 3.722 2.868 1.00 73.33 O ATOM 1679 CB ALA A 105 6.648 6.622 4.320 1.00 52.31 C ATOM 0 H ALA A 105 4.225 7.209 4.512 1.00 3.54 H new ATOM 0 HA ALA A 105 5.750 6.152 2.439 1.00 60.25 H new ATOM 0 HB1 ALA A 105 7.616 6.189 4.070 1.00 52.31 H new ATOM 0 HB2 ALA A 105 6.660 7.690 4.100 1.00 52.31 H new ATOM 0 HB3 ALA A 105 6.447 6.472 5.381 1.00 52.31 H new ATOM 1685 N THR A 106 4.911 3.888 4.686 1.00 11.23 N ATOM 1686 CA THR A 106 4.813 2.454 4.911 1.00 3.13 C ATOM 1687 C THR A 106 4.137 1.780 3.704 1.00 31.44 C ATOM 1688 O THR A 106 4.692 0.838 3.130 1.00 1.33 O ATOM 1689 CB THR A 106 4.071 2.216 6.238 1.00 61.13 C ATOM 1690 OG1 THR A 106 4.811 2.732 7.334 1.00 41.01 O ATOM 1691 CG2 THR A 106 3.802 0.739 6.525 1.00 74.00 C ATOM 0 H THR A 106 4.408 4.447 5.375 1.00 11.23 H new ATOM 0 HA THR A 106 5.800 2.000 5.000 1.00 3.13 H new ATOM 0 HB THR A 106 3.118 2.732 6.126 1.00 61.13 H new ATOM 0 HG1 THR A 106 4.319 2.571 8.166 1.00 41.01 H new ATOM 0 HG21 THR A 106 3.276 0.643 7.475 1.00 74.00 H new ATOM 0 HG22 THR A 106 3.189 0.319 5.727 1.00 74.00 H new ATOM 0 HG23 THR A 106 4.748 0.200 6.578 1.00 74.00 H new ATOM 1699 N MET A 107 2.949 2.238 3.302 1.00 2.54 N ATOM 1700 CA MET A 107 2.214 1.644 2.191 1.00 41.22 C ATOM 1701 C MET A 107 2.988 1.793 0.875 1.00 2.21 C ATOM 1702 O MET A 107 2.969 0.876 0.057 1.00 14.30 O ATOM 1703 CB MET A 107 0.829 2.293 2.104 1.00 44.32 C ATOM 1704 CG MET A 107 -0.081 1.910 3.278 1.00 40.21 C ATOM 1705 SD MET A 107 -1.119 3.271 3.873 1.00 42.12 S ATOM 1706 CE MET A 107 -2.505 3.268 2.699 1.00 71.45 C ATOM 0 H MET A 107 2.474 3.028 3.738 1.00 2.54 H new ATOM 0 HA MET A 107 2.094 0.575 2.367 1.00 41.22 H new ATOM 0 HB2 MET A 107 0.942 3.377 2.076 1.00 44.32 H new ATOM 0 HB3 MET A 107 0.352 1.998 1.169 1.00 44.32 H new ATOM 0 HG2 MET A 107 -0.722 1.083 2.974 1.00 40.21 H new ATOM 0 HG3 MET A 107 0.536 1.549 4.101 1.00 40.21 H new ATOM 0 HE1 MET A 107 -3.344 3.819 3.125 1.00 71.45 H new ATOM 0 HE2 MET A 107 -2.194 3.743 1.768 1.00 71.45 H new ATOM 0 HE3 MET A 107 -2.810 2.241 2.498 1.00 71.45 H new ATOM 1716 N THR A 108 3.696 2.906 0.651 1.00 3.04 N ATOM 1717 CA THR A 108 4.437 3.101 -0.588 1.00 42.25 C ATOM 1718 C THR A 108 5.567 2.072 -0.711 