USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=29 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 44 TYR OH : rot 23:sc= 0.84 USER MOD Set 1.2: A 56 SER OG : rot 99:sc= 0.109 USER MOD Set 2.1: A 33 THR OG1 : rot -150:sc= 0.403 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -169:sc= 1.49 (180deg=0.489) USER MOD Set 3.1: A 16 SER OG : rot -0:sc= 0.253! USER MOD Set 3.2: A 133 LYS NZ :NH3+ -149:sc= 0.151 (180deg=0.00133) USER MOD Single : A 8 SER OG : rot 35:sc= 0.0707 USER MOD Single : A 9 HIS :FLIP no HE2:sc= -1.03 F(o=-2.2,f=-1) USER MOD Single : A 10 ASN : amide:sc= -3.58! C(o=-3.6!,f=-6.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 39 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.65) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.047) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.193 (180deg=-0.744) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0279) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 110:sc= -3.31! USER MOD Single : A 57 SER OG : rot 180:sc= 0 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 : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 68 THR OG1 : rot -62:sc= 1.19 USER MOD Single : A 71 SER OG : rot 88:sc= 1.22 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.507 F(o=-1.9!,f=-0.51) USER MOD Single : A 77 ASN : amide:sc= -1.95! C(o=-1.9!,f=-2.6!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -76:sc= 1.34 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 99 SER OG : rot -40:sc= 0.612 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 107 TYR OH : rot 180:sc=-0.00353 USER MOD Single : A 111 ASN : amide:sc= -2.01! C(o=-2!,f=-4.3!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -121:sc= -0.305 (180deg=-3.14!) USER MOD Single : A 130 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 137 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= -0.0128 (180deg=-0.19) USER MOD Single : A 141 MET CE :methyl 144:sc= -0.328 (180deg=-0.963) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 0.237 K(o=0.24,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 6.808 -13.286 3.477 1.00 34.41 N ATOM 94 CA SER A 8 7.884 -12.401 3.057 1.00 1.35 C ATOM 95 C SER A 8 7.446 -10.948 3.248 1.00 44.32 C ATOM 96 O SER A 8 6.403 -10.663 3.852 1.00 21.31 O ATOM 97 CB SER A 8 8.262 -12.664 1.588 1.00 25.45 C ATOM 98 OG SER A 8 8.650 -14.011 1.398 1.00 12.42 O ATOM 0 HA SER A 8 8.766 -12.594 3.668 1.00 1.35 H new ATOM 0 HB2 SER A 8 7.414 -12.432 0.943 1.00 25.45 H new ATOM 0 HB3 SER A 8 9.077 -12.002 1.294 1.00 25.45 H new ATOM 0 HG SER A 8 8.120 -14.590 1.984 1.00 12.42 H new ATOM 104 N HIS A 9 8.237 -10.050 2.808 1.00 42.13 N ATOM 105 CA HIS A 9 7.876 -8.676 2.832 1.00 22.22 C ATOM 106 C HIS A 9 7.997 -8.112 1.467 1.00 52.43 C ATOM 107 O HIS A 9 8.865 -8.516 0.684 1.00 2.42 O ATOM 108 CB HIS A 9 8.678 -7.879 3.861 1.00 62.21 C ATOM 109 CG HIS A 9 8.336 -8.226 5.284 1.00 64.54 C ATOM 110 ND1 HIS A 9 7.468 -7.651 6.149 1.00 30.31 N flip ATOM 111 CD2 HIS A 9 8.901 -9.276 5.967 1.00 43.34 C flip ATOM 112 CE1 HIS A 9 7.529 -8.357 7.319 1.00 4.11 C flip ATOM 113 NE2 HIS A 9 8.399 -9.331 7.181 1.00 62.42 N flip ATOM 0 H HIS A 9 9.160 -10.240 2.417 1.00 42.13 H new ATOM 0 HA HIS A 9 6.837 -8.597 3.152 1.00 22.22 H new ATOM 0 HB2 HIS A 9 9.741 -8.055 3.697 1.00 62.21 H new ATOM 0 HB3 HIS A 9 8.503 -6.815 3.702 1.00 62.21 H new ATOM 0 HD1 HIS A 9 6.877 -6.841 5.963 1.00 30.31 H new ATOM 0 HD2 HIS A 9 9.643 -9.952 5.568 1.00 43.34 H new ATOM 0 HE1 HIS A 9 6.956 -8.148 8.210 1.00 4.11 H new ATOM 122 N ASN A 10 7.099 -7.250 1.161 1.00 70.14 N ATOM 123 CA ASN A 10 7.020 -6.574 -0.110 1.00 41.21 C ATOM 124 C ASN A 10 6.916 -5.122 0.195 1.00 22.33 C ATOM 125 O ASN A 10 6.035 -4.716 0.944 1.00 10.33 O ATOM 126 CB ASN A 10 5.760 -6.993 -0.900 1.00 64.45 C ATOM 127 CG ASN A 10 5.777 -8.372 -1.570 1.00 0.33 C ATOM 128 OD1 ASN A 10 5.102 -8.571 -2.585 1.00 50.43 O ATOM 129 ND2 