USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1075 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 133 LYS NZ :NH3+ -160:sc= 1.23 (180deg=-0.0704) USER MOD Set 1.2: A 137 THR OG1 : rot 180:sc= 0.801 USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.232 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -149:sc= 0.244 (180deg=0) USER MOD Single : A 8 SER OG : rot 27:sc= 0.135 USER MOD Single : A 9 HIS :FLIP no HE2:sc= -0.309 F(o=-0.91,f=-0.31) USER MOD Single : A 10 ASN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 14 TYR OH : rot 75:sc= -0.165 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.957 K(o=0.96,f=-3.9!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-2.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0852) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 1:sc= 0.224 USER MOD Single : A 57 SER OG : rot -170:sc= -0.0873 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0233 F(o=-1.2,f=-0.023) USER MOD Single : A 68 THR OG1 : rot -53:sc= 0.637 USER MOD Single : A 71 SER OG : rot 180:sc= -0.129 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.757 K(o=0.76,f=-0.93) USER MOD Single : A 99 SER OG : rot -3:sc= 0.216 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= -0.095 (180deg=-0.455) USER MOD Single : A 106 THR OG1 : rot 52:sc= 1.29 USER MOD Single : A 107 TYR OH : rot -143:sc= 0.164 USER MOD Single : A 111 ASN : amide:sc= -0.887 K(o=-0.89,f=-2.6!) USER MOD Single : A 112 LYS NZ :NH3+ -127:sc= 0.934 (180deg=0.0503) USER MOD Single : A 117 MET CE :methyl 166:sc= 0 (180deg=-0.293) USER MOD Single : A 130 HIS : no HE2:sc= -0.11 X(o=-0.11,f=-0.45) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 164:sc= -0.165 (180deg=-0.624) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= 0.512 K(o=0.51,f=-5!) USER MOD Single : A 149 ASN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 7.956 -13.611 3.567 1.00 32.24 N ATOM 94 CA SER A 8 8.694 -12.916 2.566 1.00 44.30 C ATOM 95 C SER A 8 7.989 -11.576 2.320 1.00 34.03 C ATOM 96 O SER A 8 6.804 -11.523 1.954 1.00 22.24 O ATOM 97 CB SER A 8 8.753 -13.755 1.296 1.00 23.23 C ATOM 98 OG SER A 8 9.310 -15.040 1.569 1.00 34.42 O ATOM 0 HA SER A 8 9.721 -12.735 2.885 1.00 44.30 H new ATOM 0 HB2 SER A 8 7.751 -13.867 0.881 1.00 23.23 H new ATOM 0 HB3 SER A 8 9.354 -13.244 0.544 1.00 23.23 H new ATOM 0 HG SER A 8 9.149 -15.274 2.507 1.00 34.42 H new ATOM 104 N HIS A 9 8.698 -10.527 2.553 1.00 2.44 N ATOM 105 CA HIS A 9 8.155 -9.206 2.516 1.00 43.00 C ATOM 106 C HIS A 9 8.188 -8.600 1.151 1.00 52.42 C ATOM 107 O HIS A 9 9.010 -8.976 0.293 1.00 35.14 O ATOM 108 CB HIS A 9 8.846 -8.304 3.535 1.00 11.11 C ATOM 109 CG HIS A 9 8.602 -8.739 4.946 1.00 31.11 C ATOM 110 ND1 HIS A 9 7.448 -8.941 5.624 1.00 42.25 N flip ATOM 111 CD2 HIS A 9 9.609 -9.021 5.831 1.00 32.30 C flip ATOM 112 CE1 HIS A 9 7.783 -9.338 6.880 1.00 34.31 C flip ATOM 113 NE2 HIS A 9 9.082 -9.379 6.985 1.00 71.20 N flip ATOM 0 H HIS A 9 9.692 -10.560 2.780 1.00 2.44 H new ATOM 0 HA HIS A 9 7.103 -9.295 2.787 1.00 43.00 H new ATOM 0 HB2 HIS A 9 9.919 -8.297 3.341 1.00 11.11 H new ATOM 0 HB3 HIS A 9 8.493 -7.281 3.408 1.00 11.11 H new ATOM 0 HD1 HIS A 9 6.503 -8.818 5.260 1.00 42.25 H new ATOM 0 HD2 HIS A 9 10.666 -8.960 5.617 1.00 32.30 H new ATOM 0 HE1 HIS A 9 7.084 -9.581 7.667 1.00 34.31 H new ATOM 122 N ASN A 10 7.299 -7.661 0.974 1.00 64.34 N ATOM 123 CA ASN A 10 7.078 -6.969 -0.271 1.00 35.23 C ATOM 124 C ASN A 10 6.997 -5.503 0.043 1.00 14.42 C ATOM 125 O ASN A 10 6.194 -5.091 0.888 1.00 22.43 O ATOM 126 CB ASN A 10 5.736 -7.398 -0.882 1.00 23.23 C ATOM 127 CG ASN A 10 5.631 -8.868 -1.249 1.00 71.41 C ATOM 128 OD1 ASN A 10 6.609 -9.512 -1.637 1.00 5.42 O ATOM 129 ND2 ASN A 10 4.446 -9.408 -1.112 1.00 33.35 N ATOM 0 H ASN A 10 6.683 -7.343 1.722 1.00 64.34 H new ATOM 0 HA ASN A 10 7.882 -7.194 -0.972 1.00 35.23 H new ATOM 0 HB2 ASN A 10 4.941 -7.159 -0.176 1.00 23.23 H new ATOM 0 HB3 ASN A 10 5.556 -6.803 -1.777 1.00 23.23 H new ATOM 0 HD21 ASN A 10 4.307 -10.395 -1.329 1.00 33.35 H new ATOM 0 HD22 ASN A 10 3.662 -8.842 -0.788 1.00 33.35 H new ATOM 136 N VAL A 11 7.802 -4.720 -0.597 1.00 70.31 N ATOM 137 CA VAL A 11 7.823 -3.302 -0.324 1.00 52.41 C ATOM 138 C VAL A 11 7.460 -2.511 -1.575 1.00 21.13 C ATOM 139 O VAL A 11 8.122 -2.620 -2.585 1.00 22.45 O ATOM 140 CB VAL A 11 9.229 -2.849 0.175 1.00 41.32 C ATOM 141 CG1 VAL A 11 9.248 -1.362 0.525 1.00 75.41 C ATOM 142 CG2 VAL A 11 9.688 -3.689 1.363 1.00 10.43 C ATOM 0 H VAL A 11 8.458 -5.028 -1.315 1.00 70.31 H new ATOM 0 HA VAL A 11 7.088 -3.107 0.457 1.00 52.41 H new ATOM 0 HB VAL A 11 9.930 -3.007 -0.645 1.00 41.32 H new ATOM 0 HG11 VAL A 11 10.244 -1.082 0.869 1.00 75.41 H new ATOM 0 HG12 VAL A 11 8.991 -0.777 -0.358 1.00 75.41 H new ATOM 0 HG13 VAL A 11 8.523 -1.165 1.314 1.00 75.41 H new ATOM 0 HG21 VAL A 11 10.671 -3.351 1.690 1.00 10.43 H new ATOM 0 HG22 VAL A 11 8.977 -3.581 2.182 1.00 10.43 H new ATOM 0 HG23 VAL A 11 9.744 -4.737 1.068 1.00 10.43 H new ATOM 152 N PHE A 12 6.411 -1.733 -1.502 1.00 63.44 N ATOM 153 CA PHE A 12 6.044 -0.858 -2.593 1.00 23.40 C ATOM 154 C PHE A 12 6.975 0.320 -2.520 1.00 52.33 C ATOM 155 O PHE A 12 7.023 1.012 -1.495 1.00 70.41 O ATOM 156 CB PHE A 12 4.572 -0.398 -2.467 1.00 34.51 C ATOM 157 CG PHE A 12 4.101 0.515 -3.581 1.00 13.22 C ATOM 158 CD1 PHE A 12 4.250 1.892 -3.479 1.00 42.01 C ATOM 159 CD2 PHE A 12 3.511 -0.002 -4.728 1.00 50.24 C ATOM 160 CE1 PHE A 12 3.827 2.724 -4.488 1.00 45.34 C ATOM 161 CE2 PHE A 12 3.089 0.829 -5.736 1.00 13.15 C ATOM 162 CZ PHE A 12 3.247 2.191 -5.617 1.00 33.32 C ATOM 0 H PHE A 12 5.790 -1.685 -0.694 1.00 63.44 H new ATOM 0 HA PHE A 12 6.129 -1.373 -3.550 1.00 23.40 H new ATOM 0 HB2 PHE A 12 3.930 -1.279 -2.441 1.00 34.51 H new ATOM 0 HB3 PHE A 12 4.446 0.117 -1.515 1.00 34.51 H new ATOM 0 HD1 PHE A 12 4.704 2.315 -2.595 1.00 42.01 H new ATOM 0 HD2 PHE A 12 3.383 -1.070 -4.828 1.00 50.24 H new ATOM 0 HE1 PHE A 12 3.949 3.793 -4.395 1.00 45.34 H new ATOM 0 HE2 PHE A 12 2.633 0.414 -6.623 1.00 13.15 H new ATOM 0 HZ PHE A 12 2.915 2.843 -6.411 1.00 33.32 H new ATOM 172 N VAL A 13 7.712 0.560 -3.553 1.00 72.51 N ATOM 173 CA VAL A 13 8.682 1.592 -3.477 1.00 72.32 C ATOM 174 C VAL A 13 8.353 2.758 -4.394 1.00 71.31 C ATOM 175 O VAL A 13 7.896 2.584 -5.526 1.00 54.00 O ATOM 176 CB VAL A 13 10.119 1.061 -3.699 1.00 44.42 C ATOM 177 CG1 VAL A 13 10.331 0.524 -5.101 1.00 42.20 C ATOM 178 CG2 VAL A 13 11.153 2.103 -3.327 1.00 73.14 C ATOM 0 H VAL A 13 7.661 0.064 -4.443 1.00 72.51 H new ATOM 0 HA VAL A 13 8.647 1.978 -2.458 1.00 72.32 H new ATOM 0 HB VAL A 13 10.251 0.213 -3.028 1.00 44.42 H new ATOM 0 HG11 VAL A 13 11.355 0.165 -5.202 1.00 42.20 H new ATOM 0 HG12 VAL A 13 9.639 -0.297 -5.285 1.00 42.20 H new ATOM 0 HG13 VAL A 13 10.152 1.318 -5.826 1.00 42.20 H new ATOM 0 HG21 VAL A 13 12.152 1.700 -3.494 1.00 73.14 H new ATOM 0 HG22 VAL A 13 11.012 2.991 -3.943 1.00 73.14 H new ATOM 0 HG23 VAL A 13 11.040 2.369 -2.276 1.00 73.14 H new ATOM 188 N TYR A 14 8.574 3.934 -3.860 1.00 25.11 N ATOM 189 CA TYR A 14 8.287 5.191 -4.510 1.00 51.15 C ATOM 190 C TYR A 14 9.293 5.453 -5.641 1.00 14.23 C ATOM 191 O TYR A 14 8.942 5.993 -6.681 1.00 62.54 O ATOM 192 CB TYR A 14 8.394 6.277 -3.449 1.00 51.31 C ATOM 193 CG TYR A 14 7.864 7.636 -3.821 1.00 74.03 C ATOM 194 CD1 TYR A 14 8.650 8.580 -4.470 1.00 12.12 C ATOM 195 CD2 TYR A 14 6.574 7.984 -3.485 1.00 13.42 C ATOM 196 CE1 TYR A 14 8.142 9.829 -4.769 1.00 44.42 C ATOM 197 CE2 TYR A 14 6.074 9.223 -3.774 1.00 0.13 C ATOM 198 CZ TYR A 14 6.850 10.137 -4.412 1.00 70.33 C ATOM 199 OH TYR A 14 6.337 11.371 -4.669 1.00 2.12 O ATOM 0 H TYR A 14 8.973 4.047 -2.928 1.00 25.11 H new ATOM 0 HA TYR A 14 7.291 5.176 -4.953 1.00 51.15 H new ATOM 0 HB2 TYR A 14 7.865 5.937 -2.559 1.00 51.31 H new ATOM 0 HB3 TYR A 14 9.444 6.384 -3.175 1.00 51.31 H new ATOM 0 HD1 TYR A 14 9.666 8.335 -4.743 1.00 12.12 H new ATOM 0 HD2 TYR A 14 5.945 7.263 -2.983 1.00 13.42 H new ATOM 0 HE1 TYR A 14 8.754 10.558 -5.279 1.00 44.42 H new ATOM 0 HE2 TYR A 14 5.062 9.475 -3.495 1.00 0.13 H new ATOM 0 HH TYR A 14 6.135 11.449 -5.625 1.00 2.12 H new ATOM 209 N GLY A 15 10.535 5.062 -5.416 1.00 24.12 N ATOM 210 CA GLY A 15 11.573 5.261 -6.397 1.00 21.11 C ATOM 211 C GLY A 15 12.895 4.740 -5.891 1.00 61.15 C ATOM 212 O GLY A 15 12.940 4.136 -4.818 1.00 42.42 O ATOM 0 H GLY A 15 10.844 4.604 -4.559 1.00 24.12 H new ATOM 0 HA2 GLY A 15 11.307 4.752 -7.323 1.00 21.11 H new ATOM 0 HA3 GLY A 15 11.660 6.322 -6.630 1.00 21.11 H new ATOM 216 N SER A 16 13.953 4.953 -6.660 1.00 33.23 N ATOM 217 CA SER A 16 15.326 4.547 -6.314 1.00 62.14 C ATOM 218 C SER A 16 15.544 3.017 -6.344 1.00 14.42 C ATOM 219 O SER A 16 16.257 2.522 -7.200 1.00 12.14 O ATOM 220 CB SER A 16 15.784 5.170 -4.987 1.00 33.22 C ATOM 221 OG SER A 16 15.695 6.592 -5.047 1.00 45.13 O ATOM 0 H SER A 16 13.890 5.422 -7.563 1.00 33.23 H new ATOM 0 HA SER A 16 15.964 4.946 -7.103 1.00 62.14 H new ATOM 0 HB2 SER A 16 15.167 4.795 -4.170 1.00 33.22 H new ATOM 0 HB3 SER A 16 16.811 4.872 -4.774 1.00 33.22 H new ATOM 0 HG SER A 16 15.988 6.974 -4.194 1.00 45.13 H new ATOM 227 N ILE A 17 14.885 2.273 -5.448 1.00 54.32 N ATOM 228 CA ILE A 17 15.065 0.806 -5.361 1.00 15.11 C ATOM 229 C ILE A 17 14.466 0.117 -6.615 1.00 72.43 C ATOM 230 O ILE A 17 14.652 -1.076 -6.847 1.00 34.14 O ATOM 231 CB ILE A 17 14.423 0.229 -4.067 1.00 45.50 C ATOM 232 CG1 ILE A 17 14.917 1.006 -2.856 1.00 42.22 C ATOM 233 CG2 ILE A 17 14.862 -1.225 -3.899 1.00 21.14 C ATOM 234 CD1 ILE A 17 14.159 0.737 -1.578 1.00 53.51 C ATOM 0 H ILE A 17 14.223 2.654 -4.772 1.00 54.32 H new ATOM 0 HA ILE A 17 16.135 0.602 -5.320 1.00 15.11 H new ATOM 0 HB ILE A 17 13.338 0.303 -4.145 1.00 45.50 H new ATOM 0 HG12 ILE A 17 15.969 0.769 -2.695 1.00 42.22 H new ATOM 0 HG13 ILE A 17 14.860 2.072 -3.078 1.00 42.22 H new ATOM 0 HG21 ILE A 17 14.416 -1.637 -2.994 1.00 21.14 H new ATOM 0 HG22 ILE A 17 14.535 -1.806 -4.762 1.00 21.14 H new ATOM 0 HG23 ILE A 17 15.948 -1.270 -3.822 1.00 21.14 H new ATOM 0 HD11 ILE A 17 14.582 1.335 -0.771 1.00 53.51 H new ATOM 0 HD12 ILE A 17 13.110 1.002 -1.714 1.00 53.51 H new ATOM 0 HD13 ILE A 17 14.236 -0.320 -1.325 1.00 53.51 H new ATOM 246 N LEU A 18 13.757 0.911 -7.426 1.00 44.03 N ATOM 247 CA LEU A 18 13.232 0.457 -8.713 1.00 12.43 C ATOM 248 C LEU A 18 14.394 0.048 -9.600 1.00 31.00 C ATOM 249 O LEU A 18 14.271 -0.816 -10.461 1.00 51.22 O ATOM 250 CB LEU A 18 12.452 1.586 -9.406 1.00 43.44 C ATOM 251 CG LEU A 18 11.213 2.119 -8.683 1.00 44.40 C ATOM 252 CD1 LEU A 18 10.608 3.273 -9.460 1.00 61.44 C ATOM 253 CD2 LEU A 18 10.186 1.018 -8.512 1.00 51.42 C ATOM 0 H LEU A 18 13.533 1.882 -7.207 1.00 44.03 H new ATOM 0 HA LEU A 18 12.561 -0.386 -8.545 1.00 12.43 H new ATOM 0 HB2 LEU A 18 13.135 2.420 -9.568 1.00 43.44 H new ATOM 0 HB3 LEU A 18 12.144 1.231 -10.389 1.00 43.44 H new ATOM 0 HG LEU A 18 11.515 2.474 -7.698 1.00 44.40 H new ATOM 0 HD11 LEU A 18 9.727 3.643 -8.935 1.00 61.44 H new ATOM 0 HD12 LEU A 18 11.341 4.075 -9.550 1.00 61.44 H new ATOM 0 HD13 LEU A 18 10.321 2.931 -10.454 1.00 61.44 H new ATOM 0 HD21 LEU A 18 9.311 1.414 -7.996 1.00 51.42 H new ATOM 0 HD22 LEU A 18 9.890 0.641 -9.491 1.00 51.42 H new ATOM 0 HD23 LEU A 18 10.617 0.206 -7.926 1.00 51.42 H new ATOM 265 N GLU A 19 15.516 0.683 -9.370 1.00 65.21 N ATOM 266 CA GLU A 19 16.718 0.416 -10.074 1.00 1.21 C ATOM 267 C GLU A 19 17.463 -0.709 -9.328 1.00 34.23 C ATOM 268 O GLU A 19 17.880 -0.532 -8.180 1.00 12.45 O ATOM 269 CB GLU A 19 17.531 1.715 -10.163 1.00 33.24 C ATOM 270 CG GLU A 19 16.741 2.833 -10.856 1.00 73.32 C ATOM 271 CD GLU A 19 17.448 4.166 -10.901 1.00 53.42 C ATOM 272 OE1 GLU A 19 17.279 4.980 -9.955 1.00 4.33 O ATOM 273 OE2 GLU A 19 18.145 4.449 -11.892 1.00 74.40 O ATOM 0 H GLU A 19 15.608 1.417 -8.667 1.00 65.21 H new ATOM 0 HA GLU A 19 16.535 0.079 -11.094 1.00 1.21 H new ATOM 0 HB2 GLU A 19 17.814 2.037 -9.161 1.00 33.24 H new ATOM 0 HB3 GLU A 19 18.455 1.529 -10.711 1.00 33.24 H new ATOM 0 HG2 GLU A 19 16.515 2.522 -11.876 1.00 73.32 H new ATOM 0 HG3 GLU A 19 15.788 2.959 -10.342 1.00 73.32 H new ATOM 280 N PRO A 20 17.600 -1.897 -9.980 1.00 63.50 N ATOM 281 CA PRO A 20 18.176 -3.130 -9.384 1.00 74.33 C ATOM 282 C PRO A 20 19.501 -2.949 -8.626 1.00 32.35 C ATOM 283 O PRO A 20 19.793 -3.712 -7.693 1.00 51.11 O ATOM 284 CB PRO A 20 18.378 -4.041 -10.593 1.00 34.22 C ATOM 285 CG PRO A 20 17.325 -3.620 -11.549 1.00 71.14 C ATOM 286 CD PRO A 20 17.172 -2.135 -11.374 1.00 61.13 C ATOM 0 HA PRO A 20 17.508 -3.516 -8.614 1.00 74.33 H new ATOM 0 HB2 PRO A 20 19.374 -3.921 -11.020 1.00 34.22 H new ATOM 0 HB3 PRO A 20 18.272 -5.091 -10.322 1.00 34.22 H new ATOM 0 HG2 PRO A 20 17.608 -3.865 -12.573 1.00 71.14 H new ATOM 0 HG3 PRO A 20 16.386 -4.135 -11.346 1.00 71.14 H new ATOM 0 HD2 PRO A 20 17.791 -1.583 -12.082 1.00 61.13 H new ATOM 0 HD3 PRO A 20 16.142 -1.817 -11.536 1.00 61.13 H new ATOM 294 N ALA A 21 20.296 -1.967 -9.006 1.00 63.51 N ATOM 295 CA ALA A 21 21.568 -1.727 -8.333 1.00 32.44 C ATOM 296 C ALA A 21 21.347 -1.162 -6.936 1.00 34.44 C ATOM 297 O ALA A 21 22.132 -1.413 -6.022 1.00 3.33 O ATOM 298 CB ALA A 21 22.443 -0.807 -9.146 1.00 43.44 C ATOM 0 H ALA A 21 20.090 -1.324 -9.771 1.00 63.51 H new ATOM 0 HA ALA A 21 22.080 -2.684 -8.235 1.00 32.44 H new ATOM 0 HB1 ALA A 21 23.385 -0.644 -8.622 1.00 43.44 H new ATOM 0 HB2 ALA A 21 22.641 -1.258 -10.118 1.00 43.44 H new ATOM 0 HB3 ALA A 21 21.936 0.148 -9.286 1.00 43.44 H new ATOM 304 N VAL A 22 20.259 -0.436 -6.769 1.00 51.33 N ATOM 305 CA VAL A 22 19.913 0.156 -5.496 1.00 41.44 C ATOM 306 C VAL A 22 19.346 -0.922 -4.572 1.00 62.13 C ATOM 307 O VAL A 22 19.598 -0.929 -3.372 1.00 62.53 O ATOM 308 CB VAL A 22 18.901 1.314 -5.661 1.00 43.25 C ATOM 309 CG1 VAL A 22 18.542 1.931 -4.312 1.00 23.12 C ATOM 310 CG2 VAL A 22 19.461 2.376 -6.602 1.00 61.21 C ATOM 0 H VAL A 22 19.591 -0.241 -7.514 1.00 51.33 H new ATOM 0 HA VAL A 22 20.817 0.577 -5.056 1.00 41.44 H new ATOM 0 HB VAL A 22 17.988 0.906 -6.095 1.00 43.25 H new ATOM 0 HG11 VAL A 22 17.829 2.742 -4.461 1.00 23.12 H new ATOM 0 HG12 VAL A 22 18.097 1.170 -3.671 1.00 23.12 H new ATOM 0 HG13 VAL A 22 19.443 2.322 -3.840 1.00 23.12 H new ATOM 0 HG21 VAL A 22 18.738 3.185 -6.709 1.00 61.21 H new ATOM 0 HG22 VAL A 22 20.390 2.772 -6.192 1.00 61.21 H new ATOM 0 HG23 VAL A 22 19.655 1.931 -7.578 1.00 61.21 H new ATOM 320 N ALA A 23 18.606 -1.853 -5.139 1.00 63.12 N ATOM 321 CA ALA A 23 18.106 -2.977 -4.352 1.00 52.41 C ATOM 322 C ALA A 23 19.292 -3.828 -3.899 1.00 1.21 C ATOM 323 O ALA A 23 19.311 -4.363 -2.787 1.00 20.14 O ATOM 324 CB ALA A 23 17.128 -3.811 -5.166 1.00 53.41 C ATOM 0 H ALA A 23 18.338 -1.861 -6.123 1.00 63.12 H new ATOM 0 HA ALA A 23 17.572 -2.601 -3.479 1.00 52.41 H new ATOM 0 HB1 ALA A 23 16.768 -4.643 -4.561 1.00 53.41 H new ATOM 0 HB2 ALA A 23 16.285 -3.190 -5.468 1.00 53.41 H new ATOM 0 HB3 ALA A 23 17.630 -4.198 -6.053 1.00 53.41 H new ATOM 330 N ALA A 24 20.305 -3.885 -4.751 1.00 25.23 N ATOM 331 CA ALA A 24 21.511 -4.640 -4.476 1.00 11.14 C ATOM 332 C ALA A 24 22.370 -3.971 -3.404 1.00 70.41 C ATOM 333 O ALA A 24 23.238 -4.609 -2.829 1.00 74.21 O ATOM 334 CB ALA A 24 22.312 -4.860 -5.743 1.00 11.23 C ATOM 0 H ALA A 24 20.311 -3.407 -5.652 1.00 25.23 H new ATOM 0 HA ALA A 24 21.202 -5.611 -4.089 1.00 11.14 H new ATOM 0 HB1 ALA A 24 23.212 -5.429 -5.510 1.00 11.23 H new ATOM 0 HB2 ALA A 24 21.709 -5.413 -6.463 1.00 11.23 H new ATOM 0 HB3 ALA A 24 22.592 -3.896 -6.169 1.00 11.23 H new ATOM 340 