1.00 62.21 C ATOM 1719 O THR A 108 5.703 1.481 -1.777 1.00 34.52 O ATOM 1720 CB THR A 108 4.909 4.560 -0.740 1.00 13.40 C ATOM 1721 OG1 THR A 108 3.865 5.470 -0.433 1.00 23.11 O ATOM 1722 CG2 THR A 108 5.299 4.865 -2.187 1.00 25.41 C ATOM 0 H THR A 108 3.768 3.679 1.312 1.00 3.04 H new ATOM 0 HA THR A 108 3.767 2.923 -1.429 1.00 42.25 H new ATOM 0 HB THR A 108 5.755 4.674 -0.062 1.00 13.40 H new ATOM 0 HG1 THR A 108 3.670 5.433 0.527 1.00 23.11 H new ATOM 0 HG21 THR A 108 5.628 5.901 -2.264 1.00 25.41 H new ATOM 0 HG22 THR A 108 6.109 4.203 -2.493 1.00 25.41 H new ATOM 0 HG23 THR A 108 4.438 4.708 -2.837 1.00 25.41 H new ATOM 1730 N ASN A 109 6.329 1.772 0.353 1.00 2.41 N ATOM 1731 CA ASN A 109 7.406 0.780 0.225 1.00 61.13 C ATOM 1732 C ASN A 109 6.876 -0.611 -0.128 1.00 12.42 C ATOM 1733 O ASN A 109 7.525 -1.352 -0.863 1.00 73.11 O ATOM 1734 CB ASN A 109 8.262 0.675 1.487 1.00 4.40 C ATOM 1735 CG ASN A 109 9.572 -0.029 1.141 1.00 41.12 C ATOM 1736 OD1 ASN A 109 10.477 0.573 0.571 1.00 44.33 O ATOM 1737 ND2 ASN A 109 9.685 -1.307 1.452 1.00 25.22 N ATOM 0 H ASN A 109 6.226 2.185 1.280 1.00 2.41 H new ATOM 0 HA ASN A 109 8.028 1.143 -0.593 1.00 61.13 H new ATOM 0 HB2 ASN A 109 8.463 1.668 1.889 1.00 4.40 H new ATOM 0 HB3 ASN A 109 7.729 0.120 2.259 1.00 4.40 H new ATOM 0 HD21 ASN A 109 10.538 -1.815 1.219 1.00 25.22 H new ATOM 0 HD22 ASN A 109 8.919 -1.786 1.926 1.00 25.22 H new ATOM 1744 N TRP A 110 5.695 -0.965 0.389 1.00 13.51 N ATOM 1745 CA TRP A 110 5.047 -2.223 0.041 1.00 12.32 C ATOM 1746 C TRP A 110 4.735 -2.261 -1.453 1.00 4.51 C ATOM 1747 O TRP A 110 4.954 -3.292 -2.077 1.00 44.35 O ATOM 1748 CB TRP A 110 3.773 -2.444 0.865 1.00 5.23 C ATOM 1749 CG TRP A 110 2.986 -3.650 0.456 1.00 5.23 C ATOM 1750 CD1 TRP A 110 3.203 -4.931 0.843 1.00 73.14 C ATOM 1751 CD2 TRP A 110 1.862 -3.691 -0.471 1.00 74.41 C ATOM 1752 NE1 TRP A 110 2.276 -5.750 0.227 1.00 75.43 N ATOM 1753 CE2 TRP A 110 1.422 -5.039 -0.589 1.00 0.24 C ATOM 1754 CE3 TRP A 110 1.148 -2.716 -1.199 1.00 15.24 C ATOM 1755 CZ2 TRP A 110 0.296 -5.391 -1.347 1.00 41.21 C ATOM 1756 CZ3 TRP A 110 0.058 -3.071 -2.017 1.00 24.12 C ATOM 1757 CH2 TRP A 110 -0.358 -4.407 -2.098 1.00 35.41 C ATOM 0 H TRP A 110 5.171 -0.393 1.051 1.00 13.51 H new ATOM 0 HA TRP A 110 5.736 -3.033 0.277 1.00 12.32 H new ATOM 0 HB2 TRP A 110 4.044 -2.539 1.916 1.00 5.23 H new ATOM 0 HB3 TRP A 110 3.139 -1.562 0.778 1.00 5.23 H new ATOM 0 HD1 TRP A 110 3.976 -5.259 1.523 1.00 73.14 H new ATOM 0 HE1 TRP A 110 2.229 -6.760 0.360 1.00 75.43 H new ATOM 0 HE3 TRP A 110 1.442 -1.679 -1.128 1.00 15.24 H new ATOM 0 HZ2 TRP A 110 -0.063 -6.410 -1.351 1.00 41.21 H new ATOM 0 HZ3 TRP A 110 -0.459 -2.311 -2.584 1.00 24.12 H new ATOM 0 HH2 TRP A 110 -1.183 -4.677 -2.740 1.00 35.41 H new ATOM 1768 N LEU A 111 4.267 -1.155 -2.042 1.00 14.43 N ATOM 1769 CA LEU A 111 3.917 -1.124 -3.458 1.00 72.23 C ATOM 1770 C LEU A 111 5.140 -1.439 -4.323 1.00 71.22 C ATOM 1771 O LEU A 111 5.006 -2.223 -5.263 1.00 51.23 O ATOM 1772 CB LEU A 111 3.283 0.220 -3.853 1.00 25.44 C ATOM 1773 CG LEU A 111 1.871 0.454 -3.287 1.00 75.12 C ATOM 1774 CD1 LEU A 111 1.479 1.930 -3.383 1.00 65.14 C ATOM 1775 CD2 LEU A 111 0.815 -0.362 -4.039 1.00 62.25 C ATOM 0 H LEU A 111 4.123 -0.270 -1.555 1.00 14.43 H new ATOM 0 HA LEU A 111 3.169 -1.897 -3.635 1.00 72.23 H new ATOM 0 HB2 LEU A 111 3.934 1.027 -3.515 1.00 25.44 H new ATOM 0 HB3 LEU A 111 3.239 0.280 -4.940 1.00 25.44 H new ATOM 0 HG LEU A 111 1.903 0.137 -2.244 1.00 75.12 H new ATOM 0 HD11 LEU A 111 0.477 2.068 -2.976 1.00 65.14 H new ATOM 0 HD12 LEU A 111 2.187 2.532 -2.814 1.00 65.14 H new ATOM 0 HD13 LEU A 111 1.493 2.243 -4.427 1.00 65.14 H new ATOM 0 HD21 LEU A 111 -0.168 -0.169 -3.609 1.00 62.25 H new ATOM 0 HD22 LEU A 111 0.814 -0.075 -5.090 1.00 62.25 H new ATOM 0 HD23 LEU A 111 1.046 -1.424 -3.953 1.00 62.25 H new ATOM 1787 N LEU A 112 6.332 -0.907 -4.001 1.00 74.24 N ATOM 1788 CA LEU A 112 7.555 -1.302 -4.695 1.00 21.21 C ATOM 1789 C LEU A 112 7.820 -2.797 -4.513 1.00 40.02 C ATOM 1790 O LEU A 112 8.061 -3.483 -5.500 1.00 33.41 O ATOM 1791 CB LEU A 112 8.790 -0.538 -4.199 1.00 63.51 C ATOM 1792 CG LEU A 112 8.962 0.939 -4.579 1.00 55.32 C ATOM 1793 CD1 LEU A 112 8.868 1.191 -6.090 1.00 11.51 C ATOM 1794 CD2 LEU A 112 8.047 1.857 -3.771 1.00 21.33 C ATOM 0 H LEU A 112 6.467 -0.209 -3.270 1.00 74.24 H new ATOM 0 HA LEU A 112 7.394 -1.062 -5.746 1.00 21.21 H new ATOM 0 HB2 LEU A 112 