USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1037 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 115 GLN :FLIP amide:sc= -3.67! C(o=-9.4!,f=-6.7!) USER MOD Set 1.2: A 117 TYR OH : rot -19:sc= -3.07! USER MOD Set 2.1: A 92 LYS NZ :NH3+ -164:sc= 0.223 (180deg=-1.12) USER MOD Set 2.2: A 103 ASN : amide:sc= 0.345 K(o=0.57,f=-8.6!) USER MOD Set 3.1: A 18 MET CE :methyl -159:sc= -0.137 (180deg=-1.45) USER MOD Set 3.2: A 21 MET CE :methyl 165:sc= -4.46! (180deg=-5.45!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.587! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0246 (180deg=-0.279) USER MOD Single : A 11 SER OG : rot -154:sc= 0.115 USER MOD Single : A 13 ASN : amide:sc= 0.0016 X(o=0.0016,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0983 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0105) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= -0.0244 (180deg=-0.036) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0312 F(o=-2.2!,f=-0.031) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.126 (180deg=-1.13) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.00125) USER MOD Single : A 33 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.15) USER MOD Single : A 35 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.053) USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00418) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -6.48! C(o=-7.4!,f=-6.5!) USER MOD Single : A 45 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.3!) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -0.196 (180deg=-0.944) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -38:sc= -0.254! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.12 K(o=-2.1,f=-8.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0937 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0204 F(o=-2.2!,f=-0.02) USER MOD Single : A 71 ASN : amide:sc= -0.646 K(o=-0.65,f=-2.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.758 USER MOD Single : A 81 THR OG1 : rot -86:sc= -2! USER MOD Single : A 83 SER OG : rot 16:sc= 0.0677 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.69 F(o=-4!,f=-0.69) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.0382 (180deg=-0.679) USER MOD Single : A 94 LYS NZ :NH3+ 138:sc= -0.362 (180deg=-1.75!) USER MOD Single : A 96 THR OG1 : rot 30:sc= -1.86! USER MOD Single : A 98 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.5!) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.227 F(o=-1.1,f=-0.23) USER MOD Single : A 104 THR OG1 : rot 57:sc= -0.194! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -80:sc= -2.41 USER MOD Single : A 125 LYS NZ :NH3+ -179:sc= -3.41! (180deg=-3.52!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.442 7.617 -9.768 1.00 0.00 N ATOM 34 CA ASP A 3 113.745 8.776 -10.392 1.00 0.00 C ATOM 35 C ASP A 3 113.055 8.322 -11.680 1.00 0.00 C ATOM 36 O ASP A 3 113.625 8.378 -12.752 1.00 0.00 O ATOM 37 CB ASP A 3 114.766 9.869 -10.717 1.00 0.00 C ATOM 38 CG ASP A 3 114.086 10.984 -11.513 1.00 0.00 C ATOM 39 OD1 ASP A 3 114.580 11.310 -12.579 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.082 11.493 -11.043 1.00 0.00 O ATOM 0 HA ASP A 3 113.000 9.169 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.189 10.271 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.592 9.450 -11.291 1.00 0.00 H new ATOM 45 N SER A 4 111.832 7.872 -11.586 1.00 0.00 N ATOM 46 CA SER A 4 111.114 7.415 -12.811 1.00 0.00 C ATOM 47 C SER A 4 109.875 6.607 -12.413 1.00 0.00 C ATOM 48 O SER A 4 109.438 6.642 -11.277 1.00 0.00 O ATOM 49 CB SER A 4 112.053 6.546 -13.651 1.00 0.00 C ATOM 50 OG SER A 4 111.300 5.545 -14.324 1.00 0.00 O ATOM 0 H SER A 4 111.301 7.801 -10.718 1.00 0.00 H new ATOM 0 HA SER A 4 110.800 8.280 -13.395 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.586 7.163 -14.375 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.805 6.082 -13.012 1.00 0.00 H new ATOM 0 HG SER A 4 111.902 4.990 -14.863 1.00 0.00 H new ATOM 56 N THR A 5 109.303 5.882 -13.338 1.00 0.00 N ATOM 57 CA THR A 5 108.093 5.076 -13.015 1.00 0.00 C ATOM 58 C THR A 5 108.484 3.608 -12.841 1.00 0.00 C ATOM 59 O THR A 5 109.390 3.115 -13.484 1.00 0.00 O ATOM 60 CB THR A 5 107.077 5.201 -14.154 1.00 0.00 C ATOM 61 OG1 THR A 5 106.595 6.535 -14.212 1.00 0.00 O ATOM 62 CG2 THR A 5 105.909 4.245 -13.906 1.00 0.00 C ATOM 0 H THR A 5 109.623 5.814 -14.304 1.00 0.00 H new ATOM 0 HA THR A 5 107.651 5.445 -12.089 1.00 0.00 H new ATOM 0 HB THR A 5 107.557 4.946 -15.099 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.946 6.617 -14.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.187 4.335 -14.717 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.280 3.221 -13.862 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.427 4.497 -12.961 1.00 0.00 H new ATOM 70 N TRP A 6 107.812 2.909 -11.970 1.00 0.00 N ATOM 71 CA TRP A 6 108.141 1.474 -11.740 1.00 0.00 C ATOM 72 C TRP A 6 106.884 0.732 -11.288 1.00 0.00 C ATOM 73 O TRP A 6 105.876 1.333 -10.980 1.00 0.00 O ATOM 74 CB TRP A 6 109.208 1.358 -10.658 1.00 0.00 C ATOM 75 CG TRP A 6 110.242 2.423 -10.842 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.060 3.739 -10.590 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.618 2.279 -11.296 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.239 4.412 -10.862 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.228 3.554 -11.301 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.386 1.174 -11.699 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.556 3.726 -11.694 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.722 1.342 -12.093 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.306 2.616 -12.090 1.00 0.00 C ATOM 0 H TRP A 6 107.045 3.272 -11.404 1.00 0.00 H new ATOM 0 HA TRP A 6 108.514 1.037 -12.666 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.750 1.451 -9.673 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.676 0.374 -10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.146 4.191 -10.235 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.362 5.419 -10.752 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.945 0.188 -11.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.001 4.710 -11.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.303 0.485 -12.400 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.335 2.739 -12.394 1.00 0.00 H new ATOM 94 N LYS A 7 106.931 -0.573 -11.246 1.00 0.00 N ATOM 95 CA LYS A 7 105.733 -1.341 -10.812 1.00 0.00 C ATOM 96 C LYS A 7 106.174 -2.667 -10.202 1.00 0.00 C ATOM 97 O LYS A 7 106.936 -3.408 -10.790 1.00 0.00 O ATOM 98 CB LYS A 7 104.834 -1.604 -12.020 1.00 0.00 C ATOM 99 CG LYS A 7 105.462 -2.685 -12.901 1.00 0.00 C ATOM 100 CD LYS A 7 104.839 -2.629 -14.298 1.00 0.00 C ATOM 101 CE LYS A 7 105.573 -3.601 -15.223 1.00 0.00 C ATOM 102 NZ LYS A 7 105.342 -4.998 -14.758 1.00 0.00 N ATOM 0 H LYS A 7 107.745 -1.136 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 7 105.180 -0.768 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.845 -1.920 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.700 -0.686 -12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.540 -2.536 -12.965 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.302 -3.668 -12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.781 -2.888 -14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.901 -1.616 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.218 -3.484 -16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.640 -3.380 -15.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.632 -5.664 -15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.900 -5.175 -13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.332 -5.132 -14.548 1.00 0.00 H new ATOM 116 N VAL A 8 105.705 -2.971 -9.023 1.00 0.00 N ATOM 117 CA VAL A 8 106.101 -4.250 -8.375 1.00 0.00 C ATOM 118 C VAL A 8 106.204 -5.348 -9.431 1.00 0.00 C ATOM 119 O VAL A 8 105.218 -5.838 -9.942 1.00 0.00 O ATOM 120 CB VAL A 8 105.064 -4.627 -7.310 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.698 -4.064 -7.703 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.977 -6.152 -7.183 1.00 0.00 C ATOM 0 H VAL A 8 105.066 -2.389 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 8 107.072 -4.133 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 8 105.367 -4.207 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.962 -4.333 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.760 -2.978 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.397 -4.479 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.239 -6.412 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.681 -6.581 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.950 -6.549 -6.893 1.00 0.00 H new ATOM 132 N ASP A 9 107.405 -5.740 -9.749 1.00 0.00 N ATOM 133 CA ASP A 9 107.598 -6.814 -10.757 1.00 0.00 C ATOM 134 C ASP A 9 107.806 -8.130 -10.018 1.00 0.00 C ATOM 135 O ASP A 9 107.526 -9.195 -10.531 1.00 0.00 O ATOM 136 CB ASP A 9 108.829 -6.502 -11.612 1.00 0.00 C ATOM 137 CG ASP A 9 108.941 -7.531 -12.739 1.00 0.00 C ATOM 138 OD1 ASP A 9 107.910 -7.920 -13.263 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.054 -7.910 -13.060 1.00 0.00 O ATOM 0 H ASP A 9 108.264 -5.360 -9.352 1.00 0.00 H new ATOM 0 HA ASP A 9 106.726 -6.882 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.751 -5.498 -12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.728 -6.522 -10.996 1.00 0.00 H new ATOM 144 N ARG A 10 108.293 -8.064 -8.807 1.00 0.00 N ATOM 145 CA ARG A 10 108.512 -9.317 -8.031 1.00 0.00 C ATOM 146 C ARG A 10 108.125 -9.102 -6.563 1.00 0.00 C ATOM 147 O ARG A 10 108.054 -7.987 -6.086 1.00 0.00 O ATOM 148 CB ARG A 10 109.985 -9.733 -8.125 1.00 0.00 C ATOM 149 CG ARG A 10 110.651 -8.998 -9.291 1.00 0.00 C ATOM 150 CD ARG A 10 112.104 -9.459 -9.422 1.00 0.00 C ATOM 151 NE ARG A 10 112.138 -10.828 -10.010 1.00 0.00 N ATOM 152 CZ ARG A 10 113.256 -11.309 -10.480 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.286 -12.507 -10.995 1.00 0.00 N ATOM 154 NH2 ARG A 10 114.347 -10.591 -10.434 1.00 0.00 N ATOM 0 H ARG A 10 108.547 -7.202 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 10 107.888 -10.107 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.500 -9.500 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.061 -10.811 -8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.110 -9.197 -10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.614 -7.921 -9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.661 -8.766 -10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.587 -9.459 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 10 111.287 -11.389 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.435 -13.068 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.160 -12.882 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 10 114.325 -9.654 -10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 10 115.221 -10.967 -10.801 1.00 0.00 H new ATOM 168 N SER A 11 107.874 -10.169 -5.848 1.00 0.00 N ATOM 169 CA SER A 11 107.489 -10.045 -4.411 1.00 0.00 C ATOM 170 C SER A 11 107.259 -11.444 -3.830 1.00 0.00 C ATOM 171 O SER A 11 106.990 -12.383 -4.553 1.00 0.00 O ATOM 172 CB SER A 11 106.198 -9.232 -4.292 1.00 0.00 C ATOM 173 OG SER A 11 105.755 -9.250 -2.942 1.00 0.00 O ATOM 0 H SER A 11 107.920 -11.125 -6.200 1.00 0.00 H new ATOM 0 HA SER A 11 108.286 -9.542 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.370 -8.206 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.431 -9.649 -4.944 1.00 0.00 H new ATOM 0 HG SER A 11 104.785 -9.110 -2.914 1.00 0.00 H new ATOM 179 N GLU A 12 107.361 -11.598 -2.536 1.00 0.00 N ATOM 180 CA GLU A 12 107.145 -12.948 -1.937 1.00 0.00 C ATOM 181 C GLU A 12 106.988 -12.835 -0.417 1.00 0.00 C ATOM 182 O GLU A 12 107.289 -11.817 0.178 1.00 0.00 O ATOM 183 CB GLU A 12 108.342 -13.845 -2.259 1.00 0.00 C ATOM 184 CG GLU A 12 109.609 -13.248 -1.648 1.00 0.00 C ATOM 185 CD GLU A 12 110.838 -13.939 -2.242 1.00 0.00 C ATOM 186 OE1 GLU A 12 111.316 -13.475 -3.265 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.279 -14.919 -1.665 1.00 0.00 O ATOM 0 H GLU A 12 107.582 -10.855 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 12 106.236 -13.380 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.174 -14.848 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.457 -13.941 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.650 -12.177 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.597 -13.373 -0.565 1.00 0.00 H new ATOM 194 N ASN A 13 106.522 -13.883 0.212 1.00 0.00 N ATOM 195 CA ASN A 13 106.343 -13.862 1.694 1.00 0.00 C ATOM 196 C ASN A 13 105.231 -12.876 2.067 1.00 0.00 C ATOM 197 O ASN A 13 104.832 -12.783 3.212 1.00 0.00 O ATOM 198 CB ASN A 13 107.658 -13.441 2.365 1.00 0.00 C ATOM 199 CG ASN A 13 108.173 -14.577 3.252 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.525 -15.633 2.765 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.232 -14.403 4.545 1.00 0.00 N ATOM 0 H ASN A 13 106.256 -14.758 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 13 106.066 -14.859 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.401 -13.194 1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.501 -12.543 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 13 108.573 -15.153 5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 13 107.937 -13.517 4.954 1.00 0.00 H new ATOM 208 N TYR A 14 104.731 -12.139 1.115 1.00 0.00 N ATOM 209 CA TYR A 14 103.649 -11.159 1.419 1.00 0.00 C ATOM 210 C TYR A 14 102.559 -11.827 2.256 1.00 0.00 C ATOM 211 O TYR A 14 101.812 -11.168 2.952 1.00 0.00 O ATOM 212 CB TYR A 14 103.053 -10.640 0.104 1.00 0.00 C ATOM 213 CG TYR A 14 102.866 -9.141 0.177 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.902 -8.328 0.651 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.658 -8.568 -0.234 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.728 -6.940 0.715 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.483 -7.181 -0.170 1.00 0.00 C ATOM 218 CZ TYR A 14 102.519 -6.366 0.304 1.00 0.00 C ATOM 219 OH TYR A 14 102.347 -4.998 0.367 1.00 0.00 O ATOM 0 H TYR A 14 105.024 -12.172 0.139 1.00 0.00 H new ATOM 0 HA TYR A 14 104.064 -10.325 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 14 103.711 -10.893 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.096 -11.125 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.835 -8.771 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 14 100.860 -9.196 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.527 -6.312 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.550 -6.739 -0.486 1.00 0.00 H new ATOM 0 HH TYR A 14 101.452 -4.766 0.043 1.00 0.00 H new ATOM 229 N ASP A 15 102.458 -13.123 2.205 1.00 0.00 N ATOM 230 CA ASP A 15 101.411 -13.803 3.014 1.00 0.00 C ATOM 231 C ASP A 15 101.808 -13.743 4.485 1.00 0.00 C ATOM 232 O ASP A 15 101.022 -13.376 5.336 1.00 0.00 O ATOM 233 CB ASP A 15 101.272 -15.261 2.566 1.00 0.00 C ATOM 234 CG ASP A 15 101.678 -15.385 1.097 1.00 0.00 C ATOM 235 OD1 ASP A 15 102.868 -15.361 0.828 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.793 -15.502 0.265 1.00 0.00 O ATOM 0 H ASP A 15 103.049 -13.737 1.644 1.00 0.00 H new ATOM 0 HA ASP A 15 100.453 -13.303 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.900 -15.903 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.244 -15.597 2.700 1.00 0.00 H new ATOM 241 N LYS A 16 103.026 -14.083 4.791 1.00 0.00 N ATOM 242 CA LYS A 16 103.470 -14.022 6.208 1.00 0.00 C ATOM 243 C LYS A 16 103.326 -12.582 6.688 1.00 0.00 C ATOM 244 O LYS A 16 102.961 -12.321 7.817 1.00 0.00 O ATOM 245 CB LYS A 16 104.932 -14.461 6.313 1.00 0.00 C ATOM 246 CG LYS A 16 105.168 -15.673 5.410 1.00 0.00 C ATOM 247 CD LYS A 16 104.114 -16.742 5.706 1.00 0.00 C ATOM 248 CE LYS A 16 104.539 -18.066 5.072 1.00 0.00 C ATOM 249 NZ LYS A 16 104.406 -17.974 3.590 1.00 0.00 N ATOM 0 H LYS A 16 103.731 -14.399 4.125 1.00 0.00 H new ATOM 0 HA LYS A 16 102.863 -14.687 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.590 -13.643 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.174 -14.711 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 105.116 -15.375 