ASN A 10 6.532 -9.306 -1.052 1.00 70.31 N ATOM 0 H ASN A 10 6.360 -6.974 1.808 1.00 70.14 H new ATOM 0 HA ASN A 10 7.893 -6.822 -0.714 1.00 41.21 H new ATOM 0 HB2 ASN A 10 4.909 -6.959 -0.220 1.00 64.45 H new ATOM 0 HB3 ASN A 10 5.582 -6.245 -1.672 1.00 64.45 H new ATOM 0 HD21 ASN A 10 6.574 -10.228 -1.487 1.00 70.31 H new ATOM 0 HD22 ASN A 10 7.079 -9.113 -0.213 1.00 70.31 H new ATOM 136 N VAL A 11 7.795 -4.342 -0.325 1.00 11.02 N ATOM 137 CA VAL A 11 7.767 -2.934 -0.027 1.00 52.52 C ATOM 138 C VAL A 11 7.381 -2.156 -1.286 1.00 72.23 C ATOM 139 O VAL A 11 8.064 -2.246 -2.294 1.00 4.00 O ATOM 140 CB VAL A 11 9.159 -2.443 0.477 1.00 23.43 C ATOM 141 CG1 VAL A 11 9.083 -1.013 0.992 1.00 34.42 C ATOM 142 CG2 VAL A 11 9.735 -3.377 1.545 1.00 64.23 C ATOM 0 H VAL A 11 8.540 -4.640 -0.954 1.00 11.02 H new ATOM 0 HA VAL A 11 7.033 -2.762 0.760 1.00 52.52 H new ATOM 0 HB VAL A 11 9.837 -2.461 -0.376 1.00 23.43 H new ATOM 0 HG11 VAL A 11 10.068 -0.698 1.337 1.00 34.42 H new ATOM 0 HG12 VAL A 11 8.751 -0.354 0.189 1.00 34.42 H new ATOM 0 HG13 VAL A 11 8.375 -0.961 1.819 1.00 34.42 H new ATOM 0 HG21 VAL A 11 10.705 -3.002 1.871 1.00 64.23 H new ATOM 0 HG22 VAL A 11 9.056 -3.418 2.397 1.00 64.23 H new ATOM 0 HG23 VAL A 11 9.854 -4.377 1.128 1.00 64.23 H new ATOM 152 N PHE A 12 6.294 -1.422 -1.224 1.00 14.00 N ATOM 153 CA PHE A 12 5.862 -0.589 -2.333 1.00 3.45 C ATOM 154 C PHE A 12 6.632 0.706 -2.295 1.00 74.11 C ATOM 155 O PHE A 12 6.481 1.497 -1.353 1.00 2.33 O ATOM 156 CB PHE A 12 4.339 -0.291 -2.266 1.00 53.31 C ATOM 157 CG PHE A 12 3.823 0.608 -3.379 1.00 72.23 C ATOM 158 CD1 PHE A 12 3.890 1.990 -3.258 1.00 73.44 C ATOM 159 CD2 PHE A 12 3.279 0.075 -4.546 1.00 32.45 C ATOM 160 CE1 PHE A 12 3.440 2.811 -4.265 1.00 65.20 C ATOM 161 CE2 PHE A 12 2.826 0.899 -5.549 1.00 4.23 C ATOM 162 CZ PHE A 12 2.909 2.264 -5.411 1.00 0.20 C ATOM 0 H PHE A 12 5.683 -1.382 -0.408 1.00 14.00 H new ATOM 0 HA PHE A 12 6.055 -1.123 -3.263 1.00 3.45 H new ATOM 0 HB2 PHE A 12 3.795 -1.235 -2.297 1.00 53.31 H new ATOM 0 HB3 PHE A 12 4.115 0.175 -1.306 1.00 53.31 H new ATOM 0 HD1 PHE A 12 4.302 2.426 -2.360 1.00 73.44 H new ATOM 0 HD2 PHE A 12 3.213 -0.997 -4.664 1.00 32.45 H new ATOM 0 HE1 PHE A 12 3.503 3.884 -4.157 1.00 65.20 H new ATOM 0 HE2 PHE A 12 2.404 0.473 -6.447 1.00 4.23 H new ATOM 0 HZ PHE A 12 2.557 2.908 -6.203 1.00 0.20 H new ATOM 172 N VAL A 13 7.452 0.920 -3.283 1.00 41.41 N ATOM 173 CA VAL A 13 8.221 2.133 -3.371 1.00 4.11 C ATOM 174 C VAL A 13 8.175 2.675 -4.773 1.00 1.43 C ATOM 175 O VAL A 13 7.876 1.949 -5.738 1.00 34.25 O ATOM 176 CB VAL A 13 9.716 1.948 -2.958 1.00 25.40 C ATOM 177 CG1 VAL A 13 9.844 1.557 -1.499 1.00 72.22 C ATOM 178 CG2 VAL A 13 10.398 0.920 -3.846 1.00 32.33 C ATOM 0 H VAL A 13 7.608 0.264 -4.048 1.00 41.41 H new ATOM 0 HA VAL A 13 7.766 2.830 -2.667 1.00 4.11 H new ATOM 0 HB VAL A 13 10.215 2.908 -3.092 1.00 25.40 H new ATOM 0 HG11 VAL A 13 10.897 1.437 -1.246 1.00 72.22 H new ATOM 0 HG12 VAL A 13 9.407 2.336 -0.874 1.00 72.22 H new ATOM 0 HG13 VAL A 13 9.320 0.617 -1.327 1.00 72.22 H new ATOM 0 HG21 VAL A 13 11.438 0.808 -3.540 1.00 32.33 H new ATOM 0 HG22 VAL A 13 9.887 -0.038 -3.752 1.00 32.33 H new ATOM 0 HG23 VAL A 13 10.359 1.252 -4.883 1.00 32.33 H new ATOM 188 N TYR A 14 8.455 3.931 -4.893 1.00 24.44 N ATOM 189 CA TYR A 14 8.542 4.559 -6.161 1.00 42.23 C ATOM 190 C TYR A 14 9.569 5.649 -6.015 1.00 71.41 C ATOM 191 O TYR A 14 9.355 6.630 -5.297 1.00 23.22 O ATOM 192 CB TYR A 14 7.176 5.107 -6.605 1.00 65.34 C ATOM 193 CG TYR A 14 7.090 5.383 -8.091 1.00 61.23 C ATOM 194 CD1 TYR A 14 7.198 4.337 -8.991 1.00 40.11 C ATOM 195 CD2 TYR A 14 6.879 6.655 -8.595 1.00 61.24 C ATOM 196 CE1 TYR A 14 7.106 4.536 -10.345 1.00 11.14 C ATOM 197 CE2 TYR A 14 6.787 6.871 -9.964 1.00 64.15 C ATOM 198 CZ TYR A 14 6.903 5.797 -10.833 1.00 12.15 C ATOM 199 OH TYR A 14 6.801 5.989 -12.201 1.00 22.53 O ATOM 0 H TYR A 14 8.631 4.552 -4.103 1.00 24.44 