8.798 -0.599 -3.111 1.00 63.51 H new ATOM 0 HB3 LEU A 112 9.671 -1.073 -4.555 1.00 63.51 H new ATOM 0 HG LEU A 112 9.984 1.200 -4.304 1.00 55.32 H new ATOM 0 HD11 LEU A 112 8.998 2.255 -6.290 1.00 11.51 H new ATOM 0 HD12 LEU A 112 9.648 0.627 -6.602 1.00 11.51 H new ATOM 0 HD13 LEU A 112 7.891 0.870 -6.452 1.00 11.51 H new ATOM 0 HD21 LEU A 112 8.207 2.891 -4.077 1.00 21.33 H new ATOM 0 HD22 LEU A 112 7.007 1.582 -3.949 1.00 21.33 H new ATOM 0 HD23 LEU A 112 8.273 1.754 -2.710 1.00 21.33 H new ATOM 1806 N ALA A 113 7.815 -3.303 -3.272 1.00 43.33 N ATOM 1807 CA ALA A 113 8.101 -4.713 -3.000 1.00 41.33 C ATOM 1808 C ALA A 113 7.166 -5.603 -3.823 1.00 41.22 C ATOM 1809 O ALA A 113 7.629 -6.529 -4.489 1.00 24.42 O ATOM 1810 CB ALA A 113 7.978 -4.992 -1.497 1.00 25.23 C ATOM 0 H ALA A 113 7.614 -2.751 -2.438 1.00 43.33 H new ATOM 0 HA ALA A 113 9.124 -4.944 -3.296 1.00 41.33 H new ATOM 0 HB1 ALA A 113 8.192 -6.043 -1.303 1.00 25.23 H new ATOM 0 HB2 ALA A 113 8.689 -4.370 -0.952 1.00 25.23 H new ATOM 0 HB3 ALA A 113 6.966 -4.761 -1.166 1.00 25.23 H new ATOM 1816 N TYR A 114 5.870 -5.287 -3.817 1.00 33.21 N ATOM 1817 CA TYR A 114 4.850 -5.963 -4.596 1.00 23.14 C ATOM 1818 C TYR A 114 5.186 -5.920 -6.086 1.00 52.23 C ATOM 1819 O TYR A 114 5.277 -6.978 -6.703 1.00 50.24 O ATOM 1820 CB TYR A 114 3.466 -5.363 -4.303 1.00 13.42 C ATOM 1821 CG TYR A 114 2.364 -5.991 -5.135 1.00 30.11 C ATOM 1822 CD1 TYR A 114 2.122 -7.375 -5.042 1.00 32.32 C ATOM 1823 CD2 TYR A 114 1.636 -5.212 -6.056 1.00 21.21 C ATOM 1824 CE1 TYR A 114 1.181 -7.988 -5.884 1.00 72.31 C ATOM 1825 CE2 TYR A 114 0.663 -5.812 -6.873 1.00 73.42 C ATOM 1826 CZ TYR A 114 0.449 -7.208 -6.805 1.00 32.11 C ATOM 1827 OH TYR A 114 -0.469 -7.792 -7.616 1.00 62.20 O ATOM 0 H TYR A 114 5.497 -4.527 -3.248 1.00 33.21 H new ATOM 0 HA TYR A 114 4.823 -7.012 -4.302 1.00 23.14 H new ATOM 0 HB2 TYR A 114 3.235 -5.493 -3.246 1.00 13.42 H new ATOM 0 HB3 TYR A 114 3.492 -4.290 -4.494 1.00 13.42 H new ATOM 0 HD1 TYR A 114 2.663 -7.968 -4.319 1.00 32.32 H new ATOM 0 HD2 TYR A 114 1.826 -4.152 -6.134 1.00 21.21 H new ATOM 0 HE1 TYR A 114 1.017 -9.054 -5.827 1.00 72.31 H new ATOM 0 HE2 TYR A 114 0.079 -5.208 -7.552 1.00 73.42 H new ATOM 