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.167 -16.076 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.996 -16.863 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.146 -16.432 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.570 -18.296 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 16 103.921 -18.879 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 104.646 -18.891 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 103.427 -17.723 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 105.052 -17.243 3.228 1.00 0.00 H new ATOM 263 N PHE A 17 103.597 -11.642 5.825 1.00 0.00 N ATOM 264 CA PHE A 17 103.464 -10.216 6.207 1.00 0.00 C ATOM 265 C PHE A 17 101.992 -9.896 6.414 1.00 0.00 C ATOM 266 O PHE A 17 101.553 -9.571 7.501 1.00 0.00 O ATOM 267 CB PHE A 17 104.003 -9.372 5.062 1.00 0.00 C ATOM 268 CG PHE A 17 104.147 -7.938 5.496 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.162 -7.588 6.382 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.274 -6.960 5.004 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.315 -6.256 6.782 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.422 -5.627 5.405 1.00 0.00 C ATOM 273 CZ PHE A 17 104.444 -5.276 6.295 1.00 0.00 C ATOM 0 H PHE A 17 103.906 -11.806 4.867 1.00 0.00 H new ATOM 0 HA PHE A 17 104.014 -10.009 7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 17 104.969 -9.760 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.331 -9.435 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.832 -8.345 6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.488 -7.234 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.105 -5.985 7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.749 -4.871 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.560 -4.248 6.606 1.00 0.00 H new ATOM 283 N MET A 18 101.231 -9.994 5.370 1.00 0.00 N ATOM 284 CA MET A 18 99.775 -9.703 5.480 1.00 0.00 C ATOM 285 C MET A 18 99.157 -10.599 6.554 1.00 0.00 C ATOM 286 O MET A 18 98.132 -10.282 7.124 1.00 0.00 O ATOM 287 CB MET A 18 99.097 -9.969 4.134 1.00 0.00 C ATOM 288 CG MET A 18 99.660 -9.015 3.079 1.00 0.00 C ATOM 289 SD MET A 18 98.630 -7.528 2.998 1.00 0.00 S ATOM 290 CE MET A 18 99.852 -6.366 3.654 1.00 0.00 C ATOM 0 H MET A 18 101.551 -10.264 4.440 1.00 0.00 H new ATOM 0 HA MET A 18 99.632 -8.658 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.263 -11.003 3.830 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.019 -9.832 4.225 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.687 -8.746 3.328 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.686 -9.506 2.106 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.343 -5.482 4.040 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.412 -6.843 4.459 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.538 -6.072 2.859 1.00 0.00 H new ATOM 300 N GLU A 19 99.772 -11.714 6.844 1.00 0.00 N ATOM 301 CA GLU A 19 99.212 -12.613 7.888 1.00 0.00 C ATOM 302 C GLU A 19 99.647 -12.114 9.263 1.00 0.00 C ATOM 303 O GLU A 19 99.005 -12.376 10.261 1.00 0.00 O ATOM 304 CB GLU A 19 99.727 -14.037 7.674 1.00 0.00 C ATOM 305 CG GLU A 19 99.376 -14.896 8.890 1.00 0.00 C ATOM 306 CD GLU A 19 97.899 -14.708 9.240 1.00 0.00 C ATOM 307 OE1 GLU A 19 97.608 -14.492 10.405 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.083 -14.783 8.336 1.00 0.00 O ATOM 0 H GLU A 19 100.633 -12.038 6.404 1.00 0.00 H new ATOM 0 HA GLU A 19 98.124 -12.613 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.284 -14.464 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.806 -14.026 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.579 -15.946 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 19 100.000 -14.616 9.739 1.00 0.00 H new ATOM 315 N LYS A 20 100.730 -11.389 9.326 1.00 0.00 N ATOM 316 CA LYS A 20 101.193 -10.871 10.640 1.00 0.00 C ATOM 317 C LYS A 20 100.289 -9.720 11.066 1.00 0.00 C ATOM 318 O LYS A 20 99.870 -9.636 12.204 1.00 0.00 O ATOM 319 CB LYS A 20 102.640 -10.385 10.526 1.00 0.00 C ATOM 320 CG LYS A 20 103.366 -10.624 11.854 1.00 0.00 C ATOM 321 CD LYS A 20 103.847 -12.076 11.921 1.00 0.00 C ATOM 322 CE LYS A 20 104.731 -12.266 13.154 1.00 0.00 C ATOM 323 NZ LYS A 20 106.118 -11.814 12.844 1.00 0.00 N ATOM 0 H LYS A 20 101.311 -11.135 8.527 1.00 0.00 H new ATOM 0 HA LYS A 20 101.148 -11.665 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.150 -10.913 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.660 -9.325 10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.214 -9.945 11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.698 -10.413 12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.993 -12.751 11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.405 -12.327 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.331 -11.697 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.737 -13.314 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.716 -11.927 13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.504 -12.386 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 106.102 -10.813 12.562 1.00 0.00 H new ATOM 337 N MET A 21 99.968 -8.837 10.161 1.00 0.00 N ATOM 338 CA MET A 21 99.074 -7.705 10.529 1.00 0.00 C ATOM 339 C MET A 21 97.750 -8.274 11.041 1.00 0.00 C ATOM 340 O MET A 21 96.952 -7.579 11.639 1.00 0.00 O ATOM 341 CB MET A 21 98.811 -6.811 9.306 1.00 0.00 C ATOM 342 CG MET A 21 99.498 -7.393 8.068 1.00 0.00 C ATOM 343 SD MET A 21 101.276 -7.071 8.161 1.00 0.00 S ATOM 344 CE MET A 21 101.243 -5.426 7.408 1.00 0.00 C ATOM 0 H MET A 21 100.283 -8.850 9.191 1.00 0.00 H new ATOM 0 HA MET A 21 99.551 -7.103 11.302 1.00 0.00 H new ATOM 0 HB2 MET A 21 97.738 -6.729 9.131 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.181 -5.804 9.496 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.314 -8.466 8.007 1.00 0.00 H new ATOM 0 HG3 MET A 21 99.083 -6.946 7.164 1.00 0.00 H new ATOM 0 HE1 MET A 21 102.189 -4.919 7.599 1.00 0.00 H new ATOM 0 HE2 MET A 21 101.093 -5.521 6.333 1.00 0.00 H new ATOM 0 HE3 MET A 21 100.427 -4.845 7.838 1.00 0.00 H new ATOM 354 N GLY A 22 97.509 -9.538 10.809 1.00 0.00 N ATOM 355 CA GLY A 22 96.237 -10.153 11.282 1.00 0.00 C ATOM 356 C GLY A 22 95.117 -9.823 10.295 1.00 0.00 C ATOM 357 O GLY A 22 93.963 -9.721 10.661 1.00 0.00 O ATOM 0 H GLY A 22 98.138 -10.169 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.353 -11.233 11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.985 -9.778 12.274 1.00 0.00 H new ATOM 361 N VAL A 23 95.451 -9.653 9.046 1.00 0.00 N ATOM 362 CA VAL A 23 94.409 -9.327 8.034 1.00 0.00 C ATOM 363 C VAL A 23 93.667 -10.605 7.637 1.00 0.00 C ATOM 364 O VAL A 23 94.254 -11.660 7.506 1.00 0.00 O ATOM 365 CB VAL A 23 95.075 -8.716 6.798 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.058 -7.868 6.033 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.246 -7.831 7.232 1.00 0.00 C ATOM 0 H VAL A 23 96.401 -9.726 8.683 1.00 0.00 H new ATOM 0 HA VAL A 23 93.701 -8.613 8.455 1.00 0.00 H new ATOM 0 HB VAL A 23 95.440 -9.516 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 23 94.534 -7.434 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.223 -8.495 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 23 93.691 -7.070 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 23 96.720 -7.397 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.879 -7.033 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 23 96.974 -8.432 7.776 1.00 0.00 H new ATOM 377 N ASN A 24 92.379 -10.519 7.446 1.00 0.00 N ATOM 378 CA ASN A 24 91.599 -11.729 7.059 1.00 0.00 C ATOM 379 C ASN A 24 92.367 -12.507 5.988 1.00 0.00 C ATOM 380 O ASN A 24 93.334 -12.024 5.432 1.00 0.00 O ATOM 381 CB ASN A 24 90.239 -11.305 6.504 1.00 0.00 C ATOM 382 CG ASN A 24 89.310 -10.930 7.661 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.782 -10.240 8.662 1.00 0.00 O flip ATOM 384 ND2 ASN A 24 88.143 -11.269 7.653 1.00 0.00 N flip ATOM 0 H ASN A 24 91.833 -9.663 7.541 1.00 0.00 H new ATOM 0 HA ASN A 24 91.451 -12.362 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.358 -10.457 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.803 -12.117 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 24 87.774 -11.809 6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 24 87.532 -11.014 8.429 1.00 0.00 H new ATOM 391 N ILE A 25 91.949 -13.708 5.695 1.00 0.00 N ATOM 392 CA ILE A 25 92.662 -14.510 4.663 1.00 0.00 C ATOM 393 C ILE A 25 92.241 -14.034 3.278 1.00 0.00 C ATOM 394 O ILE A 25 92.722 -14.495 2.262 1.00 0.00 O ATOM 395 CB ILE A 25 92.315 -15.992 4.844 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.280 -16.621 5.857 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.424 -16.723 3.504 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.600 -16.983 5.170 1.00 0.00 C ATOM 0 H ILE A 25 91.146 -14.167 6.125 1.00 0.00 H new ATOM 0 HA ILE A 25 93.739 -14.383 4.770 1.00 0.00 H new ATOM 0 HB ILE A 25 91.293 -16.079 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.466 -15.925 6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.831 -17.513 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.176 -17.775 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.732 -16.278 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.442 -16.637 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.278 -17.429 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.409 -17.696 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.053 -16.083 4.755 1.00 0.00 H new ATOM 410 N VAL A 26 91.352 -13.103 3.250 1.00 0.00 N ATOM 411 CA VAL A 26 90.871 -12.557 1.951 1.00 0.00 C ATOM 412 C VAL A 26 91.868 -11.523 1.437 1.00 0.00 C ATOM 413 O VAL A 26 92.437 -11.667 0.373 1.00 0.00 O ATOM 414 CB VAL A 26 89.505 -11.897 2.147 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.025 -11.314 0.817 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.499 -12.941 2.638 1.00 0.00 C ATOM 0 H VAL A 26 90.926 -12.685 4.077 1.00 0.00 H new ATOM 0 HA VAL A 26 90.780 -13.367 1.227 1.00 0.00 H new ATOM 0 HB VAL A 26 89.590 -11.099 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.052 -10.844 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.741 -10.570 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.940 -12.112 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.526 -12.471 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.414 -13.739 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.840 -13.357 3.586 1.00 0.00 H new ATOM 426 N LYS A 27 92.092 -10.486 2.189 1.00 0.00 N ATOM 427 CA LYS A 27 93.061 -9.446 1.749 1.00 0.00 C ATOM 428 C LYS A 27 94.446 -10.086 1.633 1.00 0.00 C ATOM 429 O LYS A 27 95.299 -9.621 0.903 1.00 0.00 O ATOM 430 CB LYS A 27 93.094 -8.308 2.777 1.00 0.00 C ATOM 431 CG LYS A 27 92.864 -6.967 2.074 1.00 0.00 C ATOM 432 CD LYS A 27 91.383 -6.824 1.717 1.00 0.00 C ATOM 433 CE LYS A 27 91.233 -5.863 0.536 1.00 0.00 C ATOM 434 NZ LYS A 27 92.244 -4.773 0.650 1.00 0.00 N ATOM 0 H LYS A 27 91.647 -10.312 3.090 1.00 0.00 H new ATOM 0 HA LYS A 27 92.762 -9.039 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.327 -8.468 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.054 -8.299 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 27 93.173 -6.147 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 27 93.474 -6.908 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.964 -7.797 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.825 -6.451 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 27 91.366 -6.400 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.228 -5.441 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 91.905 -3.930 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 92.391 -4.539 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.143 -5.088 0.233 1.00 0.00 H new ATOM 448 N ARG A 28 94.668 -11.156 2.346 1.00 0.00 N ATOM 449 CA ARG A 28 95.989 -11.838 2.280 1.00 0.00 C ATOM 450 C ARG A 28 96.112 -12.568 0.942 1.00 0.00 C ATOM 451 O ARG A 28 97.113 -12.468 0.259 1.00 0.00 O ATOM 452 CB ARG A 28 96.096 -12.849 3.425 1.00 0.00 C ATOM 453 CG ARG A 28 97.410 -13.625 3.308 1.00 0.00 C ATOM 454 CD ARG A 28 97.536 -14.590 4.490 1.00 0.00 C ATOM 455 NE ARG A 28 98.927 -15.118 4.555 1.00 0.00 N ATOM 456 CZ ARG A 28 99.155 -16.297 5.068 1.00 0.00 C ATOM 457 NH1 ARG A 28 100.374 -16.759 5.126 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.164 -17.016 5.522 1.00 0.00 N ATOM 0 H ARG A 28 93.989 -11.588 2.973 1.00 0.00 H new ATOM 0 HA ARG A 28 96.788 -11.102 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.052 -12.333 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.252 -13.538 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.437 -14.177 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.253 -12.935 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.286 -14.078 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.829 -15.412 4.379 1.00 0.00 H new ATOM 0 HE ARG A 28 99.702 -14.559 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 28 101.149 -16.199 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 28 100.552 -17.680 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 28 97.210 -16.657 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.343 -17.937 5.922 1.00 0.00 H new ATOM 472 N LYS A 29 95.102 -13.302 0.560 1.00 0.00 N ATOM 473 CA LYS A 29 95.164 -14.036 -0.735 1.00 0.00 C ATOM 474 C LYS A 29 95.125 -13.039 -1.894 1.00 0.00 C ATOM 475 O LYS A 29 95.717 -13.256 -2.933 1.00 0.00 O ATOM 476 CB LYS A 29 93.969 -14.985 -0.839 1.00 0.00 C ATOM 477 CG LYS A 29 94.283 -16.286 -0.099 1.00 0.00 C ATOM 478 CD LYS A 29 93.115 -17.260 -0.261 1.00 0.00 C ATOM 479 CE LYS A 29 93.618 -18.695 -0.092 1.00 0.00 C ATOM 480 NZ LYS A 29 94.206 -19.169 -1.377 1.00 0.00 N ATOM 0 H LYS A 29 94.238 -13.425 1.088 1.00 0.00 H new ATOM 0 HA LYS A 29 96.090 -14.608 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.082 -14.517 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.747 -15.194 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 29 95.197 -16.729 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.457 -16.083 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.343 -17.045 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 92.659 -17.137 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 29 94.365 -18.739 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.797 -19.347 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 94.740 -20.046 -1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.444 -19.352 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.844 -18.441 -1.756 1.00 0.00 H new ATOM 494 N LEU A 30 94.427 -11.949 -1.729 1.00 0.00 N ATOM 495 CA LEU A 30 94.346 -10.942 -2.825 1.00 0.00 C ATOM 496 C LEU A 30 95.522 -9.982 -2.735 1.00 0.00 C ATOM 497 O LEU A 30 95.799 -9.220 -3.640 1.00 0.00 O ATOM 498 CB LEU A 30 93.030 -10.165 -2.723 1.00 0.00 C ATOM 499 CG LEU A 30 91.856 -11.106 -3.001 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.604 -10.582 -2.292 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.597 -11.170 -4.508 1.00 0.00 C ATOM 0 H LEU A 30 93.909 -11.712 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 30 94.381 -11.458 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.931 -9.727 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 30 93.026 -9.341 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 30 92.095 -12.103 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.767 -11.252 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.786 -10.536 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.366 -9.585 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.761 -11.841 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.358 -10.173 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 92.487 -11.542 -5.015 1.00 0.00 H new ATOM 513 N ALA A 31 96.200 -10.019 -1.644 1.00 0.00 N ATOM 514 CA ALA A 31 97.369 -9.115 -1.448 1.00 0.00 C ATOM 515 C ALA A 31 98.574 -9.646 -2.229 1.00 0.00 C ATOM 516 O ALA A 31 99.186 -8.935 -3.000 1.00 0.00 O ATOM 517 CB ALA A 31 97.717 -9.046 0.041 1.00 0.00 C ATOM 0 H ALA A 31 96.001 -10.641 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 31 97.116 -8.119 