H new ATOM 0 HA TYR A 14 8.838 3.854 -6.938 1.00 42.23 H new ATOM 0 HB2 TYR A 14 6.400 4.392 -6.331 1.00 65.34 H new ATOM 0 HB3 TYR A 14 6.968 6.028 -6.060 1.00 65.34 H new ATOM 0 HD1 TYR A 14 7.359 3.337 -8.617 1.00 40.11 H new ATOM 0 HD2 TYR A 14 6.785 7.489 -7.916 1.00 61.24 H new ATOM 0 HE1 TYR A 14 7.194 3.700 -11.023 1.00 11.14 H new ATOM 0 HE2 TYR A 14 6.626 7.867 -10.348 1.00 64.15 H new ATOM 0 HH TYR A 14 6.657 6.940 -12.388 1.00 22.53 H new ATOM 209 N GLY A 15 10.687 5.452 -6.631 1.00 4.10 N ATOM 210 CA GLY A 15 11.782 6.345 -6.472 1.00 13.03 C ATOM 211 C GLY A 15 13.052 5.715 -6.946 1.00 43.53 C ATOM 212 O GLY A 15 13.369 5.802 -8.112 1.00 71.12 O ATOM 0 H GLY A 15 10.866 4.668 -7.258 1.00 4.10 H new ATOM 0 HA2 GLY A 15 11.594 7.261 -7.031 1.00 13.03 H new ATOM 0 HA3 GLY A 15 11.879 6.626 -5.423 1.00 13.03 H new ATOM 216 N SER A 16 13.794 5.065 -6.056 1.00 30.01 N ATOM 217 CA SER A 16 15.029 4.417 -6.472 1.00 51.35 C ATOM 218 C SER A 16 15.393 3.163 -5.650 1.00 3.34 C ATOM 219 O SER A 16 16.149 3.239 -4.700 1.00 2.52 O ATOM 220 CB SER A 16 16.204 5.417 -6.552 1.00 61.32 C ATOM 221 OG SER A 16 15.910 6.469 -7.484 1.00 74.13 O ATOM 0 H SER A 16 13.568 4.974 -5.065 1.00 30.01 H new ATOM 0 HA SER A 16 14.835 4.049 -7.480 1.00 51.35 H new ATOM 0 HB2 SER A 16 16.396 5.840 -5.566 1.00 61.32 H new ATOM 0 HB3 SER A 16 17.112 4.896 -6.857 1.00 61.32 H new ATOM 0 HG SER A 16 15.024 6.320 -7.876 1.00 74.13 H new ATOM 227 N ILE A 17 14.721 2.056 -5.985 1.00 43.41 N ATOM 228 CA ILE A 17 15.020 0.656 -5.546 1.00 32.22 C ATOM 229 C ILE A 17 14.406 -0.243 -6.651 1.00 75.33 C ATOM 230 O ILE A 17 14.352 -1.468 -6.574 1.00 1.23 O ATOM 231 CB ILE A 17 14.351 0.251 -4.170 1.00 13.11 C ATOM 232 CG1 ILE A 17 14.717 1.199 -3.051 1.00 32.35 C ATOM 233 CG2 ILE A 17 14.870 -1.129 -3.765 1.00 14.41 C ATOM 234 CD1 ILE A 17 13.901 1.035 -1.792 1.00 70.01 C ATOM 0 H ILE A 17 13.909 2.096 -6.601 1.00 43.41 H new ATOM 0 HA ILE A 17 16.095 0.551 -5.402 1.00 32.22 H new ATOM 0 HB ILE A 17 13.271 0.272 -4.316 1.00 13.11 H new ATOM 0 HG12 ILE A 17 15.770 1.060 -2.806 1.00 32.35 H new ATOM 0 HG13 ILE A 17 14.605 2.222 -3.409 1.00 32.35 H new ATOM 0 HG21 ILE A 17 14.419 -1.424 -2.818 1.00 14.41 H new ATOM 0 HG22 ILE A 17 14.608 -1.856 -4.534 1.00 14.41 H new ATOM 0 HG23 ILE A 17 15.954 -1.092 -3.655 1.00 14.41 H new ATOM 0 HD11 ILE A 17 14.234 1.756 -1.046 1.00 70.01 H new ATOM 0 HD12 ILE A 17 12.848 1.205 -2.016 1.00 70.01 H new ATOM 0 HD13 ILE A 17 14.031 0.025 -1.403 1.00 70.01 H new ATOM 246 N LEU A 18 13.981 0.414 -7.714 1.00 3.01 N ATOM 247 CA LEU A 18 13.262 -0.221 -8.800 1.00 0.15 C ATOM 248 C LEU A 18 14.226 -0.662 -9.851 1.00 22.22 C ATOM 249 O LEU A 18 13.902 -1.466 -10.726 1.00 45.25 O ATOM 250 CB LEU A 18 12.200 0.723 -9.391 1.00 52.00 C ATOM 251 CG LEU A 18 10.974 1.038 -8.503 1.00 41.25 C ATOM 252 CD1 LEU A 18 11.309 1.910 -7.303 1.00 10.45 C ATOM 253 CD2 LEU A 18 9.837 1.619 -9.324 1.00 42.42 C ATOM 0 H LEU A 18 14.127 1.414 -7.848 1.00 3.01 H new ATOM 0 HA LEU A 18 12.740 -1.094 -8.409 1.00 0.15 H new ATOM 0 HB2 LEU A 18 12.686 1.665 -9.645 1.00 52.00 H new ATOM 0 HB3 LEU A 18 11.841 0.288 -10.324 1.00 52.00 H new ATOM 0 HG LEU A 18 10.640 0.086 -8.090 1.00 41.25 H new ATOM 0 HD11 LEU A 18 10.405 2.093 -6.722 1.00 10.45 H new ATOM 0 HD12 LEU A 18 12.045 1.403 -6.679 1.00 10.45 H new ATOM 0 HD13 LEU A 18 11.718 2.860 -7.647 1.00 10.45 H new ATOM 0 HD21 LEU A 18 8.989 1.830 -8.673 1.00 42.42 H new ATOM 0 HD22 LEU A 18 10.167 2.542 -9.801 1.00 42.42 H new ATOM 0 HD23 LEU A 18 9.537 0.902 -10.089 1.00 42.42 H new ATOM 265 N GLU A 19 15.391 -0.111 -9.779 1.00 3.20 N ATOM 266 CA GLU A 19 16.469 -0.506 -10.586 1.00 20.42 C ATOM 267 C GLU A 19 17.292 -1.543 -9.827 1.00 13.32 C ATOM 268 O GLU A 19 17.623 -1.340 -8.638 1.00 1.22 O ATOM 269 CB GLU A 19 17.345 0.698 -11.037 1.00 45.41 C ATOM 270 CG GLU A 19 17.811 1.655 -9.930 1.00 32.33 C ATOM 271 CD GLU A 19 16.718 