0 HH TYR A 114 -1.044 -7.103 -8.009 1.00 62.20 H new ATOM 1837 N ARG A 115 5.377 -4.735 -6.687 1.00 74.54 N ATOM 1838 CA ARG A 115 5.597 -4.684 -8.132 1.00 22.44 C ATOM 1839 C ARG A 115 6.862 -5.409 -8.549 1.00 34.34 C ATOM 1840 O ARG A 115 6.823 -6.100 -9.557 1.00 34.22 O ATOM 1841 CB ARG A 115 5.549 -3.277 -8.740 1.00 11.15 C ATOM 1842 CG ARG A 115 6.573 -2.236 -8.257 1.00 3.33 C ATOM 1843 CD ARG A 115 7.152 -1.390 -9.397 1.00 15.21 C ATOM 1844 NE ARG A 115 8.310 -2.052 -10.023 1.00 0.42 N ATOM 1845 CZ ARG A 115 8.721 -1.896 -11.289 1.00 10.45 C ATOM 1846 NH1 ARG A 115 8.044 -1.125 -12.130 1.00 45.34 N ATOM 1847 NH2 ARG A 115 9.816 -2.504 -11.725 1.00 73.24 N ATOM 0 H ARG A 115 5.383 -3.832 -6.212 1.00 74.54 H new ATOM 0 HA ARG A 115 4.741 -5.215 -8.548 1.00 22.44 H new ATOM 0 HB2 ARG A 115 5.662 -3.378 -9.819 1.00 11.15 H new ATOM 0 HB3 ARG A 115 4.553 -2.871 -8.560 1.00 11.15 H new ATOM 0 HG2 ARG A 115 6.098 -1.578 -7.529 1.00 3.33 H new ATOM 0 HG3 ARG A 115 7.387 -2.747 -7.742 1.00 3.33 H new ATOM 0 HD2 ARG A 115 6.382 -1.213 -10.148 1.00 15.21 H new ATOM 0 HD3 ARG A 115 7.452 -0.415 -9.013 1.00 15.21 H new ATOM 0 HE ARG A 115 8.850 -2.689 -9.437 1.00 0.42 H new ATOM 0 HH11 ARG A 115 7.202 -0.644 -11.815 1.00 45.34 H new ATOM 0 HH12 ARG A 115 8.366 -1.013 -13.091 1.00 45.34 H new ATOM 0 HH21 ARG A 115 10.355 -3.098 -11.095 1.00 73.24 H new ATOM 0 HH22 ARG A 115 10.119 -2.378 -12.691 1.00 73.24 H new ATOM 1861 N ARG A 116 7.970 -5.296 -7.816 1.00 72.21 N ATOM 1862 CA ARG A 116 9.211 -5.973 -8.086 1.00 24.12 C ATOM 1863 C ARG A 116 8.955 -7.470 -8.076 1.00 74.02 C ATOM 1864 O ARG A 116 9.339 -8.120 -9.030 1.00 64.23 O ATOM 1865 CB ARG A 116 10.134 -5.468 -6.971 1.00 13.12 C ATOM 1866 CG ARG A 116 11.303 -6.344 -6.604 1.00 3.13 C ATOM 1867 CD ARG A 116 12.335 -6.537 -7.720 1.00 61.33 C ATOM 1868 NE ARG A 116 13.424 -7.404 -7.253 1.00 24.44 N ATOM 1869 CZ ARG A 116 14.175 -8.218 -8.002 1.00 42.35 C ATOM 1870 NH1 ARG A 116 14.164 -8.154 -9.330 1.00 53.20 N ATOM 1871 NH2 ARG A 116 14.984 -9.092 -7.426 1.00 2.02 N ATOM 0 H ARG A 116 8.015 -4.703 -6.987 1.00 72.21 H new ATOM 0 HA ARG A 116 9.663 -5.777 -9.058 1.00 24.12 H new ATOM 0 HB2 ARG A 116 10.521 -4.493 -7.267 