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.572 -8.385 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.862 -8.660 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.965 -10.044 0.403 1.00 0.00 H new ATOM 523 N ALA A 32 98.921 -10.889 -2.032 1.00 0.00 N ATOM 524 CA ALA A 32 100.091 -11.461 -2.760 1.00 0.00 C ATOM 525 C ALA A 32 100.081 -10.978 -4.213 1.00 0.00 C ATOM 526 O ALA A 32 101.113 -10.864 -4.846 1.00 0.00 O ATOM 527 CB ALA A 32 100.010 -12.989 -2.732 1.00 0.00 C ATOM 0 H ALA A 32 98.446 -11.533 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 32 101.012 -11.134 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.864 -13.408 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.020 -13.335 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.088 -13.313 -3.214 1.00 0.00 H new ATOM 533 N HIS A 33 98.926 -10.692 -4.746 1.00 0.00 N ATOM 534 CA HIS A 33 98.853 -10.215 -6.156 1.00 0.00 C ATOM 535 C HIS A 33 99.332 -8.764 -6.230 1.00 0.00 C ATOM 536 O HIS A 33 98.708 -7.925 -6.850 1.00 0.00 O ATOM 537 CB HIS A 33 97.407 -10.302 -6.648 1.00 0.00 C ATOM 538 CG HIS A 33 96.876 -11.688 -6.401 1.00 0.00 C ATOM 539 ND1 HIS A 33 95.519 -11.978 -6.439 1.00 0.00 N ATOM 540 CD2 HIS A 33 97.505 -12.874 -6.113 1.00 0.00 C ATOM 541 CE1 HIS A 33 95.377 -13.291 -6.178 1.00 0.00 C ATOM 542 NE2 HIS A 33 96.557 -13.881 -5.974 1.00 0.00 N ATOM 0 H HIS A 33 98.029 -10.768 -4.266 1.00 0.00 H new ATOM 0 HA HIS A 33 99.489 -10.838 -6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.791 -9.567 -6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.358 -10.066 -7.711 1.00 0.00 H new ATOM 0 HD2 HIS A 33 98.572 -13.004 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.427 -13.803 -6.139 1.00 0.00 H new ATOM 0 HE2 HIS A 33 96.727 -14.864 -5.761 1.00 0.00 H new ATOM 550 N ASP A 34 100.434 -8.460 -5.601 1.00 0.00 N ATOM 551 CA ASP A 34 100.949 -7.061 -5.634 1.00 0.00 C ATOM 552 C ASP A 34 101.376 -6.703 -7.059 1.00 0.00 C ATOM 553 O ASP A 34 102.300 -7.272 -7.605 1.00 0.00 O ATOM 554 CB ASP A 34 102.150 -6.938 -4.695 1.00 0.00 C ATOM 555 CG ASP A 34 103.073 -8.144 -4.881 1.00 0.00 C ATOM 556 OD1 ASP A 34 103.076 -8.701 -5.966 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.760 -8.491 -3.934 1.00 0.00 O ATOM 0 H ASP A 34 101.000 -9.119 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 34 100.163 -6.379 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 34 102.693 -6.016 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 34 101.811 -6.883 -3.660 1.00 0.00 H new ATOM 562 N ASN A 35 100.706 -5.762 -7.666 1.00 0.00 N ATOM 563 CA ASN A 35 101.063 -5.355 -9.053 1.00 0.00 C ATOM 564 C ASN A 35 100.769 -3.862 -9.227 1.00 0.00 C ATOM 565 O ASN A 35 100.206 -3.442 -10.219 1.00 0.00 O ATOM 566 CB ASN A 35 100.228 -6.160 -10.052 1.00 0.00 C ATOM 567 CG ASN A 35 100.879 -7.525 -10.281 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.333 -8.542 -9.902 1.00 0.00 O ATOM 569 ND2 ASN A 35 102.032 -7.591 -10.888 1.00 0.00 N ATOM 0 H ASN A 35 99.921 -5.255 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 35 102.121 -5.545 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.214 -6.288 -9.674 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.150 -5.620 -10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.475 -8.496 -11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.490 -6.737 -11.206 1.00 0.00 H new ATOM 576 N LEU A 36 101.118 -3.059 -8.258 1.00 0.00 N ATOM 577 CA LEU A 36 100.829 -1.601 -8.358 1.00 0.00 C ATOM 578 C LEU A 36 101.976 -0.851 -9.044 1.00 0.00 C ATOM 579 O LEU A 36 103.082 -1.351 -9.181 1.00 0.00 O ATOM 580 CB LEU A 36 100.613 -1.022 -6.953 1.00 0.00 C ATOM 581 CG LEU A 36 101.943 -0.987 -6.185 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.998 0.271 -5.314 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.054 -2.225 -5.291 1.00 0.00 C ATOM 0 H LEU A 36 101.590 -3.350 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 36 99.928 -1.475 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.200 -0.016 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.887 -1.627 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 36 102.769 -0.976 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.942 0.295 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.921 1.155 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.170 0.259 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.998 -2.198 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.227 -2.237 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.016 -3.123 -5.907 1.00 0.00 H new ATOM 595 N LYS A 37 101.707 0.362 -9.455 1.00 0.00 N ATOM 596 CA LYS A 37 102.743 1.201 -10.122 1.00 0.00 C ATOM 597 C LYS A 37 103.147 2.328 -9.165 1.00 0.00 C ATOM 598 O LYS A 37 102.353 2.781 -8.364 1.00 0.00 O ATOM 599 CB LYS A 37 102.156 1.804 -11.407 1.00 0.00 C ATOM 600 CG LYS A 37 102.993 1.379 -12.617 1.00 0.00 C ATOM 601 CD LYS A 37 102.686 2.304 -13.797 1.00 0.00 C ATOM 602 CE LYS A 37 103.505 1.870 -15.015 1.00 0.00 C ATOM 603 NZ LYS A 37 102.847 0.701 -15.664 1.00 0.00 N ATOM 0 H LYS A 37 100.797 0.812 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 37 103.614 0.596 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.125 1.475 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.137 2.891 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.054 1.423 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.770 0.346 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.622 2.271 -14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.923 3.335 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.588 2.694 -15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 104.518 1.608 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 103.573 0.036 -16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.231 0.223 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 102.277 1.027 -16.470 1.00 0.00 H new ATOM 617 N LEU A 38 104.367 2.787 -9.233 1.00 0.00 N ATOM 618 CA LEU A 38 104.793 3.880 -8.313 1.00 0.00 C ATOM 619 C LEU A 38 105.751 4.836 -9.030 1.00 0.00 C ATOM 620 O LEU A 38 106.757 4.430 -9.577 1.00 0.00 O ATOM 621 CB LEU A 38 105.504 3.282 -7.093 1.00 0.00 C ATOM 622 CG LEU A 38 104.882 1.929 -6.736 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.357 0.857 -7.727 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.305 1.538 -5.317 1.00 0.00 C ATOM 0 H LEU A 38 105.082 2.456 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 38 103.908 4.430 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.566 3.159 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.425 3.963 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 38 103.796 2.006 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.910 -0.103 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.055 1.136 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.443 0.776 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.864 0.575 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 106.391 1.465 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.961 2.295 -4.613 1.00 0.00 H new ATOM 636 N THR A 39 105.456 6.109 -9.005 1.00 0.00 N ATOM 637 CA THR A 39 106.357 7.103 -9.655 1.00 0.00 C ATOM 638 C THR A 39 107.158 7.806 -8.560 1.00 0.00 C ATOM 639 O THR A 39 106.613 8.535 -7.756 1.00 0.00 O ATOM 640 CB THR A 39 105.524 8.130 -10.425 1.00 0.00 C ATOM 641 OG1 THR A 39 104.446 7.472 -11.076 1.00 0.00 O ATOM 642 CG2 THR A 39 106.403 8.825 -11.467 1.00 0.00 C ATOM 0 H THR A 39 104.627 6.503 -8.561 1.00 0.00 H new ATOM 0 HA THR A 39 107.029 6.604 -10.353 1.00 0.00 H new ATOM 0 HB THR A 39 105.131 8.873 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.911 8.129 -11.568 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.809 9.556 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.229 9.330 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.798 8.084 -12.162 1.00 0.00 H new ATOM 650 N ILE A 40 108.442 7.571 -8.495 1.00 0.00 N ATOM 651 CA ILE A 40 109.254 8.207 -7.415 1.00 0.00 C ATOM 652 C ILE A 40 110.179 9.287 -7.972 1.00 0.00 C ATOM 653 O ILE A 40 110.756 9.151 -9.034 1.00 0.00 O ATOM 654 CB ILE A 40 110.098 7.141 -6.724 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.176 6.066 -6.145 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.904 7.780 -5.592 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.673 5.153 -7.266 1.00 0.00 C ATOM 0 H ILE A 40 108.961 6.971 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 40 108.568 8.673 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 40 110.780 6.692 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.711 5.479 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.332 6.533 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.507 7.017 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.557 8.551 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.223 8.228 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.017 4.390 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.121 5.744 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.522 4.674 -7.754 1.00 0.00 H new ATOM 669 N THR A 41 110.339 10.352 -7.231 1.00 0.00 N ATOM 670 CA THR A 41 111.237 11.451 -7.658 1.00 0.00 C ATOM 671 C THR A 41 112.075 11.868 -6.450 1.00 0.00 C ATOM 672 O THR A 41 111.658 11.715 -5.319 1.00 0.00 O ATOM 673 CB THR A 41 110.407 12.639 -8.138 1.00 0.00 C ATOM 674 OG1 THR A 41 109.238 12.165 -8.795 1.00 0.00 O ATOM 675 CG2 THR A 41 111.233 13.487 -9.105 1.00 0.00 C ATOM 0 H THR A 41 109.876 10.504 -6.335 1.00 0.00 H new ATOM 0 HA THR A 41 111.879 11.120 -8.474 1.00 0.00 H new ATOM 0 HB THR A 41 110.119 13.250 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.704 12.927 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.638 14.334 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 41 112.126 13.852 -8.597 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.525 12.881 -9.962 1.00 0.00 H new ATOM 683 N GLN A 42 113.252 12.380 -6.666 1.00 0.00 N ATOM 684 CA GLN A 42 114.100 12.784 -5.508 1.00 0.00 C ATOM 685 C GLN A 42 114.729 14.154 -5.772 1.00 0.00 C ATOM 686 O GLN A 42 115.118 14.466 -6.881 1.00 0.00 O ATOM 687 CB GLN A 42 115.209 11.746 -5.307 1.00 0.00 C ATOM 688 CG GLN A 42 116.271 12.303 -4.356 1.00 0.00 C ATOM 689 CD GLN A 42 117.323 13.081 -5.153 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.115 13.333 -6.417 1.00 0.00 O flip ATOM 691 NE2 GLN A 42 118.345 13.462 -4.618 1.00 0.00 N flip ATOM 0 H GLN A 42 113.663 12.536 -7.586 1.00 0.00 H new ATOM 0 HA GLN A 42 113.481 12.842 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.790 10.826 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.662 11.493 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.805 12.955 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.745 11.489 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.508 13.265 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 42 119.040 13.979 -5.156 1.00 0.00 H new ATOM 700 N GLU A 43 114.841 14.969 -4.758 1.00 0.00 N ATOM 701 CA GLU A 43 115.456 16.311 -4.946 1.00 0.00 C ATOM 702 C GLU A 43 116.302 16.650 -3.716 1.00 0.00 C ATOM 703 O GLU A 43 115.893 17.403 -2.854 1.00 0.00 O ATOM 704 CB GLU A 43 114.358 17.363 -5.120 1.00 0.00 C ATOM 705 CG GLU A 43 113.950 17.437 -6.593 1.00 0.00 C ATOM 706 CD GLU A 43 114.929 18.340 -7.348 1.00 0.00 C ATOM 707 OE1 GLU A 43 114.491 19.018 -8.264 1.00 0.00 O ATOM 708 OE2 GLU A 43 116.097 18.337 -6.999 1.00 0.00 O ATOM 0 H GLU A 43 114.533 14.762 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 43 116.086 16.303 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.495 17.108 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.715 18.336 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.947 16.439 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.936 17.827 -6.682 1.00 0.00 H new ATOM 715 N GLY A 44 117.483 16.101 -3.635 1.00 0.00 N ATOM 716 CA GLY A 44 118.366 16.388 -2.469 1.00 0.00 C ATOM 717 C GLY A 44 117.616 16.129 -1.160 1.00 0.00 C ATOM 718 O GLY A 44 117.668 15.049 -0.606 1.00 0.00 O ATOM 0 H GLY A 44 117.876 15.464 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 44 119.257 15.762 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.702 17.424 -2.505 1.00 0.00 H new ATOM 722 N ASN A 45 116.933 17.120 -0.653 1.00 0.00 N ATOM 723 CA ASN A 45 116.190 16.951 0.632 1.00 0.00 C ATOM 724 C ASN A 45 114.685 17.046 0.382 1.00 0.00 C ATOM 725 O ASN A 45 113.929 17.447 1.243 1.00 0.00 O ATOM 726 CB ASN A 45 116.619 18.037 1.626 1.00 0.00 C ATOM 727 CG ASN A 45 117.723 18.896 1.007 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.783 18.402 0.682 1.00 0.00 O ATOM 729 ND2 ASN A 45 117.515 20.173 0.831 1.00 0.00 N ATOM 0 H ASN A 45 116.857 18.045 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 45 116.420 15.970 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.765 18.660 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.976 17.579 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.244 20.757 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 45 116.624 20.587 1.104 1.00 0.00 H new ATOM 736 N LYS A 46 114.240 16.673 -0.783 1.00 0.00 N ATOM 737 CA LYS A 46 112.798 16.730 -1.080 1.00 0.00 C ATOM 738 C LYS A 46 112.457 15.538 -1.957 1.00 0.00 C ATOM 739 O LYS A 46 112.845 15.450 -3.104 1.00 0.00 O ATOM 740 CB LYS A 46 112.467 18.031 -1.819 1.00 0.00 C ATOM 741 CG LYS A 46 112.367 19.189 -0.817 1.00 0.00 C ATOM 742 CD LYS A 46 113.535 20.157 -1.031 1.00 0.00 C ATOM 743 CE LYS A 46 113.402 21.339 -0.068 1.00 0.00 C ATOM 744 NZ LYS A 46 113.047 20.837 1.290 1.00 0.00 N ATOM 0 H LYS A 46 114.825 16.329 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 46 112.219 16.703 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 46 113.237 18.245 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.526 17.924 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 46 111.420 19.713 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 46 112.383 18.803 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 46 114.482 19.643 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.542 20.513 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 46 114.338 21.896 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 46 112.636 22.028 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 113.345 21.531 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 112.018 20.697 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 113.530 19.932 1.463 1.00 0.00 H new ATOM 758 N PHE A 47 111.737 14.622 -1.408 1.00 0.00 N ATOM 759 CA PHE A 47 111.350 13.405 -2.170 1.00 0.00 C ATOM 760 C PHE A 47 109.887 13.519 -2.583 1.00 0.00 C ATOM 761 O PHE A 47 109.137 14.300 -2.032 1.00 0.00 O ATOM 762 CB PHE A 47 111.533 12.169 -1.281 1.00 0.00 C ATOM 763 CG PHE A 47 112.890 11.555 -1.531 1.00 0.00 C ATOM 764 CD1 PHE A 47 114.032 12.126 -0.957 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.005 10.414 -2.334 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.290 11.554 -1.186 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.262 9.844 -2.563 1.00 0.00 C ATOM 768 CZ PHE A 47 115.405 10.413 -1.988 1.00 0.00 C ATOM 0 H PHE A 47 111.390 14.657 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 47 111.977 13.311 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.437 12.447 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.750 11.440 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.943 13.007 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.124 9.974 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.172 11.994 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.351 8.965 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.375 9.971 -2.163 1.00 0.00 H new ATOM 778 N THR A 48 109.468 12.741 -3.537 1.00 0.00 N ATOM 779 CA THR A 48 108.056 12.800 -3.964 1.00 0.00 C ATOM 780 C THR A 48 107.681 11.446 -4.558 1.00 0.00 C ATOM 781 O THR A 48 108.035 11.123 -5.673 1.00 0.00 O ATOM 782 CB THR A 48 107.895 13.885 -5.029 1.00 0.00 C ATOM 783 OG1 THR A 48 108.433 15.108 -4.545 1.00 0.00 O ATOM 784 CG2 THR A 48 106.411 14.071 -5.363 1.00 0.00 C ATOM 0 H THR A 48 110.047 12.067 -4.038 1.00 0.00 H new ATOM 0 HA THR A 48 