2.588 -9.429 1.00 40.15 C ATOM 272 OE1 GLU A 19 15.908 2.189 -8.586 1.00 15.12 O ATOM 273 OE2 GLU A 19 16.662 3.737 -9.900 1.00 5.03 O ATOM 0 H GLU A 19 15.614 0.648 -9.135 1.00 3.20 H new ATOM 0 HA GLU A 19 16.077 -0.946 -11.503 1.00 20.42 H new ATOM 0 HB2 GLU A 19 18.227 0.308 -11.545 1.00 45.41 H new ATOM 0 HB3 GLU A 19 16.782 1.274 -11.772 1.00 45.41 H new ATOM 0 HG2 GLU A 19 18.190 1.070 -9.092 1.00 32.33 H new ATOM 0 HG3 GLU A 19 18.643 2.252 -10.304 1.00 32.33 H new ATOM 280 N PRO A 20 17.583 -2.689 -10.481 1.00 34.12 N ATOM 281 CA PRO A 20 18.379 -3.785 -9.909 1.00 73.12 C ATOM 282 C PRO A 20 19.632 -3.299 -9.187 1.00 32.11 C ATOM 283 O PRO A 20 19.995 -3.838 -8.151 1.00 12.43 O ATOM 284 CB PRO A 20 18.773 -4.598 -11.137 1.00 43.34 C ATOM 285 CG PRO A 20 17.633 -4.421 -12.070 1.00 42.11 C ATOM 286 CD PRO A 20 17.114 -3.024 -11.840 1.00 0.43 C ATOM 0 HA PRO A 20 17.817 -4.339 -9.157 1.00 73.12 H new ATOM 0 HB2 PRO A 20 19.704 -4.236 -11.573 1.00 43.34 H new ATOM 0 HB3 PRO A 20 18.925 -5.648 -10.888 1.00 43.34 H new ATOM 0 HG2 PRO A 20 17.952 -4.552 -13.104 1.00 42.11 H new ATOM 0 HG3 PRO A 20 16.856 -5.161 -11.880 1.00 42.11 H new ATOM 0 HD2 PRO A 20 17.505 -2.326 -12.581 1.00 0.43 H new ATOM 0 HD3 PRO A 20 16.027 -2.986 -11.908 1.00 0.43 H new ATOM 294 N ALA A 21 20.257 -2.256 -9.732 1.00 14.15 N ATOM 295 CA ALA A 21 21.473 -1.683 -9.173 1.00 23.23 C ATOM 296 C ALA A 21 21.295 -1.277 -7.711 1.00 11.21 C ATOM 297 O ALA A 21 22.137 -1.585 -6.877 1.00 73.42 O ATOM 298 CB ALA A 21 21.911 -0.483 -9.989 1.00 40.24 C ATOM 0 H ALA A 21 19.930 -1.786 -10.576 1.00 14.15 H new ATOM 0 HA ALA A 21 22.243 -2.454 -9.213 1.00 23.23 H new ATOM 0 HB1 ALA A 21 22.821 -0.064 -9.560 1.00 40.24 H new ATOM 0 HB2 ALA A 21 22.103 -0.792 -11.017 1.00 40.24 H new ATOM 0 HB3 ALA A 21 21.124 0.271 -9.978 1.00 40.24 H new ATOM 304 N VAL A 22 20.201 -0.609 -7.406 1.00 22.12 N ATOM 305 CA VAL A 22 19.944 -0.145 -6.052 1.00 44.55 C ATOM 306 C VAL A 22 19.468 -1.283 -5.153 1.00 12.23 C ATOM 307 O VAL A 22 19.945 -1.432 -4.028 1.00 22.11 O ATOM 308 CB VAL A 22 18.938 1.035 -6.005 1.00 40.31 C ATOM 309 CG1 VAL A 22 18.647 1.433 -4.560 1.00 33.24 C ATOM 310 CG2 VAL A 22 19.492 2.231 -6.771 1.00 51.04 C ATOM 0 H VAL A 22 19.471 -0.373 -8.078 1.00 22.12 H new ATOM 0 HA VAL A 22 20.897 0.225 -5.673 1.00 44.55 H new ATOM 0 HB VAL A 22 18.008 0.713 -6.473 1.00 40.31 H new ATOM 0 HG11 VAL A 22 17.940 2.262 -4.546 1.00 33.24 H new ATOM 0 HG12 VAL A 22 18.220 0.583 -4.027 1.00 33.24 H new ATOM 0 HG13 VAL A 22 19.573 1.738 -4.073 1.00 33.24 H new ATOM 0 HG21 VAL A 22 18.776 3.052 -6.730 1.00 51.04 H new ATOM 0 HG22 VAL A 22 20.433 2.547 -6.321 1.00 51.04 H new ATOM 0 HG23 VAL A 22 19.663 1.950 -7.810 1.00 51.04 H new ATOM 320 N ALA A 23 18.556 -2.103 -5.650 1.00 63.21 N ATOM 321 CA ALA A 23 18.036 -3.211 -4.842 1.00 62.41 C ATOM 322 C ALA A 23 19.156 -4.193 -4.485 1.00 32.51 C ATOM 323 O ALA A 23 19.144 -4.808 -3.420 1.00 30.20 O ATOM 324 CB ALA A 23 16.902 -3.925 -5.564 1.00 74.33 C ATOM 0 H ALA A 23 18.163 -2.032 -6.588 1.00 63.21 H new ATOM 0 HA ALA A 23 17.638 -2.796 -3.916 1.00 62.41 H new ATOM 0 HB1 ALA A 23 16.534 -4.742 -4.944 1.00 74.33 H new ATOM 0 HB2 ALA A 23 16.092 -3.221 -5.755 1.00 74.33 H new ATOM 0 HB3 ALA A 23 17.267 -4.324 -6.511 1.00 74.33 H new ATOM 330 N ALA A 24 20.132 -4.307 -5.369 1.00 60.11 N ATOM 331 CA ALA A 24 21.268 -5.170 -5.138 1.00 10.14 C ATOM 332 C ALA A 24 22.161 -4.622 -4.043 1.00 22.01 C ATOM 333 O ALA A 24 22.627 -5.368 -3.200 1.00 74.35 O ATOM 334 CB ALA A 24 22.068 -5.370 -6.409 1.00 34.41 C ATOM 0 H ALA A 24 20.156 -3.807 -6.258 1.00 60.11 H new ATOM 0 HA ALA A 24 20.881 -6.136 -4.815 1.00 10.14 H new ATOM 0 HB1 ALA A 24 22.917 -6.023 -6.206 1.00 34.41 H new ATOM 0 HB2 ALA A 24 21.434 -5.825 -7.170 1.00 34.41 H new ATOM 0 HB3 ALA A 24 22.430 -4.406 -6.767 1.00 34.41 H new ATOM 340 N VAL A 25 22.374 -3.310 -4.028 1.00 1.03 N ATOM 341 CA