N VAL A 25 22.143 -2.692 -3.134 1.00 21.45 N ATOM 341 CA VAL A 25 22.901 -2.045 -2.073 1.00 70.44 C ATOM 342 C VAL A 25 22.170 -2.147 -0.749 1.00 12.44 C ATOM 343 O VAL A 25 22.787 -2.121 0.311 1.00 42.53 O ATOM 344 CB VAL A 25 23.291 -0.564 -2.363 1.00 33.13 C ATOM 345 CG1 VAL A 25 24.079 -0.449 -3.642 1.00 74.42 C ATOM 346 CG2 VAL A 25 22.101 0.365 -2.373 1.00 40.32 C ATOM 0 H VAL A 25 21.466 -2.100 -3.615 1.00 21.45 H new ATOM 0 HA VAL A 25 23.842 -2.593 -2.021 1.00 70.44 H new ATOM 0 HB VAL A 25 23.927 -0.245 -1.537 1.00 33.13 H new ATOM 0 HG11 VAL A 25 24.337 0.595 -3.818 1.00 74.42 H new ATOM 0 HG12 VAL A 25 24.992 -1.039 -3.561 1.00 74.42 H new ATOM 0 HG13 VAL A 25 23.479 -0.820 -4.473 1.00 74.42 H new ATOM 0 HG21 VAL A 25 22.435 1.382 -2.580 1.00 40.32 H new ATOM 0 HG22 VAL A 25 21.399 0.049 -3.145 1.00 40.32 H new ATOM 0 HG23 VAL A 25 21.608 0.336 -1.401 1.00 40.32 H new ATOM 356 N ILE A 26 20.852 -2.285 -0.806 1.00 14.03 N ATOM 357 CA ILE A 26 20.088 -2.391 0.403 1.00 10.45 C ATOM 358 C ILE A 26 19.991 -3.839 0.900 1.00 64.41 C ATOM 359 O ILE A 26 20.204 -4.113 2.073 1.00 63.34 O ATOM 360 CB ILE A 26 18.691 -1.699 0.315 1.00 2.43 C ATOM 361 CG1 ILE A 26 18.009 -1.784 1.662 1.00 34.33 C ATOM 362 CG2 ILE A 26 17.830 -2.298 -0.778 1.00 5.03 C ATOM 363 CD1 ILE A 26 17.001 -0.737 1.863 1.00 61.41 C ATOM 0 H ILE A 26 20.308 -2.324 -1.668 1.00 14.03 H new ATOM 0 HA ILE A 26 20.644 -1.833 1.156 1.00 10.45 H new ATOM 0 HB ILE A 26 18.837 -0.652 0.051 1.00 2.43 H new ATOM 0 HG12 ILE A 26 17.535 -2.760 1.762 1.00 34.33 H new ATOM 0 HG13 ILE A 26 18.760 -1.713 2.448 1.00 34.33 H new ATOM 0 HG21 ILE A 26 16.867 -1.787 -0.804 1.00 5.03 H new ATOM 0 HG22 ILE A 26 18.329 -2.181 -1.740 1.00 5.03 H new ATOM 0 HG23 ILE A 26 17.673 -3.358 -0.578 1.00 5.03 H new ATOM 0 HD11 ILE A 26 16.548 -0.852 2.848 1.00 61.41 H new ATOM 0 HD12 ILE A 26 17.475 0.242 1.794 1.00 61.41 H new ATOM 0 HD13 ILE A 26 16.230 -0.822 1.097 1.00 61.41 H new ATOM 375 N LEU A 27 19.712 -4.765 0.007 1.00 4.31 N ATOM 376 CA LEU A 27 19.617 -6.171 0.392 1.00 53.14 C ATOM 377 C LEU A 27 20.951 -6.829 0.293 1.00 51.14 C ATOM 378 O LEU A 27 21.162 -7.896 0.852 1.00 40.45 O ATOM 379 CB LEU A 27 18.688 -6.926 -0.546 1.00 62.43 C ATOM 380 CG LEU A 27 17.254 -6.485 -0.614 1.00 41.50 C ATOM 381 CD1 LEU A 27 16.519 -7.342 -1.592 1.00 64.41 C ATOM 382 CD2 LEU A 27 16.610 -6.598 0.723 1.00 14.42 C ATOM 0 H LEU A 27 19.547 -4.580 -0.982 1.00 4.31 H new ATOM 0 HA LEU A 27 19.240 -6.198 1.414 1.00 53.14 H new ATOM 0 HB2 LEU A 27 19.105 -6.866 -1.551 1.00 62.43 H new ATOM 0 HB3 LEU A 27 18.702 -7.977 -0.258 1.00 62.43 H new ATOM 0 HG LEU A 27 17.221 -5.443 -0.933 1.00 41.50 H new ATOM 0 HD11 LEU A 27 15.478 -7.024 -1.644 1.00 64.41 H new ATOM 0 HD12 LEU A 27 16.977 -7.246 -2.576 1.00 64.41 H new ATOM 0 HD13 LEU A 27 16.565 -8.383 -1.271 1.00 64.41 H new ATOM 0 HD21 LEU A 27 15.571 -6.274 0.655 1.00 14.42 H new ATOM 0 HD22 LEU A 27 16.646 -7.635 1.058 1.00 14.42 H new ATOM 0 HD23 LEU A 27 17.140 -5.968 1.437 1.00 14.42 H new ATOM 394 N ASP A 28 21.844 -6.184 -0.457 1.00 44.12 N ATOM 395 CA ASP A 28 23.158 -6.741 -0.843 1.00 41.05 C ATOM 396 C ASP A 28 22.930 -7.864 -1.877 1.00 11.13 C ATOM 397 O ASP A 28 23.830 -8.591 -2.280 1.00 71.13 O ATOM 398 CB ASP A 28 23.986 -7.211 0.380 1.00 54.44 C ATOM 399 CG ASP A 28 25.375 -7.671 0.005 1.00 10.40 C ATOM 400 OD1 ASP A 28 26.227 -6.808 -0.324 1.00 25.20 O ATOM 401 OD2 ASP A 28 25.635 -8.893 0.013 1.00 44.54 O ATOM 0 H ASP A 28 21.681 -5.246 -0.823 1.00 44.12 H new ATOM 0 HA ASP A 28 23.761 -5.956 -1.299 1.00 41.05 H new ATOM 0 HB2 ASP A 28 24.060 -6.394 1.098 1.00 54.44 H new ATOM 0 HB3 ASP A 28 23.460 -8.026 0.877 1.00 54.44 H new ATOM 406 N ARG A 29 21.702 -7.917 -2.338 1.00 25.32 N ATOM 407 CA ARG A 29 21.214 -8.886 -3.266 1.00 4.41 C ATOM 408 C ARG A 29 20.239 -8.168 -4.170 1.00 40.30 C ATOM 409 O ARG A 29 19.551 -7.249 -3.724 1.00 41.43 O ATOM 410 CB ARG A 29 20.493 -9.993 -2.485 1.00 21.53 C ATOM 411 CG ARG A 29 19.920 -11.122 -3.323 1.00 43.23 C ATOM 412 CD ARG A 29 19.224 -12.149 -2.443 1.00 73.13 C ATOM 413 NE ARG A 29 18.061 -11.583 -1.724 1.00 62.23 N ATOM 414 CZ ARG A 29 17.908 -11.577 -0.384 1.00 53.11 C ATOM 415 NH1 ARG A 29 18.924 -11.910 0.399 1.00 43.03 N ATOM 416 NH2 ARG A 29 16.748 -11.192 0.163 1.00 23.52 N ATOM 0 H ARG A 29 20.987 -7.247 -2.055 1.00 25.32 H new ATOM 0 HA ARG A 29 22.018 -9.336 -3.849 1.00 4.41 H new ATOM 0 HB2 ARG A 29 21.192 -10.418 -1.764 1.00 21.53 H new ATOM 0 HB3 ARG A 29 19.682 -9.541 -1.914 1.00 21.53 H new ATOM 0 HG2 ARG A 29 19.213 -10.720 -4.049 1.00 43.23 H new ATOM 0 HG3 ARG A 29 20.718 -11.602 -3.888 1.00 43.23 H new ATOM 0 HD2 ARG A 29 18.895 -12.986 -3.058 1.00 73.13 H new ATOM 0 HD3 ARG A 29 19.936 -12.546 -1.720 1.00 73.13 H new ATOM 0 HE ARG A 29 17.318 -11.165 -2.285 1.00 62.23 H new ATOM 0 HH11 ARG A 29 19.821 -12.170 -0.012 1.00 43.03 H new ATOM 0 HH12 ARG A 29 18.809 -11.906 1.413 1.00 43.03 H new ATOM 0 HH21 ARG A 29 15.974 -10.901 -0.434 1.00 23.52 H new ATOM 0 HH22 ARG A 29 16.638 -11.190 1.177 1.00 23.52 H new ATOM 430 N THR A 30 20.190 -8.539 -5.407 1.00 63.25 N ATOM 431 CA THR A 30 19.301 -7.907 -6.337 1.00 42.42 C ATOM 432 C THR A 30 17.881 -8.469 -6.182 1.00 4.42 C ATOM 433 O THR A 30 17.655 -9.657 -6.373 1.00 3.22 O ATOM 434 CB THR A 30 19.802 -8.112 -7.782 1.00 52.13 C ATOM 435 OG1 THR A 30 21.157 -7.626 -7.880 1.00 61.41 O ATOM 436 CG2 THR A 30 18.926 -7.351 -8.771 1.00 2.34 C ATOM 0 H THR A 30 20.761 -9.285 -5.805 1.00 63.25 H new ATOM 0 HA THR A 30 19.278 -6.838 -6.125 1.00 42.42 H new ATOM 0 HB THR A 30 19.758 -9.174 -8.023 1.00 52.13 H new ATOM 0 HG1 THR A 30 21.485 -7.754 -8.795 1.00 61.41 H new ATOM 0 HG21 THR A 30 19.298 -7.510 -9.783 1.00 2.34 H new ATOM 0 HG22 THR A 30 17.900 -7.712 -8.700 1.00 2.34 H new ATOM 0 HG23 THR A 30 18.953 -6.287 -8.537 1.00 2.34 H new ATOM 444 N ALA A 31 16.951 -7.620 -5.802 1.00 32.24 N ATOM 445 CA ALA A 31 15.564 -8.022 -5.673 1.00 55.14 C ATOM 446 C ALA A 31 14.826 -7.683 -6.922 1.00 61.14 C ATOM 447 O ALA A 31 15.233 -6.787 -7.672 1.00 30.43 O ATOM 448 CB ALA A 31 14.904 -7.329 -4.513 1.00 52.50 C ATOM 0 H ALA A 31 17.130 -6.642 -5.576 1.00 32.24 H new ATOM 0 HA ALA A 31 15.539 -9.098 -5.499 1.00 55.14 H new ATOM 0 HB1 ALA A 31 13.865 -7.650 -4.441 1.00 52.50 H new ATOM 0 HB2 ALA A 31 15.427 -7.584 -3.591 1.00 52.50 H new ATOM 0 HB3 ALA A 31 14.941 -6.250 -4.665 1.00 52.50 H new ATOM 454 N ASP A 32 13.752 -8.374 -7.153 1.00 1.31 N ATOM 455 CA ASP A 32 12.951 -8.130 -8.315 1.00 52.24 C ATOM 456 C ASP A 32 11.773 -7.282 -7.964 1.00 15.34 C ATOM 457 O ASP A 32 11.008 -7.604 -7.027 1.00 4.40 O ATOM 458 CB ASP A 32 12.465 -9.430 -8.968 1.00 73.44 C ATOM 459 CG ASP A 32 13.580 -10.326 -9.438 1.00 70.24 C ATOM 460 OD1 ASP A 32 14.118 -10.098 -10.545 1.00 22.25 O ATOM 461 OD2 ASP A 32 13.922 -11.296 -8.718 1.00 62.11 O ATOM 0 H ASP A 32 13.407 -9.118 -6.547 1.00 1.31 H new ATOM 0 HA ASP A 32 13.584 -7.609 -9.034 1.00 52.24 H new ATOM 0 HB2 ASP A 32 11.849 -9.976 -8.254 1.00 73.44 H new ATOM 0 HB3 ASP A 32 11.827 -9.183 -9.817 1.00 73.44 H new ATOM 466 N THR A 33 11.627 -6.196 -8.661 1.00 42.22 N ATOM 467 CA THR A 33 10.481 -5.384 -8.508 1.00 23.42 C ATOM 468 C THR A 33 9.459 -5.777 -9.553 1.00 21.31 C ATOM 469 O THR A 33 9.818 -6.119 -10.684 1.00 60.13 O ATOM 470 CB THR A 33 10.808 -3.875 -8.657 1.00 11.45 C ATOM 471 OG1 THR A 33 11.653 -3.635 -9.799 1.00 3.42 O ATOM 472 CG2 THR A 33 11.412 -3.279 -7.405 1.00 63.20 C ATOM 0 H THR A 33 12.302 -5.857 -9.347 1.00 42.22 H new ATOM 0 HA THR A 33 10.091 -5.540 -7.502 1.00 23.42 H new ATOM 0 HB THR A 33 9.856 -3.369 -8.818 1.00 11.45 H new ATOM 0 HG1 THR A 33 11.842 -2.676 -9.870 1.00 3.42 H new ATOM 0 HG21 THR A 33 11.620 -2.222 -7.569 1.00 63.20 H new ATOM 0 HG22 THR A 33 10.712 -3.387 -6.576 1.00 63.20 H new ATOM 0 HG23 THR A 33 12.340 -3.798 -7.166 1.00 63.20 H new ATOM 480 N VAL A 34 8.213 -5.745 -9.191 1.00 34.23 N ATOM 481 CA VAL A 34 7.146 -6.027 -10.124 1.00 22.31 C ATOM 482 C VAL A 34 6.109 -4.921 -10.043 1.00 53.54 C ATOM 483 O VAL A 34 5.820 -4.429 -8.943 1.00 60.45 O ATOM 484 CB VAL A 34 6.489 -7.439 -9.913 1.00 74.24 C ATOM 485 CG1 VAL A 34 7.487 -8.555 -10.205 1.00 22.42 C ATOM 486 CG2 VAL A 34 5.947 -7.593 -8.504 1.00 72.52 C ATOM 0 H VAL A 34 7.900 -5.524 -8.246 1.00 34.23 H new ATOM 0 HA VAL A 34 7.581 -6.057 -11.123 1.00 22.31 H new ATOM 0 HB VAL A 34 5.658 -7.515 -10.614 1.00 74.24 H new ATOM 0 HG11 VAL A 34 7.007 -9.522 -10.051 1.00 22.42 H new ATOM 0 HG12 VAL A 34 7.827 -8.478 -11.238 1.00 22.42 H new ATOM 0 HG13 VAL A 34 8.342 -8.464 -9.535 1.00 22.42 H new ATOM 0 HG21 VAL A 34 5.500 -8.581 -8.392 1.00 72.52 H new ATOM 0 HG22 VAL A 34 6.760 -7.480 -7.787 1.00 72.52 H new ATOM 0 HG23 VAL A 34 5.191 -6.829 -8.319 1.00 72.52 H new ATOM 496 N PRO A 35 5.578 -4.477 -11.191 1.00 33.12 N ATOM 497 CA PRO A 35 4.609 -3.374 -11.259 1.00 63.44 C ATOM 498 C PRO A 35 3.371 -3.609 -10.390 1.00 64.31 C ATOM 499 O PRO A 35 2.751 -4.688 -10.428 1.00 32.03 O ATOM 500 CB PRO A 35 4.226 -3.308 -12.746 1.00 65.31 C ATOM 501 CG PRO A 35 4.668 -4.608 -13.315 1.00 54.14 C ATOM 502 CD PRO A 35 5.871 -5.013 -12.531 1.00 53.41 C ATOM 0 HA PRO A 35 5.038 -2.447 -10.878 1.00 63.44 H new ATOM 0 HB2 PRO A 35 3.152 -3.167 -12.871 1.00 65.31 H new ATOM 0 HB3 PRO A 35 4.717 -2.472 -13.243 1.00 65.31 H new ATOM 0 HG2 PRO A 35 3.880 -5.357 -13.235 1.00 54.14 H new ATOM 0 HG3 PRO A 35 4.908 -4.509 -14.374 1.00 54.14 H new ATOM 0 HD2 PRO A 35 5.999 -6.095 -12.515 1.00 53.41 H new ATOM 0 HD3 PRO A 35 6.786 -4.590 -12.945 1.00 53.41 H new ATOM 510 N ALA A 36 3.046 -2.618 -9.589 1.00 2.34 N ATOM 511 CA ALA A 36 1.896 -2.658 -8.720 1.00 4.31 C ATOM 512 C ALA A 36 1.363 -1.266 -8.497 1.00 54.31 C ATOM 513 O ALA A 36 2.088 -0.290 -8.657 1.00 70.30 O ATOM 514 CB ALA A 36 2.224 -3.308 -7.405 1.00 14.23 C ATOM 0 H ALA A 36 3.581 -1.752 -9.524 1.00 2.34 H new ATOM 0 HA ALA A 36 1.129 -3.260 -9.207 1.00 4.31 H new ATOM 0 HB1 ALA A 36 1.335 -3.322 -6.774 1.00 14.23 H new ATOM 0 HB2 ALA A 36 2.562 -4.330 -7.578 1.00 14.23 H new ATOM 0 HB3 ALA A 36 3.013 -2.745 -6.908 1.00 14.23 H new ATOM 520 N VAL A 37 0.116 -1.158 -8.141 1.00 14.34 N ATOM 521 CA VAL A 37 -0.460 0.133 -7.905 1.00 61.20 C ATOM 522 C VAL A 37 -1.072 0.235 -6.494 1.00 42.44 C ATOM 523 O VAL A 37 -1.883 -0.605 -6.077 1.00 15.25 O ATOM 524 CB VAL A 37 -1.479 0.526 -9.010 1.00 62.54 C ATOM 525 CG1 VAL A 37 -2.680 -0.404 -9.038 1.00 33.14 C ATOM 526 CG2 VAL A 37 -1.902 1.964 -8.871 1.00 33.12 C ATOM 0 H VAL A 37 -0.519 -1.945 -8.008 1.00 14.34 H new ATOM 0 HA VAL A 37 0.352 0.858 -7.954 1.00 61.20 H new ATOM 0 HB VAL A 37 -0.972 0.416 -9.968 1.00 62.54 H new ATOM 0 HG11 VAL A 37 -3.365 -0.090 -9.826 1.00 33.14 H new ATOM 0 HG12 VAL A 37 -2.346 -1.423 -9.232 1.00 33.14 H new ATOM 0 HG13 VAL A 37 -3.192 -0.366 -8.076 1.00 33.14 H new ATOM 0 HG21 VAL A 37 -2.615 2.211 -9.657 1.00 33.12 H new ATOM 0 HG22 VAL A 37 -2.369 2.113 -7.898 1.00 33.12 H new ATOM 0 HG23 VAL A 37 -1.028 2.610 -8.957 1.00 33.12 H new ATOM 536 N LEU A 38 -0.660 1.246 -5.778 1.00 3.14 N ATOM 537 CA LEU A 38 -1.099 1.493 -4.437 1.00 15.45 C ATOM 538 C LEU A 38 -2.332 2.360 -4.392 1.00 3.34 C ATOM 539 O LEU A 38 -2.257 3.577 -4.476 1.00 64.44 O ATOM 540 CB LEU A 38 0.029 2.093 -3.582 1.00 21.31 C ATOM 541 CG LEU A 38 -0.358 2.553 -2.168 1.00 20.44 C ATOM 542 CD1 LEU A 38 -1.084 1.468 -1.416 1.00 74.53 C ATOM 543 CD2 LEU A 38 0.877 2.946 -1.404 1.00 15.43 C ATOM 0 H LEU A 38 0.007 1.936 -6.123 1.00 3.14 H new ATOM 0 HA LEU A 38 -1.370 0.527 -4.010 1.00 15.45 H new ATOM 0 HB2 LEU A 38 0.823 1.352 -3.495 1.00 21.31 H new ATOM 0 HB3 LEU A 38 0.447 2.946 -4.117 1.00 21.31 H new ATOM 0 HG LEU A 38 -1.025 3.409 -2.266 1.00 20.44 H new ATOM 0 HD11 LEU A 38 -1.343 1.827 -0.420 1.00 74.53 H new ATOM 0 HD12 LEU A 38 -1.994 1.199 -1.953 1.00 74.53 H new ATOM 0 HD13 LEU A 38 -0.441 0.592 -1.330 1.00 74.53 H new ATOM 0 HD21 LEU A 38 0.597 3.271 -0.402 1.00 15.43 H new ATOM 0 HD22 LEU A 38 1.549 2.090 -1.333 1.00 15.43 H new ATOM 0 HD23 LEU A 38 1.381 3.761 -1.922 1.00 15.43 H new ATOM 555 N HIS A 39 -3.451 1.717 -4.311 1.00 73.45 N ATOM 556 CA HIS A 39 -4.718 2.388 -4.137 1.00 60.21 C ATOM 557 C HIS A 39 -4.845 2.990 -2.748 1.00 73.52 C ATOM 558 O HIS A 39 -4.604 2.312 -1.744 1.00 22.42 O ATOM 559 CB HIS A 39 -5.909 1.454 -4.456 1.00 1.41 C ATOM 560 CG HIS A 39 -5.936 0.103 -3.726 1.00 60.31 C ATOM 561 ND1 HIS A 39 -5.682 -1.089 -4.365 1.00 11.12 N ATOM 562 CD2 HIS A 39 -6.221 -0.233 -2.433 1.00 70.22 C ATOM 563 CE1 HIS A 39 -5.798 -2.091 -3.509 1.00 22.52 C ATOM 564 NE2 HIS A 39 -6.124 -1.605 -2.336 1.00 34.23 N ATOM 0 H HIS A 39 -3.522 0.701 -4.363 1.00 73.45 H new ATOM 0 HA HIS A 39 -4.747 3.208 -4.854 1.00 60.21 H new ATOM 0 HB2 HIS A 39 -6.831 1.986 -4.223 1.00 1.41 H new ATOM 0 HB3 HIS A 39 -5.914 1.262 -5.529 1.00 1.41 H new ATOM 0 HD2 HIS A 39 -6.475 0.449 -1.635 1.00 70.22 H new ATOM 0 HE1 HIS A 39 -5.649 -3.136 -3.738 1.00 22.52 H new ATOM 0 HE2 HIS A 39 -6.280 -2.152 -1.490 1.00 34.23 H new ATOM 573 N GLY A 40 -5.188 4.256 -2.696 1.00 54.20 N ATOM 574 CA GLY A 40 -5.390 4.900 -1.429 1.00 34.03 C ATOM 575 C GLY A 40 -4.420 6.021 -1.198 1.00 74.42 C ATOM 576 O GLY A 40 -4.660 6.894 -0.371 1.00 63.04 O ATOM 0 H GLY A 40 -5.331 4.852 -3.511 1.00 54.20 H new ATOM 0 HA2 GLY A 40 -6.408 5.287 -1.379 1.00 34.03 H new ATOM 0 HA3 GLY A 40 -5.289 4.165 -0.630 1.00 34.03 H new ATOM 580 N TYR A 41 -3.326 6.013 -1.920 1.00 14.11 N ATOM 581 CA TYR A 41 -2.332 7.035 -1.766 1.00 24.45 C ATOM 582 C TYR A 41 -2.176 7.890 -2.988 1.00 14.20 C ATOM 583 O TYR A 41 -2.551 7.504 -4.089 1.00 23.05 O ATOM 584 CB TYR A 41 -0.999 6.448 -1.332 1.00 44.52 C ATOM 585 CG TYR A 41 -0.974 6.028 0.110 1.00 74.23 C ATOM 586 CD1 TYR A 41 -1.494 4.807 0.526 1.00 24.14 C ATOM 587 CD2 TYR A 41 -0.442 6.874 1.068 1.00 5.01 C ATOM 588 CE1 TYR A 41 -1.478 4.446 1.849 1.00 42.13 C ATOM 589 CE2 TYR A 41 -0.423 6.519 2.396 1.00 31.12 C ATOM 590 CZ TYR A 41 -0.944 5.302 2.781 1.00 13.23 C ATOM 591 OH TYR A 41 -0.931 4.938 4.106 1.00 70.31 O ATOM 0 H TYR A 41 -3.105 5.306 -2.621 1.00 14.11 H new ATOM 0 HA TYR A 41 -2.690 7.693 -0.974 1.00 24.45 H new ATOM 0 HB2 TYR A 41 -0.769 5.586 -1.958 1.00 44.52 H new ATOM 0 HB3 TYR A 41 -0.213 7.184 -1.502 1.00 44.52 H new ATOM 0 HD1 TYR A 41 -1.917 4.133 -0.204 1.00 24.14 H new ATOM 0 HD2 TYR A 41 -0.035 7.828 0.767 1.00 5.01 H new ATOM 0 HE1 TYR A 41 -1.883 3.493 2.156 1.00 42.13 H new ATOM 0 HE2 TYR A 41 -0.003 7.188 3.132 1.00 31.12 H new ATOM 0 HH TYR A 41 -0.519 5.651 4.637 1.00 70.31 H new ATOM 601 N HIS A 42 -1.635 9.061 -2.776 1.00 13.40 N ATOM 602 CA HIS A 42 -1.376 10.013 -3.816 1.00 50.51 C ATOM 603 C HIS A 42 0.086 10.434 -3.700 1.00 74.44 C ATOM 604 O HIS A 42 0.521 10.862 -2.622 1.00 64.14 O ATOM 605 CB HIS A 42 -2.290 11.239 -3.602 1.00 31.34 C ATOM 606 CG HIS A 42 -2.311 12.271 -4.706 1.00 72.12 C ATOM 607 ND1 HIS A 42 -3.470 12.877 -5.125 1.00 21.43 N ATOM 608 CD2 HIS A 42 -1.323 12.836 -5.429 1.00 1.45 C ATOM 609 CE1 HIS A 42 -3.195 13.765 -6.052 1.00 21.11 C ATOM 610 NE2 HIS A 42 -1.901 13.764 -6.259 1.00 34.25 N ATOM 0 H HIS A 42 -1.356 9.384 -1.850 1.00 13.40 H new ATOM 0 HA HIS A 42 -1.570 9.588 -4.801 1.00 50.51 H new ATOM 0 HB2 HIS A 42 -3.309 10.882 -3.451 1.00 31.34 H new ATOM 0 HB3 HIS A 42 -1.985 11.734 -2.680 1.00 31.34 H new ATOM 0 HD2 HIS A 42 -0.271 12.602 -5.367 1.00 1.45 H new ATOM 0 HE1 HIS A 42 -3.914 14.391 -6.559 1.00 21.11 H new ATOM 0 HE2 HIS A 42 -1.405 14.355 -6.926 1.00 34.25 H new ATOM 619 N ARG A 43 0.835 10.284 -4.765 1.00 34.40 N ATOM 620 CA ARG A 43 2.226 10.713 -4.786 1.00 12.43 C ATOM 621 C ARG A 43 2.317 12.120 -5.297 1.00 52.54 C ATOM 622 O ARG A 43 1.534 12.524 -6.146 1.00 42.15 O ATOM 623 CB ARG A 43 3.110 9.802 -5.642 1.00 54.24 C ATOM 624 CG ARG A 43 2.638 9.595 -7.073 1.00 64.21 C ATOM 625 CD ARG A 43 3.775 9.073 -7.927 1.00 72.13 C ATOM 626 NE ARG A 43 4.807 10.100 -8.027 1.00 41.41 N ATOM 627 CZ ARG A 43 6.112 9.916 -7.969 1.00 41.32 C ATOM 628 NH1 ARG A 43 6.625 8.693 -7.923 1.00 24.34 N ATOM 629 NH2 ARG A 43 6.916 10.968 -7.975 1.00 64.44 N ATOM 0 H ARG A 43 0.509 9.867 -5.637 1.00 34.40 H new ATOM 0 HA ARG A 43 2.593 10.657 -3.761 1.00 12.43 H new ATOM 0 HB2 ARG A 43 4.117 10.219 -5.666 1.00 54.24 H new ATOM 0 HB3 ARG A 43 3.179 8.829 -5.155 1.00 54.24 H new ATOM 0 HG2 ARG A 43 1.806 8.891 -7.091 1.00 64.21 H new ATOM 0 HG3 ARG A 43 2.268 10.535 -7.482 1.00 64.21 H new ATOM 0 HD2 ARG A 43 4.189 8.165 -7.488 1.00 72.13 H new ATOM 0 HD3 ARG A 43 3.410 8.809 -8.919 1.00 72.13 H new ATOM 0 HE ARG A 43 4.486 11.060 -8.155 1.00 41.41 H new ATOM 0 HH11 ARG A 43 6.008 7.881 -7.932 1.00 24.34 H new ATOM 0 HH12 ARG A 43 7.636 8.565 -7.878 1.00 24.34 H new ATOM 0 HH21 ARG A 43 6.525 11.909 -8.024 1.00 64.44 H new ATOM 0 HH22 ARG A 43 7.927 10.838 -7.930 1.00 64.44 H new ATOM 643 N TYR A 44 3.226 12.868 -4.761 1.00 20.02 N ATOM 644 CA TYR A 44 3.413 14.237 -5.183 1.00 33.25 C ATOM 645 C TYR A 44 4.729 14.403 -5.955 1.00 72.21 C ATOM 646 O TYR A 44 5.495 13.449 -6.116 1.00 62.43 O ATOM 647 CB TYR A 44 3.367 15.143 -3.952 1.00 54.25 C ATOM 648 CG TYR A 44 2.053 15.010 -3.203 1.00 62.53 C ATOM 649 CD1 TYR A 44 1.888 14.058 -2.193 1.00 22.11 C ATOM 650 CD2 TYR A 44 0.972 15.815 -3.517 1.00 32.14 C ATOM 651 CE1 TYR A 44 0.691 13.929 -1.535 1.00 61.30 C ATOM 652 CE2 TYR A 44 -0.230 15.682 -2.856 1.00 74.32 C ATOM 653 CZ TYR A 44 -0.360 14.737 -1.867 1.00 21.53 C ATOM 654 OH TYR A 44 -1.557 14.597 -1.203 1.00 21.43 O ATOM 0 H TYR A 44 3.860 12.560 -4.024 1.00 20.02 H new ATOM 0 HA TYR A 44 2.612 14.521 -5.865 1.00 33.25 H new ATOM 0 HB2 TYR A 44 4.192 14.893 -3.285 1.00 54.25 H new ATOM 0 HB3 TYR A 44 3.508 16.180 -4.258 1.00 54.25 H new ATOM 0 HD1 TYR A 44 2.714 13.415 -1.927 1.00 22.11 H new ATOM 0 HD2 TYR A 44 1.072 16.560 -4.293 1.00 32.14 H new ATOM 0 HE1 TYR A 44 0.579 13.190 -0.756 1.00 61.30 H new ATOM 0 HE2 TYR A 44 -1.065 16.317 -3.114 1.00 74.32 H new ATOM 0 HH TYR A 44 -2.203 15.245 -1.554 1.00 21.43 H new ATOM 664 N LYS A 45 4.984 15.593 -6.456 1.00 24.21 N ATOM 665 CA LYS A 45 6.212 15.847 -7.139 1.00 60.11 C ATOM 666 C LYS A 45 7.239 16.366 -6.163 1.00 3.43 C ATOM 667 O LYS A 45 7.224 17.537 -5.781 1.00 2.31 O ATOM 668 CB LYS A 45 6.033 16.854 -8.265 1.00 3.34 C ATOM 669 CG LYS A 45 7.282 17.062 -9.110 1.00 74.41 C ATOM 670 CD LYS A 45 7.644 15.784 -9.829 1.00 3.40 C ATOM 671 CE LYS A 45 8.918 15.923 -10.660 1.00 11.50 C ATOM 672 NZ LYS A 45 8.826 16.989 -11.688 1.00 2.05 N ATOM 0 H LYS A 45 4.352 16.391 -6.398 1.00 24.21 H new ATOM 0 HA LYS A 45 6.549 14.907 -7.576 1.00 60.11 H new ATOM 0 HB2 LYS A 45 5.220 16.522 -8.911 1.00 3.34 H new ATOM 0 HB3 LYS A 45 5.731 17.811 -7.839 1.00 3.34 H new ATOM 0 HG2 LYS A 45 7.112 17.859 -9.834 1.00 74.41 H new ATOM 0 HG3 LYS A 45 8.110 17.378 -8.476 1.00 74.41 H new ATOM 0 HD2 LYS A 45 7.775 14.985 -9.100 1.00 3.40 H new ATOM 0 HD3 LYS A 45 6.820 15.490 -10.479 1.00 3.40 H new ATOM 0 HE2 LYS A 45 9.756 16.137 -9.997 1.00 11.50 H new ATOM 0 HE3 LYS A 45 9.132 14.972 -11.148 1.00 11.50 H new ATOM 0 HZ1 LYS A 45 9.677 16.969 -12.286 1.00 2.05 H new ATOM 0 HZ2 LYS A 45 7.985 16.830 -12.278 1.00 2.05 H new ATOM 0 HZ3 LYS A 45 8.752 17.916 -11.222 1.00 2.05 H new ATOM 686 N LEU A 46 8.093 15.506 -5.745 1.00 73.15 N ATOM 687 CA LEU A 46 9.149 15.872 -4.846 1.00 44.21 C ATOM 688 C LEU A 46 10.395 16.188 -5.603 1.00 71.23 C ATOM 689 O LEU A 46 10.948 15.349 -6.317 1.00 2.44 O ATOM 690 CB LEU A 46 9.406 14.816 -3.772 1.00 13.42 C ATOM 691 CG LEU A 46 8.409 14.738 -2.599 1.00 53.23 C ATOM 692 CD1 LEU A 46 8.403 16.026 -1.809 1.00 0.35 C ATOM 693 CD2 LEU A 46 7.006 14.369 -3.051 1.00 43.11 C ATOM 0 H LEU A 46 8.088 14.522 -6.012 1.00 73.15 H new ATOM 0 HA LEU A 46 8.823 16.769 -4.319 1.00 44.21 H new ATOM 0 HB2 LEU A 46 9.431 13.841 -4.258 1.00 13.42 H new ATOM 0 HB3 LEU A 46 10.399 14.991 -3.358 1.00 13.42 H new ATOM 0 HG LEU A 46 8.751 13.934 -1.947 1.00 53.23 H new ATOM 0 HD11 LEU A 46 7.692 15.945 -0.987 1.00 0.35 H new ATOM 0 HD12 LEU A 46 9.400 16.212 -1.409 1.00 0.35 H new ATOM 0 HD13 LEU A 46 8.113 16.851 -2.460 1.00 0.35 H new ATOM 0 HD21 LEU A 46 6.344 14.328 -2.186 1.00 43.11 H new ATOM 0 HD22 LEU A 46 6.641 15.119 -3.752 1.00 43.11 H new ATOM 0 HD23 LEU A 46 7.026 13.395 -3.540 1.00 43.11 H new ATOM 705 N LYS A 47 10.824 17.396 -5.458 1.00 22.31 N ATOM 706 CA LYS A 47 11.968 17.890 -6.161 1.00 51.42 C ATOM 707 C LYS A 47 13.179 17.713 -5.294 1.00 0.41 C ATOM 708 O LYS A 47 14.222 17.234 -5.736 1.00 24.42 O ATOM 709 CB LYS A 47 11.743 19.368 -6.473 1.00 14.40 C ATOM 710 CG LYS A 47 10.404 19.597 -7.133 1.00 41.21 C ATOM 711 CD LYS A 47 10.138 21.051 -7.465 1.00 2.14 C ATOM 712 CE LYS A 47 8.744 21.216 -8.075 1.00 2.22 C ATOM 713 NZ LYS A 47 8.418 22.625 -8.421 1.00 74.35 N ATOM 0 H LYS A 47 10.387 18.080 -4.841 1.00 22.31 H new ATOM 0 HA LYS A 47 12.118 17.346 -7.094 1.00 51.42 H new ATOM 0 HB2 LYS A 47 11.800 19.948 -5.552 1.00 14.40 H new ATOM 0 HB3 LYS A 47 12.538 19.728 -7.126 1.00 14.40 H new ATOM 0 HG2 LYS A 47 10.353 19.008 -8.049 1.00 41.21 H new ATOM 0 HG3 LYS A 47 9.616 19.232 -6.475 1.00 41.21 H new ATOM 0 HD2 LYS A 47 10.220 21.657 -6.563 1.00 2.14 H new ATOM 0 HD3 LYS A 47 10.892 21.414 -8.163 1.00 2.14 H new ATOM 0 HE2 LYS A 47 8.673 20.603 -8.973 1.00 2.22 H new ATOM 0 HE3 LYS A 47 8.000 20.840 -7.372 1.00 2.22 H new ATOM 0 HZ1 LYS A 47 7.462 22.670 -8.829 1.00 74.35 H new ATOM 0 HZ2 LYS A 47 8.456 23.211 -7.563 1.00 74.35 H new ATOM 0 HZ3 LYS A 47 9.107 22.981 -9.114 1.00 74.35 H new ATOM 727 N GLY A 48 13.009 18.051 -4.040 1.00 63.22 N ATOM 728 CA GLY A 48 14.079 17.987 -3.099 1.00 32.23 C ATOM 729 C GLY A 48 14.221 16.620 -2.447 1.00 60.22 C ATOM 730 O GLY A 48 15.310 16.243 -1.999 1.00 13.33 O ATOM 0 H GLY A 48 12.124 18.376 -3.652 1.00 63.22 H new ATOM 0 HA2 GLY A 48 15.012 18.242 -3.601 1.00 32.23 H new ATOM 0 HA3 GLY A 48 13.919 18.737 -2.325 1.00 32.23 H new ATOM 734 N LEU A 49 13.129 15.873 -2.381 1.00 30.43 N ATOM 735 CA LEU A 49 13.159 14.549 -1.791 1.00 3.23 C ATOM 736 C LEU A 49 13.423 13.480 -2.860 1.00 34.05 C ATOM 737 O LEU A 49 12.815 13.507 -3.937 1.00 42.35 O ATOM 738 CB LEU A 49 11.874 14.238 -0.977 1.00 1.21 C ATOM 739 CG LEU A 49 11.691 14.954 0.396 1.00 10.01 C ATOM 740 CD1 LEU A 49 11.692 16.474 0.278 1.00 53.02 C ATOM 741 CD2 LEU A 49 10.410 14.483 1.065 1.00 65.43 C ATOM 0 H LEU A 49 12.215 16.163 -2.729 1.00 30.43 H new ATOM 0 HA LEU A 49 13.987 14.529 -1.082 1.00 3.23 H new ATOM 0 HB2 LEU A 49 11.015 14.485 -1.601 1.00 1.21 H new ATOM 0 HB3 LEU A 49 11.841 13.163 -0.801 1.00 1.21 H new ATOM 0 HG LEU A 49 12.550 14.684 1.010 1.00 10.01 H new ATOM 0 HD11 LEU A 49 11.561 16.916 1.266 1.00 53.02 H new ATOM 0 HD12 LEU A 49 12.640 16.805 -0.145 1.00 53.02 H new ATOM 0 HD13 LEU A 49 10.875 16.789 -0.371 1.00 53.02 H new ATOM 0 HD21 LEU A 49 10.292 14.989 2.023 1.00 65.43 H new ATOM 0 HD22 LEU A 49 9.559 14.715 0.425 1.00 65.43 H new ATOM 0 HD23 LEU A 49 10.459 13.406 1.227 1.00 65.43 H new ATOM 753 N PRO A 50 14.360 12.552 -2.585 1.00 13.20 N ATOM 754 CA PRO A 50 14.745 11.478 -3.526 1.00 11.01 C ATOM 755 C PRO A 50 13.828 10.247 -3.435 1.00 20.43 C ATOM 756 O PRO A 50 13.749 9.444 -4.356 1.00 72.32 O ATOM 757 CB PRO A 50 16.161 11.119 -3.077 1.00 33.15 C ATOM 758 CG PRO A 50 16.228 11.483 -1.622 1.00 62.10 C ATOM 759 CD PRO A 50 15.133 12.490 -1.339 1.00 73.54 C ATOM 0 HA PRO A 50 14.672 11.802 -4.564 1.00 11.01 H new ATOM 0 HB2 PRO A 50 16.362 10.058 -3.225 1.00 33.15 H new ATOM 0 HB3 PRO A 50 16.906 11.668 -3.653 1.00 33.15 H new ATOM 0 HG2 PRO A 50 16.099 10.596 -1.001 1.00 62.10 H new ATOM 0 HG3 PRO A 50 17.204 11.903 -1.379 1.00 62.10 H new ATOM 0 HD2 PRO A 50 14.511 12.175 -0.501 1.00 73.54 H new ATOM 0 HD3 PRO A 50 15.547 13.464 -1.080 1.00 73.54 H new ATOM 767 N TYR A 51 13.158 10.126 -2.330 1.00 3.35 N ATOM 768 CA TYR A 51 12.208 9.079 -2.077 1.00 44.51 C ATOM 769 C TYR A 51 11.048 9.774 -1.349 1.00 42.24 C ATOM 770 O TYR A 51 11.254 10.932 -0.970 1.00 23.21 O ATOM 771 CB TYR A 51 12.884 7.875 -1.313 1.00 74.02 C ATOM 772 CG TYR A 51 13.473 8.144 0.074 1.00 50.35 C ATOM 773 CD1 TYR A 51 14.767 8.619 0.220 1.00 72.51 C ATOM 774 CD2 TYR A 51 12.745 7.882 1.231 1.00 64.04 C ATOM 775 CE1 TYR A 51 15.317 8.829 1.471 1.00 32.22 C ATOM 776 CE2 TYR A 51 13.284 8.096 2.482 1.00 13.35 C ATOM 777 CZ TYR A 51 14.567 8.567 2.598 1.00 24.05 C ATOM 778 OH TYR A 51 15.111 8.767 3.853 1.00 1.41 O ATOM 0 H TYR A 51 13.259 10.775 -1.550 1.00 3.35 H new ATOM 0 HA TYR A 51 11.823 8.598 -2.976 1.00 44.51 H new ATOM 0 HB2 TYR A 51 12.141 7.084 -1.213 1.00 74.02 H new ATOM 0 HB3 TYR A 51 13.682 7.485 -1.945 1.00 74.02 H new ATOM 0 HD1 TYR A 51 15.357 8.829 -0.660 1.00 72.51 H new ATOM 0 HD2 TYR A 51 11.737 7.503 1.147 1.00 64.04 H new ATOM 0 HE1 TYR A 51 16.328 9.196 1.565 1.00 32.22 H new ATOM 0 HE2 TYR A 51 12.698 7.894 3.367 1.00 13.35 H new ATOM 0 HH TYR A 51 15.020 7.948 4.383 1.00 1.41 H new ATOM 788 N PRO A 52 9.876 9.100 -1.003 1.00 33.25 N ATOM 789 CA PRO A 52 8.641 9.757 -0.655 1.00 22.21 C ATOM 790 C PRO A 52 8.276 11.161 -1.318 1.00 12.23 C ATOM 791 O PRO A 52 9.068 11.758 -2.039 1.00 63.42 O ATOM 792 CB PRO A 52 8.707 9.598 0.829 1.00 15.31 C ATOM 793 CG PRO A 52 9.111 8.106 0.888 1.00 45.53 C ATOM 794 CD PRO A 52 9.712 7.769 -0.531 1.00 71.41 C ATOM 0 HA PRO A 52 7.743 9.332 -1.104 1.00 22.21 H new ATOM 0 HB2 PRO A 52 9.445 10.254 1.291 1.00 15.31 H new ATOM 0 HB3 PRO A 52 7.753 9.797 1.318 1.00 15.31 H new ATOM 0 HG2 PRO A 52 9.844 7.930 1.675 1.00 45.53 H new ATOM 0 HG3 PRO A 52 8.249 7.476 1.108 1.00 45.53 H new ATOM 0 HD2 PRO A 52 10.652 7.220 -0.474 1.00 71.41 H new ATOM 0 HD3 PRO A 52 9.035 7.180 -1.150 1.00 71.41 H new ATOM 802 N CYS A 53 7.034 11.623 -1.144 1.00 44.12 N ATOM 803 CA CYS A 53 6.087 11.029 -0.253 1.00 52.40 C ATOM 804 C CYS A 53 4.750 10.806 -0.883 1.00 71.21 C ATOM 805 O CYS A 53 4.396 11.424 -1.897 1.00 12.24 O ATOM 806 CB CYS A 53 5.919 11.926 0.974 1.00 61.01 C ATOM 807 SG CYS A 53 5.412 13.622 0.586 1.00 3.10 S ATOM 0 H CYS A 53 6.671 12.438 -1.638 1.00 44.12 H new ATOM 0 HA CYS A 53 6.479 10.051 0.025 1.00 52.40 H new ATOM 0 HB2 CYS A 53 5.179 11.480 1.638 1.00 61.01 H new ATOM 0 HB3 CYS A 53 6.861 11.956 1.521 1.00 61.01 H new ATOM 0 HG CYS A 53 5.294 14.302 1.687 1.00 3.10 H new ATOM 813 N ILE A 54 4.013 9.939 -0.260 1.00 65.41 N ATOM 814 CA ILE A 54 2.676 9.660 -0.613 1.00 40.04 C ATOM 815 C ILE A 54 1.829 9.904 0.582 1.00 33.12 C ATOM 816 O ILE A 54 2.214 9.571 1.716 1.00 61.14 O ATOM 817 CB ILE A 54 2.446 8.211 -1.097 1.00 64.22 C ATOM 818 CG1 ILE A 54 2.998 7.175 -0.109 1.00 53.14 C ATOM 819 CG2 ILE A 54 2.976 8.005 -2.478 1.00 21.05 C ATOM 820 CD1 ILE A 54 2.733 5.737 -0.514 1.00 73.33 C ATOM 0 H ILE A 54 4.348 9.393 0.534 1.00 65.41 H new ATOM 0 HA ILE A 54 2.418 10.309 -1.450 1.00 40.04 H new ATOM 0 HB ILE A 54 1.368 8.055 -1.138 1.00 64.22 H new ATOM 0 HG12 ILE A 54 4.073 7.321 -0.007 1.00 53.14 H new ATOM 0 HG13 ILE A 54 2.558 7.353 0.872 1.00 53.14 H new ATOM 0 HG21 ILE A 54 2.797 6.975 -2.786 1.00 21.05 H new ATOM 0 HG22 ILE A 54 2.471 8.683 -3.166 1.00 21.05 H new ATOM 0 HG23 ILE A 54 4.047 8.207 -2.491 1.00 21.05 H new ATOM 0 HD11 ILE A 54 3.153 5.065 0.234 1.00 73.33 H new ATOM 0 HD12 ILE A 54 1.658 5.572 -0.587 1.00 73.33 H new ATOM 0 HD13 ILE A 54 3.197 5.540 -1.480 1.00 73.33 H new ATOM 832 N VAL A 55 0.727 10.513 0.359 1.00 33.40 N ATOM 833 CA VAL A 55 -0.196 10.807 1.406 1.00 53.21 C ATOM 834 C VAL A 55 -1.541 10.258 0.951 1.00 53.12 C ATOM 835 O VAL A 55 -1.766 10.149 -0.254 1.00 44.52 O ATOM 836 CB VAL A 55 -0.273 12.345 1.649 1.00 34.44 C ATOM 837 CG1 VAL A 55 -1.079 12.649 2.887 1.00 21.34 C ATOM 838 CG2 VAL A 55 1.135 12.965 1.749 1.00 11.55 C ATOM 0 H VAL A 55 0.429 10.829 -0.564 1.00 33.40 H new ATOM 0 HA VAL A 55 0.111 10.356 2.349 1.00 53.21 H new ATOM 0 HB VAL A 55 -0.776 12.794 0.792 1.00 34.44 H new ATOM 0 HG11 VAL A 55 -1.120 13.728 3.038 1.00 21.34 H new ATOM 0 HG12 VAL A 55 -2.090 12.260 2.767 1.00 21.34 H new ATOM 0 HG13 VAL A 55 -0.610 12.179 3.751 1.00 21.34 H new ATOM 0 HG21 VAL A 55 1.049 14.038 1.919 1.00 11.55 H new ATOM 0 HG22 VAL A 55 1.675 12.509 2.579 1.00 11.55 H new ATOM 0 HG23 VAL A 55 1.678 12.787 0.821 1.00 11.55 H new ATOM 848 N SER A 56 -2.399 9.880 1.875 1.00 22.00 N ATOM 849 CA SER A 56 -3.651 9.250 1.518 1.00 30.23 C ATOM 850 C SER A 56 -4.611 10.154 0.756 1.00 14.52 C ATOM 851 O SER A 56 -4.719 11.361 0.999 1.00 2.24 O ATOM 852 CB SER A 56 -4.333 8.622 2.725 1.00 43.42 C ATOM 853 OG SER A 56 -3.520 7.597 3.283 1.00 65.44 O ATOM 0 H SER A 56 -2.252 9.998 2.877 1.00 22.00 H new ATOM 0 HA SER A 56 -3.377 8.456 0.823 1.00 30.23 H new ATOM 0 HB2 SER A 56 -4.530 9.387 3.476 1.00 43.42 H new ATOM 0 HB3 SER A 56 -5.297 8.208 2.430 1.00 43.42 H new ATOM 0 HG SER A 56 -2.684 7.530 2.776 1.00 65.44 H new ATOM 859 N SER A 57 -5.253 9.546 -0.193 1.00 3.01 N ATOM 860 CA SER A 57 -6.273 10.114 -1.015 1.00 4.52 C ATOM 861 C SER A 57 -7.095 8.934 -1.503 1.00 65.13 C ATOM 862 O SER A 57 -6.651 8.187 -2.370 1.00 21.33 O ATOM 863 CB SER A 57 -5.658 10.875 -2.199 1.00 61.43 C ATOM 864 OG SER A 57 -4.778 11.901 -1.740 1.00 63.51 O ATOM 0 H SER A 57 -5.064 8.572 -0.429 1.00 3.01 H new ATOM 0 HA SER A 57 -6.881 10.834 -0.467 1.00 4.52 H new ATOM 0 HB2 SER A 57 -5.113 10.181 -2.839 1.00 61.43 H new ATOM 0 HB3 SER A 57 -6.450 11.314 -2.806 1.00 61.43 H new ATOM 0 HG SER A 57 -4.521 12.473 -2.493 1.00 63.51 H new ATOM 870 N ASP A 58 -8.255 8.740 -0.906 1.00 65.31 N ATOM 871 CA ASP A 58 -9.092 7.550 -1.148 1.00 41.35 C ATOM 872 C ASP A 58 -9.464 7.364 -2.614 1.00 3.32 C ATOM 873 O ASP A 58 -9.579 6.240 -3.092 1.00 62.21 O ATOM 874 CB ASP A 58 -10.345 7.574 -0.262 1.00 62.32 C ATOM 875 CG ASP A 58 -11.211 6.336 -0.415 1.00 32.20 C ATOM 876 OD1 ASP A 58 -10.835 5.264 0.116 1.00 22.03 O ATOM 877 OD2 ASP A 58 -12.286 6.422 -1.029 1.00 53.21 O ATOM 0 H ASP A 58 -8.656 9.396 -0.236 1.00 65.31 H new ATOM 0 HA ASP A 58 -8.484 6.687 -0.876 1.00 41.35 H new ATOM 0 HB2 ASP A 58 -10.043 7.671 0.781 1.00 62.32 H new ATOM 0 HB3 ASP A 58 -10.937 8.456 -0.506 1.00 62.32 H new ATOM 882 N SER A 59 -9.606 8.454 -3.329 1.00 31.24 N ATOM 883 CA SER A 59 -9.976 8.395 -4.728 1.00 34.23 C ATOM 884 C SER A 59 -8.734 8.251 -5.643 1.00 42.32 C ATOM 885 O SER A 59 -8.869 8.146 -6.863 1.00 72.30 O ATOM 886 CB SER A 59 -10.748 9.660 -5.099 1.00 30.53 C ATOM 887 OG SER A 59 -11.827 9.888 -4.191 1.00 51.40 O ATOM 0 H SER A 59 -9.471 9.398 -2.966 1.00 31.24 H new ATOM 0 HA SER A 59 -10.602 7.515 -4.878 1.00 34.23 H new ATOM 0 HB2 SER A 59 -10.074 10.517 -5.091 1.00 30.53 H new ATOM 0 HB3 SER A 59 -11.135 9.569 -6.114 1.00 30.53 H new ATOM 0 HG SER A 59 -12.304 10.704 -4.449 1.00 51.40 H new ATOM 893 N GLY A 60 -7.544 8.219 -5.055 1.00 42.21 N ATOM 894 CA GLY A 60 -6.332 8.163 -5.853 1.00 41.02 C ATOM 895 C GLY A 60 -5.522 6.908 -5.616 1.00 63.31 C ATOM 896 O GLY A 60 -5.796 6.148 -4.678 1.00 40.21 O ATOM 0 H GLY A 60 -7.396 8.231 -4.046 1.00 42.21 H new ATOM 0 HA2 GLY A 60 -6.596 8.223 -6.909 1.00 41.02 H new ATOM 0 HA3 GLY A 60 -5.716 9.034 -5.628 1.00 41.02 H new ATOM 900 N LYS A 61 -4.549 6.671 -6.467 1.00 0.33 N ATOM 901 CA LYS A 61 -3.673 5.528 -6.341 1.00 51.24 C ATOM 902 C LYS A 61 -2.284 5.861 -6.918 1.00 73.31 C ATOM 903 O LYS A 61 -2.152 6.751 -7.762 1.00 73.42 O ATOM 904 CB LYS A 61 -4.288 4.278 -7.024 1.00 44.31 C ATOM 905 CG LYS A 61 -4.520 4.418 -8.513 1.00 24.13 C ATOM 906 CD LYS A 61 -5.141 3.165 -9.138 1.00 25.51 C ATOM 907 CE LYS A 61 -6.498 2.831 -8.546 1.00 61.21 C ATOM 908 NZ LYS A 61 -7.119 1.675 -9.219 1.00 11.35 N ATOM 0 H LYS A 61 -4.342 7.267 -7.268 1.00 0.33 H new ATOM 0 HA LYS A 61 -3.555 5.292 -5.283 1.00 51.24 H new ATOM 0 HB2 LYS A 61 -3.630 3.426 -6.852 1.00 44.31 H new ATOM 0 HB3 LYS A 61 -5.239 4.049 -6.542 1.00 44.31 H new ATOM 0 HG2 LYS A 61 -5.173 5.271 -8.696 1.00 24.13 H new ATOM 0 HG3 LYS A 61 -3.571 4.632 -9.005 1.00 24.13 H new ATOM 0 HD2 LYS A 61 -5.244 3.312 -10.213 1.00 25.51 H new ATOM 0 HD3 LYS A 61 -4.468 2.320 -8.995 1.00 25.51 H new ATOM 0 HE2 LYS A 61 -6.388 2.617 -7.483 1.00 61.21 H new ATOM 0 HE3 LYS A 61 -7.155 3.697 -8.631 1.00 61.21 H new ATOM 0 HZ1 LYS A 61 -8.044 1.478 -8.787 1.00 11.35 H new ATOM 0 HZ2 LYS A 61 -7.247 1.889 -10.229 1.00 11.35 H new ATOM 0 HZ3 LYS A 61 -6.504 0.842 -9.117 1.00 11.35 H new ATOM 922 N VAL A 62 -1.270 5.177 -6.446 1.00 52.42 N ATOM 923 CA VAL A 62 0.103 5.401 -6.897 1.00 0.33 C ATOM 924 C VAL A 62 0.608 4.176 -7.633 1.00 52.14 C ATOM 925 O VAL A 62 0.624 3.100 -7.079 1.00 61.25 O ATOM 926 CB VAL A 62 1.037 5.639 -5.684 1.00 4.43 C ATOM 927 CG1 VAL A 62 2.472 5.909 -6.126 1.00 23.41 C ATOM 928 CG2 VAL A 62 0.519 6.763 -4.828 1.00 74.11 C ATOM 0 H VAL A 62 -1.362 4.448 -5.739 1.00 52.42 H new ATOM 0 HA VAL A 62 0.106 6.273 -7.551 1.00 0.33 H new ATOM 0 HB VAL A 62 1.045 4.727 -5.087 1.00 4.43 H new ATOM 0 HG11 VAL A 62 3.098 6.071 -5.249 1.00 23.41 H new ATOM 0 HG12 VAL A 62 2.847 5.053 -6.687 1.00 23.41 H new ATOM 0 HG13 VAL A 62 2.497 6.796 -6.759 1.00 23.41 H new ATOM 0 HG21 VAL A 62 1.189 6.914 -3.982 1.00 74.11 H new ATOM 0 HG22 VAL A 62 0.469 7.677 -5.419 1.00 74.11 H new ATOM 0 HG23 VAL A 62 -0.477 6.513 -4.462 1.00 74.11 H new ATOM 938 N ASN A 63 1.035 4.331 -8.848 1.00 74.35 N ATOM 939 CA ASN A 63 1.543 3.190 -9.584 1.00 55.25 C ATOM 940 C ASN A 63 3.053 3.152 -9.479 1.00 42.24 C ATOM 941 O ASN A 63 3.729 4.162 -9.728 1.00 12.44 O ATOM 942 CB ASN A 63 1.115 3.222 -11.058 1.00 72.44 C ATOM 943 CG ASN A 63 1.531 1.958 -11.812 1.00 2.22 C ATOM 944 OD1 ASN A 63 0.638 0.998 -11.893 1.00 41.35 O flip ATOM 945 ND2 ASN A 63 2.635 1.866 -12.349 1.00 13.21 N flip ATOM 0 H ASN A 63 1.047 5.217 -9.354 1.00 74.35 H new ATOM 0 HA ASN A 63 1.119 2.288 -9.143 1.00 55.25 H new ATOM 0 HB2 ASN A 63 0.033 3.338 -11.117 1.00 72.44 H new ATOM 0 HB3 ASN A 63 1.556 4.093 -11.543 1.00 72.44 H new ATOM 0 HD21 ASN A 63 3.307 2.629 -12.268 1.00 13.21 H new ATOM 0 HD22 ASN A 63 2.878 1.027 -12.875 1.00 13.21 H new ATOM 952 N GLY A 64 3.568 2.025 -9.097 1.00 54.33 N ATOM 953 CA GLY A 64 4.982 1.842 -8.960 1.00 20.44 C ATOM 954 C GLY A 64 5.320 0.384 -9.061 1.00 10.12 C ATOM 955 O GLY A 64 4.711 -0.341 -9.861 1.00 11.02 O ATOM 0 H GLY A 64 3.016 1.198 -8.869 1.00 54.33 H new ATOM 0 HA2 GLY A 64 5.507 2.400 -9.735 1.00 20.44 H new ATOM 0 HA3 GLY A 64 5.317 2.236 -8.001 1.00 20.44 H new ATOM 959 N LYS A 65 6.252 -0.072 -8.263 1.00 43.04 N ATOM 960 CA LYS A 65 6.632 -1.468 -8.275 1.00 52.54 C ATOM 961 C LYS A 65 6.888 -1.915 -6.861 1.00 53.24 C ATOM 962 O LYS A 65 7.281 -1.105 -6.006 1.00 31.04 O ATOM 963 CB LYS A 65 7.903 -1.722 -9.137 1.00 2.53 C ATOM 964 CG LYS A 65 7.806 -1.195 -10.579 1.00 31.41 C ATOM 965 CD LYS A 65 9.073 -1.449 -11.390 1.00 23.15 C ATOM 966 CE LYS A 65 9.232 -2.915 -11.759 1.00 63.24 C ATOM 967 NZ LYS A 65 10.471 -3.163 -12.531 1.00 63.31 N ATOM 0 H LYS A 65 6.765 0.502 -7.594 1.00 43.04 H new ATOM 0 HA LYS A 65 5.816 -2.037 -8.719 1.00 52.54 H new ATOM 0 HB2 LYS A 65 8.758 -1.255 -8.649 1.00 2.53 H new ATOM 0 HB3 LYS A 65 8.099 -2.794 -9.167 1.00 2.53 H new ATOM 0 HG2 LYS A 65 6.960 -1.669 -11.078 1.00 31.41 H new ATOM 0 HG3 LYS A 65 7.604 -0.124 -10.556 1.00 31.41 H new ATOM 0 HD2 LYS A 65 9.048 -0.848 -12.299 1.00 23.15 H new ATOM 0 HD3 LYS A 65 9.941 -1.124 -10.817 1.00 23.15 H new ATOM 0 HE2 LYS A 65 9.244 -3.518 -10.851 1.00 63.24 H new ATOM 0 HE3 LYS A 65 8.370 -3.237 -12.344 1.00 63.24 H new ATOM 0 HZ1 LYS A 65 10.320 -3.958 -13.185 1.00 63.31 H new ATOM 0 HZ2 LYS A 65 10.719 -2.311 -13.073 1.00 63.31 H new ATOM 0 HZ3 LYS A 65 11.246 -3.395 -11.878 1.00 63.31 H new ATOM 981 N VAL A 66 6.660 -3.170 -6.607 1.00 33.40 N ATOM 982 CA VAL A 66 6.927 -3.731 -5.311 1.00 61.02 C ATOM 983 C VAL A 66 8.195 -4.557 -5.353 1.00 30.12 C ATOM 984 O VAL A 66 8.421 -5.334 -6.290 1.00 23.22 O ATOM 985 CB VAL A 66 5.734 -4.558 -4.715 1.00 64.33 C ATOM 986 CG1 VAL A 66 4.539 -3.669 -4.451 1.00 5.42 C ATOM 987 CG2 VAL A 66 5.332 -5.701 -5.627 1.00 52.45 C ATOM 0 H VAL A 66 6.286 -3.832 -7.287 1.00 33.40 H new ATOM 0 HA VAL A 66 7.061 -2.889 -4.632 1.00 61.02 H new ATOM 0 HB VAL A 66 6.079 -4.980 -3.771 1.00 64.33 H new ATOM 0 HG11 VAL A 66 3.726 -4.266 -4.038 1.00 5.42 H new ATOM 0 HG12 VAL A 66 4.815 -2.890 -3.740 1.00 5.42 H new ATOM 0 HG13 VAL A 66 4.214 -3.209 -5.384 1.00 5.42 H new ATOM 0 HG21 VAL A 66 4.503 -6.249 -5.179 1.00 52.45 H new ATOM 0 HG22 VAL A 66 5.024 -5.304 -6.594 1.00 52.45 H new ATOM 0 HG23 VAL A 66 6.180 -6.373 -5.764 1.00 52.45 H new ATOM 997 N ILE A 67 9.021 -4.352 -4.370 1.00 64.33 N ATOM 998 CA ILE A 67 10.287 -5.024 -4.235 1.00 21.33 C ATOM 999 C ILE A 67 9.968 -6.298 -3.498 1.00 45.04 C ATOM 1000 O ILE A 67 9.498 -6.252 -2.356 1.00 34.10 O ATOM 1001 CB ILE A 67 11.237 -4.194 -3.324 1.00 33.34 C ATOM 1002 CG1 ILE A 67 11.142 -2.708 -3.626 1.00 22.45 C ATOM 1003 CG2 ILE A 67 12.684 -4.632 -3.544 1.00 65.31 C ATOM 1004 CD1 ILE A 67 11.817 -1.869 -2.570 1.00 22.20 C ATOM 0 H ILE A 67 8.830 -3.693 -3.615 1.00 64.33 H new ATOM 0 HA ILE A 67 10.762 -5.176 -5.204 1.00 21.33 H new ATOM 0 HB ILE A 67 10.932 -4.370 -2.292 1.00 33.34 H new ATOM 0 HG12 ILE A 67 11.598 -2.506 -4.595 1.00 22.45 H new ATOM 0 HG13 ILE A 67 10.093 -2.420 -3.701 1.00 22.45 H new ATOM 0 HG21 ILE A 67 13.343 -4.046 -2.903 1.00 65.31 H new ATOM 0 HG22 ILE A 67 12.785 -5.689 -3.299 1.00 65.31 H new ATOM 0 HG23 ILE A 67 12.958 -4.473 -4.587 1.00 65.31 H new ATOM 0 HD11 ILE A 67 11.723 -0.814 -2.829 1.00 22.20 H new ATOM 0 HD12 ILE A 67 11.344 -2.049 -1.605 1.00 22.20 H new ATOM 0 HD13 ILE A 67 12.872 -2.136 -2.513 1.00 22.20 H new ATOM 1016 N THR A 68 10.166 -7.412 -4.128 1.00 64.45 N ATOM 1017 CA THR A 68 9.753 -8.653 -3.533 1.00 70.32 C ATOM 1018 C THR A 68 10.935 -9.507 -3.090 1.00 14.04 C ATOM 1019 O THR A 68 12.069 -9.319 -3.564 1.00 1.10 O ATOM 1020 CB THR A 68 8.863 -9.442 -4.520 1.00 75.33 C ATOM 1021 OG1 THR A 68 9.565 -9.644 -5.769 1.00 64.25 O ATOM 1022 CG2 THR A 68 7.566 -8.694 -4.793 1.00 42.32 C ATOM 0 H THR A 68 10.606 -7.494 -5.045 1.00 64.45 H new ATOM 0 HA THR A 68 9.181 -8.410 -2.638 1.00 70.32 H new ATOM 0 HB THR A 68 8.630 -10.406 -4.068 1.00 75.33 H new ATOM 0 HG1 THR A 68 9.880 -8.781 -6.110 1.00 64.25 H new ATOM 0 HG21 THR A 68 6.955 -9.267 -5.490 1.00 42.32 H new ATOM 0 HG22 THR A 68 7.021 -8.559 -3.859 1.00 42.32 H new ATOM 0 HG23 THR A 68 7.792 -7.719 -5.226 1.00 42.32 H new ATOM 1030 N GLY A 69 10.664 -10.449 -2.193 1.00 1.23 N ATOM 1031 CA GLY A 69 11.686 -11.365 -1.724 1.00 34.13 C ATOM 1032 C GLY A 69 12.572 -10.756 -0.660 1.00 31.24 C ATOM 1033 O GLY A 69 13.804 -10.919 -0.690 1.00 43.53 O ATOM 0 H GLY A 69 9.743 -10.595 -1.779 1.00 1.23 H new ATOM 0 HA2 GLY A 69 11.210 -12.261 -1.325 1.00 34.13 H new ATOM 0 HA3 GLY A 69 12.301 -11.679 -2.567 1.00 34.13 H new ATOM 1037 N VAL A 70 11.971 -10.027 0.254 1.00 53.03 N ATOM 1038 CA VAL A 70 12.704 -9.434 1.342 1.00 2.22 C ATOM 1039 C VAL A 70 12.389 -10.200 2.625 1.00 74.21 C ATOM 1040 O VAL A 70 11.244 -10.293 3.004 1.00 71.40 O ATOM 1041 CB VAL A 70 12.282 -7.948 1.519 1.00 32.20 C ATOM 1042 CG1 VAL A 70 13.071 -7.289 2.619 1.00 63.01 C ATOM 1043 CG2 VAL A 70 12.429 -7.176 0.209 1.00 0.44 C ATOM 0 H VAL A 70 10.970 -9.832 0.262 1.00 53.03 H new ATOM 0 HA VAL A 70 13.772 -9.480 1.127 1.00 2.22 H new ATOM 0 HB VAL A 70 11.230 -7.933 1.803 1.00 32.20 H new ATOM 0 HG11 VAL A 70 12.756 -6.251 2.721 1.00 63.01 H new ATOM 0 HG12 VAL A 70 12.896 -7.815 3.557 1.00 63.01 H new ATOM 0 HG13 VAL A 70 14.133 -7.323 2.376 1.00 63.01 H new ATOM 0 HG21 VAL A 70 12.127 -6.140 0.361 1.00 0.44 H new ATOM 0 HG22 VAL A 70 13.469 -7.207 -0.117 1.00 0.44 H new ATOM 0 HG23 VAL A 70 11.796 -7.630 -0.554 1.00 0.44 H new ATOM 1053 N SER A 71 13.370 -10.746 3.295 1.00 22.35 N ATOM 1054 CA SER A 71 13.074 -11.450 4.526 1.00 5.32 C ATOM 1055 C SER A 71 12.881 -10.435 5.660 1.00 21.24 C ATOM 1056 O SER A 71 13.076 -9.225 5.461 1.00 64.35 O ATOM 1057 CB SER A 71 14.172 -12.475 4.865 1.00 1.14 C ATOM 1058 OG SER A 71 13.847 -13.208 6.038 1.00 42.33 O ATOM 0 H SER A 71 14.353 -10.722 3.025 1.00 22.35 H new ATOM 0 HA SER A 71 12.149 -12.013 4.398 1.00 5.32 H new ATOM 0 HB2 SER A 71 14.303 -13.162 4.029 1.00 1.14 H new ATOM 0 HB3 SER A 71 15.122 -11.960 5.006 1.00 1.14 H new ATOM 0 HG SER A 71 14.560 -13.852 6.229 1.00 42.33 H new ATOM 1064 N ASP A 72 12.487 -10.906 6.834 1.00 64.33 N ATOM 1065 CA ASP A 72 12.290 -10.025 7.988 1.00 30.25 C ATOM 1066 C ASP A 72 13.606 -9.425 8.411 1.00 75.24 C ATOM 1067 O ASP A 72 13.644 -8.334 8.972 1.00 2.30 O ATOM 1068 CB ASP A 72 11.586 -10.736 9.175 1.00 34.40 C ATOM 1069 CG ASP A 72 12.372 -11.881 9.770 1.00 30.43 C ATOM 1070 OD1 ASP A 72 12.529 -12.905 9.095 1.00 11.32 O ATOM 1071 OD2 ASP A 72 12.810 -11.786 10.942 1.00 4.12 O ATOM 0 H ASP A 72 12.296 -11.891 7.018 1.00 64.33 H new ATOM 0 HA ASP A 72 11.619 -9.225 7.676 1.00 30.25 H new ATOM 0 HB2 ASP A 72 11.388 -10.002 9.956 1.00 34.40 H new ATOM 0 HB3 ASP A 72 10.620 -11.111 8.837 1.00 34.40 H new ATOM 1076 N ALA A 73 14.682 -10.122 8.101 1.00 24.33 N ATOM 1077 CA ALA A 73 16.007 -9.641 8.393 1.00 71.34 C ATOM 1078 C ALA A 73 16.350 -8.443 7.497 1.00 43.32 C ATOM 1079 O ALA A 73 16.713 -7.374 7.988 1.00 42.54 O ATOM 1080 CB ALA A 73 17.020 -10.756 8.214 1.00 42.11 C ATOM 0 H ALA A 73 14.657 -11.033 7.642 1.00 24.33 H new ATOM 0 HA ALA A 73 16.041 -9.310 9.431 1.00 71.34 H new ATOM 0 HB1 ALA A 73 18.018 -10.380 8.438 1.00 42.11 H new ATOM 0 HB2 ALA A 73 16.781 -11.577 8.891 1.00 42.11 H new ATOM 0 HB3 ALA A 73 16.989 -11.114 7.185 1.00 42.11 H new ATOM 1086 N GLU A 74 16.205 -8.616 6.181 1.00 65.41 N ATOM 1087 CA GLU A 74 16.516 -7.543 5.233 1.00 42.23 C ATOM 1088 C GLU A 74 15.537 -6.375 5.336 1.00 43.55 C ATOM 1089 O GLU A 74 15.910 -5.229 5.084 1.00 51.54 O ATOM 1090 CB GLU A 74 16.559 -8.010 3.763 1.00 60.41 C ATOM 1091 CG GLU A 74 17.539 -9.126 3.409 1.00 73.53 C ATOM 1092 CD GLU A 74 17.029 -10.481 3.775 1.00 42.55 C ATOM 1093 OE1 GLU A 74 17.234 -10.912 4.915 1.00 50.35 O ATOM 1094 OE2 GLU A 74 16.392 -11.130 2.908 1.00 61.11 O ATOM 0 H GLU A 74 15.877 -9.481 5.750 1.00 65.41 H new ATOM 0 HA GLU A 74 17.515 -7.216 5.521 1.00 42.23 H new ATOM 0 HB2 GLU A 74 15.558 -8.340 3.485 1.00 60.41 H new ATOM 0 HB3 GLU A 74 16.794 -7.146 3.142 1.00 60.41 H new ATOM 0 HG2 GLU A 74 17.745 -9.097 2.339 1.00 73.53 H new ATOM 0 HG3 GLU A 74 18.485 -8.948 3.920 1.00 73.53 H new ATOM 1101 N LEU A 75 14.280 -6.666 5.710 1.00 74.42 N ATOM 1102 CA LEU A 75 13.224 -5.638 5.788 1.00 42.14 C ATOM 1103 C LEU A 75 13.637 -4.511 6.736 1.00 32.34 C ATOM 1104 O LEU A 75 13.309 -3.338 6.522 1.00 73.51 O ATOM 1105 CB LEU A 75 11.855 -6.293 6.186 1.00 35.00 C ATOM 1106 CG LEU A 75 10.550 -5.420 6.180 1.00 13.31 C ATOM 1107 CD1 LEU A 75 10.503 -4.415 7.320 1.00 13.14 C ATOM 1108 CD2 LEU A 75 10.395 -4.691 4.852 1.00 11.44 C ATOM 0 H LEU A 75 13.969 -7.604 5.963 1.00 74.42 H new ATOM 0 HA LEU A 75 13.089 -5.186 4.805 1.00 42.14 H new ATOM 0 HB2 LEU A 75 11.688 -7.135 5.514 1.00 35.00 H new ATOM 0 HB3 LEU A 75 11.969 -6.704 7.189 1.00 35.00 H new ATOM 0 HG LEU A 75 9.721 -6.113 6.321 1.00 13.31 H new ATOM 0 HD11 LEU A 75 9.578 -3.842 7.262 1.00 13.14 H new ATOM 0 HD12 LEU A 75 10.544 -4.943 8.273 1.00 13.14 H new ATOM 0 HD13 LEU A 75 11.354 -3.738 7.244 1.00 13.14 H new ATOM 0 HD21 LEU A 75 9.484 -4.092 4.870 1.00 11.44 H new ATOM 0 HD22 LEU A 75 11.254 -4.040 4.692 1.00 11.44 H new ATOM 0 HD23 LEU A 75 10.335 -5.418 4.042 1.00 11.44 H new ATOM 1120 N ASN A 76 14.405 -4.874 7.744 1.00 72.14 N ATOM 1121 CA ASN A 76 14.900 -3.931 8.736 1.00 61.20 C ATOM 1122 C ASN A 76 15.755 -2.836 8.109 1.00 11.24 C ATOM 1123 O ASN A 76 15.796 -1.728 8.612 1.00 1.03 O ATOM 1124 CB ASN A 76 15.687 -4.645 9.835 1.00 54.52 C ATOM 1125 CG ASN A 76 14.856 -5.609 10.668 1.00 33.53 C ATOM 1126 OD1 ASN A 76 13.596 -5.290 10.892 1.00 10.33 O flip ATOM 1127 ND2 ASN A 76 15.361 -6.632 11.131 1.00 64.35 N flip ATOM 0 H ASN A 76 14.707 -5.836 7.902 1.00 72.14 H new ATOM 0 HA ASN A 76 14.024 -3.459 9.181 1.00 61.20 H new ATOM 0 HB2 ASN A 76 16.511 -5.193 9.379 1.00 54.52 H new ATOM 0 HB3 ASN A 76 16.128 -3.898 10.495 1.00 54.52 H new ATOM 0 HD21 ASN A 76 16.339 -6.850 10.939 1.00 64.35 H new ATOM 0 HD22 ASN A 76 14.802 -7.261 11.707 1.00 64.35 H new ATOM 1134 N ASN A 77 16.413 -3.134 6.987 1.00 25.30 N ATOM 1135 CA ASN A 77 17.289 -2.150 6.350 1.00 41.52 C ATOM 1136 C ASN A 77 16.427 -1.074 5.715 1.00 33.55 C ATOM 1137 O ASN A 77 16.733 0.112 5.790 1.00 51.22 O ATOM 1138 CB ASN A 77 18.168 -2.820 5.291 1.00 51.43 C ATOM 1139 CG ASN A 77 19.371 -1.981 4.853 1.00 13.11 C ATOM 1140 OD1 ASN A 77 19.336 -0.751 4.813 1.00 41.51 O ATOM 1141 ND2 ASN A 77 20.458 -2.648 4.562 1.00 34.01 N ATOM 0 H ASN A 77 16.358 -4.033 6.508 1.00 25.30 H new ATOM 0 HA ASN A 77 17.945 -1.705 7.098 1.00 41.52 H new ATOM 0 HB2 ASN A 77 18.526 -3.772 5.682 1.00 51.43 H new ATOM 0 HB3 ASN A 77 17.557 -3.044 4.416 1.00 51.43 H new ATOM 0 HD21 ASN A 77 21.306 -2.149 4.293 1.00 34.01 H new ATOM 0 HD22 ASN A 77 20.458 -3.667 4.604 1.00 34.01 H new ATOM 1148 N PHE A 78 15.300 -1.500 5.146 1.00 35.21 N ATOM 1149 CA PHE A 78 14.354 -0.577 4.524 1.00 74.12 C ATOM 1150 C PHE A 78 13.718 0.280 5.590 1.00 23.31 C ATOM 1151 O PHE A 78 13.408 1.445 5.368 1.00 15.24 O ATOM 1152 CB PHE A 78 13.256 -1.320 3.746 1.00 54.12 C ATOM 1153 CG PHE A 78 13.757 -2.147 2.617 1.00 45.33 C ATOM 1154 CD1 PHE A 78 13.972 -1.595 1.369 1.00 61.44 C ATOM 1155 CD2 PHE A 78 14.018 -3.469 2.805 1.00 14.23 C ATOM 1156 CE1 PHE A 78 14.452 -2.377 0.334 1.00 11.31 C ATOM 1157 CE2 PHE A 78 14.485 -4.244 1.789 1.00 70.22 C ATOM 1158 CZ PHE A 78 14.709 -3.700 0.550 1.00 33.21 C ATOM 0 H PHE A 78 15.020 -2.480 5.103 1.00 35.21 H new ATOM 0 HA PHE A 78 14.906 0.041 3.816 1.00 74.12 H new ATOM 0 HB2 PHE A 78 12.709 -1.962 4.437 1.00 54.12 H new ATOM 0 HB3 PHE A 78 12.545 -0.590 3.359 1.00 54.12 H new ATOM 0 HD1 PHE A 78 13.764 -0.549 1.201 1.00 61.44 H new ATOM 0 HD2 PHE A 78 13.852 -3.910 3.777 1.00 14.23 H new ATOM 0 HE1 PHE A 78 14.623 -1.943 -0.640 1.00 11.31 H new ATOM 0 HE2 PHE A 78 14.680 -5.293 1.959 1.00 70.22 H new ATOM 0 HZ PHE A 78 15.087 -4.316 -0.252 1.00 33.21 H new ATOM 1168 N ASP A 79 13.553 -0.304 6.749 1.00 43.30 N ATOM 1169 CA ASP A 79 12.976 0.377 7.891 1.00 21.11 C ATOM 1170 C ASP A 79 13.921 1.481 8.395 1.00 51.41 C ATOM 1171 O ASP A 79 13.491 2.493 8.893 1.00 12.32 O ATOM 1172 CB ASP A 79 12.643 -0.631 8.993 1.00 53.11 C ATOM 1173 CG ASP A 79 11.943 -0.014 10.179 1.00 5.04 C ATOM 1174 OD1 ASP A 79 10.723 0.253 10.089 1.00 54.23 O ATOM 1175 OD2 ASP A 79 12.576 0.157 11.230 1.00 63.20 O ATOM 0 H ASP A 79 13.816 -1.272 6.933 1.00 43.30 H new ATOM 0 HA ASP A 79 12.046 0.858 7.587 1.00 21.11 H new ATOM 0 HB2 ASP A 79 12.013 -1.417 8.577 1.00 53.11 H new ATOM 0 HB3 ASP A 79 13.564 -1.106 9.331 1.00 53.11 H new ATOM 1180 N VAL A 80 15.216 1.273 8.231 1.00 35.42 N ATOM 1181 CA VAL A 80 16.224 2.277 8.623 1.00 50.50 C ATOM 1182 C VAL A 80 16.220 3.478 7.639 1.00 43.20 C ATOM 1183 O VAL A 80 16.653 4.591 7.979 1.00 42.31 O ATOM 1184 CB VAL A 80 17.655 1.650 8.709 1.00 42.40 C ATOM 1185 CG1 VAL A 80 18.702 2.676 9.130 1.00 61.40 C ATOM 1186 CG2 VAL A 80 17.658 0.486 9.674 1.00 73.41 C ATOM 0 H VAL A 80 15.607 0.421 7.830 1.00 35.42 H new ATOM 0 HA VAL A 80 15.955 2.638 9.615 1.00 50.50 H new ATOM 0 HB VAL A 80 17.917 1.298 7.711 1.00 42.40 H new ATOM 0 HG11 VAL A 80 19.681 2.199 9.177 1.00 61.40 H new ATOM 0 HG12 VAL A 80 18.729 3.488 8.403 1.00 61.40 H new ATOM 0 HG13 VAL A 80 18.446 3.076 10.111 1.00 61.40 H new ATOM 0 HG21 VAL A 80 18.659 0.058 9.725 1.00 73.41 H new ATOM 0 HG22 VAL A 80 17.361 0.833 10.664 1.00 73.41 H new ATOM 0 HG23 VAL A 80 16.956 -0.274 9.330 1.00 73.41 H new ATOM 1196 N ILE A 81 15.720 3.245 6.431 1.00 32.42 N ATOM 1197 CA ILE A 81 15.673 4.286 5.397 1.00 62.34 C ATOM 1198 C ILE A 81 14.626 5.377 5.759 1.00 63.14 C ATOM 1199 O ILE A 81 14.724 6.532 5.325 1.00 13.31 O ATOM 1200 CB ILE A 81 15.385 3.676 3.983 1.00 24.23 C ATOM 1201 CG1 ILE A 81 16.449 2.623 3.618 1.00 3.02 C ATOM 1202 CG2 ILE A 81 15.313 4.754 2.896 1.00 35.14 C ATOM 1203 CD1 ILE A 81 17.872 3.148 3.578 1.00 75.13 C ATOM 0 H ILE A 81 15.340 2.345 6.138 1.00 32.42 H new ATOM 0 HA ILE A 81 16.655 4.758 5.356 1.00 62.34 H new ATOM 0 HB ILE A 81 14.409 3.193 4.034 1.00 24.23 H new ATOM 0 HG12 ILE A 81 16.397 1.808 4.340 1.00 3.02 H new ATOM 0 HG13 ILE A 81 16.204 2.201 2.643 1.00 3.02 H new ATOM 0 HG21 ILE A 81 15.112 4.286 1.932 1.00 35.14 H new ATOM 0 HG22 ILE A 81 14.514 5.456 3.132 1.00 35.14 H new ATOM 0 HG23 ILE A 81 16.262 5.287 2.849 1.00 35.14 H new ATOM 0 HD11 ILE A 81 18.551 2.338 3.313 1.00 75.13 H new ATOM 0 HD12 ILE A 81 17.946 3.942 2.835 1.00 75.13 H new ATOM 0 HD13 ILE A 81 18.142 3.542 4.558 1.00 75.13 H new ATOM 1215 N GLU A 82 13.651 5.012 6.560 1.00 50.11 N ATOM 1216 CA GLU A 82 12.655 5.961 7.023 1.00 74.41 C ATOM 1217 C GLU A 82 13.085 6.499 8.382 1.00 44.21 C ATOM 1218 O GLU A 82 14.211 6.261 8.797 1.00 21.14 O ATOM 1219 CB GLU A 82 11.243 5.309 7.024 1.00 44.33 C ATOM 1220 CG GLU A 82 11.036 4.071 7.909 1.00 25.52 C ATOM 1221 CD GLU A 82 10.778 4.363 9.379 1.00 0.43 C ATOM 1222 OE1 GLU A 82 11.718 4.470 10.172 1.00 42.42 O ATOM 1223 OE2 GLU A 82 9.598 4.464 9.754 1.00 34.32 O ATOM 0 H GLU A 82 13.523 4.062 6.908 1.00 50.11 H new ATOM 0 HA GLU A 82 12.583 6.812 6.345 1.00 74.41 H new ATOM 0 HB2 GLU A 82 10.522 6.067 7.331 1.00 44.33 H new ATOM 0 HB3 GLU A 82 10.998 5.034 5.998 1.00 44.33 H new ATOM 0 HG2 GLU A 82 10.196 3.499 7.516 1.00 25.52 H new ATOM 0 HG3 GLU A 82 11.918 3.436 7.830 1.00 25.52 H new ATOM 1230 N GLY A 83 12.247 7.246 9.054 1.00 71.10 N ATOM 1231 CA GLY A 83 12.632 7.696 10.360 1.00 42.45 C ATOM 1232 C GLY A 83 12.517 9.173 10.570 1.00 70.22 C ATOM 1233 O GLY A 83 11.709 9.603 11.374 1.00 12.15 O ATOM 0 H GLY A 83 11.327 7.545 8.731 1.00 71.10 H new ATOM 0 HA2 GLY A 83 12.015 7.188 11.101 1.00 42.45 H new ATOM 0 HA3 GLY A 83 13.664 7.396 10.544 1.00 42.45 H new ATOM 1237 N ASN A 84 13.307 9.968 9.831 1.00 45.31 N ATOM 1238 CA ASN A 84 13.360 11.430 10.087 1.00 52.21 C ATOM 1239 C ASN A 84 11.990 12.076 9.980 1.00 11.21 C ATOM 1240 O ASN A 84 11.581 12.816 10.874 1.00 60.24 O ATOM 1241 CB ASN A 84 14.321 12.136 9.110 1.00 55.04 C ATOM 1242 CG ASN A 84 15.754 11.660 9.206 1.00 22.20 C ATOM 1243 OD1 ASN A 84 16.213 11.230 10.265 1.00 54.45 O ATOM 1244 ND2 ASN A 84 16.480 11.748 8.112 1.00 64.35 N ATOM 0 H ASN A 84 13.905 9.643 9.071 1.00 45.31 H new ATOM 0 HA ASN A 84 13.726 11.547 11.107 1.00 52.21 H new ATOM 0 HB2 ASN A 84 13.965 11.982 8.091 1.00 55.04 H new ATOM 0 HB3 ASN A 84 14.292 13.209 9.299 1.00 55.04 H new ATOM 0 HD21 ASN A 84 17.457 11.455 8.123 1.00 64.35 H new ATOM 0 HD22 ASN A 84 16.066 12.109 7.253 1.00 64.35 H new ATOM 1251 N ASP A 85 11.259 11.740 8.930 1.00 70.21 N ATOM 1252 CA ASP A 85 9.885 12.229 8.738 1.00 10.01 C ATOM 1253 C ASP A 85 9.132 11.260 7.876 1.00 5.21 C ATOM 1254 O ASP A 85 8.033 11.540 7.405 1.00 55.44 O ATOM 1255 CB ASP A 85 9.836 13.612 8.065 1.00 1.23 C ATOM 1256 CG ASP A 85 10.421 14.742 8.869 1.00 70.43 C ATOM 1257 OD1 ASP A 85 9.723 15.286 9.749 1.00 60.53 O ATOM 1258 OD2 ASP A 85 11.575 15.133 8.603 1.00 11.22 O ATOM 0 H ASP A 85 11.589 11.125 8.186 1.00 70.21 H new ATOM 0 HA ASP A 85 9.436 12.319 9.727 1.00 10.01 H new ATOM 0 HB2 ASP A 85 10.365 13.553 7.114 1.00 1.23 H new ATOM 0 HB3 ASP A 85 8.797 13.850 7.838 1.00 1.23 H new ATOM 1263 N TYR A 86 9.702 10.115 7.685 1.00 63.42 N ATOM 1264 CA TYR A 86 9.109 9.117 6.844 1.00 31.11 C ATOM 1265 C TYR A 86 8.786 7.946 7.728 1.00 24.13 C ATOM 1266 O TYR A 86 9.504 7.710 8.703 1.00 34.41 O ATOM 1267 CB TYR A 86 10.110 8.650 5.786 1.00 63.22 C ATOM 1268 CG TYR A 86 10.795 9.731 4.991 1.00 4.24 C ATOM 1269 CD1 TYR A 86 10.226 10.256 3.853 1.00 75.11 C ATOM 1270 CD2 TYR A 86 12.045 10.205 5.382 1.00 41.13 C ATOM 1271 CE1 TYR A 86 10.882 11.227 3.117 1.00 12.33 C ATOM 1272 CE2 TYR A 86 12.699 11.175 4.660 1.00 23.04 C ATOM 1273 CZ TYR A 86 12.114 11.681 3.527 1.00 62.32 C ATOM 1274 OH TYR A 86 12.766 12.645 2.796 1.00 12.23 O ATOM 0 H TYR A 86 10.590 9.842 8.105 1.00 63.42 H new ATOM 0 HA TYR A 86 8.227 9.519 6.344 1.00 31.11 H new ATOM 0 HB2 TYR A 86 10.876 8.052 6.280 1.00 63.22 H new ATOM 0 HB3 TYR A 86 9.590 7.991 5.090 1.00 63.22 H new ATOM 0 HD1 TYR A 86 9.256 9.906 3.531 1.00 75.11 H new ATOM 0 HD2 TYR A 86 12.510 9.803 6.270 1.00 41.13 H new ATOM 0 HE1 TYR A 86 10.428 11.627 2.223 1.00 12.33 H new ATOM 0 HE2 TYR A 86 13.665 11.536 4.982 1.00 23.04 H new ATOM 0 HH TYR A 86 13.623 12.855 3.222 1.00 12.23 H new ATOM 1284 N GLU A 87 7.744 7.235 7.430 1.00 51.30 N ATOM 1285 CA GLU A 87 7.408 6.067 8.210 1.00 73.13 C ATOM 1286 C GLU A 87 7.074 4.867 7.318 1.00 64.51 C ATOM 1287 O GLU A 87 6.431 5.010 6.274 1.00 50.12 O ATOM 1288 CB GLU A 87 6.288 6.365 9.227 1.00 15.52 C ATOM 1289 CG GLU A 87 4.980 6.834 8.629 1.00 72.13 C ATOM 1290 CD GLU A 87 3.886 6.990 9.661 1.00 43.03 C ATOM 1291 OE1 GLU A 87 3.258 5.969 10.020 1.00 34.12 O ATOM 1292 OE2 GLU A 87 3.606 8.104 10.099 1.00 32.14 O ATOM 0 H GLU A 87 7.109 7.435 6.657 1.00 51.30 H new ATOM 0 HA GLU A 87 8.293 5.795 8.785 1.00 73.13 H new ATOM 0 HB2 GLU A 87 6.100 5.463 9.810 1.00 15.52 H new ATOM 0 HB3 GLU A 87 6.644 7.125 9.922 1.00 15.52 H new ATOM 0 HG2 GLU A 87 5.137 7.788 8.126 1.00 72.13 H new ATOM 0 HG3 GLU A 87 4.657 6.122 7.869 1.00 72.13 H new ATOM 1299 N ARG A 88 7.557 3.705 7.715 1.00 3.22 N ATOM 1300 CA ARG A 88 7.322 2.456 6.992 1.00 52.22 C ATOM 1301 C ARG A 88 6.034 1.810 7.496 1.00 3.25 C ATOM 1302 O ARG A 88 5.934 1.410 8.658 1.00 75.13 O ATOM 1303 CB ARG A 88 8.594 1.538 7.092 1.00 42.54 C ATOM 1304 CG ARG A 88 8.541 0.138 6.443 1.00 74.14 C ATOM 1305 CD ARG A 88 7.897 -0.910 7.346 1.00 31.54 C ATOM 1306 NE ARG A 88 8.623 -1.038 8.626 1.00 43.01 N ATOM 1307 CZ ARG A 88 8.542 -2.069 9.486 1.00 50.13 C ATOM 1308 NH1 ARG A 88 7.838 -3.168 9.189 1.00 60.10 N ATOM 1309 NH2 ARG A 88 9.209 -2.006 10.628 1.00 5.04 N ATOM 0 H ARG A 88 8.128 3.594 8.553 1.00 3.22 H new ATOM 0 HA ARG A 88 7.171 2.639 5.928 1.00 52.22 H new ATOM 0 HB2 ARG A 88 9.430 2.079 6.648 1.00 42.54 H new ATOM 0 HB3 ARG A 88 8.826 1.406 8.149 1.00 42.54 H new ATOM 0 HG2 ARG A 88 7.984 0.197 5.508 1.00 74.14 H new ATOM 0 HG3 ARG A 88 9.553 -0.179 6.191 1.00 74.14 H new ATOM 0 HD2 ARG A 88 6.860 -0.637 7.540 1.00 31.54 H new ATOM 0 HD3 ARG A 88 7.883 -1.873 6.836 1.00 31.54 H new ATOM 0 HE ARG A 88 9.245 -0.271 8.882 1.00 43.01 H new ATOM 0 HH11 ARG A 88 7.350 -3.235 8.296 1.00 60.10 H new ATOM 0 HH12 ARG A 88 7.790 -3.938 9.856 1.00 60.10 H new ATOM 0 HH21 ARG A 88 9.773 -1.184 10.844 1.00 5.04 H new ATOM 0 HH22 ARG A 88 9.158 -2.779 11.291 1.00 5.04 H new ATOM 1323 N VAL A 89 5.052 1.746 6.621 1.00 4.43 N ATOM 1324 CA VAL A 89 3.719 1.258 6.960 1.00 2.21 C ATOM 1325 C VAL A 89 3.243 0.218 5.976 1.00 60.44 C ATOM 1326 O VAL A 89 3.761 0.121 4.864 1.00 31.43 O ATOM 1327 CB VAL A 89 2.664 2.393 6.985 1.00 63.22 C ATOM 1328 CG1 VAL A 89 2.946 3.395 8.085 1.00 64.44 C ATOM 1329 CG2 VAL A 89 2.603 3.096 5.641 1.00 43.41 C ATOM 0 H VAL A 89 5.151 2.031 5.647 1.00 4.43 H new ATOM 0 HA VAL A 89 3.814 0.825 7.956 1.00 2.21 H new ATOM 0 HB VAL A 89 1.697 1.934 7.190 1.00 63.22 H new ATOM 0 HG11 VAL A 89 2.185 4.175 8.070 1.00 64.44 H new ATOM 0 HG12 VAL A 89 2.929 2.890 9.051 1.00 64.44 H new ATOM 0 HG13 VAL A 89 3.927 3.842 7.927 1.00 64.44 H new ATOM 0 HG21 VAL A 89 1.857 3.889 5.679 1.00 43.41 H new ATOM 0 HG22 VAL A 89 3.578 3.526 5.411 1.00 43.41 H new ATOM 0 HG23 VAL A 89 2.331 2.378 4.867 1.00 43.41 H new ATOM 1339 N THR A 90 2.278 -0.554 6.390 1.00 24.43 N ATOM 1340 CA THR A 90 1.670 -1.523 5.536 1.00 31.32 C ATOM 1341 C THR A 90 0.482 -0.881 4.809 1.00 31.14 C ATOM 1342 O THR A 90 -0.367 -0.230 5.424 1.00 60.23 O ATOM 1343 CB THR A 90 1.213 -2.752 6.343 1.00 2.14 C ATOM 1344 OG1 THR A 90 2.337 -3.274 7.068 1.00 4.34 O ATOM 1345 CG2 THR A 90 0.666 -3.839 5.427 1.00 43.13 C ATOM 0 H THR A 90 1.893 -0.525 7.334 1.00 24.43 H new ATOM 0 HA THR A 90 2.401 -1.862 4.802 1.00 31.32 H new ATOM 0 HB THR A 90 0.421 -2.445 7.026 1.00 2.14 H new ATOM 0 HG1 THR A 90 2.057 -4.056 7.587 1.00 4.34 H new ATOM 0 HG21 THR A 90 0.351 -4.694 6.025 1.00 43.13 H new ATOM 0 HG22 THR A 90 -0.188 -3.451 4.871 1.00 43.13 H new ATOM 0 HG23 THR A 90 1.442 -4.151 4.728 1.00 43.13 H new ATOM 1353 N VAL A 91 0.458 -1.052 3.515 1.00 11.34 N ATOM 1354 CA VAL A 91 -0.538 -0.492 2.629 1.00 42.41 C ATOM 1355 C VAL A 91 -1.007 -1.591 1.695 1.00 75.30 C ATOM 1356 O VAL A 91 -0.426 -2.674 1.688 1.00 51.15 O ATOM 1357 CB VAL A 91 0.065 0.665 1.810 1.00 53.24 C ATOM 1358 CG1 VAL A 91 0.512 1.781 2.743 1.00 54.11 C ATOM 1359 CG2 VAL A 91 1.235 0.156 0.970 1.00 14.11 C ATOM 0 H VAL A 91 1.159 -1.608 3.025 1.00 11.34 H new ATOM 0 HA VAL A 91 -1.374 -0.101 3.209 1.00 42.41 H new ATOM 0 HB VAL A 91 -0.693 1.063 1.135 1.00 53.24 H new ATOM 0 HG11 VAL A 91 0.937 2.596 2.158 1.00 54.11 H new ATOM 0 HG12 VAL A 91 -0.345 2.148 3.307 1.00 54.11 H new ATOM 0 HG13 VAL A 91 1.264 1.399 3.433 1.00 54.11 H new ATOM 0 HG21 VAL A 91 1.655 0.981 0.394 1.00 14.11 H new ATOM 0 HG22 VAL A 91 2.002 -0.256 1.626 1.00 14.11 H new ATOM 0 HG23 VAL A 91 0.884 -0.620 0.290 1.00 14.11 H new ATOM 1369 N GLU A 92 -2.008 -1.354 0.915 1.00 11.32 N ATOM 1370 CA GLU A 92 -2.510 -2.411 0.097 1.00 33.11 C ATOM 1371 C GLU A 92 -2.431 -2.017 -1.370 1.00 41.23 C ATOM 1372 O GLU A 92 -2.942 -0.966 -1.772 1.00 24.40 O ATOM 1373 CB GLU A 92 -3.926 -2.705 0.489 1.00 60.31 C ATOM 1374 CG GLU A 92 -4.390 -4.060 0.070 1.00 45.33 C ATOM 1375 CD GLU A 92 -5.860 -4.216 0.278 1.00 51.33 C ATOM 1376 OE1 GLU A 92 -6.645 -3.659 -0.530 1.00 54.05 O ATOM 1377 OE2 GLU A 92 -6.267 -4.890 1.233 1.00 22.13 O ATOM 0 H GLU A 92 -2.488 -0.458 0.825 1.00 11.32 H new ATOM 0 HA GLU A 92 -1.906 -3.307 0.242 1.00 33.11 H new ATOM 0 HB2 GLU A 92 -4.021 -2.615 1.571 1.00 60.31 H new ATOM 0 HB3 GLU A 92 -4.580 -1.953 0.048 1.00 60.31 H new ATOM 0 HG2 GLU A 92 -4.150 -4.221 -0.981 1.00 45.33 H new ATOM 0 HG3 GLU A 92 -3.857 -4.822 0.639 1.00 45.33 H new ATOM 1384 N VAL A 93 -1.834 -2.860 -2.172 1.00 15.21 N ATOM 1385 CA VAL A 93 -1.618 -2.538 -3.558 1.00 13.14 C ATOM 1386 C VAL A 93 -2.162 -3.629 -4.445 1.00 52.34 C ATOM 1387 O VAL A 93 -2.504 -4.714 -3.988 1.00 15.13 O ATOM 1388 CB VAL A 93 -0.096 -2.365 -3.897 1.00 61.24 C ATOM 1389 CG1 VAL A 93 0.562 -1.334 -3.018 1.00 14.04 C ATOM 1390 CG2 VAL A 93 0.660 -3.683 -3.832 1.00 51.35 C ATOM 0 H VAL A 93 -1.488 -3.777 -1.888 1.00 15.21 H new ATOM 0 HA VAL A 93 -2.135 -1.595 -3.737 1.00 13.14 H new ATOM 0 HB VAL A 93 -0.052 -2.008 -4.926 1.00 61.24 H new ATOM 0 HG11 VAL A 93 1.615 -1.246 -3.286 1.00 14.04 H new ATOM 0 HG12 VAL A 93 0.070 -0.371 -3.156 1.00 14.04 H new ATOM 0 HG13 VAL A 93 0.478 -1.638 -1.975 1.00 14.04 H new ATOM 0 HG21 VAL A 93 1.709 -3.513 -4.074 1.00 51.35 H new ATOM 0 HG22 VAL A 93 0.582 -4.098 -2.827 1.00 51.35 H new ATOM 0 HG23 VAL A 93 0.231 -4.384 -4.548 1.00 51.35 H new ATOM 1400 N VAL A 94 -2.266 -3.329 -5.688 1.00 34.32 N ATOM 1401 CA VAL A 94 -2.604 -4.300 -6.670 1.00 64.15 C ATOM 1402 C VAL A 94 -1.375 -4.623 -7.429 1.00 40.54 C ATOM 1403 O VAL A 94 -0.826 -3.772 -8.118 1.00 31.11 O ATOM 1404 CB VAL A 94 -3.710 -3.817 -7.631 1.00 72.33 C ATOM 1405 CG1 VAL A 94 -3.904 -4.804 -8.785 1.00 41.42 C ATOM 1406 CG2 VAL A 94 -4.999 -3.684 -6.874 1.00 42.21 C ATOM 0 H VAL A 94 -2.117 -2.391 -6.060 1.00 34.32 H new ATOM 0 HA VAL A 94 -3.002 -5.181 -6.166 1.00 64.15 H new ATOM 0 HB VAL A 94 -3.412 -2.854 -8.045 1.00 72.33 H new ATOM 0 HG11 VAL A 94 -4.689 -4.440 -9.447 1.00 41.42 H new ATOM 0 HG12 VAL A 94 -2.973 -4.898 -9.344 1.00 41.42 H new ATOM 0 HG13 VAL A 94 -4.188 -5.778 -8.387 1.00 41.42 H new ATOM 0 HG21 VAL A 94 -5.784 -3.343 -7.549 1.00 42.21 H new ATOM 0 HG22 VAL A 94 -5.276 -4.651 -6.455 1.00 42.21 H new ATOM 0 HG23 VAL A 94 -4.874 -2.961 -6.068 1.00 42.21 H new ATOM 1416 N ARG A 95 -0.925 -5.829 -7.284 1.00 52.54 N ATOM 1417 CA ARG A 95 0.238 -6.278 -7.942 1.00 12.23 C ATOM 1418 C ARG A 95 -0.114 -6.596 -9.376 1.00 72.52 C ATOM 1419 O ARG A 95 -0.544 -7.702 -9.710 1.00 14.01 O ATOM 1420 CB ARG A 95 0.892 -7.432 -7.172 1.00 11.34 C ATOM 1421 CG ARG A 95 2.141 -8.000 -7.800 1.00 23.54 C ATOM 1422 CD ARG A 95 2.882 -8.919 -6.821 1.00 4.35 C ATOM 1423 NE ARG A 95 2.033 -9.983 -6.246 1.00 4.41 N ATOM 1424 CZ ARG A 95 2.396 -10.747 -5.196 1.00 32.32 C ATOM 1425 NH1 ARG A 95 3.619 -10.648 -4.695 1.00 44.55 N ATOM 1426 NH2 ARG A 95 1.548 -11.620 -4.669 1.00 43.24 N ATOM 0 H ARG A 95 -1.370 -6.532 -6.694 1.00 52.54 H new ATOM 0 HA ARG A 95 1.001 -5.500 -7.965 1.00 12.23 H new ATOM 0 HB2 ARG A 95 1.136 -7.085 -6.168 1.00 11.34 H new ATOM 0 HB3 ARG A 95 0.162 -8.234 -7.064 1.00 11.34 H new ATOM 0 HG2 ARG A 95 1.879 -8.557 -8.699 1.00 23.54 H new ATOM 0 HG3 ARG A 95 2.798 -7.187 -8.109 1.00 23.54 H new ATOM 0 HD2 ARG A 95 3.726 -9.378 -7.336 1.00 4.35 H new ATOM 0 HD3 ARG A 95 3.292 -8.316 -6.011 1.00 4.35 H new ATOM 0 HE ARG A 95 1.119 -10.149 -6.668 1.00 4.41 H new ATOM 0 HH11 ARG A 95 4.286 -9.994 -5.104 1.00 44.55 H new ATOM 0 HH12 ARG A 95 3.893 -11.226 -3.901 1.00 44.55 H new ATOM 0 HH21 ARG A 95 0.610 -11.719 -5.058 1.00 43.24 H new ATOM 0 HH22 ARG A 95 1.834 -12.193 -3.875 1.00 43.24 H new ATOM 1440 N MET A 96 0.019 -5.555 -10.184 1.00 64.45 N ATOM 1441 CA MET A 96 -0.348 -5.478 -11.594 1.00 24.44 C ATOM 1442 C MET A 96 0.171 -6.665 -12.382 1.00 2.12 C ATOM 1443 O MET A 96 -0.532 -7.171 -13.261 1.00 11.51 O ATOM 1444 CB MET A 96 0.176 -4.125 -12.141 1.00 23.12 C ATOM 1445 CG MET A 96 -0.166 -3.761 -13.582 1.00 12.33 C ATOM 1446 SD MET A 96 0.652 -4.771 -14.834 1.00 3.22 S ATOM 1447 CE MET A 96 0.026 -3.992 -16.314 1.00 23.21 C ATOM 0 H MET A 96 0.415 -4.677 -9.849 1.00 64.45 H new ATOM 0 HA MET A 96 -1.432 -5.521 -11.703 1.00 24.44 H new ATOM 0 HB2 MET A 96 -0.204 -3.333 -11.496 1.00 23.12 H new ATOM 0 HB3 MET A 96 1.262 -4.122 -12.043 1.00 23.12 H new ATOM 0 HG2 MET