107.412 13.032 -3.116 1.00 0.00 H new ATOM 0 HB THR A 48 108.428 13.585 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.331 15.803 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 48 106.303 14.845 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 48 106.003 13.133 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.870 14.367 -4.464 1.00 0.00 H new ATOM 792 N VAL A 49 106.973 10.654 -3.814 1.00 0.00 N ATOM 793 CA VAL A 49 106.572 9.313 -4.317 1.00 0.00 C ATOM 794 C VAL A 49 105.080 9.314 -4.646 1.00 0.00 C ATOM 795 O VAL A 49 104.256 9.716 -3.848 1.00 0.00 O ATOM 796 CB VAL A 49 106.870 8.259 -3.249 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.420 8.773 -1.880 1.00 0.00 C ATOM 798 CG2 VAL A 49 106.121 6.968 -3.585 1.00 0.00 C ATOM 0 H VAL A 49 106.651 10.876 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 49 107.135 9.078 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 49 107.942 8.061 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.633 8.021 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.957 9.691 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.349 8.974 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.333 6.216 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.049 7.166 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.447 6.601 -4.558 1.00 0.00 H new ATOM 808 N LYS A 50 104.727 8.866 -5.821 1.00 0.00 N ATOM 809 CA LYS A 50 103.290 8.839 -6.210 1.00 0.00 C ATOM 810 C LYS A 50 102.867 7.396 -6.491 1.00 0.00 C ATOM 811 O LYS A 50 103.120 6.861 -7.551 1.00 0.00 O ATOM 812 CB LYS A 50 103.089 9.683 -7.469 1.00 0.00 C ATOM 813 CG LYS A 50 101.636 10.156 -7.541 1.00 0.00 C ATOM 814 CD LYS A 50 101.446 11.038 -8.778 1.00 0.00 C ATOM 815 CE LYS A 50 102.341 12.274 -8.669 1.00 0.00 C ATOM 816 NZ LYS A 50 101.729 13.399 -9.431 1.00 0.00 N ATOM 0 H LYS A 50 105.374 8.517 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 50 102.685 9.245 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.761 10.541 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.336 9.098 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.965 9.298 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.379 10.714 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.693 10.476 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.402 11.339 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 50 102.466 12.555 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 50 103.334 12.053 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 102.337 14.240 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.632 13.129 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.791 13.615 -9.038 1.00 0.00 H new ATOM 830 N GLU A 51 102.217 6.764 -5.551 1.00 0.00 N ATOM 831 CA GLU A 51 101.774 5.361 -5.772 1.00 0.00 C ATOM 832 C GLU A 51 100.581 5.365 -6.727 1.00 0.00 C ATOM 833 O GLU A 51 99.914 6.367 -6.892 1.00 0.00 O ATOM 834 CB GLU A 51 101.362 4.735 -4.439 1.00 0.00 C ATOM 835 CG GLU A 51 102.605 4.513 -3.574 1.00 0.00 C ATOM 836 CD GLU A 51 102.182 4.282 -2.122 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.724 3.192 -1.826 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.324 5.200 -1.331 1.00 0.00 O ATOM 0 H GLU A 51 101.975 7.159 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 51 102.590 4.779 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.657 5.386 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.852 3.787 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.168 3.655 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.265 5.378 -3.638 1.00 0.00 H new ATOM 845 N SER A 52 100.293 4.255 -7.347 1.00 0.00 N ATOM 846 CA SER A 52 99.142 4.208 -8.276 1.00 0.00 C ATOM 847 C SER A 52 98.723 2.762 -8.484 1.00 0.00 C ATOM 848 O SER A 52 99.374 1.994 -9.164 1.00 0.00 O ATOM 849 CB SER A 52 99.542 4.823 -9.617 1.00 0.00 C ATOM 850 OG SER A 52 100.361 5.961 -9.387 1.00 0.00 O ATOM 0 H SER A 52 100.808 3.380 -7.247 1.00 0.00 H new ATOM 0 HA SER A 52 98.310 4.772 -7.855 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.079 4.091 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.653 5.108 -10.179 1.00 0.00 H new ATOM 0 HG SER A 52 100.030 6.449 -8.604 1.00 0.00 H new ATOM 856 N SER A 53 97.622 2.406 -7.908 1.00 0.00 N ATOM 857 CA SER A 53 97.097 1.029 -8.054 1.00 0.00 C ATOM 858 C SER A 53 95.633 1.122 -8.478 1.00 0.00 C ATOM 859 O SER A 53 94.912 2.006 -8.059 1.00 0.00 O ATOM 860 CB SER A 53 97.203 0.294 -6.714 1.00 0.00 C ATOM 861 OG SER A 53 97.468 1.235 -5.683 1.00 0.00 O ATOM 0 H SER A 53 97.050 3.022 -7.330 1.00 0.00 H new ATOM 0 HA SER A 53 97.671 0.481 -8.801 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.276 -0.241 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.998 -0.450 -6.756 1.00 0.00 H new ATOM 0 HG SER A 53 97.535 0.769 -4.824 1.00 0.00 H new ATOM 867 N ALA A 54 95.181 0.224 -9.304 1.00 0.00 N ATOM 868 CA ALA A 54 93.761 0.277 -9.744 1.00 0.00 C ATOM 869 C ALA A 54 92.847 0.190 -8.521 1.00 0.00 C ATOM 870 O ALA A 54 91.647 0.049 -8.643 1.00 0.00 O ATOM 871 CB ALA A 54 93.473 -0.897 -10.682 1.00 0.00 C ATOM 0 H ALA A 54 95.731 -0.542 -9.693 1.00 0.00 H new ATOM 0 HA ALA A 54 93.577 1.214 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.433 -0.858 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.125 -0.835 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.656 -1.835 -10.158 1.00 0.00 H new ATOM 877 N PHE A 55 93.407 0.249 -7.338 1.00 0.00 N ATOM 878 CA PHE A 55 92.569 0.145 -6.113 1.00 0.00 C ATOM 879 C PHE A 55 92.603 1.446 -5.301 1.00 0.00 C ATOM 880 O PHE A 55 91.730 1.686 -4.492 1.00 0.00 O ATOM 881 CB PHE A 55 93.093 -1.002 -5.246 1.00 0.00 C ATOM 882 CG PHE A 55 93.666 -2.081 -6.133 1.00 0.00 C ATOM 883 CD1 PHE A 55 92.967 -2.495 -7.273 1.00 0.00 C ATOM 884 CD2 PHE A 55 94.898 -2.667 -5.816 1.00 0.00 C ATOM 885 CE1 PHE A 55 93.499 -3.495 -8.096 1.00 0.00 C ATOM 886 CE2 PHE A 55 95.429 -3.668 -6.639 1.00 0.00 C ATOM 887 CZ PHE A 55 94.730 -4.081 -7.779 1.00 0.00 C ATOM 0 H PHE A 55 94.407 0.365 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 55 91.539 -0.042 -6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.858 -0.635 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 55 92.287 -1.408 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.017 -2.043 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 55 95.438 -2.347 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.960 -3.814 -8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 55 96.378 -4.121 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 55 95.140 -4.852 -8.414 1.00 0.00 H new ATOM 897 N ARG A 56 93.588 2.292 -5.490 1.00 0.00 N ATOM 898 CA ARG A 56 93.627 3.551 -4.695 1.00 0.00 C ATOM 899 C ARG A 56 95.010 4.185 -4.816 1.00 0.00 C ATOM 900 O ARG A 56 95.886 3.956 -4.005 1.00 0.00 O ATOM 901 CB ARG A 56 93.343 3.247 -3.219 1.00 0.00 C ATOM 902 CG ARG A 56 93.926 1.878 -2.845 1.00 0.00 C ATOM 903 CD ARG A 56 94.556 1.950 -1.453 1.00 0.00 C ATOM 904 NE ARG A 56 93.567 2.502 -0.487 1.00 0.00 N ATOM 905 CZ ARG A 56 93.977 3.101 0.597 1.00 0.00 C ATOM 906 NH1 ARG A 56 93.110 3.583 1.445 1.00 0.00 N ATOM 907 NH2 ARG A 56 95.255 3.217 0.833 1.00 0.00 N ATOM 0 H ARG A 56 94.354 2.165 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 56 92.869 4.236 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.779 4.022 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.268 3.256 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 93.142 1.121 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.674 1.578 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 56 94.875 0.957 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 56 95.446 2.579 -1.477 1.00 0.00 H new ATOM 0 HE ARG A 56 92.568 2.412 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 56 92.111 3.492 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 56 93.431 4.051 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 56 95.932 2.840 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 56 95.577 3.685 1.680 1.00 0.00 H new ATOM 921 N ASN A 57 95.213 4.981 -5.823 1.00 0.00 N ATOM 922 CA ASN A 57 96.540 5.635 -6.001 1.00 0.00 C ATOM 923 C ASN A 57 96.821 6.545 -4.804 1.00 0.00 C ATOM 924 O ASN A 57 95.919 7.081 -4.193 1.00 0.00 O ATOM 925 CB ASN A 57 96.530 6.470 -7.283 1.00 0.00 C ATOM 926 CG ASN A 57 96.027 5.616 -8.448 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.776 4.437 -8.289 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.866 6.165 -9.621 1.00 0.00 N ATOM 0 H ASN A 57 94.518 5.209 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 57 97.315 4.872 -6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 57 95.889 7.343 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 57 97.533 6.839 -7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 57 95.530 5.605 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.077 7.154 -9.754 1.00 0.00 H new ATOM 935 N ILE A 58 98.070 6.710 -4.453 1.00 0.00 N ATOM 936 CA ILE A 58 98.412 7.569 -3.286 1.00 0.00 C ATOM 937 C ILE A 58 99.612 8.450 -3.615 1.00 0.00 C ATOM 938 O ILE A 58 100.227 8.333 -4.657 1.00 0.00 O ATOM 939 CB ILE A 58 98.763 6.700 -2.089 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.934 5.418 -2.122 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.468 7.465 -0.793 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.907 4.810 -0.724 1.00 0.00 C ATOM 0 H ILE A 58 98.867 6.285 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 58 97.549 8.194 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 58 99.822 6.447 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.920 5.634 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.362 4.711 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.720 6.840 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 58 99.064 8.377 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.409 7.722 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.317 3.894 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.925 4.582 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.460 5.519 -0.027 1.00 0.00 H new ATOM 954 N GLU A 59 99.945 9.335 -2.721 1.00 0.00 N ATOM 955 CA GLU A 59 101.105 10.240 -2.952 1.00 0.00 C ATOM 956 C GLU A 59 101.680 10.697 -1.608 1.00 0.00 C ATOM 957 O GLU A 59 100.964 10.874 -0.642 1.00 0.00 O ATOM 958 CB GLU A 59 100.646 11.459 -3.756 1.00 0.00 C ATOM 959 CG GLU A 59 99.936 12.451 -2.833 1.00 0.00 C ATOM 960 CD GLU A 59 98.902 13.246 -3.632 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.975 13.219 -4.850 1.00 0.00 O ATOM 962 OE2 GLU A 59 98.054 13.869 -3.013 1.00 0.00 O ATOM 0 H GLU A 59 99.461 9.472 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 59 101.876 9.706 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.503 11.938 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.974 11.147 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.448 11.918 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.662 13.128 -2.383 1.00 0.00 H new ATOM 969 N CYS A 60 102.969 10.888 -1.542 1.00 0.00 N ATOM 970 CA CYS A 60 103.595 11.333 -0.265 1.00 0.00 C ATOM 971 C CYS A 60 104.856 12.147 -0.568 1.00 0.00 C ATOM 972 O CYS A 60 105.851 11.619 -1.023 1.00 0.00 O ATOM 973 CB CYS A 60 103.973 10.107 0.571 1.00 0.00 C ATOM 974 SG CYS A 60 102.535 9.544 1.516 1.00 0.00 S ATOM 0 H CYS A 60 103.617 10.755 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 60 102.888 11.950 0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 60 104.329 9.307 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.791 10.355 1.248 1.00 0.00 H new ATOM 980 N VAL A 61 104.826 13.428 -0.313 1.00 0.00 N ATOM 981 CA VAL A 61 106.020 14.274 -0.580 1.00 0.00 C ATOM 982 C VAL A 61 106.650 14.684 0.749 1.00 0.00 C ATOM 983 O VAL A 61 105.958 14.979 1.704 1.00 0.00 O ATOM 984 CB VAL A 61 105.595 15.530 -1.336 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.679 15.924 -2.338 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.285 15.262 -2.080 1.00 0.00 C ATOM 0 H VAL A 61 104.022 13.924 0.070 1.00 0.00 H new ATOM 0 HA VAL A 61 106.739 13.712 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 61 105.450 16.344 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.370 16.821 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.610 16.121 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.831 15.111 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.983 16.160 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.429 14.445 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.509 14.990 -1.364 1.00 0.00 H new ATOM 996 N PHE A 62 107.950 14.716 0.825 1.00 0.00 N ATOM 997 CA PHE A 62 108.585 15.125 2.114 1.00 0.00 C ATOM 998 C PHE A 62 110.108 14.990 2.036 1.00 0.00 C ATOM 999 O PHE A 62 110.654 14.456 1.092 1.00 0.00 O ATOM 1000 CB PHE A 62 108.054 14.234 3.244 1.00 0.00 C ATOM 1001 CG PHE A 62 107.038 14.998 4.060 1.00 0.00 C ATOM 1002 CD1 PHE A 62 105.735 14.505 4.197 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.399 16.200 4.679 1.00 0.00 C ATOM 1004 CE1 PHE A 62 104.794 15.212 4.954 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.458 16.910 5.436 1.00 0.00 C ATOM 1006 CZ PHE A 62 105.155 16.415 5.573 1.00 0.00 C ATOM 0 H PHE A 62 108.593 14.482 0.068 1.00 0.00 H new ATOM 0 HA PHE A 62 108.338 16.168 2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.599 13.335 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.877 13.909 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 62 105.456 13.578 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.404 16.581 4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 62 103.790 14.830 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.737 17.838 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 62 104.428 16.961 6.156 1.00 0.00 H new ATOM 1016 N GLU A 63 110.790 15.460 3.047 1.00 0.00 N ATOM 1017 CA GLU A 63 112.275 15.356 3.075 1.00 0.00 C ATOM 1018 C GLU A 63 112.659 14.148 3.931 1.00 0.00 C ATOM 1019 O GLU A 63 111.850 13.628 4.670 1.00 0.00 O ATOM 1020 CB GLU A 63 112.862 16.627 3.695 1.00 0.00 C ATOM 1021 CG GLU A 63 114.381 16.482 3.820 1.00 0.00 C ATOM 1022 CD GLU A 63 114.997 17.844 4.143 1.00 0.00 C ATOM 1023 OE1 GLU A 63 114.439 18.841 3.716 1.00 0.00 O ATOM 1024 OE2 GLU A 63 116.017 17.867 4.813 1.00 0.00 O ATOM 0 H GLU A 63 110.376 15.915 3.861 1.00 0.00 H new ATOM 0 HA GLU A 63 112.663 15.238 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.619 17.491 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.421 16.802 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.626 15.765 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.798 16.093 2.891 1.00 0.00 H new ATOM 1031 N LEU A 64 113.877 13.693 3.848 1.00 0.00 N ATOM 1032 CA LEU A 64 114.272 12.515 4.670 1.00 0.00 C ATOM 1033 C LEU A 64 114.622 12.973 6.089 1.00 0.00 C ATOM 1034 O LEU A 64 115.380 13.901 6.285 1.00 0.00 O ATOM 1035 CB LEU A 64 115.478 11.818 4.030 1.00 0.00 C ATOM 1036 CG LEU A 64 116.745 12.651 4.245 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.472 12.179 5.510 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.672 12.483 3.037 1.00 0.00 C ATOM 0 H LEU A 64 114.610 14.080 3.254 1.00 0.00 H new ATOM 0 HA LEU A 64 113.441 11.811 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.607 10.827 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.303 11.678 2.963 1.00 0.00 H new ATOM 0 HG LEU A 64 116.470 13.700 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.372 12.776 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.815 12.295 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.746 11.130 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.575 13.075 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.940 11.432 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 64 117.161 12.822 2.136 1.00 0.00 H new ATOM 1050 N GLY A 65 114.072 12.325 7.083 1.00 0.00 N ATOM 1051 CA GLY A 65 114.374 12.717 8.491 1.00 0.00 C ATOM 1052 C GLY A 65 113.119 13.290 9.160 1.00 0.00 C ATOM 1053 O GLY A 65 112.925 13.153 10.352 1.00 0.00 O ATOM 0 H GLY A 65 113.427 11.542 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.730 11.851 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.174 