VAL A 25 23.283 -2.723 -3.049 1.00 51.42 C ATOM 342 C VAL A 25 22.694 -2.756 -1.642 1.00 71.45 C ATOM 343 O VAL A 25 23.421 -2.891 -0.662 1.00 54.01 O ATOM 344 CB VAL A 25 23.758 -1.272 -3.406 1.00 74.23 C ATOM 345 CG1 VAL A 25 24.380 -1.221 -4.783 1.00 52.25 C ATOM 346 CG2 VAL A 25 22.649 -0.249 -3.273 1.00 61.02 C ATOM 0 H VAL A 25 21.940 -2.645 -4.668 1.00 1.03 H new ATOM 0 HA VAL A 25 24.171 -3.354 -3.079 1.00 51.42 H new ATOM 0 HB VAL A 25 24.523 -1.007 -2.676 1.00 74.23 H new ATOM 0 HG11 VAL A 25 24.699 -0.202 -5.001 1.00 52.25 H new ATOM 0 HG12 VAL A 25 25.243 -1.886 -4.817 1.00 52.25 H new ATOM 0 HG13 VAL A 25 23.647 -1.538 -5.525 1.00 52.25 H new ATOM 0 HG21 VAL A 25 23.032 0.738 -3.532 1.00 61.02 H new ATOM 0 HG22 VAL A 25 21.832 -0.509 -3.946 1.00 61.02 H new ATOM 0 HG23 VAL A 25 22.284 -0.239 -2.246 1.00 61.02 H new ATOM 356 N ILE A 26 21.375 -2.667 -1.542 1.00 23.02 N ATOM 357 CA ILE A 26 20.738 -2.667 -0.253 1.00 21.54 C ATOM 358 C ILE A 26 20.650 -4.075 0.348 1.00 42.31 C ATOM 359 O ILE A 26 20.872 -4.275 1.541 1.00 12.11 O ATOM 360 CB ILE A 26 19.339 -1.947 -0.272 1.00 25.24 C ATOM 361 CG1 ILE A 26 18.709 -1.954 1.120 1.00 24.30 C ATOM 362 CG2 ILE A 26 18.407 -2.556 -1.302 1.00 23.40 C ATOM 363 CD1 ILE A 26 17.818 -0.801 1.353 1.00 70.41 C ATOM 0 H ILE A 26 20.739 -2.595 -2.336 1.00 23.02 H new ATOM 0 HA ILE A 26 21.379 -2.080 0.405 1.00 21.54 H new ATOM 0 HB ILE A 26 19.504 -0.910 -0.565 1.00 25.24 H new ATOM 0 HG12 ILE A 26 18.143 -2.876 1.253 1.00 24.30 H new ATOM 0 HG13 ILE A 26 19.499 -1.954 1.871 1.00 24.30 H new ATOM 0 HG21 ILE A 26 17.452 -2.031 -1.284 1.00 23.40 H new ATOM 0 HG22 ILE A 26 18.852 -2.466 -2.293 1.00 23.40 H new ATOM 0 HG23 ILE A 26 18.247 -3.609 -1.070 1.00 23.40 H new ATOM 0 HD11 ILE A 26 17.401 -0.861 2.358 1.00 70.41 H new ATOM 0 HD12 ILE A 26 18.386 0.124 1.250 1.00 70.41 H new ATOM 0 HD13 ILE A 26 17.009 -0.813 0.623 1.00 70.41 H new ATOM 375 N LEU A 27 20.387 -5.046 -0.470 1.00 62.15 N ATOM 376 CA LEU A 27 20.198 -6.388 0.023 1.00 3.24 C ATOM 377 C LEU A 27 21.411 -7.279 -0.141 1.00 54.44 C ATOM 378 O LEU A 27 21.439 -8.376 0.418 1.00 21.14 O ATOM 379 CB LEU A 27 18.987 -7.010 -0.640 1.00 34.03 C ATOM 380 CG LEU A 27 17.657 -6.356 -0.312 1.00 41.10 C ATOM 381 CD1 LEU A 27 16.563 -6.993 -1.106 1.00 45.32 C ATOM 382 CD2 LEU A 27 17.366 -6.461 1.164 1.00 53.51 C ATOM 0 H LEU A 27 20.297 -4.942 -1.481 1.00 62.15 H new ATOM 0 HA LEU A 27 20.038 -6.305 1.098 1.00 3.24 H new ATOM 0 HB2 LEU A 27 19.130 -6.981 -1.720 1.00 34.03 H new ATOM 0 HB3 LEU A 27 18.936 -8.060 -0.353 1.00 34.03 H new ATOM 0 HG LEU A 27 17.713 -5.300 -0.576 1.00 41.10 H new ATOM 0 HD11 LEU A 27 15.613 -6.517 -0.864 1.00 45.32 H new ATOM 0 HD12 LEU A 27 16.768 -6.873 -2.170 1.00 45.32 H new ATOM 0 HD13 LEU A 27 16.509 -8.055 -0.865 1.00 45.32 H new ATOM 0 HD21 LEU A 27 16.409 -5.987 1.381 1.00 53.51 H new ATOM 0 HD22 LEU A 27 17.324 -7.511 1.453 1.00 53.51 H new ATOM 0 HD23 LEU A 27 18.154 -5.961 1.727 1.00 53.51 H new ATOM 394 N ASP A 28 22.409 -6.816 -0.900 1.00 34.34 N ATOM 395 CA ASP A 28 23.617 -7.624 -1.247 1.00 31.31 C ATOM 396 C ASP A 28 23.219 -8.753 -2.163 1.00 65.41 C ATOM 397 O ASP A 28 23.952 -9.729 -2.356 1.00 14.22 O ATOM 398 CB ASP A 28 24.388 -8.160 -0.012 1.00 13.33 C ATOM 399 CG ASP A 28 25.074 -7.082 0.782 1.00 24.11 C ATOM 400 OD1 ASP A 28 26.134 -6.597 0.341 1.00 63.42 O ATOM 401 OD2 ASP A 28 24.582 -6.713 1.877 1.00 71.04 O ATOM 0 H ASP A 28 22.417 -5.877 -1.297 1.00 34.34 H new ATOM 0 HA ASP A 28 24.312 -6.955 -1.755 1.00 31.31 H new ATOM 0 HB2 ASP A 28 23.693 -8.692 0.638 1.00 13.33 H new ATOM 0 HB3 ASP A 28 25.132 -8.884 -0.344 1.00 13.33 H new ATOM 406 N ARG A 29 22.072 -8.574 -2.761 1.00 32.52 N ATOM 407 CA ARG A 29 21.463 -9.497 -3.663 1.00 21.11 C ATOM 408 C ARG A 29 20.429 -8.698 -4.413 1.00 61.40 C ATOM 409 O ARG A 29 19.806 -7.812 -3.826 1.00 40.15 O ATOM 410 CB ARG A 29 20.764 -10.608 -2.872 1.00 42.33 