A 96 -1.244 -3.844 -13.716 1.00 12.33 H new ATOM 0 HG3 MET A 96 0.097 -2.717 -13.750 1.00 12.33 H new ATOM 0 HE1 MET A 96 0.434 -4.495 -17.191 1.00 23.21 H new ATOM 0 HE2 MET A 96 -1.062 -4.061 -16.329 1.00 23.21 H new ATOM 0 HE3 MET A 96 0.323 -2.943 -16.327 1.00 23.21 H new ATOM 1457 N ASP A 97 1.370 -7.122 -12.026 1.00 74.34 N ATOM 1458 CA ASP A 97 2.016 -8.299 -12.642 1.00 44.13 C ATOM 1459 C ASP A 97 1.032 -9.483 -12.796 1.00 21.20 C ATOM 1460 O ASP A 97 0.921 -10.066 -13.869 1.00 24.23 O ATOM 1461 CB ASP A 97 3.237 -8.699 -11.810 1.00 71.10 C ATOM 1462 CG ASP A 97 3.913 -9.966 -12.288 1.00 71.22 C ATOM 1463 OD1 ASP A 97 4.780 -9.895 -13.173 1.00 24.35 O ATOM 1464 OD2 ASP A 97 3.606 -11.044 -11.760 1.00 12.14 O ATOM 0 H ASP A 97 1.933 -6.687 -11.295 1.00 74.34 H new ATOM 0 HA ASP A 97 2.338 -8.030 -13.648 1.00 44.13 H new ATOM 0 HB2 ASP A 97 3.960 -7.884 -11.828 1.00 71.10 H new ATOM 0 HB3 ASP A 97 2.931 -8.831 -10.772 1.00 71.10 H new ATOM 1469 N ASN A 98 0.305 -9.805 -11.737 1.00 62.54 N ATOM 1470 CA ASN A 98 -0.745 -10.844 -11.818 1.00 63.53 C ATOM 1471 C ASN A 98 -2.123 -10.234 -11.751 1.00 52.53 C ATOM 1472 O ASN A 98 -3.121 -10.943 -11.850 1.00 73.35 O ATOM 1473 CB ASN A 98 -0.632 -11.904 -10.722 1.00 20.41 C ATOM 1474 CG ASN A 98 0.534 -12.845 -10.878 1.00 4.43 C ATOM 1475 OD1 ASN A 98 0.985 -13.133 -11.991 1.00 2.03 O ATOM 1476 ND2 ASN A 98 1.003 -13.357 -9.776 1.00 64.13 N ATOM 0 H ASN A 98 0.410 -9.376 -10.817 1.00 62.54 H new ATOM 0 HA ASN A 98 -0.592 -11.332 -12.781 1.00 63.53 H new ATOM 0 HB2 ASN A 98 -0.551 -11.403 -9.757 1.00 20.41 H new ATOM 0 HB3 ASN A 98 -1.553 -12.487 -10.702 1.00 20.41 H new ATOM 0 HD21 ASN A 98 1.773 -14.024 -9.811 1.00 64.13 H new ATOM 0 HD22 ASN A 98 0.600 -13.090 -8.878 1.00 64.13 H new ATOM 1483 N SER A 99 -2.166 -8.913 -11.554 1.00 24.04 N ATOM 1484 CA SER A 99 -3.409 -8.142 -11.447 1.00 63.53 C ATOM 1485 C SER A 99 -4.196 -8.539 -10.172 1.00 24.51 C ATOM 1486 O SER A 99 -5.422 -8.397 -10.099 1.00 62.00 O ATOM 1487 CB SER A 99 -4.241 -8.325 -12.722 1.00 73.14 C ATOM 1488 OG SER A 99 -3.477 -7.939 -13.871 1.00 23.04 O ATOM 0 H SER A 99 -1.327 -8.341 -11.463 1.00 24.04 H new ATOM 0 HA SER A 99 -3.171 -7.083 -11.351 1.00 63.53 H new ATOM 0 HB2 SER A 99 -4.552 -9.365 -12.816 1.00 73.14 H new ATOM 0 HB3 SER A 99 -5.149 -7.725 -12.662 1.00 73.14 H new ATOM 0 HG SER A 99 -2.607 -7.591 -13.584 1.00 23.04 H new ATOM 1494 N GLU A 100 -3.457 -8.972 -9.162 1.00 11.53 N ATOM 1495 CA GLU A 100 -4.017 -9.411 -7.896 1.00 11.34 C ATOM 1496 C GLU A 100 -3.834 -8.333 -6.856 1.00 3.24 C ATOM 1497 O GLU A 100 -3.003 -7.456 -7.007 1.00 41.32 O ATOM 1498 CB GLU A 100 -3.312 -10.678 -7.419 1.00 72.13 C ATOM 1499 CG GLU A 100 -1.840 -10.451 -7.143 1.00 12.13 C ATOM 1500 CD GLU A 100 -1.101 -11.683 -6.675 1.00 45.01 C ATOM 1501 OE1 GLU A 100 -0.577 -12.444 -7.516 1.00 11.23 O ATOM 1502 OE2 GLU A 100 -1.000 -11.883 -5.447 1.00 24.31 O ATOM 0 H GLU A 100 -2.439 -9.029 -9.200 1.00 11.53 H new ATOM 0 HA GLU A 100 -5.078 -9.615 -8.038 1.00 11.34 H new ATOM 0 HB2 GLU A 100 -3.797 -11.041 -6.513 1.00 72.13 H new ATOM 0 HB3 GLU A 100 -3.421 -11.457 -8.173 1.00 72.13 H new ATOM 0 HG2 GLU A 100 -1.365 -10.079 -8.051 1.00 12.13 H new ATOM 0 HG3 GLU A 100 -1.739 -9.672 -6.388 1.00 12.13 H new ATOM 1509 N LYS A 101 -4.586 -8.411 -5.818 1.00 61.35 N ATOM 1510 CA LYS A 101 -4.485 -7.452 -4.747 1.00 20.54 C ATOM 1511 C LYS A 101 -3.623 -8.057 -3.653 1.00 30.45 C ATOM 1512 O LYS A 101 -3.796 -9.227 -3.299 1.00 22.42 O ATOM 1513 CB LYS A 101 -5.868 -7.080 -4.191 1.00 71.34 C ATOM 1514 CG LYS A 101 -6.867 -6.596 -5.245 1.00 51.11 C ATOM 1515 CD LYS A 101 -8.195 -6.180 -4.628 1.00 21.41 C ATOM 1516 CE LYS A 101 -8.894 -7.338 -3.927 1.00 45.21 C ATOM 1517 NZ LYS A 101 -10.170 -6.919 -3.323 1.00 5.51 N ATOM 0 H LYS A 101 -5.291 -9.134 -5.675 1.00 61.35 H new ATOM 0 HA LYS A 101 -4.035 -6.534 -5.126 1.00 20.54 H new ATOM 0 HB2 LYS A 101 -6.287 -7.949 -3.683 1.00 71.34 H new ATOM 0 HB3 LYS A 101 -5.746 -6.300 -3.440 1.00 71.34 H new ATOM 0 HG2 LYS A 101 -6.440 -5.753 -5.788 1.00 51.11 H new ATOM 0 HG3 LYS A 101 -7.039 -7.389 -5.972 1.00 51.11 H new ATOM 0 HD2 LYS A 101 -8.025 -5.375 -3.913 1.00 21.41 H new ATOM 0 HD3 LYS A 101 -8.846 -5.783 -5.406 1.00 21.41 H new ATOM 0 HE2 LYS A 101 -9.076 -8.140 -4.642 1.00 45.21 H new ATOM 0 HE3 LYS A 101 -8.241 -7.743 -3.154 1.00 45.21 H new ATOM 0 HZ1 LYS A 101 -10.617 -7.733 -2.855 1.00 5.51 H new ATOM 0 HZ2 LYS A 101 -9.993 -6.171 -2.622 1.00 5.51 H new ATOM 0 HZ3 LYS A 101 -10.802 -6.556 -4.065 1.00 5.51 H new ATOM 1531 N VAL A 102 -2.694 -7.297 -3.145 1.00 24.04 N ATOM 1532 CA VAL A 102 -1.793 -7.780 -2.134 1.00 4.31 C ATOM 1533 C VAL A 102 -1.444 -6.661 -1.144 1.00 3.31 C ATOM 1534 O VAL A 102 -1.268 -5.501 -1.521 1.00 51.23 O ATOM 1535 CB VAL A 102 -0.496 -8.394 -2.772 1.00 65.10 C ATOM 1536 CG1 VAL A 102 0.271 -7.366 -3.588 1.00 34.22 C ATOM 1537 CG2 VAL A 102 0.402 -9.035 -1.718 1.00 72.44 C ATOM 0 H VAL A 102 -2.539 -6.327 -3.419 1.00 24.04 H new ATOM 0 HA VAL A 102 -2.297 -8.576 -1.586 1.00 4.31 H new ATOM 0 HB VAL A 102 -0.821 -9.181 -3.453 1.00 65.10 H new ATOM 0 HG11 VAL A 102 1.161 -7.829 -4.013 1.00 34.22 H new ATOM 0 HG12 VAL A 102 -0.363 -6.993 -4.393 1.00 34.22 H new ATOM 0 HG13 VAL A 102 0.565 -6.537 -2.945 1.00 34.22 H new ATOM 0 HG21 VAL A 102 1.289 -9.448 -2.198 1.00 72.44 H new ATOM 0 HG22 VAL A 102 0.702 -8.282 -0.989 1.00 72.44 H new ATOM 0 HG23 VAL A 102 -0.142 -9.833 -1.213 1.00 72.44 H new ATOM 1547 N LYS A 103 -1.378 -7.009 0.103 1.00 54.32 N ATOM 1548 CA LYS A 103 -1.038 -6.080 1.139 1.00 43.12 C ATOM 1549 C LYS A 103 0.501 -6.075 1.280 1.00 24.10 C ATOM 1550 O LYS A 103 1.109 -7.138 1.427 1.00 64.31 O ATOM 1551 CB LYS A 103 -1.713 -6.539 2.432 1.00 31.23 C ATOM 1552 CG LYS A 103 -1.589 -5.587 3.581 1.00 22.54 C ATOM 1553 CD LYS A 103 -2.447 -4.360 3.427 1.00 55.11 C ATOM 1554 CE LYS A 103 -3.919 -4.675 3.599 1.00 52.02 C ATOM 1555 NZ LYS A 103 -4.232 -5.220 4.944 1.00 15.23 N ATOM 0 H LYS A 103 -1.560 -7.956 0.436 1.00 54.32 H new ATOM 0 HA LYS A 103 -1.377 -5.069 0.911 1.00 43.12 H new ATOM 0 HB2 LYS A 103 -2.771 -6.708 2.232 1.00 31.23 H new ATOM 0 HB3 LYS A 103 -1.287 -7.498 2.726 1.00 31.23 H new ATOM 0 HG2 LYS A 103 -1.863 -6.101 4.502 1.00 22.54 H new ATOM 0 HG3 LYS A 103 -0.547 -5.284 3.683 1.00 22.54 H new ATOM 0 HD2 LYS A 103 -2.147 -3.613 4.162 1.00 55.11 H new ATOM 0 HD3 LYS A 103 -2.282 -3.923 2.442 1.00 55.11 H new ATOM 0 HE2 LYS A 103 -4.503 -3.769 3.433 1.00 52.02 H new ATOM 0 HE3 LYS A 103 -4.224 -5.395 2.839 1.00 52.02 H new ATOM 0 HZ1 LYS A 103 -5.247 -5.103 5.138 1.00 15.23 H new ATOM 0 HZ2 LYS A 103 -3.988 -6.230 4.975 1.00 15.23 H new ATOM 0 HZ3 LYS A 103 -3.681 -4.709 5.663 1.00 15.23 H new ATOM 1569 N VAL A 104 1.114 -4.901 1.207 1.00 5.33 N ATOM 1570 CA VAL A 104 2.587 -4.772 1.212 1.00 30.33 C ATOM 1571 C VAL A 104 3.020 -3.609 2.117 1.00 21.54 C ATOM 1572 O VAL A 104 2.192 -2.885 2.632 1.00 12.32 O ATOM 1573 CB VAL A 104 3.146 -4.505 -0.226 1.00 72.44 C ATOM 1574 CG1 VAL A 104 2.756 -5.613 -1.193 1.00 62.12 C ATOM 1575 CG2 VAL A 104 2.682 -3.157 -0.751 1.00 41.30 C ATOM 0 H VAL A 104 0.620 -4.011 1.143 1.00 5.33 H new ATOM 0 HA VAL A 104 2.988 -5.715 1.585 1.00 30.33 H new ATOM 0 HB VAL A 104 4.233 -4.491 -0.152 1.00 72.44 H new ATOM 0 HG11 VAL A 104 3.161 -5.393 -2.181 1.00 62.12 H new ATOM 0 HG12 VAL A 104 3.157 -6.563 -0.839 1.00 62.12 H new ATOM 0 HG13 VAL A 104 1.670 -5.678 -1.253 1.00 62.12 H new ATOM 0 HG21 VAL A 104 3.085 -2.998 -1.751 1.00 41.30 H new ATOM 0 HG22 VAL A 104 1.593 -3.137 -0.791 1.00 41.30 H new ATOM 0 HG23 VAL A 104 3.035 -2.367 -0.088 1.00 41.30 H new ATOM 1585 N GLU A 105 4.305 -3.433 2.293 1.00 10.31 N ATOM 1586 CA GLU A 105 4.817 -2.336 3.104 1.00 45.41 C ATOM 1587 C GLU A 105 5.394 -1.249 2.205 1.00 12.03 C ATOM 1588 O GLU A 105 5.794 -1.531 1.092 1.00 23.20 O ATOM 1589 CB GLU A 105 5.846 -2.855 4.090 1.00 61.24 C ATOM 1590 CG GLU A 105 5.268 -3.903 5.020 1.00 1.50 C ATOM 1591 CD GLU A 105 6.268 -4.451 5.983 1.00 11.53 C ATOM 1592 OE1 GLU A 105 6.964 -5.423 5.635 1.00 1.11 O ATOM 1593 OE2 GLU A 105 6.358 -3.926 7.128 1.00 75.24 O ATOM 0 H GLU A 105 5.025 -4.032 1.888 1.00 10.31 H new ATOM 0 HA GLU A 105 4.002 -1.895 3.677 1.00 45.41 H new ATOM 0 HB2 GLU A 105 6.688 -3.280 3.544 1.00 61.24 H new ATOM 0 HB3 GLU A 105 6.235 -2.024 4.678 1.00 61.24 H new ATOM 0 HG2 GLU A 105 4.438 -3.467 5.577 1.00 1.50 H new ATOM 0 HG3 GLU A 105 4.859 -4.721 4.426 1.00 1.50 H new ATOM 1600 N THR A 106 5.401 -0.017 2.668 1.00 22.31 N ATOM 1601 CA THR A 106 5.874 1.099 1.869 1.00 73.24 C ATOM 1602 C THR A 106 6.333 2.254 2.781 1.00 22.22 C ATOM 1603 O THR A 106 6.217 2.172 4.015 1.00 1.11 O ATOM 1604 CB THR A 106 4.772 1.611 0.899 1.00 70.32 C ATOM 1605 OG1 THR A 106 5.337 2.521 -0.063 1.00 34.10 O ATOM 1606 CG2 THR A 106 3.693 2.339 1.677 1.00 43.44 C ATOM 0 H THR A 106 5.082 0.241 3.602 1.00 22.31 H new ATOM 0 HA THR A 106 6.717 0.744 1.276 1.00 73.24 H new ATOM 0 HB THR A 106 4.344 0.751 0.384 1.00 70.32 H new ATOM 0 HG1 THR A 106 6.114 2.104 -0.490 1.00 34.10 H new ATOM 0 HG21 THR A 106 2.925 2.694 0.989 1.00 43.44 H new ATOM 0 HG22 THR A 106 3.245 1.659 2.401 1.00 43.44 H new ATOM 0 HG23 THR A 106 4.132 3.188 2.200 1.00 43.44 H new ATOM 1614 N TYR A 107 6.847 3.303 2.168 1.00 3.45 N ATOM 1615 CA TYR A 107 7.326 4.472 2.871 1.00 63.34 C ATOM 1616 C TYR A 107 6.345 5.606 2.690 1.00 73.43 C ATOM 1617 O TYR A 107 6.100 6.049 1.560 1.00 61.33 O ATOM 1618 CB TYR A 107 8.634 4.960 2.258 1.00 1.21 C ATOM 1619 CG TYR A 107 9.804 4.045 2.349 1.00 30.41 C ATOM 1620 CD1 TYR A 107 10.018 3.046 1.411 1.00 12.14 C ATOM 1621 CD2 TYR A 107 10.722 4.211 3.354 1.00 33.44 C ATOM 1622 CE1 TYR A 107 11.126 2.237 1.489 1.00 34.03 C ATOM 1623 CE2 TYR A 107 11.819 3.412 3.444 1.00 22.53 C ATOM 1624 CZ TYR A 107 12.024 2.427 2.510 1.00 4.10 C ATOM 1625 OH TYR A 107 13.131 1.648 2.595 1.00 5.33 O ATOM 0 H TYR A 107 6.944 3.366 1.155 1.00 3.45 H new ATOM 0 HA TYR A 107 7.454 4.199 3.919 1.00 63.34 H new ATOM 0 HB2 TYR A 107 8.455 5.177 1.205 1.00 1.21 H new ATOM 0 HB3 TYR A 107 8.902 5.902 2.737 1.00 1.21 H new ATOM 0 HD1 TYR A 107 9.307 2.902 0.611 1.00 12.14 H new ATOM 0 HD2 TYR A 107 10.571 4.990 4.087 1.00 33.44 H new ATOM 0 HE1 TYR A 107 11.289 1.461 0.756 1.00 34.03 H new ATOM 0 HE2 TYR A 107 12.527 3.552 4.248 1.00 22.53 H new ATOM 0 HH TYR A 107 13.331 1.466 3.537 1.00 5.33 H new ATOM 1635 N VAL A 108 5.799 6.087 3.769 1.00 1.32 N ATOM 1636 CA VAL A 108 4.932 7.214 3.719 1.00 40.24 C ATOM 1637 C VAL A 108 5.525 8.338 4.556 1.00 24.50 C ATOM 1638 O VAL A 108 6.612 8.196 5.118 1.00 2.24 O ATOM 1639 CB VAL A 108 3.489 6.888 4.188 1.00 20.34 C ATOM 1640 CG1 VAL A 108 2.877 5.789 3.347 1.00 72.30 C ATOM 1641 CG2 VAL A 108 3.441 6.524 5.654 1.00 65.51 C ATOM 0 H VAL A 108 5.946 5.706 4.704 1.00 1.32 H new ATOM 0 HA VAL A 108 4.851 7.523 2.677 1.00 40.24 H new ATOM 0 HB VAL A 108 2.898 7.794 4.054 1.00 20.34 H new ATOM 0 HG11 VAL A 108 1.866 5.582 3.699 1.00 72.30 H new ATOM 0 HG12 VAL A 108 2.841 6.106 2.305 1.00 72.30 H new ATOM 0 HG13 VAL A 108 3.482 4.887 3.431 1.00 72.30 H new ATOM 0 HG21 VAL A 108 2.413 6.303 5.941 1.00 65.51 H new ATOM 0 HG22 VAL A 108 4.063 5.647 5.832 1.00 65.51 H new ATOM 0 HG23 VAL A 108 3.812 7.359 6.249 1.00 65.51 H new ATOM 1651 N TRP A 109 4.832 9.428 4.630 1.00 35.44 N ATOM 1652 CA TRP A 109 5.286 10.590 5.353 1.00 53.41 C ATOM 1653 C TRP A 109 4.567 10.605 6.701 1.00 12.25 C ATOM 1654 O TRP A 109 3.390 10.335 6.750 1.00 2.43 O ATOM 1655 CB TRP A 109 4.915 11.792 4.490 1.00 34.25 C ATOM 1656 CG TRP A 109 5.432 13.124 4.902 1.00 43.34 C ATOM 1657 CD1 TRP A 109 4.693 14.183 5.315 1.00 53.52 C ATOM 1658 CD2 TRP A 109 6.802 13.559 4.898 1.00 31.15 C ATOM 1659 NE1 TRP A 109 5.509 15.258 5.563 1.00 24.41 N ATOM 1660 CE2 TRP A 109 6.806 14.902 5.316 1.00 42.02 C ATOM 1661 CE3 TRP A 109 8.028 12.947 4.584 1.00 43.00 C ATOM 1662 CZ2 TRP A 109 7.973 15.648 5.419 1.00 63.05 C ATOM 1663 CZ3 TRP A 109 9.183 13.694 4.693 1.00 61.41 C ATOM 1664 CH2 TRP A 109 9.148 15.030 5.102 1.00 14.55 C ATOM 0 H TRP A 109 3.921 9.546 4.187 1.00 35.44 H new ATOM 0 HA TRP A 109 6.359 10.598 5.546 1.00 53.41 H new ATOM 0 HB2 TRP A 109 5.262 11.597 3.475 1.00 34.25 H new ATOM 0 HB3 TRP A 109 3.827 11.852 4.449 1.00 34.25 H new ATOM 0 HD1 TRP A 109 3.619 14.181 5.432 1.00 53.52 H new ATOM 0 HE1 TRP A 109 5.198 16.176 5.881 1.00 24.41 H new ATOM 0 HE3 TRP A 109 8.065 11.916 4.265 1.00 43.00 H new ATOM 0 HZ2 TRP A 109 7.952 16.680 5.738 1.00 63.05 H new ATOM 0 HZ3 TRP A 109 10.133 13.237 4.458 1.00 61.41 H new ATOM 0 HH2 TRP A 109 10.072 15.586 5.169 1.00 14.55 H new ATOM 1675 N VAL A 110 5.272 10.903 7.781 1.00 31.10 N ATOM 1676 CA VAL A 110 4.682 10.864 9.125 1.00 53.00 C ATOM 1677 C VAL A 110 3.607 11.928 9.354 1.00 41.53 C ATOM 1678 O VAL A 110 2.770 11.787 10.232 1.00 74.10 O ATOM 1679 CB VAL A 110 5.740 10.942 10.245 1.00 23.34 C ATOM 1680 CG1 VAL A 110 6.623 9.721 10.243 1.00 4.35 C ATOM 1681 CG2 VAL A 110 6.582 12.176 10.114 1.00 12.10 C ATOM 0 H VAL A 110 6.255 11.176 7.761 1.00 31.10 H new ATOM 0 HA VAL A 110 4.196 9.889 9.175 1.00 53.00 H new ATOM 0 HB VAL A 110 5.203 10.986 11.193 1.00 23.34 H new ATOM 0 HG11 VAL A 110 7.359 9.803 11.043 1.00 4.35 H new ATOM 0 HG12 VAL A 110 6.014 8.831 10.401 1.00 4.35 H new ATOM 0 HG13 VAL A 110 7.136 9.644 9.284 1.00 4.35 H new ATOM 0 HG21 VAL A 110 7.318 12.202 10.918 1.00 12.10 H new ATOM 0 HG22 VAL A 110 7.095 12.166 9.153 1.00 12.10 H new ATOM 0 HG23 VAL A 110 5.946 13.059 10.176 1.00 12.10 H new ATOM 1691 N ASN A 111 3.619 12.970 8.545 1.00 3.22 N ATOM 1692 CA ASN A 111 2.670 14.089 8.679 1.00 55.51 C ATOM 1693 C ASN A 111 1.418 13.794 7.820 1.00 71.23 C ATOM 1694 O ASN A 111 0.572 14.654 7.581 1.00 33.32 O ATOM 1695 CB ASN A 111 3.352 15.407 8.265 1.00 74.12 C ATOM 1696 CG ASN A 111 2.594 16.662 8.700 1.00 22.41 C ATOM 1697 OD1 ASN A 111 1.747 17.180 7.990 1.00 33.12 O ATOM 1698 ND2 ASN A 111 2.921 17.161 9.871 1.00 4.41 N ATOM 0 H ASN A 111 4.279 13.077 7.775 1.00 3.22 H new ATOM 0 HA ASN A 111 2.355 14.196 9.717 1.00 55.51 H new ATOM 0 HB2 ASN A 111 4.355 15.435 8.691 1.00 74.12 H new ATOM 0 HB3 ASN A 111 3.465 15.421 7.181 1.00 74.12 H new ATOM 0 HD21 ASN A 111 2.462 18.006 10.211 1.00 4.41 H new ATOM 0 HD22 ASN A 111 3.633 16.703 10.440 1.00 4.41 H new ATOM 1705 N LYS A 112 1.322 12.523 7.402 1.00 3.25 N ATOM 1706 CA LYS A 112 0.295 11.966 6.500 1.00 53.30 C ATOM 1707 C LYS A 112 -1.161 12.303 6.877 1.00 20.42 C ATOM 1708 O LYS A 112 -2.070 12.169 6.040 1.00 32.54 O ATOM 1709 CB LYS A 112 0.462 10.462 6.468 1.00 5.25 C ATOM 1710 CG LYS A 112 0.268 9.847 7.810 1.00 1.33 C ATOM 1711 CD LYS A 112 0.602 8.397 7.825 1.00 64.21 C ATOM 1712 CE LYS A 112 0.330 7.887 9.191 1.00 53.00 C ATOM 1713 NZ LYS A 112 0.710 6.469 9.381 1.00 64.14 N ATOM 0 H LYS A 112 1.994 11.815 7.699 1.00 3.25 H new ATOM 0 HA LYS A 112 0.457 12.430 5.527 1.00 53.30 H new ATOM 0 HB2 LYS A 112 -0.254 10.033 5.767 1.00 5.25 H new ATOM 0 HB3 LYS A 112 1.457 10.216 6.098 1.00 5.25 H new ATOM 0 HG2 LYS A 112 0.890 10.368 8.538 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -0.768 9.981 8.122 1.00 1.33 H new ATOM 0 HD2 LYS A 112 0.004 7.859 7.090 1.00 64.21 H new ATOM 0 HD3 LYS A 112 1.648 8.242 7.560 1.00 64.21 H new ATOM 0 HE2 LYS A 112 0.871 8.499 9.913 1.00 53.00 H new ATOM 0 HE3 LYS A 112 -0.732 8.002 9.408 1.00 53.00 H new ATOM 0 HZ1 LYS A 112 -0.101 5.940 9.760 1.00 64.14 H new ATOM 0 HZ2 LYS A 112 