13.457 8.507 1.00 0.00 H new ATOM 1057 N VAL A 66 112.270 13.939 8.408 1.00 0.00 N ATOM 1058 CA VAL A 66 111.038 14.523 9.013 1.00 0.00 C ATOM 1059 C VAL A 66 109.910 13.487 9.002 1.00 0.00 C ATOM 1060 O VAL A 66 109.467 13.047 7.960 1.00 0.00 O ATOM 1061 CB VAL A 66 110.610 15.754 8.210 1.00 0.00 C ATOM 1062 CG1 VAL A 66 110.331 15.355 6.756 1.00 0.00 C ATOM 1063 CG2 VAL A 66 109.342 16.348 8.830 1.00 0.00 C ATOM 0 H VAL A 66 112.376 14.089 7.405 1.00 0.00 H new ATOM 0 HA VAL A 66 111.247 14.813 10.043 1.00 0.00 H new ATOM 0 HB VAL A 66 111.410 16.495 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 66 110.027 16.235 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 66 111.234 14.933 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.533 14.613 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 66 109.035 17.225 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 66 108.545 15.605 8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 66 109.543 16.638 9.862 1.00 0.00 H new ATOM 1073 N THR A 67 109.440 13.096 10.158 1.00 0.00 N ATOM 1074 CA THR A 67 108.342 12.091 10.222 1.00 0.00 C ATOM 1075 C THR A 67 107.147 12.574 9.416 1.00 0.00 C ATOM 1076 O THR A 67 106.830 13.747 9.372 1.00 0.00 O ATOM 1077 CB THR A 67 107.910 11.898 11.676 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.031 12.076 12.530 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.336 10.491 11.867 1.00 0.00 C ATOM 0 H THR A 67 109.772 13.432 11.062 1.00 0.00 H new ATOM 0 HA THR A 67 108.703 11.148 9.811 1.00 0.00 H new ATOM 0 HB THR A 67 107.143 12.632 11.924 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.755 11.954 13.462 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.030 10.361 12.905 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.472 10.359 11.215 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.096 9.751 11.617 1.00 0.00 H new ATOM 1087 N PHE A 68 106.470 11.658 8.803 1.00 0.00 N ATOM 1088 CA PHE A 68 105.266 12.007 8.009 1.00 0.00 C ATOM 1089 C PHE A 68 104.358 10.788 7.983 1.00 0.00 C ATOM 1090 O PHE A 68 104.600 9.820 8.675 1.00 0.00 O ATOM 1091 CB PHE A 68 105.648 12.401 6.579 1.00 0.00 C ATOM 1092 CG PHE A 68 106.932 11.721 6.178 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.990 10.325 6.074 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.065 12.491 5.901 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.187 9.704 5.690 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.257 11.869 5.521 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.318 10.477 5.415 1.00 0.00 C ATOM 0 H PHE A 68 106.701 10.665 8.817 1.00 0.00 H new ATOM 0 HA PHE A 68 104.760 12.859 8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.850 12.122 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.764 13.483 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.115 9.729 6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.019 13.567 5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.235 8.628 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.132 12.465 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.240 9.998 5.120 1.00 0.00 H new ATOM 1107 N ASN A 69 103.319 10.815 7.202 1.00 0.00 N ATOM 1108 CA ASN A 69 102.413 9.642 7.158 1.00 0.00 C ATOM 1109 C ASN A 69 102.154 9.236 5.708 1.00 0.00 C ATOM 1110 O ASN A 69 102.169 10.050 4.807 1.00 0.00 O ATOM 1111 CB ASN A 69 101.087 9.995 7.834 1.00 0.00 C ATOM 1112 CG ASN A 69 100.270 10.907 6.915 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.802 12.014 6.475 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 99.136 10.608 6.595 1.00 0.00 N flip ATOM 0 H ASN A 69 103.060 11.594 6.596 1.00 0.00 H new ATOM 0 HA ASN A 69 102.881 8.810 7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.526 9.087 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.273 10.493 8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.720 9.742 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.600 11.223 5.982 1.00 0.00 H new ATOM 1121 N CYS A 70 101.908 7.977 5.486 1.00 0.00 N ATOM 1122 CA CYS A 70 101.635 7.496 4.108 1.00 0.00 C ATOM 1123 C CYS A 70 100.797 6.226 4.208 1.00 0.00 C ATOM 1124 O CYS A 70 101.079 5.349 5.002 1.00 0.00 O ATOM 1125 CB CYS A 70 102.954 7.199 3.388 1.00 0.00 C ATOM 1126 SG CYS A 70 102.765 7.539 1.620 1.00 0.00 S ATOM 0 H CYS A 70 101.884 7.256 6.207 1.00 0.00 H new ATOM 0 HA CYS A 70 101.099 8.257 3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.754 7.812 3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.238 6.158 3.541 1.00 0.00 H new ATOM 1132 N ASN A 71 99.757 6.121 3.435 1.00 0.00 N ATOM 1133 CA ASN A 71 98.901 4.910 3.522 1.00 0.00 C ATOM 1134 C ASN A 71 99.419 3.828 2.573 1.00 0.00 C ATOM 1135 O ASN A 71 99.980 4.113 1.534 1.00 0.00 O ATOM 1136 CB ASN A 71 97.462 5.277 3.153 1.00 0.00 C ATOM 1137 CG ASN A 71 97.180 6.720 3.574 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.571 7.140 4.645 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.514 7.502 2.771 1.00 0.00 N ATOM 0 H ASN A 71 99.463 6.817 2.750 1.00 0.00 H new ATOM 0 HA ASN A 71 98.929 4.525 4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 71 97.310 5.164 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.765 4.600 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.321 8.466 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.186 7.149 1.872 1.00 0.00 H new ATOM 1146 N LEU A 72 99.230 2.585 2.926 1.00 0.00 N ATOM 1147 CA LEU A 72 99.705 1.481 2.047 1.00 0.00 C ATOM 1148 C LEU A 72 98.530 0.943 1.228 1.00 0.00 C ATOM 1149 O LEU A 72 97.401 0.921 1.682 1.00 0.00 O ATOM 1150 CB LEU A 72 100.283 0.354 2.909 1.00 0.00 C ATOM 1151 CG LEU A 72 101.643 0.780 3.468 1.00 0.00 C ATOM 1152 CD1 LEU A 72 102.036 -0.153 4.614 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.702 0.706 2.364 1.00 0.00 C ATOM 0 H LEU A 72 98.767 2.288 3.785 1.00 0.00 H new ATOM 0 HA LEU A 72 100.477 1.857 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.600 0.121 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.391 -0.553 2.315 1.00 0.00 H new ATOM 0 HG LEU A 72 101.577 1.804 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 72 103.004 0.149 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.285 -0.097 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.099 -1.177 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.668 1.010 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.769 -0.316 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.423 1.372 1.547 1.00 0.00 H new ATOM 1165 N ALA A 73 98.791 0.510 0.024 1.00 0.00 N ATOM 1166 CA ALA A 73 97.699 -0.026 -0.838 1.00 0.00 C ATOM 1167 C ALA A 73 96.781 -0.927 -0.012 1.00 0.00 C ATOM 1168 O ALA A 73 95.591 -0.999 -0.249 1.00 0.00 O ATOM 1169 CB ALA A 73 98.308 -0.834 -1.985 1.00 0.00 C ATOM 0 H ALA A 73 99.718 0.505 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 73 97.119 0.804 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 97.511 -1.227 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.958 -0.191 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.890 -1.661 -1.579 1.00 0.00 H new ATOM 1175 N ASP A 74 97.318 -1.616 0.955 1.00 0.00 N ATOM 1176 CA ASP A 74 96.466 -2.509 1.789 1.00 0.00 C ATOM 1177 C ASP A 74 95.472 -1.664 2.589 1.00 0.00 C ATOM 1178 O ASP A 74 94.826 -2.142 3.500 1.00 0.00 O ATOM 1179 CB ASP A 74 97.350 -3.307 2.751 1.00 0.00 C ATOM 1180 CG ASP A 74 98.679 -3.637 2.068 1.00 0.00 C ATOM 1181 OD1 ASP A 74 99.632 -2.910 2.292 1.00 0.00 O ATOM 1182 OD2 ASP A 74 98.719 -4.608 1.333 1.00 0.00 O ATOM 0 H ASP A 74 98.307 -1.600 1.204 1.00 0.00 H new ATOM 0 HA ASP A 74 95.920 -3.197 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.529 -2.732 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.844 -4.225 3.049 1.00 0.00 H new ATOM 1187 N GLY A 75 95.346 -0.408 2.254 1.00 0.00 N ATOM 1188 CA GLY A 75 94.395 0.468 2.995 1.00 0.00 C ATOM 1189 C GLY A 75 94.924 0.715 4.407 1.00 0.00 C ATOM 1190 O GLY A 75 94.170 0.945 5.332 1.00 0.00 O ATOM 0 H GLY A 75 95.860 0.048 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.272 1.415 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.412 -0.001 3.040 1.00 0.00 H new ATOM 1194 N THR A 76 96.217 0.668 4.584 1.00 0.00 N ATOM 1195 CA THR A 76 96.795 0.897 5.931 1.00 0.00 C ATOM 1196 C THR A 76 97.296 2.336 6.032 1.00 0.00 C ATOM 1197 O THR A 76 97.500 3.004 5.042 1.00 0.00 O ATOM 1198 CB THR A 76 97.964 -0.055 6.164 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.883 -1.139 5.249 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.926 -0.586 7.598 1.00 0.00 C ATOM 0 H THR A 76 96.897 0.480 3.848 1.00 0.00 H new ATOM 0 HA THR A 76 96.026 0.718 6.683 1.00 0.00 H new ATOM 0 HB THR A 76 98.900 0.481 6.009 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.635 -1.750 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.764 -1.265 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.997 0.248 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.990 -1.119 7.764 1.00 0.00 H new ATOM 1208 N GLU A 77 97.500 2.806 7.226 1.00 0.00 N ATOM 1209 CA GLU A 77 97.995 4.196 7.419 1.00 0.00 C ATOM 1210 C GLU A 77 99.154 4.175 8.416 1.00 0.00 C ATOM 1211 O GLU A 77 98.993 3.774 9.550 1.00 0.00 O ATOM 1212 CB GLU A 77 96.866 5.072 7.966 1.00 0.00 C ATOM 1213 CG GLU A 77 97.324 6.529 8.000 1.00 0.00 C ATOM 1214 CD GLU A 77 96.235 7.394 8.635 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.633 8.175 7.916 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.020 7.260 9.829 1.00 0.00 O ATOM 0 H GLU A 77 97.344 2.282 8.087 1.00 0.00 H new ATOM 0 HA GLU A 77 98.333 4.603 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.979 4.973 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.589 4.743 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.250 6.617 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.536 6.878 6.989 1.00 0.00 H new ATOM 1223 N LEU A 78 100.328 4.588 8.006 1.00 0.00 N ATOM 1224 CA LEU A 78 101.485 4.563 8.955 1.00 0.00 C ATOM 1225 C LEU A 78 102.281 5.867 8.871 1.00 0.00 C ATOM 1226 O LEU A 78 102.167 6.621 7.925 1.00 0.00 O ATOM 1227 CB LEU A 78 102.411 3.394 8.610 1.00 0.00 C ATOM 1228 CG LEU A 78 101.601 2.245 8.007 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.455 2.458 6.498 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.330 0.924 8.266 1.00 0.00 C ATOM 0 H LEU A 78 100.534 4.936 7.070 1.00 0.00 H new ATOM 0 HA LEU A 78 101.096 4.447 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.175 3.721 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 78 102.929 3.053 9.506 1.00 0.00 H new ATOM 0 HG LEU A 78 100.613 2.215 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.878 1.639 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.941 3.401 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.442 2.486 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.756 0.102 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.317 0.957 7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.436 0.772 9.340 1.00 0.00 H new ATOM 1242 N ARG A 79 103.094 6.130 9.862 1.00 0.00 N ATOM 1243 CA ARG A 79 103.913 7.379 9.853 1.00 0.00 C ATOM 1244 C ARG A 79 105.300 7.097 10.434 1.00 0.00 C ATOM 1245 O ARG A 79 105.449 6.330 11.363 1.00 0.00 O ATOM 1246 CB ARG A 79 103.214 8.452 10.692 1.00 0.00 C ATOM 1247 CG ARG A 79 102.960 7.913 12.100 1.00 0.00 C ATOM 1248 CD ARG A 79 102.032 8.868 12.854 1.00 0.00 C ATOM 1249 NE ARG A 79 102.700 10.191 13.009 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.543 11.116 12.099 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.129 12.272 12.238 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.800 10.884 11.051 1.00 0.00 N ATOM 0 H ARG A 79 103.226 5.533 10.678 1.00 0.00 H new ATOM 0 HA ARG A 79 104.021 7.730 8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.830 9.350 10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.271 8.737 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.512 6.921 12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 79 103.903 7.807 12.636 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.094 8.984 12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.786 8.456 13.833 1.00 0.00 H new ATOM 0 HE ARG A 79 103.281 10.375 13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 79 103.710 12.454 13.057 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.007 12.994 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.341 9.980 10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.679 11.607 10.342 1.00 0.00 H new ATOM 1266 N GLY A 80 106.319 7.713 9.889 1.00 0.00 N ATOM 1267 CA GLY A 80 107.686 7.486 10.398 1.00 0.00 C ATOM 1268 C GLY A 80 108.650 8.216 9.476 1.00 0.00 C ATOM 1269 O GLY A 80 108.587 9.418 9.338 1.00 0.00 O ATOM 0 H GLY A 80 106.252 8.366 9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.780 7.855 11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.913 6.420 10.422 1.00 0.00 H new ATOM 1273 N THR A 81 109.521 7.509 8.820 1.00 0.00 N ATOM 1274 CA THR A 81 110.468 8.198 7.894 1.00 0.00 C ATOM 1275 C THR A 81 111.520 7.227 7.370 1.00 0.00 C ATOM 1276 O THR A 81 111.819 6.219 7.979 1.00 0.00 O ATOM 1277 CB THR A 81 111.184 9.336 8.636 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.769 9.361 9.994 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.857 10.677 7.975 1.00 0.00 C ATOM 0 H THR A 81 109.622 6.496 8.880 1.00 0.00 H new ATOM 0 HA THR A 81 109.892 8.592 7.056 1.00 0.00 H new ATOM 0 HB THR A 81 112.260 9.167 8.591 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.948 9.890 10.075 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.368 11.479 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.188 10.661 6.937 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.781 10.847 8.010 1.00 0.00 H new ATOM 1287 N TRP A 82 112.106 7.551 6.250 1.00 0.00 N ATOM 1288 CA TRP A 82 113.171 6.676 5.683 1.00 0.00 C ATOM 1289 C TRP A 82 114.532 7.304 5.980 1.00 0.00 C ATOM 1290 O TRP A 82 114.695 8.507 5.924 1.00 0.00 O ATOM 1291 CB TRP A 82 113.007 6.542 4.167 1.00 0.00 C ATOM 1292 CG TRP A 82 111.563 6.383 3.821 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.671 7.392 3.757 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.839 5.169 3.479 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.436 6.877 3.408 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.489 5.508 3.223 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.217 3.819 3.369 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.547 4.539 2.871 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.273 2.842 3.015 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.940 3.202 2.765 1.00 0.00 C ATOM 0 H TRP A 82 111.893 8.385 5.702 1.00 0.00 H new ATOM 0 HA TRP A 82 113.096 5.687 6.135 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.414 7.423 3.670 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.573 5.683 3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.886 8.433 3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.591 7.438 3.300 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.241 3.532 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.522 4.821 2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.574 1.808 2.935 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.218 2.447 2.491 1.00 0.00 H new ATOM 1311 N SER A 83 115.514 6.505 6.294 1.00 0.00 N ATOM 1312 CA SER A 83 116.859 7.069 6.592 1.00 0.00 C ATOM 1313 C SER A 83 117.918 6.133 6.021 1.00 0.00 C ATOM 1314 O SER A 83 117.669 4.973 5.805 1.00 0.00 O ATOM 1315 CB SER A 83 117.043 7.189 8.106 1.00 0.00 C ATOM 1316 OG SER A 83 116.423 8.385 8.560 1.00 0.00 O ATOM 0 H SER A 83 115.443 5.489 6.357 1.00 0.00 H new ATOM 0 HA SER A 83 116.955 8.058 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.605 6.326 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.104 7.198 8.356 1.00 0.00 H new ATOM 0 HG SER A 83 115.813 8.719 7.870 1.00 0.00 H new ATOM 1322 N LEU A 84 119.091 6.609 5.743 1.00 0.00 N ATOM 1323 CA LEU A 84 120.107 5.696 5.181 1.00 0.00 C ATOM 1324 C LEU A 84 120.800 4.933 6.302 1.00 0.00 C ATOM 1325 O LEU A 84 121.404 5.502 7.190 1.00 0.00 O ATOM 1326 CB LEU A 84 121.135 