C ATOM 411 CG ARG A 29 20.157 -11.709 -3.725 1.00 73.30 C ATOM 412 CD ARG A 29 19.369 -12.683 -2.868 1.00 61.25 C ATOM 413 NE ARG A 29 20.184 -13.289 -1.806 1.00 22.15 N ATOM 414 CZ ARG A 29 19.685 -13.839 -0.686 1.00 34.03 C ATOM 415 NH1 ARG A 29 18.360 -13.859 -0.475 1.00 40.32 N ATOM 416 NH2 ARG A 29 20.505 -14.364 0.223 1.00 2.25 N ATOM 0 H ARG A 29 21.512 -7.733 -2.620 1.00 32.52 H new ATOM 0 HA ARG A 29 22.194 -9.959 -4.327 1.00 21.11 H new ATOM 0 HB2 ARG A 29 21.483 -11.054 -2.185 1.00 42.33 H new ATOM 0 HB3 ARG A 29 19.977 -10.162 -2.264 1.00 42.33 H new ATOM 0 HG2 ARG A 29 19.504 -11.272 -4.480 1.00 73.30 H new ATOM 0 HG3 ARG A 29 20.947 -12.241 -4.256 1.00 73.30 H new ATOM 0 HD2 ARG A 29 18.522 -12.164 -2.419 1.00 61.25 H new ATOM 0 HD3 ARG A 29 18.961 -13.470 -3.501 1.00 61.25 H new ATOM 0 HE ARG A 29 21.197 -13.292 -1.927 1.00 22.15 H new ATOM 0 HH11 ARG A 29 17.727 -13.456 -1.166 1.00 40.32 H new ATOM 0 HH12 ARG A 29 17.985 -14.277 0.376 1.00 40.32 H new ATOM 0 HH21 ARG A 29 21.513 -14.349 0.069 1.00 2.25 H new ATOM 0 HH22 ARG A 29 20.125 -14.781 1.073 1.00 2.25 H new ATOM 430 N THR A 30 20.256 -8.961 -5.667 1.00 34.02 N ATOM 431 CA THR A 30 19.298 -8.234 -6.440 1.00 12.54 C ATOM 432 C THR A 30 17.874 -8.733 -6.134 1.00 30.42 C ATOM 433 O THR A 30 17.566 -9.918 -6.302 1.00 62.50 O ATOM 434 CB THR A 30 19.609 -8.366 -7.947 1.00 55.32 C ATOM 435 OG1 THR A 30 20.968 -7.932 -8.184 1.00 35.12 O ATOM 436 CG2 THR A 30 18.666 -7.498 -8.770 1.00 13.54 C ATOM 0 H THR A 30 20.768 -9.678 -6.182 1.00 34.02 H new ATOM 0 HA THR A 30 19.359 -7.180 -6.169 1.00 12.54 H new ATOM 0 HB THR A 30 19.479 -9.407 -8.243 1.00 55.32 H new ATOM 0 HG1 THR A 30 21.176 -8.014 -9.138 1.00 35.12 H new ATOM 0 HG21 THR A 30 18.903 -7.606 -9.828 1.00 13.54 H new ATOM 0 HG22 THR A 30 17.637 -7.811 -8.594 1.00 13.54 H new ATOM 0 HG23 THR A 30 18.783 -6.455 -8.477 1.00 13.54 H new ATOM 444 N ALA A 31 17.035 -7.838 -5.635 1.00 54.23 N ATOM 445 CA ALA A 31 15.646 -8.159 -5.371 1.00 53.52 C ATOM 446 C ALA A 31 14.817 -7.843 -6.579 1.00 72.41 C ATOM 447 O ALA A 31 15.171 -6.961 -7.371 1.00 5.31 O ATOM 448 CB ALA A 31 15.120 -7.392 -4.179 1.00 55.32 C ATOM 0 H ALA A 31 17.297 -6.879 -5.405 1.00 54.23 H new ATOM 0 HA ALA A 31 15.581 -9.223 -5.145 1.00 53.52 H new ATOM 0 HB1 ALA A 31 14.076 -7.656 -4.008 1.00 55.32 H new ATOM 0 HB2 ALA A 31 15.707 -7.644 -3.296 1.00 55.32 H new ATOM 0 HB3 ALA A 31 15.197 -6.322 -4.372 1.00 55.32 H new ATOM 454 N ASP A 32 13.729 -8.541 -6.722 1.00 0.03 N ATOM 455 CA ASP A 32 12.855 -8.359 -7.850 1.00 41.35 C ATOM 456 C ASP A 32 11.716 -7.454 -7.488 1.00 22.53 C ATOM 457 O ASP A 32 11.007 -7.681 -6.485 1.00 5.31 O ATOM 458 CB ASP A 32 12.328 -9.708 -8.368 1.00 72.02 C ATOM 459 CG ASP A 32 11.368 -9.579 -9.548 1.00 3.25 C ATOM 460 OD1 ASP A 32 11.828 -9.492 -10.709 1.00 4.33 O ATOM 461 OD2 ASP A 32 10.146 -9.588 -9.334 1.00 0.23 O ATOM 0 H ASP A 32 13.420 -9.254 -6.061 1.00 0.03 H new ATOM 0 HA ASP A 32 13.430 -7.894 -8.651 1.00 41.35 H new ATOM 0 HB2 ASP A 32 13.173 -10.329 -8.665 1.00 72.02 H new ATOM 0 HB3 ASP A 32 11.822 -10.227 -7.554 1.00 72.02 H new ATOM 466 N THR A 33 11.557 -6.421 -8.250 1.00 31.33 N ATOM 467 CA THR A 33 10.465 -5.542 -8.075 1.00 14.43 C ATOM 468 C THR A 33 9.397 -5.859 -9.088 1.00 32.03 C ATOM 469 O THR A 33 9.698 -6.176 -10.238 1.00 50.04 O ATOM 470 CB THR A 33 10.894 -4.066 -8.212 1.00 53.44 C ATOM 471 OG1 THR A 33 11.812 -3.885 -9.305 1.00 2.23 O ATOM 472 CG2 THR A 33 11.444 -3.492 -6.932 1.00 42.41 C ATOM 0 H THR A 33 12.187 -6.169 -9.012 1.00 31.33 H new ATOM 0 HA THR A 33 10.076 -5.683 -7.067 1.00 14.43 H new ATOM 0 HB THR A 33 9.987 -3.504 -8.435 1.00 53.44 H new ATOM 0 HG1 THR A 33 12.413 -3.137 -9.107 1.00 2.23 H new ATOM 0 HG21 THR A 33 11.728 -2.452 -7.092 1.00 42.41 H new ATOM 0 HG22 THR A 33 10.683 -3.545 -6.153 1.00 42.41 H new ATOM 0 HG23 THR A 33 12.319 -4.064 -6.623 1.00 42.41 H new ATOM 480 N VAL A 34 