0.994 6.060 8.468 1.00 64.14 H new ATOM 0 HZ3 LYS A 112 1.505 6.409 10.049 1.00 64.14 H new ATOM 1727 N ASP A 113 -1.390 12.728 8.106 1.00 24.34 N ATOM 1728 CA ASP A 113 -2.736 13.092 8.543 1.00 43.24 C ATOM 1729 C ASP A 113 -3.220 14.350 7.801 1.00 30.34 C ATOM 1730 O ASP A 113 -4.422 14.590 7.667 1.00 4.13 O ATOM 1731 CB ASP A 113 -2.784 13.271 10.062 1.00 64.35 C ATOM 1732 CG ASP A 113 -4.156 13.621 10.585 1.00 74.23 C ATOM 1733 OD1 ASP A 113 -5.071 12.778 10.489 1.00 61.03 O ATOM 1734 OD2 ASP A 113 -4.338 14.737 11.110 1.00 52.34 O ATOM 0 H ASP A 113 -0.669 12.831 8.820 1.00 24.34 H new ATOM 0 HA ASP A 113 -3.418 12.279 8.292 1.00 43.24 H new ATOM 0 HB2 ASP A 113 -2.446 12.351 10.539 1.00 64.35 H new ATOM 0 HB3 ASP A 113 -2.084 14.055 10.350 1.00 64.35 H new ATOM 1739 N ASP A 114 -2.274 15.130 7.297 1.00 12.41 N ATOM 1740 CA ASP A 114 -2.577 16.295 6.475 1.00 63.51 C ATOM 1741 C ASP A 114 -1.987 16.110 5.094 1.00 61.41 C ATOM 1742 O ASP A 114 -0.888 15.567 4.963 1.00 54.22 O ATOM 1743 CB ASP A 114 -2.041 17.612 7.078 1.00 72.25 C ATOM 1744 CG ASP A 114 -2.780 18.069 8.306 1.00 62.12 C ATOM 1745 OD1 ASP A 114 -3.837 18.730 8.162 1.00 41.41 O ATOM 1746 OD2 ASP A 114 -2.319 17.811 9.423 1.00 64.51 O ATOM 0 H ASP A 114 -1.277 14.974 7.445 1.00 12.41 H new ATOM 0 HA ASP A 114 -3.663 16.374 6.427 1.00 63.51 H new ATOM 0 HB2 ASP A 114 -0.988 17.483 7.327 1.00 72.25 H new ATOM 0 HB3 ASP A 114 -2.096 18.395 6.321 1.00 72.25 H new ATOM 1751 N PRO A 115 -2.703 16.523 4.032 1.00 14.11 N ATOM 1752 CA PRO A 115 -2.187 16.442 2.670 1.00 72.10 C ATOM 1753 C PRO A 115 -1.010 17.393 2.492 1.00 71.33 C ATOM 1754 O PRO A 115 -1.178 18.615 2.464 1.00 74.31 O ATOM 1755 CB PRO A 115 -3.369 16.885 1.788 1.00 11.24 C ATOM 1756 CG PRO A 115 -4.563 16.815 2.676 1.00 4.21 C ATOM 1757 CD PRO A 115 -4.065 17.085 4.063 1.00 33.41 C ATOM 0 HA PRO A 115 -1.827 15.444 2.418 1.00 72.10 H new ATOM 0 HB2 PRO A 115 -3.220 17.895 1.407 1.00 11.24 H new ATOM 0 HB3 PRO A 115 -3.482 16.232 0.923 1.00 11.24 H new ATOM 0 HG2 PRO A 115 -5.312 17.550 2.381 1.00 4.21 H new ATOM 0 HG3 PRO A 115 -5.037 15.835 2.616 1.00 4.21 H new ATOM 0 HD2 PRO A 115 -4.058 18.151 4.291 1.00 33.41 H new ATOM 0 HD3 PRO A 115 -4.686 16.602 4.818 1.00 33.41 H new ATOM 1765 N ARG A 116 0.181 16.849 2.456 1.00 55.23 N ATOM 1766 CA ARG A 116 1.374 17.657 2.307 1.00 23.34 C ATOM 1767 C ARG A 116 1.845 17.658 0.881 1.00 62.21 C ATOM 1768 O ARG A 116 1.726 16.650 0.184 1.00 22.52 O ATOM 1769 CB ARG A 116 2.486 17.201 3.258 1.00 51.20 C ATOM 1770 CG ARG A 116 2.143 17.282 4.759 1.00 63.30 C ATOM 1771 CD ARG A 116 1.841 18.719 5.249 1.00 32.04 C ATOM 1772 NE ARG A 116 0.619 19.298 4.651 1.00 74.24 N ATOM 1773 CZ ARG A 116 0.098 20.498 4.938 1.00 42.25 C ATOM 1774 NH1 ARG A 116 0.664 21.279 5.845 1.00 33.33 N ATOM 1775 NH2 ARG A 116 -0.991 20.912 4.296 1.00 51.25 N ATOM 0 H ARG A 116 0.354 15.846 2.528 1.00 55.23 H new ATOM 0 HA ARG A 116 1.116 18.681 2.578 1.00 23.34 H new ATOM 0 HB2 ARG A 116 2.748 16.171 3.017 1.00 51.20 H new ATOM 0 HB3 ARG A 116 3.372 17.807 3.071 1.00 51.20 H new ATOM 0 HG2 ARG A 116 1.279 16.649 4.960 1.00 63.30 H new ATOM 0 HG3 ARG A 116 2.975 16.878 5.336 1.00 63.30 H new ATOM 0 HD2 ARG A 116 1.737 18.711 6.334 1.00 32.04 H new ATOM 0 HD3 ARG A 116 2.690 19.361 5.015 1.00 32.04 H new ATOM 0 HE ARG A 116 0.129 18.733 3.958 1.00 74.24 H new ATOM 0 HH11 ARG A 116 1.505 20.968 6.332 1.00 33.33 H new ATOM 0 HH12 ARG A 116 0.260 22.191 6.056 1.00 33.33 H new ATOM 0 HH21 ARG A 116 -1.424 20.317 3.590 1.00 51.25 H new ATOM 0 HH22 ARG A 116 -1.393 21.825 4.510 1.00 51.25 H new ATOM 1789 N MET A 117 2.340 18.820 0.449 1.00 61.11 N ATOM 1790 CA MET A 117 2.831 19.066 -0.918 1.00 70.31 C ATOM 1791 C MET A 117 1.660 19.029 -1.887 1.00 35.43 C ATOM 1792 O MET A 117 1.827 18.955 -3.113 1.00 44.41 O ATOM 1793 CB MET A 117 3.955 18.067 -1.301 1.00 4.33 C ATOM 1794 CG MET A 117 4.726 18.432 -2.566 1.00 0.21 C ATOM 1795 SD MET A 117 5.609 20.005 -2.392 1.00 32.23 S ATOM 1796 CE MET A 117 6.391 20.138 -4.001 1.00 0.04 C ATOM 0 H MET A 117 2.414 19.640 1.052 1.00 61.11 H new ATOM 0 HA MET A 117 3.281 20.057 -0.970 1.00 70.31 H new ATOM 0 HB2 MET A 117 4.658 17.996 -0.471 1.00 4.33 H new ATOM 0 HB3 MET A 117 3.515 17.078 -1.432 1.00 4.33 H new ATOM 0 HG2 MET A 117 5.438 17.640 -2.798 1.00 0.21 H new ATOM 0 HG3 MET A 117 4.035 18.495 -3.406 1.00 0.21 H new ATOM 0 HE1 MET A 117 6.761 21.153 -4.143 1.00 0.04 H new ATOM 0 HE2 MET A 117 7.223 19.437 -4.060 1.00 0.04 H new ATOM 0 HE3 MET A 117 5.664 19.905 -4.779 1.00 0.04 H new ATOM 1920 N GLU A 125 0.619 12.440 -12.838 1.00 63.30 N ATOM 1921 CA GLU A 125 -0.594 13.185 -13.114 1.00 33.23 C ATOM 1922 C GLU A 125 -0.395 14.233 -14.186 1.00 73.23 C ATOM 1923 O GLU A 125 -1.360 14.823 -14.648 1.00 20.22 O ATOM 1924 CB GLU A 125 -1.182 13.815 -11.871 1.00 1.14 C ATOM 1925 CG GLU A 125 -1.578 12.822 -10.808 1.00 15.43 C ATOM 1926 CD GLU A 125 -2.297 13.480 -9.678 1.00 74.42 C ATOM 1927 OE1 GLU A 125 -1.651 14.145 -8.853 1.00 12.14 O ATOM 1928 OE2 GLU A 125 -3.541 13.353 -9.606 1.00 41.11 O ATOM 0 HA GLU A 125 -1.308 12.451 -13.488 1.00 33.23 H new ATOM 0 HB2 GLU A 125 -0.456 14.511 -11.451 1.00 1.14 H new ATOM 0 HB3 GLU A 125 -2.058 14.399 -12.152 1.00 1.14 H new ATOM 0 HG2 GLU A 125 -2.215 12.054 -11.247 1.00 15.43 H new ATOM 0 HG3 GLU A 125 -0.688 12.320 -10.430 1.00 15.43 H new ATOM 1935 N TRP A 126 0.853 14.460 -14.595 1.00 60.51 N ATOM 1936 CA TRP A 126 1.135 15.363 -15.685 1.00 3.44 C ATOM 1937 C TRP A 126 0.442 14.885 -16.961 1.00 53.41 C ATOM 1938 O TRP A 126 0.178 15.658 -17.845 1.00 72.24 O ATOM 1939 CB TRP A 126 2.640 15.554 -15.897 1.00 73.33 C ATOM 1940 CG TRP A 126 2.967 16.536 -16.992 1.00 34.52 C ATOM 1941 CD1 TRP A 126 3.573 16.265 -18.175 1.00 21.55 C ATOM 1942 CD2 TRP A 126 2.650 17.939 -17.018 1.00 52.14 C ATOM 1943 NE1 TRP A 126 3.698 17.412 -18.914 1.00 30.14 N ATOM 1944 CE2 TRP A 126 3.131 18.449 -18.234 1.00 71.42 C ATOM 1945 CE3 TRP A 126 2.021 18.807 -16.133 1.00 15.14 C ATOM 1946 CZ2 TRP A 126 3.002 19.787 -18.584 1.00 63.23 C ATOM 1947 CZ3 TRP A 126 1.890 20.135 -16.482 1.00 23.31 C ATOM 1948 CH2 TRP A 126 2.376 20.612 -17.698 1.00 41.41 C ATOM 0 H TRP A 126 1.678 14.026 -14.181 1.00 60.51 H new ATOM 0 HA TRP A 126 0.733 16.342 -15.423 1.00 3.44 H new ATOM 0 HB2 TRP A 126 3.091 15.896 -14.965 1.00 73.33 H new ATOM 0 HB3 TRP A 126 3.092 14.591 -16.135 1.00 73.33 H new ATOM 0 HD1 TRP A 126 3.908 15.287 -18.489 1.00 21.55 H new ATOM 0 HE1 TRP A 126 4.145 17.479 -19.828 1.00 30.14 H new ATOM 0 HE3 TRP A 126 1.641 18.448 -15.188 1.00 15.14 H new ATOM 0 HZ2 TRP A 126 3.384 20.160 -19.523 1.00 63.23 H new ATOM 0 HZ3 TRP A 126 1.402 20.817 -15.801 1.00 23.31 H new ATOM 0 HH2 TRP A 126 2.254 21.657 -17.943 1.00 41.41 H new ATOM 1959 N ARG A 127 0.129 13.597 -17.028 1.00 35.14 N ATOM 1960 CA ARG A 127 -0.632 13.065 -18.147 1.00 43.11 C ATOM 1961 C ARG A 127 -2.030 13.707 -18.198 1.00 35.41 C ATOM 1962 O ARG A 127 -2.498 14.130 -19.256 1.00 33.51 O ATOM 1963 CB ARG A 127 -0.763 11.543 -18.040 1.00 23.03 C ATOM 1964 CG ARG A 127 0.552 10.785 -18.152 1.00 4.11 C ATOM 1965 CD ARG A 127 0.337 9.286 -17.987 1.00 33.30 C ATOM 1966 NE ARG A 127 -0.603 8.740 -18.987 1.00 23.12 N ATOM 1967 CZ ARG A 127 -1.120 7.501 -18.951 1.00 12.11 C ATOM 1968 NH1 ARG A 127 -0.792 6.667 -17.963 1.00 22.33 N ATOM 1969 NH2 ARG A 127 -1.976 7.108 -19.892 1.00 51.34 N ATOM 0 H ARG A 127 0.389 12.906 -16.324 1.00 35.14 H new ATOM 0 HA ARG A 127 -0.096 13.305 -19.065 1.00 43.11 H new ATOM 0 HB2 ARG A 127 -1.229 11.298 -17.085 1.00 23.03 H new ATOM 0 HB3 ARG A 127 -1.437 11.193 -18.822 1.00 23.03 H new ATOM 0 HG2 ARG A 127 1.009 10.985 -19.121 1.00 4.11 H new ATOM 0 HG3 ARG A 127 1.247 11.142 -17.392 1.00 4.11 H new ATOM 0 HD2 ARG A 127 1.295 8.772 -18.074 1.00 33.30 H new ATOM 0 HD3 ARG A 127 -0.044 9.084 -16.986 1.00 33.30 H new ATOM 0 HE ARG A 127 -0.879 9.347 -19.759 1.00 23.12 H new ATOM 0 HH11 ARG A 127 -0.147 6.970 -17.233 1.00 22.33 H new ATOM 0 HH12 ARG A 127 -1.186 5.726 -17.938 1.00 22.33 H new ATOM 0 HH21 ARG A 127 -2.240 7.748 -20.641 1.00 51.34 H new ATOM 0 HH22 ARG A 127 -2.368 6.167 -19.864 1.00 51.34 H new ATOM 1983 N VAL A 128 -2.683 13.784 -17.049 1.00 11.01 N ATOM 1984 CA VAL A 128 -4.021 14.349 -16.977 1.00 12.34 C ATOM 1985 C VAL A 128 -4.022 15.888 -16.830 1.00 61.43 C ATOM 1986 O VAL A 128 -4.763 16.586 -17.522 1.00 42.22 O ATOM 1987 CB VAL A 128 -4.913 13.672 -15.885 1.00 20.10 C ATOM 1988 CG1 VAL A 128 -5.056 12.188 -16.163 1.00 1.23 C ATOM 1989 CG2 VAL A 128 -4.371 13.889 -14.485 1.00 23.23 C ATOM 0 H VAL A 128 -2.309 13.463 -16.156 1.00 11.01 H new ATOM 0 HA VAL A 128 -4.474 14.123 -17.942 1.00 12.34 H new ATOM 0 HB VAL A 128 -5.893 14.146 -15.934 1.00 20.10 H new ATOM 0 HG11 VAL A 128 -5.680 11.732 -15.394 1.00 1.23 H new ATOM 0 HG12 VAL A 128 -5.520 12.044 -17.139 1.00 1.23 H new ATOM 0 HG13 VAL A 128 -4.072 11.720 -16.156 1.00 1.23 H new ATOM 0 HG21 VAL A 128 -5.024 13.400 -13.762 1.00 23.23 H new ATOM 0 HG22 VAL A 128 -3.369 13.466 -14.413 1.00 23.23 H new ATOM 0 HG23 VAL A 128 -4.329 14.957 -14.272 1.00 23.23 H new ATOM 1999 N VAL A 129 -3.154 16.408 -15.977 1.00 21.22 N ATOM 2000 CA VAL A 129 -3.151 17.833 -15.665 1.00 34.43 C ATOM 2001 C VAL A 129 -2.549 18.661 -16.792 1.00 72.24 C ATOM 2002 O VAL A 129 -2.758 19.847 -16.853 1.00 61.11 O ATOM 2003 CB VAL A 129 -2.454 18.150 -14.310 1.00 3.55 C ATOM 2004 CG1 VAL A 129 -0.964 17.918 -14.351 1.00 63.23 C ATOM 2005 CG2 VAL A 129 -2.806 19.532 -13.770 1.00 12.43 C ATOM 0 H VAL A 129 -2.442 15.867 -15.487 1.00 21.22 H new ATOM 0 HA VAL A 129 -4.198 18.118 -15.561 1.00 34.43 H new ATOM 0 HB VAL A 129 -2.859 17.431 -13.598 1.00 3.55 H new ATOM 0 HG11 VAL A 129 -0.532 18.155 -13.379 1.00 63.23 H new ATOM 0 HG12 VAL A 129 -0.765 16.874 -14.591 1.00 63.23 H new ATOM 0 HG13 VAL A 129 -0.517 18.557 -15.113 1.00 63.23 H new ATOM 0 HG21 VAL A 129 -2.290 19.695 -12.824 1.00 12.43 H new ATOM 0 HG22 VAL A 129 -2.497 20.292 -14.487 1.00 12.43 H new ATOM 0 HG23 VAL A 129 -3.883 19.598 -13.612 1.00 12.43 H new ATOM 2015 N HIS A 130 -1.790 18.018 -17.668 1.00 54.33 N ATOM 2016 CA HIS A 130 -1.185 18.695 -18.856 1.00 0.22 C ATOM 2017 C HIS A 130 -2.243 19.525 -19.603 1.00 20.23 C ATOM 2018 O HIS A 130 -2.005 20.683 -19.943 1.00 40.32 O ATOM 2019 CB HIS A 130 -0.522 17.653 -19.811 1.00 72.53 C ATOM 2020 CG HIS A 130 0.098 18.183 -21.092 1.00 30.04 C ATOM 2021 ND1 HIS A 130 1.453 18.141 -21.345 1.00 70.12 N ATOM 2022 CD2 HIS A 130 -0.464 18.717 -22.210 1.00 22.13 C ATOM 2023 CE1 HIS A 130 1.693 18.629 -22.544 1.00 74.14 C ATOM 2024 NE2 HIS A 130 0.551 18.984 -23.085 1.00 2.13 N ATOM 0 H HIS A 130 -1.565 17.026 -17.597 1.00 54.33 H new ATOM 0 HA HIS A 130 -0.407 19.372 -18.503 1.00 0.22 H new ATOM 0 HB2 HIS A 130 0.253 17.128 -19.253 1.00 72.53 H new ATOM 0 HB3 HIS A 130 -1.276 16.914 -20.081 1.00 72.53 H new ATOM 0 HD1 HIS A 130 2.161 17.786 -20.702 1.00 70.12 H new ATOM 0 HD2 HIS A 130 -1.516 18.896 -22.375 1.00 22.13 H new ATOM 0 HE1 HIS A 130 2.665 18.722 -23.005 1.00 74.14 H new ATOM 2033 N ALA A 131 -3.406 18.941 -19.814 1.00 40.21 N ATOM 2034 CA ALA A 131 -4.486 19.627 -20.514 1.00 22.35 C ATOM 2035 C ALA A 131 -5.026 20.783 -19.672 1.00 65.42 C ATOM 2036 O ALA A 131 -5.235 21.895 -20.181 1.00 21.02 O ATOM 2037 CB ALA A 131 -5.596 18.655 -20.866 1.00 30.51 C ATOM 0 H ALA A 131 -3.632 17.993 -19.513 1.00 40.21 H new ATOM 0 HA ALA A 131 -4.086 20.039 -21.441 1.00 22.35 H new ATOM 0 HB1 ALA A 131 -6.392 19.186 -21.388 1.00 30.51 H new ATOM 0 HB2 ALA A 131 -5.201 17.869 -21.510 1.00 30.51 H new ATOM 0 HB3 ALA A 131 -5.993 18.210 -19.954 1.00 30.51 H new ATOM 2043 N GLU A 132 -5.226 20.516 -18.384 1.00 15.55 N ATOM 2044 CA GLU A 132 -5.729 21.506 -17.429 1.00 65.21 C ATOM 2045 C GLU A 132 -4.761 22.674 -17.300 1.00 34.24 C ATOM 2046 O GLU A 132 -5.160 23.831 -17.291 1.00 74.40 O ATOM 2047 CB GLU A 132 -5.897 20.866 -16.055 1.00 4.13 C ATOM 2048 CG GLU A 132 -6.882 19.721 -15.996 1.00 51.41 C ATOM 2049 CD GLU A 132 -6.970 19.145 -14.611 1.00 14.34 C ATOM 2050 OE1 GLU A 132 -7.653 19.754 -13.746 1.00 12.01 O ATOM 2051 OE2 GLU A 132 -6.346 18.104 -14.349 1.00 52.03 O ATOM 0 H GLU A 132 -5.043 19.602 -17.969 1.00 15.55 H new ATOM 0 HA GLU A 132 -6.689 21.869 -17.797 1.00 65.21 H new ATOM 0 HB2 GLU A 132 -4.925 20.506 -15.718 1.00 4.13 H new ATOM 0 HB3 GLU A 132 -6.214 21.634 -15.350 1.00 4.13 H new ATOM 0 HG2 GLU A 132 -7.866 20.069 -16.310 1.00 51.41 H new ATOM 0 HG3 GLU A 132 -6.580 18.943 -16.697 1.00 51.41 H new ATOM 2058 N LYS A 133 -3.495 22.351 -17.206 1.00 61.01 N ATOM 2059 CA LYS A 133 -2.462 23.322 -17.037 1.00 12.14 C ATOM 2060 C LYS A 133 -2.420 24.264 -18.208 1.00 63.43 C ATOM 2061 O LYS A 133 -2.539 25.454 -18.030 1.00 24.15 O ATOM 2062 CB LYS A 133 -1.108 22.634 -16.870 1.00 70.24 C ATOM 2063 CG LYS A 133 0.116 23.545 -16.637 1.00 24.33 C ATOM 2064 CD LYS A 133 0.112 24.278 -15.272 1.00 72.52 C ATOM 2065 CE LYS A 133 -0.768 25.536 -15.207 1.00 54.11 C ATOM 2066 NZ LYS A 133 -0.263 26.621 -16.077 1.00 62.42 N ATOM 0 H LYS A 133 -3.156 21.390 -17.246 1.00 61.01 H new ATOM 0 HA LYS A 133 -2.680 23.897 -16.137 1.00 12.14 H new ATOM 0 HB2 LYS A 133 -1.180 21.942 -16.031 1.00 70.24 H new ATOM 0 HB3 LYS A 133 -0.920 22.035 -17.761 1.00 70.24 H new ATOM 0 HG2 LYS A 133 1.022 22.943 -16.711 1.00 24.33 H new ATOM 0 HG3 LYS A 133 0.160 24.287 -17.435 1.00 24.33 H new ATOM 0 HD2 LYS A 133 -0.222 23.580 -14.504 1.00 72.52 H new ATOM 0 HD3 LYS A 133 1.136 24.557 -15.025 1.00 72.52 H new ATOM 0 HE2 LYS A 133 -1.786 25.280 -15.503 1.00 54.11 H new ATOM 0 HE3 LYS A 133 -0.815 25.891 -14.177 1.00 54.11 H new ATOM 0 HZ1 LYS A 133 -0.658 27.530 -15.763 1.00 62.42 H new ATOM 0 HZ2 LYS A 133 0.775 26.657 -16.021 1.00 62.42 H new ATOM 0 HZ3 LYS A 133 -0.550 26.440 -17.060 1.00 62.42 H new ATOM 2080 N PHE A 134 -2.285 23.721 -19.409 1.00 74.01 N ATOM 2081 CA PHE A 134 -2.148 24.558 -20.591 1.00 32.11 C ATOM 2082 C PHE A 134 -3.366 25.394 -20.922 1.00 43.22 C ATOM 2083 O PHE A 134 -3.214 26.508 -21.421 1.00 52.14 O ATOM 2084 CB PHE A 134 -1.588 23.816 -21.804 1.00 54.22 C ATOM 2085 CG PHE A 134 -0.137 23.451 -21.642 1.00 60.11 C ATOM 2086 CD1 PHE A 134 0.849 24.404 -21.848 1.00 42.34 C ATOM 2087 CD2 PHE A 134 0.243 22.177 -21.289 1.00 11.32 C ATOM 2088 CE1 PHE A 134 2.183 24.084 -21.700 1.00 64.20 C ATOM 2089 CE2 PHE A 134 1.575 21.849 -21.140 1.00 72.32 C ATOM 2090 CZ PHE A 134 2.546 22.803 -21.345 1.00 61.33 C ATOM 0 H PHE A 134 -2.267 22.717 -19.590 1.00 74.01 H new ATOM 0 HA PHE A 134 -1.388 25.285 -20.305 1.00 32.11 H new ATOM 0 HB2 PHE A 134 -2.170 22.910 -21.971 1.00 54.22 H new ATOM 0 HB3 PHE A 134 -1.705 24.438 -22.691 1.00 54.22 H new ATOM 0 HD1 PHE A 134 0.569 25.409 -22.128 1.00 42.34 H new ATOM 0 HD2 PHE A 134 -0.512 21.422 -21.126 1.00 11.32 H new ATOM 0 HE1 PHE A 134 2.941 24.836 -21.862 1.00 64.20 H new ATOM 0 HE2 PHE A 134 1.856 20.844 -20.863 1.00 72.32 H new ATOM 0 HZ PHE A 134 3.589 22.548 -21.228 1.00 61.33 H new ATOM 2100 N VAL A 135 -4.572 24.899 -20.635 1.00 2.31 N ATOM 2101 CA VAL A 135 -5.746 25.725 -20.872 1.00 62.41 C ATOM 2102 C VAL A 135 -5.687 26.960 -19.970 1.00 31.10 C ATOM 2103 O VAL A 135 -5.923 28.080 -20.416 1.00 31.21 O ATOM 2104 CB VAL A 135 -7.113 24.956 -20.722 1.00 34.01 C ATOM 2105 CG1 VAL A 135 -7.317 24.379 -19.342 1.00 3.32 C ATOM 2106 CG2 VAL A 135 -8.271 25.851 -21.087 1.00 43.11 C ATOM 0 H VAL A 135 -4.754 23.970 -20.255 1.00 2.31 H new ATOM 0 HA VAL A 