6.494 4.374 1.00 0.00 C ATOM 1327 CG LEU A 84 120.879 6.260 2.885 1.00 0.00 C ATOM 1328 CD1 LEU A 84 120.742 7.604 2.163 1.00 0.00 C ATOM 1329 CD2 LEU A 84 122.041 5.470 2.276 1.00 0.00 C ATOM 0 H LEU A 84 119.386 7.576 5.878 1.00 0.00 H new ATOM 0 HA LEU A 84 119.616 4.981 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 84 121.057 7.556 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 84 122.146 6.183 4.637 1.00 0.00 H new ATOM 0 HG LEU A 84 119.956 5.692 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 84 120.560 7.430 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 84 119.908 8.162 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 121.661 8.177 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 84 121.853 5.306 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.967 6.032 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 84 122.131 4.508 2.781 1.00 0.00 H new ATOM 1341 N GLU A 85 120.719 3.638 6.246 1.00 0.00 N ATOM 1342 CA GLU A 85 121.368 2.792 7.274 1.00 0.00 C ATOM 1343 C GLU A 85 122.524 2.049 6.607 1.00 0.00 C ATOM 1344 O GLU A 85 122.322 1.157 5.808 1.00 0.00 O ATOM 1345 CB GLU A 85 120.338 1.800 7.835 1.00 0.00 C ATOM 1346 CG GLU A 85 120.993 0.442 8.090 1.00 0.00 C ATOM 1347 CD GLU A 85 120.149 -0.354 9.087 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.099 0.044 10.240 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.567 -1.346 8.683 1.00 0.00 O ATOM 0 H GLU A 85 120.222 3.123 5.519 1.00 0.00 H new ATOM 0 HA GLU A 85 121.747 3.396 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 85 119.917 2.188 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 85 119.512 1.687 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.086 -0.110 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.001 0.580 8.480 1.00 0.00 H new ATOM 1356 N GLY A 86 123.734 2.425 6.903 1.00 0.00 N ATOM 1357 CA GLY A 86 124.887 1.749 6.254 1.00 0.00 C ATOM 1358 C GLY A 86 124.803 1.988 4.747 1.00 0.00 C ATOM 1359 O GLY A 86 125.128 3.053 4.261 1.00 0.00 O ATOM 0 H GLY A 86 123.974 3.166 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 86 125.826 2.139 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.870 0.681 6.470 1.00 0.00 H new ATOM 1363 N ASN A 87 124.358 1.011 4.003 1.00 0.00 N ATOM 1364 CA ASN A 87 124.243 1.191 2.526 1.00 0.00 C ATOM 1365 C ASN A 87 122.811 0.886 2.075 1.00 0.00 C ATOM 1366 O ASN A 87 122.593 0.380 0.991 1.00 0.00 O ATOM 1367 CB ASN A 87 125.215 0.242 1.820 1.00 0.00 C ATOM 1368 CG ASN A 87 126.639 0.788 1.935 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.888 1.758 2.772 1.00 0.00 O flip ATOM 1370 ND2 ASN A 87 127.535 0.325 1.259 1.00 0.00 N flip ATOM 0 H ASN A 87 124.070 0.097 4.353 1.00 0.00 H new ATOM 0 HA ASN A 87 124.487 2.222 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.158 -0.751 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.939 0.136 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 87 127.341 -0.433 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 87 128.482 0.694 1.345 1.00 0.00 H new ATOM 1377 N LYS A 88 121.833 1.182 2.890 1.00 0.00 N ATOM 1378 CA LYS A 88 120.425 0.897 2.491 1.00 0.00 C ATOM 1379 C LYS A 88 119.514 2.030 2.964 1.00 0.00 C ATOM 1380 O LYS A 88 119.877 2.818 3.813 1.00 0.00 O ATOM 1381 CB LYS A 88 119.966 -0.417 3.132 1.00 0.00 C ATOM 1382 CG LYS A 88 120.972 -1.531 2.821 1.00 0.00 C ATOM 1383 CD LYS A 88 121.988 -1.641 3.959 1.00 0.00 C ATOM 1384 CE LYS A 88 123.052 -2.679 3.595 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.391 -3.976 3.274 1.00 0.00 N ATOM 0 H LYS A 88 121.948 1.607 3.810 1.00 0.00 H new ATOM 0 HA LYS A 88 120.372 0.815 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.872 -0.292 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 88 118.980 -0.690 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.451 -2.480 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.484 -1.320 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 88 122.456 -0.673 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 88 121.486 -1.928 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 88 123.635 -2.334 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 88 123.748 -2.808 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 123.086 -4.746 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.617 -4.147 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.008 -3.941 2.308 1.00 0.00 H new ATOM 1399 N LEU A 89 118.325 2.111 2.428 1.00 0.00 N ATOM 1400 CA LEU A 89 117.384 3.182 2.857 1.00 0.00 C ATOM 1401 C LEU A 89 116.345 2.570 3.797 1.00 0.00 C ATOM 1402 O LEU A 89 115.446 1.874 3.371 1.00 0.00 O ATOM 1403 CB LEU A 89 116.684 3.772 1.627 1.00 0.00 C ATOM 1404 CG LEU A 89 117.434 5.017 1.154 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.119 5.274 -0.321 1.00 0.00 C ATOM 1406 CD2 LEU A 89 116.994 6.224 1.985 1.00 0.00 C ATOM 0 H LEU A 89 117.966 1.480 1.711 1.00 0.00 H new ATOM 0 HA LEU A 89 117.928 3.975 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.648 3.032 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.653 4.028 1.871 1.00 0.00 H new ATOM 0 HG LEU A 89 118.506 4.862 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.654 6.162 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.431 4.415 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.047 5.428 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.529 7.112 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 89 115.922 6.378 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.218 6.043 3.036 1.00 0.00 H new ATOM 1418 N ILE A 90 116.464 2.811 5.073 1.00 0.00 N ATOM 1419 CA ILE A 90 115.485 2.222 6.027 1.00 0.00 C ATOM 1420 C ILE A 90 114.146 2.944 5.922 1.00 0.00 C ATOM 1421 O ILE A 90 114.042 4.019 5.369 1.00 0.00 O ATOM 1422 CB ILE A 90 115.997 2.312 7.460 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.861 3.547 7.632 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.822 1.067 7.790 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.064 3.793 9.118 1.00 0.00 C ATOM 0 H ILE A 90 117.193 3.387 5.494 1.00 0.00 H new ATOM 0 HA ILE A 90 115.354 1.172 5.766 1.00 0.00 H new ATOM 0 HB ILE A 90 115.143 2.377 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.822 3.408 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.384 4.410 7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.187 1.134 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.199 0.179 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.669 1.000 7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.684 4.678 9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.097 3.947 9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.557 2.930 9.566 1.00 0.00 H new ATOM 1437 N GLY A 91 113.125 2.342 6.459 1.00 0.00 N ATOM 1438 CA GLY A 91 111.765 2.944 6.425 1.00 0.00 C ATOM 1439 C GLY A 91 111.034 2.554 7.707 1.00 0.00 C ATOM 1440 O GLY A 91 110.443 1.499 7.803 1.00 0.00 O ATOM 0 H GLY A 91 113.177 1.439 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.832 4.029 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.215 2.591 5.552 1.00 0.00 H new ATOM 1444 N LYS A 92 111.078 3.393 8.695 1.00 0.00 N ATOM 1445 CA LYS A 92 110.395 3.068 9.974 1.00 0.00 C ATOM 1446 C LYS A 92 108.956 3.561 9.902 1.00 0.00 C ATOM 1447 O LYS A 92 108.701 4.741 9.984 1.00 0.00 O ATOM 1448 CB LYS A 92 111.119 3.757 11.133 1.00 0.00 C ATOM 1449 CG LYS A 92 112.237 2.848 11.647 1.00 0.00 C ATOM 1450 CD LYS A 92 112.994 3.554 12.774 1.00 0.00 C ATOM 1451 CE LYS A 92 114.128 2.654 13.269 1.00 0.00 C ATOM 1452 NZ LYS A 92 113.639 1.250 13.370 1.00 0.00 N ATOM 0 H LYS A 92 111.558 4.293 8.675 1.00 0.00 H new ATOM 0 HA LYS A 92 110.408 1.990 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.533 4.710 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.416 3.977 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.819 1.909 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.921 2.601 10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.397 4.502 12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.314 3.785 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 92 114.974 2.707 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 92 114.482 2.998 14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 114.299 0.693 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 112.698 1.241 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 113.579 0.834 12.419 1.00 0.00 H new ATOM 1466 N PHE A 93 108.018 2.669 9.735 1.00 0.00 N ATOM 1467 CA PHE A 93 106.591 3.089 9.642 1.00 0.00 C ATOM 1468 C PHE A 93 105.801 2.518 10.810 1.00 0.00 C ATOM 1469 O PHE A 93 105.941 1.368 11.179 1.00 0.00 O ATOM 1470 CB PHE A 93 105.992 2.585 8.322 1.00 0.00 C ATOM 1471 CG PHE A 93 106.213 3.594 7.210 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.901 4.794 7.454 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.725 3.323 5.926 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.096 5.714 6.417 1.00 0.00 C ATOM 1475 CE2 PHE A 93 105.921 4.245 4.889 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.607 5.440 5.136 1.00 0.00 C ATOM 0 H PHE A 93 108.179 1.665 9.659 1.00 0.00 H new ATOM 0 HA PHE A 93 106.538 4.177 9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.448 1.633 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.925 2.403 8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.280 5.007 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.196 2.401 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.625 6.636 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.543 4.034 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.759 6.151 4.337 1.00 0.00 H new ATOM 1486 N LYS A 94 104.962 3.329 11.385 1.00 0.00 N ATOM 1487 CA LYS A 94 104.135 2.869 12.529 1.00 0.00 C ATOM 1488 C LYS A 94 102.661 2.928 12.140 1.00 0.00 C ATOM 1489 O LYS A 94 102.120 3.985 11.882 1.00 0.00 O ATOM 1490 CB LYS A 94 104.373 3.774 13.737 1.00 0.00 C ATOM 1491 CG LYS A 94 105.694 3.395 14.408 1.00 0.00 C ATOM 1492 CD LYS A 94 106.002 4.393 15.526 1.00 0.00 C ATOM 1493 CE LYS A 94 107.505 4.394 15.812 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.250 4.693 14.556 1.00 0.00 N ATOM 0 H LYS A 94 104.813 4.299 11.108 1.00 0.00 H new ATOM 0 HA LYS A 94 104.411 1.846 12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.399 4.818 13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.551 3.675 14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.632 2.385 14.814 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.500 3.394 13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 94 105.676 5.392 15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.450 4.127 16.427 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.741 5.138 16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 94 107.811 3.426 16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 109.027 5.352 14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.638 3.811 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.605 5.124 13.864 1.00 0.00 H new ATOM 1508 N ARG A 95 102.006 1.802 12.099 1.00 0.00 N ATOM 1509 CA ARG A 95 100.565 1.794 11.730 1.00 0.00 C ATOM 1510 C ARG A 95 99.821 2.781 12.626 1.00 0.00 C ATOM 1511 O ARG A 95 99.736 2.604 13.824 1.00 0.00 O ATOM 1512 CB ARG A 95 99.989 0.387 11.924 1.00 0.00 C ATOM 1513 CG ARG A 95 100.173 -0.430 10.642 1.00 0.00 C ATOM 1514 CD ARG A 95 99.316 -1.695 10.714 1.00 0.00 C ATOM 1515 NE ARG A 95 97.919 -1.372 10.307 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.993 -2.289 10.368 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.770 -2.007 10.013 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.290 -3.489 10.786 1.00 0.00 N ATOM 0 H ARG A 95 102.407 0.887 12.305 1.00 0.00 H new ATOM 0 HA ARG A 95 100.450 2.083 10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.488 -0.109 12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.931 0.449 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.888 0.166 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.222 -0.696 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.728 -2.464 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.327 -2.098 11.727 1.00 0.00 H new ATOM 0 HE ARG A 95 97.687 -0.434 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.537 -1.069 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.047 -2.725 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.246 -3.710 11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.566 -4.206 10.834 1.00 0.00 H new ATOM 1532 N THR A 96 99.285 3.822 12.060 1.00 0.00 N ATOM 1533 CA THR A 96 98.557 4.821 12.886 1.00 0.00 C ATOM 1534 C THR A 96 97.260 4.214 13.382 1.00 0.00 C ATOM 1535 O THR A 96 96.589 4.730 14.254 1.00 0.00 O ATOM 1536 CB THR A 96 98.256 6.049 12.034 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.297 5.685 10.661 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.297 7.132 12.308 1.00 0.00 C ATOM 0 H THR A 96 99.319 4.025 11.061 1.00 0.00 H new ATOM 0 HA THR A 96 99.169 5.111 13.740 1.00 0.00 H new ATOM 0 HB THR A 96 97.267 6.433 12.282 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.032 4.747 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.079 8.009 11.698 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.267 7.407 13.362 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.289 6.754 12.060 1.00 0.00 H new ATOM 1546 N ASP A 97 96.922 3.120 12.817 1.00 0.00 N ATOM 1547 CA ASP A 97 95.671 2.413 13.204 1.00 0.00 C ATOM 1548 C ASP A 97 95.892 1.666 14.520 1.00 0.00 C ATOM 1549 O ASP A 97 95.122 1.790 15.453 1.00 0.00 O ATOM 1550 CB ASP A 97 95.288 1.415 12.110 1.00 0.00 C ATOM 1551 CG ASP A 97 95.363 2.101 10.745 1.00 0.00 C ATOM 1552 OD1 ASP A 97 96.339 1.881 10.046 1.00 0.00 O ATOM 1553 OD2 ASP A 97 94.444 2.835 10.421 1.00 0.00 O ATOM 0 H ASP A 97 97.462 2.661 12.083 1.00 0.00 H new ATOM 0 HA ASP A 97 94.869 3.140 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.959 0.557 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.281 1.037 12.284 1.00 0.00 H new ATOM 1558 N ASN A 98 96.935 0.888 14.601 1.00 0.00 N ATOM 1559 CA ASN A 98 97.207 0.129 15.853 1.00 0.00 C ATOM 1560 C ASN A 98 98.675 0.286 16.258 1.00 0.00 C ATOM 1561 O ASN A 98 99.164 -0.411 17.124 1.00 0.00 O ATOM 1562 CB ASN A 98 96.898 -1.353 15.623 1.00 0.00 C ATOM 1563 CG ASN A 98 95.453 -1.504 15.141 1.00 0.00 C ATOM 1564 OD1 ASN A 98 94.667 -0.584 15.244 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.068 -2.635 14.616 1.00 0.00 N ATOM 0 H ASN A 98 97.612 0.745 13.852 1.00 0.00 H new ATOM 0 HA ASN A 98 96.576 0.520 16.651 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.584 -1.768 14.885 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.045 -1.914 16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.107 -2.746 14.292 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.728 -3.408 14.529 1.00 0.00 H new ATOM 1572 N GLY A 99 99.387 1.193 15.644 1.00 0.00 N ATOM 1573 CA GLY A 99 100.821 1.381 16.007 1.00 0.00 C ATOM 1574 C GLY A 99 101.515 0.019 16.085 1.00 0.00 C ATOM 1575 O GLY A 99 102.305 -0.236 16.972 1.00 0.00 O ATOM 0 H GLY A 99 99.039 1.809 14.910 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.315 2.010 15.266 1.00 0.00 H new ATOM 0 HA3 GLY A 99 100.899 1.896 16.965 1.00 0.00 H new ATOM 1579 N ASN A 100 101.229 -0.859 15.162 1.00 0.00 N ATOM 1580 CA ASN A 100 101.874 -2.203 15.186 1.00 0.00 C ATOM 1581 C ASN A 100 103.298 -2.092 14.646 1.00 0.00 C ATOM 1582 O ASN A 100 103.900 -3.064 14.241 1.00 0.00 O ATOM 1583 CB ASN A 100 101.072 -3.170 14.319 1.00 0.00 C ATOM 1584 CG ASN A 100 100.027 -3.886 15.177 1.00 0.00 C ATOM 1585 OD1 ASN A 100 99.256 -3.186 15.963 1.00 0.00 O flip ATOM 1586 ND2 ASN A 100 99.911 -5.094 15.132 1.00 0.00 N flip ATOM 0 H ASN A 100 100.577 -0.704 14.393 1.00 0.00 H new ATOM 0 HA ASN A 100 101.902 -2.575 16.210 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.583 -2.628 13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.739 -3.898 13.857 1.00 0.00 H new ATOM 0 HD21 ASN A 100 100.514 -5.642 14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 100 99.211 -5.561 15.709 1.00 0.00 H new ATOM 1593 N GLU A 101 103.823 -0.906 