8.166 -5.760 -8.692 1.00 61.01 N ATOM 481 CA VAL A 34 7.082 -6.035 -9.594 1.00 11.12 C ATOM 482 C VAL A 34 6.198 -4.816 -9.620 1.00 52.23 C ATOM 483 O VAL A 34 5.915 -4.247 -8.555 1.00 22.22 O ATOM 484 CB VAL A 34 6.224 -7.253 -9.105 1.00 5.51 C ATOM 485 CG1 VAL A 34 5.170 -7.635 -10.134 1.00 51.40 C ATOM 486 CG2 VAL A 34 7.085 -8.454 -8.757 1.00 45.34 C ATOM 0 H VAL A 34 7.883 -5.491 -7.750 1.00 61.01 H new ATOM 0 HA VAL A 34 7.487 -6.274 -10.577 1.00 11.12 H new ATOM 0 HB VAL A 34 5.718 -6.934 -8.194 1.00 5.51 H new ATOM 0 HG11 VAL A 34 4.592 -8.482 -9.765 1.00 51.40 H new ATOM 0 HG12 VAL A 34 4.505 -6.789 -10.305 1.00 51.40 H new ATOM 0 HG13 VAL A 34 5.657 -7.908 -11.070 1.00 51.40 H new ATOM 0 HG21 VAL A 34 6.449 -9.274 -8.423 1.00 45.34 H new ATOM 0 HG22 VAL A 34 7.647 -8.766 -9.637 1.00 45.34 H new ATOM 0 HG23 VAL A 34 7.779 -8.186 -7.960 1.00 45.34 H new ATOM 496 N PRO A 35 5.772 -4.365 -10.812 1.00 44.32 N ATOM 497 CA PRO A 35 4.879 -3.233 -10.927 1.00 3.13 C ATOM 498 C PRO A 35 3.562 -3.503 -10.252 1.00 32.02 C ATOM 499 O PRO A 35 2.950 -4.574 -10.432 1.00 62.03 O ATOM 500 CB PRO A 35 4.721 -2.991 -12.431 1.00 5.22 C ATOM 501 CG PRO A 35 5.283 -4.193 -13.109 1.00 21.34 C ATOM 502 CD PRO A 35 6.165 -4.908 -12.122 1.00 5.31 C ATOM 0 HA PRO A 35 5.276 -2.349 -10.428 1.00 3.13 H new ATOM 0 HB2 PRO A 35 3.673 -2.851 -12.694 1.00 5.22 H new ATOM 0 HB3 PRO A 35 5.250 -2.089 -12.737 1.00 5.22 H new ATOM 0 HG2 PRO A 35 4.482 -4.849 -13.450 1.00 21.34 H new ATOM 0 HG3 PRO A 35 5.854 -3.902 -13.991 1.00 21.34 H new ATOM 0 HD2 PRO A 35 6.015 -5.987 -12.165 1.00 5.31 H new ATOM 0 HD3 PRO A 35 7.220 -4.724 -12.327 1.00 5.31 H new ATOM 510 N ALA A 36 3.165 -2.569 -9.438 1.00 12.23 N ATOM 511 CA ALA A 36 1.967 -2.649 -8.677 1.00 73.04 C ATOM 512 C ALA A 36 1.418 -1.275 -8.452 1.00 74.41 C ATOM 513 O ALA A 36 2.158 -0.299 -8.483 1.00 54.44 O ATOM 514 CB ALA A 36 2.224 -3.335 -7.356 1.00 12.23 C ATOM 0 H ALA A 36 3.687 -1.706 -9.286 1.00 12.23 H new ATOM 0 HA ALA A 36 1.236 -3.238 -9.231 1.00 73.04 H new ATOM 0 HB1 ALA A 36 1.296 -3.387 -6.787 1.00 12.23 H new ATOM 0 HB2 ALA A 36 2.597 -4.343 -7.536 1.00 12.23 H new ATOM 0 HB3 ALA A 36 2.965 -2.770 -6.791 1.00 12.23 H new ATOM 520 N VAL A 37 0.147 -1.187 -8.214 1.00 11.41 N ATOM 521 CA VAL A 37 -0.456 0.084 -8.005 1.00 13.22 C ATOM 522 C VAL A 37 -1.141 0.163 -6.640 1.00 64.32 C ATOM 523 O VAL A 37 -1.953 -0.704 -6.265 1.00 13.14 O ATOM 524 CB VAL A 37 -1.422 0.480 -9.162 1.00 61.23 C ATOM 525 CG1 VAL A 37 -2.588 -0.487 -9.291 1.00 24.23 C ATOM 526 CG2 VAL A 37 -1.911 1.899 -8.999 1.00 34.42 C ATOM 0 H VAL A 37 -0.490 -1.982 -8.160 1.00 11.41 H new ATOM 0 HA VAL A 37 0.349 0.819 -8.009 1.00 13.22 H new ATOM 0 HB VAL A 37 -0.852 0.420 -10.089 1.00 61.23 H new ATOM 0 HG11 VAL A 37 -3.234 -0.171 -10.110 1.00 24.23 H new ATOM 0 HG12 VAL A 37 -2.209 -1.489 -9.494 1.00 24.23 H new ATOM 0 HG13 VAL A 37 -3.158 -0.496 -8.362 1.00 24.23 H new ATOM 0 HG21 VAL A 37 -2.583 2.149 -9.820 1.00 34.42 H new ATOM 0 HG22 VAL A 37 -2.443 1.994 -8.053 1.00 34.42 H new ATOM 0 HG23 VAL A 37 -1.060 2.580 -9.007 1.00 34.42 H new ATOM 536 N LEU A 38 -0.792 1.180 -5.901 1.00 21.45 N ATOM 537 CA LEU A 38 -1.343 1.423 -4.613 1.00 22.01 C ATOM 538 C LEU A 38 -2.539 2.321 -4.704 1.00 3.32 C ATOM 539 O LEU A 38 -2.421 3.542 -4.791 1.00 44.12 O ATOM 540 CB LEU A 38 -0.306 2.012 -3.657 1.00 4.22 C ATOM 541 CG LEU A 38 -0.831 2.452 -2.282 1.00 41.14 C ATOM 542 CD1 LEU A 38 -1.619 1.348 -1.599 1.00 24.30 C ATOM 543 CD2 LEU A 38 0.316 2.855 -1.410 1.00 3.55 C ATOM 0 H LEU A 38 -0.102 1.872 -6.191 1.00 21.45 H new ATOM 0 HA LEU A 38 -1.660 0.461 -4.210 1.00 22.01 H new ATOM 0 HB2 LEU A 38 0.480 1.272 -3.504 1.00 4.22 H new ATOM 0 HB3 LEU A 38 0.156 2.873 -4.140 1.00 4.22 H new ATOM 0 HG LEU A 38 -1.501 3.298 -2.438 1.00 41.14 H new ATOM 0 HD11 LEU A 38 -1.973 1.700 -0.630 1.00 24.30 H new ATOM 0 HD12 LEU A 38 -2.473 1.073 -2.219 1.00 24.30 