135 -5.719 26.032 -21.918 1.00 62.41 H new ATOM 0 HB VAL A 135 -7.071 24.116 -21.415 1.00 34.01 H new ATOM 0 HG11 VAL A 135 -8.276 23.862 -19.302 1.00 3.32 H new ATOM 0 HG12 VAL A 135 -6.515 23.675 -19.120 1.00 3.32 H new ATOM 0 HG13 VAL A 135 -7.308 25.183 -18.606 1.00 3.32 H new ATOM 0 HG21 VAL A 135 -9.205 25.300 -20.977 1.00 43.11 H new ATOM 0 HG22 VAL A 135 -8.281 26.719 -20.428 1.00 43.11 H new ATOM 0 HG23 VAL A 135 -8.164 26.181 -22.120 1.00 43.11 H new ATOM 2116 N GLU A 136 -5.294 26.753 -18.724 1.00 50.01 N ATOM 2117 CA GLU A 136 -5.150 27.839 -17.793 1.00 20.22 C ATOM 2118 C GLU A 136 -3.946 28.683 -18.123 1.00 41.24 C ATOM 2119 O GLU A 136 -4.002 29.885 -17.987 1.00 73.41 O ATOM 2120 CB GLU A 136 -5.068 27.341 -16.372 1.00 34.21 C ATOM 2121 CG GLU A 136 -6.327 26.669 -15.897 1.00 12.42 C ATOM 2122 CD GLU A 136 -7.535 27.594 -15.918 1.00 51.30 C ATOM 2123 OE1 GLU A 136 -7.758 28.346 -14.936 1.00 34.13 O ATOM 2124 OE2 GLU A 136 -8.297 27.583 -16.909 1.00 43.33 O ATOM 0 H GLU A 136 -5.070 25.835 -18.341 1.00 50.01 H new ATOM 0 HA GLU A 136 -6.041 28.461 -17.883 1.00 20.22 H new ATOM 0 HB2 GLU A 136 -4.238 26.640 -16.289 1.00 34.21 H new ATOM 0 HB3 GLU A 136 -4.843 28.180 -15.714 1.00 34.21 H new ATOM 0 HG2 GLU A 136 -6.529 25.801 -16.525 1.00 12.42 H new ATOM 0 HG3 GLU A 136 -6.176 26.300 -14.883 1.00 12.42 H new ATOM 2131 N THR A 137 -2.859 28.039 -18.565 1.00 24.51 N ATOM 2132 CA THR A 137 -1.634 28.748 -18.965 1.00 15.43 C ATOM 2133 C THR A 137 -1.965 29.877 -19.922 1.00 64.13 C ATOM 2134 O THR A 137 -1.606 31.010 -19.677 1.00 73.32 O ATOM 2135 CB THR A 137 -0.601 27.805 -19.665 1.00 50.32 C ATOM 2136 OG1 THR A 137 -0.195 26.742 -18.782 1.00 63.42 O ATOM 2137 CG2 THR A 137 0.638 28.586 -20.117 1.00 0.34 C ATOM 0 H THR A 137 -2.801 27.025 -18.655 1.00 24.51 H new ATOM 0 HA THR A 137 -1.190 29.135 -18.048 1.00 15.43 H new ATOM 0 HB THR A 137 -1.092 27.377 -20.539 1.00 50.32 H new ATOM 0 HG1 THR A 137 0.450 26.164 -19.241 1.00 63.42 H new ATOM 0 HG21 THR A 137 1.340 27.907 -20.600 1.00 0.34 H new ATOM 0 HG22 THR A 137 0.341 29.363 -20.822 1.00 0.34 H new ATOM 0 HG23 THR A 137 1.115 29.045 -19.251 1.00 0.34 H new ATOM 2145 N PHE A 138 -2.710 29.571 -20.973 1.00 63.24 N ATOM 2146 CA PHE A 138 -3.056 30.578 -21.947 1.00 43.41 C ATOM 2147 C PHE A 138 -4.043 31.588 -21.407 1.00 45.23 C ATOM 2148 O PHE A 138 -3.903 32.774 -21.660 1.00 10.02 O ATOM 2149 CB PHE A 138 -3.514 29.973 -23.279 1.00 3.34 C ATOM 2150 CG PHE A 138 -2.401 29.289 -24.038 1.00 74.54 C ATOM 2151 CD1 PHE A 138 -2.103 27.957 -23.828 1.00 55.11 C ATOM 2152 CD2 PHE A 138 -1.649 29.997 -24.964 1.00 62.14 C ATOM 2153 CE1 PHE A 138 -1.079 27.339 -24.519 1.00 22.31 C ATOM 2154 CE2 PHE A 138 -0.623 29.385 -25.659 1.00 55.52 C ATOM 2155 CZ PHE A 138 -0.338 28.055 -25.435 1.00 24.12 C ATOM 0 H PHE A 138 -3.081 28.641 -21.167 1.00 63.24 H new ATOM 0 HA PHE A 138 -2.137 31.126 -22.158 1.00 43.41 H new ATOM 0 HB2 PHE A 138 -4.310 29.254 -23.089 1.00 3.34 H new ATOM 0 HB3 PHE A 138 -3.938 30.761 -23.901 1.00 3.34 H new ATOM 0 HD1 PHE A 138 -2.680 27.390 -23.112 1.00 55.11 H new ATOM 0 HD2 PHE A 138 -1.868 31.039 -25.144 1.00 62.14 H new ATOM 0 HE1 PHE A 138 -0.859 26.297 -24.342 1.00 22.31 H new ATOM 0 HE2 PHE A 138 -0.045 29.948 -26.377 1.00 55.52 H new ATOM 0 HZ PHE A 138 0.464 27.575 -25.976 1.00 24.12 H new ATOM 2165 N ARG A 139 -5.015 31.135 -20.629 1.00 22.35 N ATOM 2166 CA ARG A 139 -6.003 32.046 -20.047 1.00 1.11 C ATOM 2167 C ARG A 139 -5.335 33.031 -19.094 1.00 64.03 C ATOM 2168 O ARG A 139 -5.541 34.240 -19.202 1.00 5.32 O ATOM 2169 CB ARG A 139 -7.109 31.288 -19.322 1.00 4.00 C ATOM 2170 CG ARG A 139 -7.889 30.349 -20.209 1.00 12.41 C ATOM 2171 CD ARG A 139 -8.974 29.639 -19.435 1.00 63.11 C ATOM 2172 NE ARG A 139 -9.991 30.569 -18.927 1.00 44.12 N ATOM 2173 CZ ARG A 139 -10.725 30.356 -17.832 1.00 12.51 C ATOM 2174 NH1 ARG A 139 -10.452 29.322 -17.033 1.00 3.42 N ATOM 2175 NH2 ARG A 139 -11.704 31.192 -17.512 1.00 22.25 N ATOM 0 H ARG A 139 -5.145 30.153 -20.385 1.00 22.35 H new ATOM 0 HA ARG A 139 -6.456 32.600 -20.870 1.00 1.11 H new ATOM 0 HB2 ARG A 139 -6.669 30.718 -18.504 1.00 4.00 H new ATOM 0 HB3 ARG A 139 -7.797 32.007 -18.876 1.00 4.00 H new ATOM 0 HG2 ARG A 139 -8.333 30.908 -21.033 1.00 12.41 H new ATOM 0 HG3 ARG A 139 -7.213 29.615 -20.649 1.00 12.41 H new ATOM 0 HD2 ARG A 139 -9.450 28.897 -20.077 1.00 63.11 H new ATOM 0 HD3 ARG A 139 -8.528 29.099 -18.600 1.00 63.11 H new ATOM 0 HE ARG A 139 -10.147 31.434 -19.444 1.00 44.12 H new ATOM 0 HH11 ARG A 139 -9.681 28.693 -17.258 1.00 3.42 H new ATOM 0 HH12 ARG A 139 -11.014 29.161 -16.197 1.00 3.42 H new ATOM 0 HH21 ARG A 139 -11.898 32.000 -18.103 1.00 22.25 H new ATOM 0 HH22 ARG A 139 -12.263 31.026 -16.675 1.00 22.25 H new ATOM 2189 N LYS A 140 -4.507 32.513 -18.192 1.00 42.24 N ATOM 2190 CA LYS A 140 -3.804 33.348 -17.227 1.00 22.45 C ATOM 2191 C LYS A 140 -2.814 34.239 -17.943 1.00 70.12 C ATOM 2192 O LYS A 140 -2.605 35.376 -17.551 1.00 61.04 O ATOM 2193 CB LYS A 140 -3.039 32.510 -16.193 1.00 41.55 C ATOM 2194 CG LYS A 140 -3.874 31.542 -15.359 1.00 72.34 C ATOM 2195 CD LYS A 140 -4.949 32.244 -14.560 1.00 71.42 C ATOM 2196 CE LYS A 140 -5.690 31.263 -13.675 1.00 14.13 C ATOM 2197 NZ LYS A 140 -6.785 31.907 -12.923 1.00 11.42 N ATOM 0 H LYS A 140 -4.307 31.516 -18.110 1.00 42.24 H new ATOM 0 HA LYS A 140 -4.556 33.942 -16.708 1.00 22.45 H new ATOM 0 HB2 LYS A 140 -2.272 31.938 -16.715 1.00 41.55 H new ATOM 0 HB3 LYS A 140 -2.524 33.190 -15.515 1.00 41.55 H new ATOM 0 HG2 LYS A 140 -4.337 30.807 -16.017 1.00 72.34 H new ATOM 0 HG3 LYS A 140 -3.220 30.995 -14.680 1.00 72.34 H new ATOM 0 HD2 LYS A 140 -4.501 33.026 -13.947 1.00 71.42 H new ATOM 0 HD3 LYS A 140 -5.651 32.732 -15.236 1.00 71.42 H new ATOM 0 HE2 LYS A 140 -6.097 30.459 -14.288 1.00 14.13 H new ATOM 0 HE3 LYS A 140 -4.990 30.807 -12.975 1.00 14.13 H new ATOM 0 HZ1 LYS A 140 -7.264 31.198 -12.331 1.00 11.42 H new ATOM 0 HZ2 LYS A 140 -6.396 32.658 -12.317 1.00 11.42 H new ATOM 0 HZ3 LYS A 140 -7.468 32.320 -13.590 1.00 11.42 H new ATOM 2211 N MET A 141 -2.211 33.706 -19.002 1.00 70.22 N ATOM 2212 CA MET A 141 -1.228 34.431 -19.802 1.00 63.04 C ATOM 2213 C MET A 141 -1.887 35.635 -20.448 1.00 43.33 C ATOM 2214 O MET A 141 -1.311 36.704 -20.502 1.00 15.42 O ATOM 2215 CB MET A 141 -0.637 33.511 -20.879 1.00 15.10 C ATOM 2216 CG MET A 141 0.544 34.080 -21.650 1.00 34.32 C ATOM 2217 SD MET A 141 1.966 34.459 -20.592 1.00 14.31 S ATOM 2218 CE MET A 141 2.322 32.837 -19.908 1.00 22.20 C ATOM 0 H MET A 141 -2.391 32.757 -19.330 1.00 70.22 H new ATOM 0 HA MET A 141 -0.420 34.769 -19.154 1.00 63.04 H new ATOM 0 HB2 MET A 141 -0.325 32.580 -20.406 1.00 15.10 H new ATOM 0 HB3 MET A 141 -1.425 33.259 -21.589 1.00 15.10 H new ATOM 0 HG2 MET A 141 0.848 33.367 -22.416 1.00 34.32 H new ATOM 0 HG3 MET A 141 0.230 34.987 -22.166 1.00 34.32 H new ATOM 0 HE1 MET A 141 3.321 32.838 -19.471 1.00 22.20 H new ATOM 0 HE2 MET A 141 1.589 32.598 -19.138 1.00 22.20 H new ATOM 0 HE3 MET A 141 2.273 32.089 -20.700 1.00 22.20 H new ATOM 2228 N LEU A 142 -3.118 35.456 -20.915 1.00 51.44 N ATOM 2229 CA LEU A 142 -3.870 36.545 -21.517 1.00 63.22 C ATOM 2230 C LEU A 142 -4.191 37.598 -20.467 1.00 32.12 C ATOM 2231 O LEU A 142 -4.065 38.795 -20.723 1.00 53.52 O ATOM 2232 CB LEU A 142 -5.163 36.041 -22.174 1.00 22.42 C ATOM 2233 CG LEU A 142 -5.008 34.995 -23.282 1.00 71.31 C ATOM 2234 CD1 LEU A 142 -6.360 34.622 -23.860 1.00 40.13 C ATOM 2235 CD2 LEU A 142 -4.061 35.474 -24.372 1.00 54.12 C ATOM 0 H LEU A 142 -3.614 34.565 -20.887 1.00 51.44 H new ATOM 0 HA LEU A 142 -3.252 36.989 -22.297 1.00 63.22 H new ATOM 0 HB2 LEU A 142 -5.799 35.620 -21.395 1.00 22.42 H new ATOM 0 HB3 LEU A 142 -5.692 36.900 -22.588 1.00 22.42 H new ATOM 0 HG LEU A 142 -4.569 34.102 -22.838 1.00 71.31 H new ATOM 0 HD11 LEU A 142 -6.227 33.878 -24.645 1.00 40.13 H new ATOM 0 HD12 LEU A 142 -6.991 34.210 -23.073 1.00 40.13 H new ATOM 0 HD13 LEU A 142 -6.834 35.510 -24.278 1.00 40.13 H new ATOM 0 HD21 LEU A 142 -3.975 34.707 -25.142 1.00 54.12 H new ATOM 0 HD22 LEU A 142 -4.450 36.391 -24.815 1.00 54.12 H new ATOM 0 HD23 LEU A 142 -3.079 35.668 -23.941 1.00 54.12 H new ATOM 2247 N GLU A 143 -4.572 37.143 -19.272 1.00 61.11 N ATOM 2248 CA GLU A 143 -4.880 38.050 -18.169 1.00 72.52 C ATOM 2249 C GLU A 143 -3.626 38.786 -17.736 1.00 52.34 C ATOM 2250 O GLU A 143 -3.669 39.932 -17.331 1.00 63.21 O ATOM 2251 CB GLU A 143 -5.410 37.299 -16.955 1.00 13.32 C ATOM 2252 CG GLU A 143 -6.597 36.412 -17.204 1.00 15.21 C ATOM 2253 CD GLU A 143 -7.155 35.886 -15.920 1.00 24.51 C ATOM 2254 OE1 GLU A 143 -6.666 34.864 -15.404 1.00 34.43 O ATOM 2255 OE2 GLU A 143 -8.081 36.517 -15.378 1.00 24.14 O ATOM 0 H GLU A 143 -4.674 36.154 -19.045 1.00 61.11 H new ATOM 0 HA GLU A 143 -5.640 38.743 -18.530 1.00 72.52 H new ATOM 0 HB2 GLU A 143 -4.603 36.690 -16.547 1.00 13.32 H new ATOM 0 HB3 GLU A 143 -5.678 38.027 -16.189 1.00 13.32 H new ATOM 0 HG2 GLU A 143 -7.367 36.970 -17.737 1.00 15.21 H new ATOM 0 HG3 GLU A 143 -6.305 35.580 -17.845 1.00 15.21 H new ATOM 2262 N TRP A 144 -2.527 38.106 -17.809 1.00 31.43 N ATOM 2263 CA TRP A 144 -1.246 38.632 -17.411 1.00 3.24 C ATOM 2264 C TRP A 144 -0.722 39.614 -18.467 1.00 71.41 C ATOM 2265 O TRP A 144 -0.069 40.597 -18.146 1.00 53.14 O ATOM 2266 CB TRP A 144 -0.296 37.451 -17.209 1.00 4.45 C ATOM 2267 CG TRP A 144 1.042 37.776 -16.650 1.00 35.25 C ATOM 2268 CD1 TRP A 144 1.309 38.212 -15.393 1.00 54.12 C ATOM 2269 CD2 TRP A 144 2.298 37.637 -17.308 1.00 45.04 C ATOM 2270 NE1 TRP A 144 2.654 38.371 -15.229 1.00 12.40 N ATOM 2271 CE2 TRP A 144 3.288 38.021 -16.395 1.00 42.23 C ATOM 2272 CE3 TRP A 144 2.681 37.232 -18.583 1.00 24.21 C ATOM 2273 CZ2 TRP A 144 4.642 38.006 -16.715 1.00 12.33 C ATOM 2274 CZ3 TRP A 144 4.023 37.219 -18.899 1.00 32.13 C ATOM 2275 CH2 TRP A 144 4.986 37.602 -17.970 1.00 73.40 C ATOM 0 H TRP A 144 -2.487 37.147 -18.154 1.00 31.43 H new ATOM 0 HA TRP A 144 -1.329 39.190 -16.478 1.00 3.24 H new ATOM 0 HB2 TRP A 144 -0.779 36.732 -16.547 1.00 4.45 H new ATOM 0 HB3 TRP A 144 -0.155 36.956 -18.170 1.00 4.45 H new ATOM 0 HD1 TRP A 144 0.566 38.405 -14.634 1.00 54.12 H new ATOM 0 HE1 TRP A 144 3.113 38.697 -14.379 1.00 12.40 H new ATOM 0 HE3 TRP A 144 1.941 36.934 -19.311 1.00 24.21 H new ATOM 0 HZ2 TRP A 144 5.391 38.303 -15.996 1.00 12.33 H new ATOM 0 HZ3 TRP A 144 4.333 36.906 -19.885 1.00 32.13 H new ATOM 0 HH2 TRP A 144 6.029 37.578 -18.250 1.00 73.40 H new ATOM 2286 N ASN A 145 -1.040 39.335 -19.716 1.00 62.42 N ATOM 2287 CA ASN A 145 -0.610 40.167 -20.833 1.00 60.42 C ATOM 2288 C ASN A 145 -1.467 41.418 -20.988 1.00 2.04 C ATOM 2289 O ASN A 145 -0.939 42.517 -21.132 1.00 15.13 O ATOM 2290 CB ASN A 145 -0.579 39.359 -22.138 1.00 0.21 C ATOM 2291 CG ASN A 145 -0.199 40.191 -23.348 1.00 75.11 C ATOM 2292 OD1 ASN A 145 -1.070 40.732 -24.048 1.00 34.13 O ATOM 2293 ND2 ASN A 145 1.077 40.313 -23.598 1.00 23.31 N ATOM 0 H ASN A 145 -1.602 38.529 -19.989 1.00 62.42 H new ATOM 0 HA ASN A 145 0.403 40.501 -20.609 1.00 60.42 H new ATOM 0 HB2 ASN A 145 0.130 38.538 -22.033 1.00 0.21 H new ATOM 0 HB3 ASN A 145 -1.560 38.913 -22.305 1.00 0.21 H new ATOM 0 HD21 ASN A 145 1.390 40.869 -24.394 1.00 23.31 H new ATOM 0 HD22 ASN A 145 1.761 39.852 -22.998 1.00 23.31 H new ATOM 2300 N LYS A 146 -2.783 41.265 -20.945 1.00 73.21 N ATOM 2301 CA LYS A 146 -3.669 42.420 -21.091 1.00 34.51 C ATOM 2302 C LYS A 146 -3.754 43.174 -19.768 1.00 74.14 C ATOM 2303 O LYS A 146 -3.865 44.403 -19.740 1.00 41.33 O ATOM 2304 CB LYS A 146 -5.066 41.974 -21.525 1.00 50.24 C ATOM 2305 CG LYS A 146 -6.030 43.123 -21.769 1.00 13.10 C ATOM 2306 CD LYS A 146 -7.405 42.616 -22.123 1.00 60.44 C ATOM 2307 CE LYS A 146 -8.350 43.760 -22.442 1.00 10.31 C ATOM 2308 NZ LYS A 146 -9.704 43.275 -22.766 1.00 51.55 N ATOM 0 H LYS A 146 -3.258 40.372 -20.813 1.00 73.21 H new ATOM 0 HA LYS A 146 -3.261 43.078 -21.858 1.00 34.51 H new ATOM 0 HB2 LYS A 146 -4.981 41.384 -22.437 1.00 50.24 H new ATOM 0 HB3 LYS A 146 -5.482 41.320 -20.759 1.00 50.24 H new ATOM 0 HG2 LYS A 146 -6.088 43.748 -20.878 1.00 13.10 H new ATOM 0 HG3 LYS A 146 -5.653 43.752 -22.575 1.00 13.10 H new ATOM 0 HD2 LYS A 146 -7.338 41.947 -22.981 1.00 60.44 H new ATOM 0 HD3 LYS A 146 -7.804 42.032 -21.294 1.00 60.44 H new ATOM 0 HE2 LYS A 146 -8.401 44.438 -21.590 1.00 10.31 H new ATOM 0 HE3 LYS A 146 -7.958 44.332 -23.283 1.00 10.31 H new ATOM 0 HZ1 LYS A 146 -10.321 44.085 -22.978 1.00 51.55 H new ATOM 0 HZ2 LYS A 146 -9.659 42.647 -23.594 1.00 51.55 H new ATOM 0 HZ3 LYS A 146 -10.088 42.750 -21.954 1.00 51.55 H new ATOM 2322 N ASN A 147 -3.652 42.418 -18.697 1.00 15.12 N ATOM 2323 CA ASN A 147 -3.653 42.906 -17.314 1.00 20.31 C ATOM 2324 C ASN A 147 -4.914 43.701 -16.919 1.00 20.01 C ATOM 2325 O ASN A 147 -4.944 44.921 -17.019 1.00 52.53 O ATOM 2326 CB ASN A 147 -2.383 43.695 -16.982 1.00 72.14 C ATOM 2327 CG ASN A 147 -2.346 44.137 -15.537 1.00 42.03 C ATOM 2328 OD1 ASN A 147 -2.874 43.444 -14.639 1.00 20.34 O ATOM 2329 ND2 ASN A 147 -1.760 45.276 -15.295 1.00 25.42 N ATOM 0 H ASN A 147 -3.562 41.404 -18.756 1.00 15.12 H new ATOM 0 HA ASN A 147 -3.669 42.002 -16.705 1.00 20.31 H new ATOM 0 HB2 ASN A 147 -1.509 43.079 -17.194 1.00 72.14 H new ATOM 0 HB3 ASN A 147 -2.321 44.570 -17.629 1.00 72.14 H new ATOM 0 HD21 ASN A 147 -1.719 45.636 -14.341 1.00 25.42 H new ATOM 0 HD22 ASN A 147 -1.343 45.807 -16.059 1.00 25.42 H new ATOM 2336 N PRO A 148 -5.993 43.009 -16.515 1.00 73.11 N ATOM 2337 CA PRO A 148 -7.192 43.662 -16.015 1.00 62.32 C ATOM 2338 C PRO A 148 -7.184 43.801 -14.474 1.00 65.45 C ATOM 2339 O PRO A 148 -7.945 44.573 -13.905 1.00 25.02 O ATOM 2340 CB PRO A 148 -8.321 42.707 -16.452 1.00 31.13 C ATOM 2341 CG PRO A 148 -7.642 41.446 -16.942 1.00 60.24 C ATOM 2342 CD PRO A 148 -6.183 41.563 -16.596 1.00 75.25 C ATOM 0 HA PRO A 148 -7.293 44.678 -16.398 1.00 62.32 H new ATOM 0 HB2 PRO A 148 -8.991 42.490 -15.620 1.00 31.13 H new ATOM 0 HB3 PRO A 148 -8.926 43.155 -17.240 1.00 31.13 H new ATOM 0 HG2 PRO A 148 -8.080 40.566 -16.471 1.00 60.24 H new ATOM 0 HG3 PRO A 148 -7.774 41.331 -18.018 1.00 60.24 H new ATOM 0 HD2 PRO A 148 -5.949 41.069 -15.653 1.00 75.25 H new ATOM 0 HD3 PRO A 148 -5.548 41.112 -17.358 1.00 75.25 H new ATOM 2350 N ASN A 149 -6.313 43.048 -13.816 1.00 34.31 N ATOM 2351 CA ASN A 149 -6.297 42.996 -12.352 1.00 43.24 C ATOM 2352 C ASN A 149 -5.339 44.038 -11.750 1.00 44.34 C ATOM 2353 O ASN A 149 -5.455 44.399 -10.576 1.00 73.44 O ATOM 2354 CB ASN A 149 -5.925 41.575 -11.888 1.00 24.53 C ATOM 2355 CG ASN A 149 -5.978 41.360 -10.368 1.00 13.24 C ATOM 2356 OD1 ASN A 149 -5.204 40.577 -9.824 1.00 13.41 O ATOM 2357 ND2 ASN A 149 -6.900 42.001 -9.689 1.00 52.53 N ATOM 0 H ASN A 149 -5.608 42.465 -14.267 1.00 34.31 H new ATOM 0 HA ASN A 149 -7.296 43.241 -11.993 1.00 43.24 H new ATOM 0 HB2 ASN A 149 -6.599 40.864 -12.365 1.00 24.53 H new ATOM 0 HB3 ASN A 149 -4.919 41.345 -12.239 1.00 24.53 H new ATOM 0 HD21 ASN A 149 -6.987 41.855 -8.683 1.00 52.53 H new ATOM 0 HD22 ASN A 149 -7.530 42.646 -10.167 1.00 52.53 H new ATOM 2364 N GLY A 150 -4.411 44.515 -12.537 1.00 14.22 N ATOM 2365 CA GLY A 150 -3.472 45.501 -12.041 1.00 11.34 C ATOM 2366 C GLY A 150 -2.216 44.860 -11.490 1.00 4.43 C ATOM 2367 O GLY A 150 -1.591 45.378 -10.562 1.00 3.43 O ATOM 0 H GLY A 150 -4.281 44.245 -13.512 1.00 14.22 H new ATOM 0 HA2 GLY A 150 -3.206 46.186 -12.846 1.00 11.34 H new ATOM 0 HA3 GLY A 150 -3.948 46.095 -11.261 1.00 11.34 H new