14.652 1.00 0.00 N ATOM 1594 CA GLU A 101 105.212 -0.661 14.156 1.00 0.00 C ATOM 1595 C GLU A 101 105.483 -1.435 12.859 1.00 0.00 C ATOM 1596 O GLU A 101 104.840 -2.415 12.549 1.00 0.00 O ATOM 1597 CB GLU A 101 106.229 -1.066 15.233 1.00 0.00 C ATOM 1598 CG GLU A 101 106.361 -2.589 15.299 1.00 0.00 C ATOM 1599 CD GLU A 101 107.549 -2.955 16.191 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.200 -2.047 16.681 1.00 0.00 O ATOM 1601 OE2 GLU A 101 107.788 -4.138 16.370 1.00 0.00 O ATOM 0 H GLU A 101 103.341 -0.071 14.987 1.00 0.00 H new ATOM 0 HA GLU A 101 105.315 0.403 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.199 -0.620 15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 101 105.914 -0.680 16.203 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.445 -3.028 15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.503 -2.997 14.298 1.00 0.00 H new ATOM 1608 N LEU A 102 106.450 -0.991 12.104 1.00 0.00 N ATOM 1609 CA LEU A 102 106.800 -1.676 10.830 1.00 0.00 C ATOM 1610 C LEU A 102 108.244 -1.316 10.483 1.00 0.00 C ATOM 1611 O LEU A 102 108.603 -0.156 10.439 1.00 0.00 O ATOM 1612 CB LEU A 102 105.864 -1.204 9.712 1.00 0.00 C ATOM 1613 CG LEU A 102 106.083 -2.056 8.457 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.950 -1.797 7.461 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.423 -1.690 7.805 1.00 0.00 C ATOM 0 H LEU A 102 107.019 -0.172 12.320 1.00 0.00 H new ATOM 0 HA LEU A 102 106.694 -2.755 10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.827 -1.280 10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.052 -0.154 9.487 1.00 0.00 H new ATOM 0 HG LEU A 102 106.094 -3.109 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.105 -2.403 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 102 103.996 -2.062 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.941 -0.742 7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.572 -2.299 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.417 -0.636 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.233 -1.874 8.510 1.00 0.00 H new ATOM 1627 N ASN A 103 109.081 -2.290 10.242 1.00 0.00 N ATOM 1628 CA ASN A 103 110.500 -1.971 9.909 1.00 0.00 C ATOM 1629 C ASN A 103 110.801 -2.454 8.493 1.00 0.00 C ATOM 1630 O ASN A 103 110.785 -3.633 8.217 1.00 0.00 O ATOM 1631 CB ASN A 103 111.433 -2.670 10.905 1.00 0.00 C ATOM 1632 CG ASN A 103 112.631 -1.766 11.208 1.00 0.00 C ATOM 1633 OD1 ASN A 103 112.463 -0.624 11.589 1.00 0.00 O ATOM 1634 ND2 ASN A 103 113.839 -2.231 11.051 1.00 0.00 N ATOM 0 H ASN A 103 108.847 -3.283 10.261 1.00 0.00 H new ATOM 0 HA ASN A 103 110.659 -0.894 9.969 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.895 -2.898 11.825 1.00 0.00 H new ATOM 0 HB3 ASN A 103 111.776 -3.619 10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 103 114.644 -1.636 11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.979 -3.189 10.731 1.00 0.00 H new ATOM 1641 N THR A 104 111.058 -1.551 7.586 1.00 0.00 N ATOM 1642 CA THR A 104 111.329 -1.970 6.186 1.00 0.00 C ATOM 1643 C THR A 104 112.664 -1.414 5.692 1.00 0.00 C ATOM 1644 O THR A 104 113.334 -0.656 6.366 1.00 0.00 O ATOM 1645 CB THR A 104 110.210 -1.440 5.290 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.569 -1.618 3.927 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.003 0.049 5.578 1.00 0.00 C ATOM 0 H THR A 104 111.091 -0.546 7.755 1.00 0.00 H new ATOM 0 HA THR A 104 111.374 -3.058 6.150 1.00 0.00 H new ATOM 0 HB THR A 104 109.287 -1.984 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.750 -2.566 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.206 0.435 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.730 0.183 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.926 0.591 5.372 1.00 0.00 H new ATOM 1655 N VAL A 105 113.038 -1.790 4.499 1.00 0.00 N ATOM 1656 CA VAL A 105 114.313 -1.303 3.908 1.00 0.00 C ATOM 1657 C VAL A 105 114.117 -1.122 2.401 1.00 0.00 C ATOM 1658 O VAL A 105 113.369 -1.848 1.777 1.00 0.00 O ATOM 1659 CB VAL A 105 115.422 -2.326 4.164 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.752 -1.778 3.643 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.534 -2.591 5.667 1.00 0.00 C ATOM 0 H VAL A 105 112.505 -2.423 3.902 1.00 0.00 H new ATOM 0 HA VAL A 105 114.595 -0.353 4.363 1.00 0.00 H new ATOM 0 HB VAL A 105 115.185 -3.256 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.542 -2.506 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.673 -1.588 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.990 -0.848 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.324 -3.320 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.771 -1.661 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.587 -2.981 6.039 1.00 0.00 H new ATOM 1671 N ARG A 106 114.773 -0.159 1.810 1.00 0.00 N ATOM 1672 CA ARG A 106 114.605 0.062 0.343 1.00 0.00 C ATOM 1673 C ARG A 106 115.960 -0.048 -0.359 1.00 0.00 C ATOM 1674 O ARG A 106 116.941 0.534 0.063 1.00 0.00 O ATOM 1675 CB ARG A 106 114.016 1.456 0.106 1.00 0.00 C ATOM 1676 CG ARG A 106 113.098 1.428 -1.120 1.00 0.00 C ATOM 1677 CD ARG A 106 112.769 2.862 -1.542 1.00 0.00 C ATOM 1678 NE ARG A 106 112.484 3.682 -0.332 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.265 4.963 -0.449 1.00 0.00 C ATOM 1680 NH1 ARG A 106 112.015 5.682 0.611 1.00 0.00 N ATOM 1681 NH2 ARG A 106 112.295 5.525 -1.627 1.00 0.00 N ATOM 0 H ARG A 106 115.415 0.482 2.276 1.00 0.00 H new ATOM 0 HA ARG A 106 113.932 -0.694 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.456 1.779 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.818 2.179 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.584 0.898 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.181 0.886 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.604 3.290 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.907 2.868 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 106 112.460 3.242 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 106 111.991 5.243 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 106 111.844 6.683 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 106 112.490 4.963 -2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 106 112.124 6.526 -1.719 1.00 0.00 H new ATOM 1695 N GLU A 107 116.019 -0.787 -1.436 1.00 0.00 N ATOM 1696 CA GLU A 107 117.300 -0.936 -2.179 1.00 0.00 C ATOM 1697 C GLU A 107 117.012 -0.756 -3.672 1.00 0.00 C ATOM 1698 O GLU A 107 115.895 -0.931 -4.116 1.00 0.00 O ATOM 1699 CB GLU A 107 117.885 -2.329 -1.901 1.00 0.00 C ATOM 1700 CG GLU A 107 118.340 -2.989 -3.206 1.00 0.00 C ATOM 1701 CD GLU A 107 119.071 -4.296 -2.889 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.288 -4.265 -2.807 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.401 -5.303 -2.734 1.00 0.00 O ATOM 0 H GLU A 107 115.229 -1.296 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 107 118.025 -0.188 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 107 118.728 -2.246 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 107 117.137 -2.953 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 107 117.480 -3.187 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.998 -2.316 -3.756 1.00 0.00 H new ATOM 1710 N ILE A 108 117.999 -0.409 -4.455 1.00 0.00 N ATOM 1711 CA ILE A 108 117.769 -0.224 -5.901 1.00 0.00 C ATOM 1712 C ILE A 108 118.753 -1.094 -6.664 1.00 0.00 C ATOM 1713 O ILE A 108 119.795 -0.646 -7.100 1.00 0.00 O ATOM 1714 CB ILE A 108 117.993 1.238 -6.255 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.206 2.120 -5.274 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.513 1.472 -7.680 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.652 3.345 -6.000 1.00 0.00 C ATOM 0 H ILE A 108 118.957 -0.247 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 108 116.749 -0.506 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 108 119.051 1.491 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.389 1.548 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 108 117.853 2.434 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.667 2.517 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.075 0.835 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.452 1.232 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.096 3.964 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.476 3.923 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.989 3.023 -6.803 1.00 0.00 H new ATOM 1729 N ILE A 109 118.433 -2.341 -6.819 1.00 0.00 N ATOM 1730 CA ILE A 109 119.354 -3.252 -7.546 1.00 0.00 C ATOM 1731 C ILE A 109 119.495 -2.777 -8.989 1.00 0.00 C ATOM 1732 O ILE A 109 118.734 -3.152 -9.858 1.00 0.00 O ATOM 1733 CB ILE A 109 118.793 -4.675 -7.526 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.947 -5.263 -6.121 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.562 -5.539 -8.528 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.221 -6.607 -6.047 1.00 0.00 C ATOM 0 H ILE A 109 117.575 -2.771 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 109 120.331 -3.246 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 109 117.738 -4.655 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.003 -5.395 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.538 -4.575 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.163 -6.553 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.454 -5.120 -9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.617 -5.560 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.331 -7.025 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.163 -6.462 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.651 -7.293 -6.776 1.00 0.00 H new ATOM 1748 N GLY A 110 120.475 -1.963 -9.246 1.00 0.00 N ATOM 1749 CA GLY A 110 120.691 -1.464 -10.634 1.00 0.00 C ATOM 1750 C GLY A 110 119.418 -0.795 -11.162 1.00 0.00 C ATOM 1751 O GLY A 110 119.314 0.416 -11.197 1.00 0.00 O ATOM 0 H GLY A 110 121.140 -1.618 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.517 -0.752 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.972 -2.291 -11.286 1.00 0.00 H new ATOM 1755 N ASP A 111 118.453 -1.570 -11.590 1.00 0.00 N ATOM 1756 CA ASP A 111 117.200 -0.969 -12.132 1.00 0.00 C ATOM 1757 C ASP A 111 115.976 -1.621 -11.481 1.00 0.00 C ATOM 1758 O ASP A 111 114.916 -1.699 -12.069 1.00 0.00 O ATOM 1759 CB ASP A 111 117.151 -1.178 -13.652 1.00 0.00 C ATOM 1760 CG ASP A 111 116.967 0.170 -14.353 1.00 0.00 C ATOM 1761 OD1 ASP A 111 117.497 0.326 -15.441 1.00 0.00 O ATOM 1762 OD2 ASP A 111 116.301 1.023 -13.790 1.00 0.00 O ATOM 0 H ASP A 111 118.480 -2.590 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 111 117.190 0.098 -11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 111 118.071 -1.654 -13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.331 -1.848 -13.910 1.00 0.00 H new ATOM 1767 N GLU A 112 116.112 -2.080 -10.270 1.00 0.00 N ATOM 1768 CA GLU A 112 114.959 -2.714 -9.576 1.00 0.00 C ATOM 1769 C GLU A 112 114.899 -2.194 -8.141 1.00 0.00 C ATOM 1770 O GLU A 112 115.908 -2.077 -7.476 1.00 0.00 O ATOM 1771 CB GLU A 112 115.133 -4.235 -9.568 1.00 0.00 C ATOM 1772 CG GLU A 112 115.925 -4.664 -10.806 1.00 0.00 C ATOM 1773 CD GLU A 112 115.808 -6.178 -10.987 1.00 0.00 C ATOM 1774 OE1 GLU A 112 114.702 -6.647 -11.197 1.00 0.00 O ATOM 1775 OE2 GLU A 112 116.828 -6.843 -10.915 1.00 0.00 O ATOM 0 H GLU A 112 116.976 -2.043 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 112 114.034 -2.467 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.654 -4.547 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.159 -4.723 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.545 -4.151 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.972 -4.380 -10.698 1.00 0.00 H new ATOM 1782 N LEU A 113 113.730 -1.870 -7.651 1.00 0.00 N ATOM 1783 CA LEU A 113 113.641 -1.349 -6.253 1.00 0.00 C ATOM 1784 C LEU A 113 113.248 -2.472 -5.306 1.00 0.00 C ATOM 1785 O LEU A 113 112.133 -2.946 -5.329 1.00 0.00 O ATOM 1786 CB LEU A 113 112.590 -0.245 -6.169 1.00 0.00 C ATOM 1787 CG LEU A 113 112.719 0.496 -4.830 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.114 1.956 -5.078 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.375 0.457 -4.095 1.00 0.00 C ATOM 0 H LEU A 113 112.844 -1.942 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 113 114.615 -0.950 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.717 0.454 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.592 -0.673 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 113 113.486 0.011 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.204 2.476 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.070 1.991 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 113 112.350 2.442 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.465 0.983 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 113 110.612 0.940 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.091 -0.579 -3.911 1.00 0.00 H new ATOM 1801 N VAL A 114 114.143 -2.890 -4.460 1.00 0.00 N ATOM 1802 CA VAL A 114 113.792 -3.973 -3.506 1.00 0.00 C ATOM 1803 C VAL A 114 113.288 -3.338 -2.214 1.00 0.00 C ATOM 1804 O VAL A 114 114.027 -2.683 -1.504 1.00 0.00 O ATOM 1805 CB VAL A 114 115.024 -4.831 -3.216 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.635 -5.988 -2.291 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.575 -5.390 -4.529 1.00 0.00 C ATOM 0 H VAL A 114 115.095 -2.532 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 114 113.018 -4.609 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 114 115.787 -4.221 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.513 -6.600 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.242 -5.590 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.873 -6.599 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.453 -6.002 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.813 -6.000 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.852 -4.567 -5.187 1.00 0.00 H new ATOM 1817 N GLN A 115 112.036 -3.518 -1.904 1.00 0.00 N ATOM 1818 CA GLN A 115 111.485 -2.919 -0.659 1.00 0.00 C ATOM 1819 C GLN A 115 111.059 -4.043 0.276 1.00 0.00 C ATOM 1820 O GLN A 115 110.039 -4.672 0.082 1.00 0.00 O ATOM 1821 CB GLN A 115 110.272 -2.052 -1.004 1.00 0.00 C ATOM 1822 CG GLN A 115 109.957 -1.123 0.170 1.00 0.00 C ATOM 1823 CD GLN A 115 108.706 -0.301 -0.150 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.128 -0.441 -1.313 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 108.250 0.476 0.664 1.00 0.00 N flip ATOM 0 H GLN A 115 111.370 -4.055 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 115 112.241 -2.300 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.474 -1.466 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.411 -2.683 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.799 -1.707 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.801 -0.461 0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.701 0.586 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.416 1.019 0.439 1.00 0.00 H new ATOM 1834 N THR A 116 111.834 -4.311 1.287 1.00 0.00 N ATOM 1835 CA THR A 116 111.469 -5.402 2.224 1.00 0.00 C ATOM 1836 C THR A 116 110.887 -4.806 3.498 1.00 0.00 C ATOM 1837 O THR A 116 111.318 -3.772 3.967 1.00 0.00 O ATOM 1838 CB THR A 116 112.712 -6.218 2.576 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.639 -6.159 1.503 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.313 -7.670 2.835 1.00 0.00 C ATOM 0 H THR A 116 112.703 -3.822 1.503 1.00 0.00 H new ATOM 0 HA THR A 116 110.731 -6.048 1.749 1.00 0.00 H new ATOM 0 HB THR A 116 113.175 -5.807 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.436 -6.681 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.200 -8.252 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.606 -7.711 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.848 -8.085 1.941 1.00 0.00 H new ATOM 1848 N TYR A 117 109.923 -5.462 4.070 1.00 0.00 N ATOM 1849 CA TYR A 117 109.323 -4.947 5.332 1.00 0.00 C ATOM 1850 C TYR A 117 109.383 -6.024 6.396 1.00 0.00 C ATOM 1851 O TYR A 117 109.334 -7.201 6.117 1.00 0.00 O ATOM 1852 CB TYR A 117 107.859 -4.540 5.136 1.00 0.00 C ATOM 1853 CG TYR A 117 107.674 -3.938 3.777 