1.00 13.12 H new ATOM 0 HB3 ARG A 116 9.532 -5.314 -6.076 1.00 13.12 H new ATOM 0 HG2 ARG A 116 11.803 -5.914 -5.736 1.00 3.13 H new ATOM 0 HG3 ARG A 116 10.926 -7.322 -6.303 1.00 3.13 H new ATOM 0 HD2 ARG A 116 11.858 -6.978 -8.595 1.00 61.33 H new ATOM 0 HD3 ARG A 116 12.735 -5.571 -8.028 1.00 61.33 H new ATOM 0 HE ARG A 116 13.629 -7.383 -6.254 1.00 24.44 H new ATOM 0 HH11 ARG A 116 13.572 -7.471 -9.803 1.00 53.20 H new ATOM 0 HH12 ARG A 116 14.748 -8.788 -9.876 1.00 53.20 H new ATOM 0 HH21 ARG A 116 15.036 -9.146 -6.409 1.00 2.02 H new ATOM 0 HH22 ARG A 116 15.556 -9.712 -7.999 1.00 2.02 H new ATOM 1885 N SER A 117 8.231 -7.983 -7.085 1.00 64.31 N ATOM 1886 CA SER A 117 7.865 -9.395 -6.988 1.00 42.32 C ATOM 1887 C SER A 117 7.047 -9.938 -8.175 1.00 41.12 C ATOM 1888 O SER A 117 6.799 -11.141 -8.244 1.00 53.32 O ATOM 1889 CB SER A 117 7.078 -9.615 -5.701 1.00 23.25 C ATOM 1890 OG SER A 117 7.756 -9.160 -4.540 1.00 73.24 O ATOM 0 H SER A 117 7.875 -7.420 -6.312 1.00 64.31 H new ATOM 0 HA SER A 117 8.804 -9.948 -6.997 1.00 42.32 H new ATOM 0 HB2 SER A 117 6.120 -9.101 -5.778 1.00 23.25 H new ATOM 0 HB3 SER A 117 6.862 -10.678 -5.593 1.00 23.25 H new ATOM 0 HG SER A 117 7.721 -8.181 -4.503 1.00 73.24 H new ATOM 1896 N GLN A 118 6.578 -9.097 -9.101 1.00 74.02 N ATOM 1897 CA GLN A 118 6.001 -9.576 -10.358 1.00 31.23 C ATOM 1898 C GLN A 118 7.116 -10.014 -11.317 1.00 43.32 C ATOM 1899 O GLN A 118 6.988 -10.990 -12.058 1.00 21.23 O ATOM 1900 CB GLN A 118 5.136 -8.482 -10.984 1.00 14.01 C ATOM 1901 CG GLN A 118 4.007 -8.061 -10.034 1.00 34.10 C ATOM 1902 CD GLN A 118 3.222 -6.858 -10.532 1.00 23.21 C ATOM 1903 OE1 GLN A 118 3.383 -6.380 -11.652 1.00 53.42 O ATOM 1904 NE2 GLN A 118 2.322 -6.365 -9.706 1.00 63.40 N ATOM 0 H GLN A 118 6.587 -8.082 -9.003 1.00 74.02 H new ATOM 0 HA GLN A 118 5.368 -10.440 -10.158 1.00 31.23 H new ATOM 0 HB2 GLN A 118 5.755 -7.617 -11.224 1.00 14.01 H new ATOM 0 HB3 GLN A 118 4.712 -8.841 -11.922 1.00 14.01 H new ATOM 0 HG2 GLN A 118 3.325 -8.900 -9.896 1.00 34.10 H new ATOM 0 HG3 GLN A 118 4.431 -7.831 -9.056 1.00 34.10 H new ATOM 0 HE21 GLN A 118 2.202 -6.774 -8.780 1.00 63.40 H new ATOM 0 HE22 GLN A 118 1.745 -5.574 -9.993 1.00 63.40 H new