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.867 -4.732 2.657 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.299 -2.599 3.639 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.689 -4.195 1.378 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.121 -2.052 2.364 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.316 -2.852 1.230 1.00 0.00 C ATOM 1859 OH TYR A 117 107.139 -2.318 -0.030 1.00 0.00 O ATOM 0 H TYR A 117 109.522 -6.333 3.721 1.00 0.00 H new ATOM 0 HA TYR A 117 109.893 -4.069 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.212 -5.410 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.566 -3.824 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.155 -5.766 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.147 -1.987 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.839 -4.814 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.834 -1.017 2.254 1.00 0.00 H new ATOM 0 HH TYR A 117 107.591 -2.883 -0.691 1.00 0.00 H new ATOM 1869 N VAL A 118 109.459 -5.609 7.614 1.00 0.00 N ATOM 1870 CA VAL A 118 109.491 -6.571 8.748 1.00 0.00 C ATOM 1871 C VAL A 118 108.278 -6.322 9.609 1.00 0.00 C ATOM 1872 O VAL A 118 107.806 -5.207 9.737 1.00 0.00 O ATOM 1873 CB VAL A 118 110.731 -6.373 9.611 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.891 -7.569 10.553 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.971 -6.245 8.727 1.00 0.00 C ATOM 0 H VAL A 118 109.502 -4.627 7.886 1.00 0.00 H new ATOM 0 HA VAL A 118 109.504 -7.584 8.345 1.00 0.00 H new ATOM 0 HB VAL A 118 110.618 -5.460 10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.778 -7.429 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.012 -7.649 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.998 -8.482 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.852 -6.104 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.090 -7.151 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.857 -5.388 8.063 1.00 0.00 H new ATOM 1885 N TYR A 119 107.769 -7.346 10.199 1.00 0.00 N ATOM 1886 CA TYR A 119 106.574 -7.167 11.053 1.00 0.00 C ATOM 1887 C TYR A 119 106.616 -8.112 12.254 1.00 0.00 C ATOM 1888 O TYR A 119 106.468 -9.311 12.132 1.00 0.00 O ATOM 1889 CB TYR A 119 105.324 -7.436 10.220 1.00 0.00 C ATOM 1890 CG TYR A 119 104.253 -6.445 10.594 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.489 -6.666 11.737 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.018 -5.318 9.796 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.482 -5.762 12.092 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.014 -4.410 10.151 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.243 -4.633 11.298 1.00 0.00 C ATOM 1896 OH TYR A 119 101.250 -3.741 11.647 1.00 0.00 O ATOM 0 H TYR A 119 108.123 -8.300 10.131 1.00 0.00 H new ATOM 0 HA TYR A 119 106.556 -6.144 11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.556 -7.354 9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.971 -8.453 10.392 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.674 -7.536 12.350 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.610 -5.150 8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.889 -5.935 12.978 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.834 -3.538 9.540 1.00 0.00 H new ATOM 0 HH TYR A 119 100.380 -4.092 11.364 1.00 0.00 H new ATOM 1906 N GLU A 120 106.799 -7.553 13.414 1.00 0.00 N ATOM 1907 CA GLU A 120 106.832 -8.361 14.668 1.00 0.00 C ATOM 1908 C GLU A 120 107.754 -9.565 14.523 1.00 0.00 C ATOM 1909 O GLU A 120 107.679 -10.510 15.282 1.00 0.00 O ATOM 1910 CB GLU A 120 105.419 -8.839 15.005 1.00 0.00 C ATOM 1911 CG GLU A 120 104.655 -7.718 15.711 1.00 0.00 C ATOM 1912 CD GLU A 120 103.289 -8.236 16.164 1.00 0.00 C ATOM 1913 OE1 GLU A 120 102.294 -7.647 15.774 1.00 0.00 O ATOM 1914 OE2 GLU A 120 103.260 -9.214 16.893 1.00 0.00 O ATOM 0 H GLU A 120 106.930 -6.551 13.552 1.00 0.00 H new ATOM 0 HA GLU A 120 107.215 -7.731 15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.896 -9.132 14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.465 -9.721 15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.223 -7.362 16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.529 -6.870 15.038 1.00 0.00 H new ATOM 1921 N GLY A 121 108.627 -9.536 13.567 1.00 0.00 N ATOM 1922 CA GLY A 121 109.562 -10.680 13.384 1.00 0.00 C ATOM 1923 C GLY A 121 109.226 -11.393 12.084 1.00 0.00 C ATOM 1924 O GLY A 121 109.468 -12.573 11.927 1.00 0.00 O ATOM 0 H GLY A 121 108.738 -8.772 12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.592 -10.324 13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.481 -11.370 14.224 1.00 0.00 H new ATOM 1928 N VAL A 122 108.688 -10.675 11.142 1.00 0.00 N ATOM 1929 CA VAL A 122 108.352 -11.285 9.843 1.00 0.00 C ATOM 1930 C VAL A 122 109.071 -10.496 8.781 1.00 0.00 C ATOM 1931 O VAL A 122 109.734 -9.522 9.070 1.00 0.00 O ATOM 1932 CB VAL A 122 106.848 -11.238 9.595 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.479 -9.989 8.797 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.423 -12.485 8.821 1.00 0.00 C ATOM 0 H VAL A 122 108.467 -9.683 11.223 1.00 0.00 H new ATOM 0 HA VAL A 122 108.655 -12.332 9.828 1.00 0.00 H new ATOM 0 HB VAL A 122 106.331 -11.206 10.554 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.402 -9.970 8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.775 -9.100 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 122 106.996 -10.004 7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.348 -12.454 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.949 -12.518 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.669 -13.375 9.401 1.00 0.00 H new ATOM 1944 N GLU A 123 108.962 -10.895 7.565 1.00 0.00 N ATOM 1945 CA GLU A 123 109.667 -10.134 6.514 1.00 0.00 C ATOM 1946 C GLU A 123 108.999 -10.318 5.149 1.00 0.00 C ATOM 1947 O GLU A 123 108.965 -11.401 4.600 1.00 0.00 O ATOM 1948 CB GLU A 123 111.116 -10.611 6.437 1.00 0.00 C ATOM 1949 CG GLU A 123 111.853 -9.807 5.369 1.00 0.00 C ATOM 1950 CD GLU A 123 113.338 -10.170 5.387 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.656 -11.305 5.071 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.135 -9.306 5.717 1.00 0.00 O ATOM 0 H GLU A 123 108.425 -11.703 7.249 1.00 0.00 H new ATOM 0 HA GLU A 123 109.628 -9.076 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.604 -10.487 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.149 -11.674 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.429 -10.015 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.727 -8.740 5.551 1.00 0.00 H new ATOM 1959 N ALA A 124 108.494 -9.252 4.585 1.00 0.00 N ATOM 1960 CA ALA A 124 107.858 -9.340 3.239 1.00 0.00 C ATOM 1961 C ALA A 124 108.799 -8.692 2.223 1.00 0.00 C ATOM 1962 O ALA A 124 109.555 -7.802 2.557 1.00 0.00 O ATOM 1963 CB ALA A 124 106.516 -8.603 3.246 1.00 0.00 C ATOM 0 H ALA A 124 108.495 -8.321 5.001 1.00 0.00 H new ATOM 0 HA ALA A 124 107.679 -10.383 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.058 -8.672 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.856 -9.057 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.678 -7.555 3.499 1.00 0.00 H new ATOM 1969 N LYS A 125 108.779 -9.129 0.991 1.00 0.00 N ATOM 1970 CA LYS A 125 109.696 -8.524 -0.013 1.00 0.00 C ATOM 1971 C LYS A 125 108.912 -8.058 -1.242 1.00 0.00 C ATOM 1972 O LYS A 125 108.041 -8.745 -1.737 1.00 0.00 O ATOM 1973 CB LYS A 125 110.740 -9.561 -0.442 1.00 0.00 C ATOM 1974 CG LYS A 125 110.989 -10.550 0.701 1.00 0.00 C ATOM 1975 CD LYS A 125 112.428 -11.073 0.633 1.00 0.00 C ATOM 1976 CE LYS A 125 112.566 -12.055 -0.534 1.00 0.00 C ATOM 1977 NZ LYS A 125 112.301 -13.439 -0.050 1.00 0.00 N ATOM 0 H LYS A 125 108.173 -9.871 0.641 1.00 0.00 H new ATOM 0 HA LYS A 125 110.190 -7.664 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 125 110.394 -10.094 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 125 111.671 -9.063 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 125 110.815 -10.062 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 125 110.287 -11.381 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 125 113.122 -10.242 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 125 112.690 -11.566 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 125 111.865 -11.795 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.567 -11.992 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 112.411 -14.109 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 112.975 -13.678 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 111.331 -13.497 0.321 1.00 0.00 H new ATOM 1991 N ARG A 126 109.234 -6.896 -1.748 1.00 0.00 N ATOM 1992 CA ARG A 126 108.533 -6.382 -2.958 1.00 0.00 C ATOM 1993 C ARG A 126 109.570 -5.708 -3.855 1.00 0.00 C ATOM 1994 O ARG A 126 110.157 -4.711 -3.491 1.00 0.00 O ATOM 1995 CB ARG A 126 107.467 -5.365 -2.545 1.00 0.00 C ATOM 1996 CG ARG A 126 106.325 -6.085 -1.822 1.00 0.00 C ATOM 1997 CD ARG A 126 105.051 -5.247 -1.923 1.00 0.00 C ATOM 1998 NE ARG A 126 105.234 -3.969 -1.179 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.276 -3.083 -1.160 1.00 0.00 C ATOM 2000 NH1 ARG A 126 104.437 -1.963 -0.509 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.158 -3.316 -1.792 1.00 0.00 N ATOM 0 H ARG A 126 109.955 -6.280 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 126 108.047 -7.200 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.904 -4.609 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.085 -4.846 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.163 -7.068 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.586 -6.245 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.821 -5.041 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.206 -5.800 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 126 106.108 -3.787 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.311 -1.781 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.689 -1.270 -0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.033 -4.191 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.410 -2.623 -1.777 1.00 0.00 H new ATOM 2015 N ILE A 127 109.822 -6.253 -5.016 1.00 0.00 N ATOM 2016 CA ILE A 127 110.851 -5.644 -5.906 1.00 0.00 C ATOM 2017 C ILE A 127 110.206 -4.988 -7.123 1.00 0.00 C ATOM 2018 O ILE A 127 109.395 -5.576 -7.810 1.00 0.00 O ATOM 2019 CB ILE A 127 111.822 -6.723 -6.379 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.434 -7.426 -5.163 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.934 -6.075 -7.208 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.699 -8.746 -4.912 1.00 0.00 C ATOM 0 H ILE A 127 109.363 -7.087 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 127 111.382 -4.881 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 127 111.290 -7.452 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.494 -7.615 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 127 112.362 -6.785 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.629 -6.843 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.498 -5.573 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.467 -5.348 -6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.134 -9.246 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.645 -8.545 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 127 111.794 -9.388 -5.788 1.00 0.00 H new ATOM 2034 N PHE A 128 110.583 -3.770 -7.398 1.00 0.00 N ATOM 2035 CA PHE A 128 110.020 -3.060 -8.582 1.00 0.00 C ATOM 2036 C PHE A 128 111.021 -3.126 -9.738 1.00 0.00 C ATOM 2037 O PHE A 128 112.124 -3.616 -9.594 1.00 0.00 O ATOM 2038 CB PHE A 128 109.773 -1.580 -8.258 1.00 0.00 C ATOM 2039 CG PHE A 128 108.998 -1.419 -6.971 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.251 -2.480 -6.468 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.019 -0.196 -6.290 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.520 -2.329 -5.283 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.293 -0.041 -5.102 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.542 -1.108 -4.600 1.00 0.00 C ATOM 0 H PHE A 128 111.258 -3.234 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 128 109.080 -3.540 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.727 -1.060 -8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.224 -1.114 -9.076 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.235 -3.423 -6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.596 0.629 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.940 -3.154 -4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.313 0.901 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.979 -0.990 -3.686 1.00 0.00 H new ATOM 2054 N LYS A 129 110.641 -2.611 -10.878 1.00 0.00 N ATOM 2055 CA LYS A 129 111.550 -2.617 -12.059 1.00 0.00 C ATOM 2056 C LYS A 129 111.012 -1.633 -13.101 1.00 0.00 C ATOM 2057 O LYS A 129 109.825 -1.385 -13.179 1.00 0.00 O ATOM 2058 CB LYS A 129 111.601 -4.025 -12.658 1.00 0.00 C ATOM 2059 CG LYS A 129 112.794 -4.133 -13.609 1.00 0.00 C ATOM 2060 CD LYS A 129 112.557 -5.275 -14.600 1.00 0.00 C ATOM 2061 CE LYS A 129 113.860 -5.593 -15.337 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.549 -6.293 -16.615 1.00 0.00 N ATOM 0 H LYS A 129 109.730 -2.182 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 129 112.555 -2.322 -11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.687 -4.766 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.676 -4.238 -13.193 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.930 -3.194 -14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.708 -4.312 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 129 112.200 -6.160 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.782 -4.996 -15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.410 -4.674 -15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.500 -6.218 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 114.434 -6.509 -17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 113.041 -7.177 -16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.955 -5.681 -17.210 1.00 0.00 H new ATOM 2076 N LYS A 130 111.874 -1.062 -13.899 1.00 0.00 N ATOM 2077 CA LYS A 130 111.406 -0.087 -14.926 1.00 0.00 C ATOM 2078 C LYS A 130 110.205 -0.669 -15.675 1.00 0.00 C ATOM 2079 O LYS A 130 110.217 -1.806 -16.102 1.00 0.00 O ATOM 2080 CB LYS A 130 112.535 0.191 -15.922 1.00 0.00 C ATOM 2081 CG LYS A 130 113.582 1.104 -15.276 1.00 0.00 C ATOM 2082 CD LYS A 130 114.379 1.818 -16.370 1.00 0.00 C ATOM 2083 CE LYS A 130 115.337 2.829 -15.735 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.431 4.037 -16.604 1.00 0.00 N ATOM 0 H LYS A 130 112.880 -1.228 -13.884 1.00 0.00 H new ATOM 0 HA LYS A 130 111.116 0.842 -14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.998 -0.746 -16.232 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.133 0.661 -16.820 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.095 1.835 -14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 130 114.252 0.519 -14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.940 1.091 -16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 130 113.700 2.326 -17.055 1.00 0.00 H new ATOM 0 HE2 LYS A 130 114.983 3.108 -14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 130 116.323 2.382 -15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.082 4.725 -16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 115.788 3.763 -17.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 114.489 4.467 -16.704 1.00 0.00 H new ATOM 2098 N ASP A 131 109.168 0.107 -15.837 1.00 0.00 N ATOM 2099 CA ASP A 131 107.965 -0.398 -16.559 1.00 0.00 C ATOM 2100 C ASP A 131 108.378 -0.924 -17.935 1.00 0.00 C ATOM 2101 O ASP A 131 107.916 -1.990 -18.304 1.00 0.00 O ATOM 2102 CB ASP A 131 106.957 0.741 -16.729 1.00 0.00 C ATOM 2103 CG ASP A 131 107.692 2.012 -17.157 1.00 0.00 C ATOM 2104 OD1 ASP A 131 107.425 2.487 -18.250 1.00 0.00 O ATOM 2105 OD2 ASP A 131 108.508 2.489 -16.387 1.00 0.00 O ATOM 0 H ASP A 131 109.102 1.068 -15.501 1.00 0.00 H new ATOM 0 HA ASP A 131 107.509 -1.204 -15.985 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.210 0.471 -17.475 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.425 0.913 -15.793 1.00 0.00 H new