H new ATOM 0 HD13 LEU A 38 -0.978 0.478 -1.458 1.00 24.30 H new ATOM 0 HD21 LEU A 38 -0.060 3.167 -0.435 1.00 3.55 H new ATOM 0 HD22 LEU A 38 0.992 2.010 -1.285 1.00 3.55 H new ATOM 0 HD23 LEU A 38 0.852 3.683 -1.874 1.00 3.55 H new ATOM 555 N HIS A 39 -3.665 1.712 -4.748 1.00 41.22 N ATOM 556 CA HIS A 39 -4.923 2.409 -4.709 1.00 33.34 C ATOM 557 C HIS A 39 -5.158 2.992 -3.314 1.00 45.42 C ATOM 558 O HIS A 39 -5.122 2.266 -2.322 1.00 3.21 O ATOM 559 CB HIS A 39 -6.085 1.470 -5.136 1.00 52.04 C ATOM 560 CG HIS A 39 -6.159 0.153 -4.380 1.00 20.12 C ATOM 561 ND1 HIS A 39 -6.726 0.012 -3.139 1.00 51.34 N ATOM 562 CD2 HIS A 39 -5.716 -1.083 -4.719 1.00 53.23 C ATOM 563 CE1 HIS A 39 -6.628 -1.238 -2.750 1.00 40.53 C ATOM 564 NE2 HIS A 39 -6.023 -1.926 -3.691 1.00 54.02 N ATOM 0 H HIS A 39 -3.754 0.698 -4.813 1.00 41.22 H new ATOM 0 HA HIS A 39 -4.891 3.234 -5.420 1.00 33.34 H new ATOM 0 HB2 HIS A 39 -7.028 2.001 -5.004 1.00 52.04 H new ATOM 0 HB3 HIS A 39 -5.986 1.256 -6.200 1.00 52.04 H new ATOM 0 HD2 HIS A 39 -5.212 -1.351 -5.636 1.00 53.23 H new ATOM 0 HE1 HIS A 39 -6.986 -1.635 -1.811 1.00 40.53 H new ATOM 0 HE2 HIS A 39 -5.817 -2.924 -3.659 1.00 54.02 H new ATOM 573 N GLY A 40 -5.359 4.286 -3.235 1.00 2.32 N ATOM 574 CA GLY A 40 -5.612 4.894 -1.959 1.00 22.11 C ATOM 575 C GLY A 40 -4.603 5.953 -1.577 1.00 73.22 C ATOM 576 O GLY A 40 -4.820 6.700 -0.633 1.00 64.33 O ATOM 0 H GLY A 40 -5.352 4.927 -4.029 1.00 2.32 H new ATOM 0 HA2 GLY A 40 -6.606 5.340 -1.970 1.00 22.11 H new ATOM 0 HA3 GLY A 40 -5.619 4.119 -1.193 1.00 22.11 H new ATOM 580 N TYR A 41 -3.492 6.018 -2.271 1.00 12.14 N ATOM 581 CA TYR A 41 -2.509 7.022 -1.966 1.00 23.45 C ATOM 582 C TYR A 41 -2.161 7.893 -3.144 1.00 2.00 C ATOM 583 O TYR A 41 -2.507 7.589 -4.281 1.00 11.21 O ATOM 584 CB TYR A 41 -1.259 6.422 -1.316 1.00 41.43 C ATOM 585 CG TYR A 41 -1.455 6.066 0.139 1.00 35.25 C ATOM 586 CD1 TYR A 41 -1.951 4.823 0.540 1.00 71.13 C ATOM 587 CD2 TYR A 41 -1.164 6.997 1.115 1.00 73.53 C ATOM 588 CE1 TYR A 41 -2.141 4.536 1.876 1.00 3.23 C ATOM 589 CE2 TYR A 41 -1.355 6.721 2.454 1.00 12.43 C ATOM 590 CZ TYR A 41 -1.845 5.488 2.830 1.00 24.14 C ATOM 591 OH TYR A 41 -2.040 5.203 4.168 1.00 61.03 O ATOM 0 H TYR A 41 -3.250 5.394 -3.041 1.00 12.14 H new ATOM 0 HA TYR A 41 -2.977 7.680 -1.233 1.00 23.45 H new ATOM 0 HB2 TYR A 41 -0.966 5.527 -1.866 1.00 41.43 H new ATOM 0 HB3 TYR A 41 -0.437 7.132 -1.402 1.00 41.43 H new ATOM 0 HD1 TYR A 41 -2.189 4.078 -0.205 1.00 71.13 H new ATOM 0 HD2 TYR A 41 -0.778 7.963 0.825 1.00 73.53 H new ATOM 0 HE1 TYR A 41 -2.520 3.570 2.174 1.00 3.23 H new ATOM 0 HE2 TYR A 41 -1.122 7.465 3.201 1.00 12.43 H new ATOM 0 HH TYR A 41 -1.782 5.979 4.709 1.00 61.03 H new ATOM 601 N HIS A 42 -1.495 8.990 -2.851 1.00 2.22 N ATOM 602 CA HIS A 42 -1.024 9.922 -3.850 1.00 53.13 C ATOM 603 C HIS A 42 0.419 10.260 -3.480 1.00 71.32 C ATOM 604 O HIS A 42 0.695 10.617 -2.328 1.00 51.12 O ATOM 605 CB HIS A 42 -1.902 11.207 -3.833 1.00 30.33 C ATOM 606 CG HIS A 42 -1.662 12.190 -4.967 1.00 2.33 C ATOM 607 ND1 HIS A 42 -2.683 12.723 -5.722 1.00 44.52 N ATOM 608 CD2 HIS A 42 -0.526 12.761 -5.440 1.00 3.13 C ATOM 609 CE1 HIS A 42 -2.195 13.566 -6.603 1.00 72.32 C ATOM 610 NE2 HIS A 42 -0.887 13.613 -6.458 1.00 63.20 N ATOM 0 H HIS A 42 -1.263 9.262 -1.896 1.00 2.22 H new ATOM 0 HA HIS A 42 -1.082 9.496 -4.852 1.00 53.13 H new ATOM 0 HB2 HIS A 42 -2.950 10.908 -3.853 1.00 30.33 H new ATOM 0 HB3 HIS A 42 -1.736 11.725 -2.888 1.00 30.33 H new ATOM 0 HD2 HIS A 42 0.477 12.580 -5.083 1.00 3.13 H new ATOM 0 HE1 HIS A 42 -2.770 14.127 -7.325 1.00 72.32 H new ATOM 0 HE2 HIS A 42 -0.248 14.186 -7.009 1.00 63.20 H new ATOM 619 N ARG A 43 1.322 10.131 -4.421 1.00 33.42 N ATOM 620 CA ARG A 43 2.723 10.397 -4.166 1.00 43.23 C ATOM 621 C ARG A 43 3.088 11.853 -4.367 1.00 52.31 C ATOM 622 O ARG A 43 2.690 12.495 -5.339 1.00 53.45 O ATOM 623 CB ARG A 43 3.657 9.551 -5.060 1.00 31.34 C ATOM 624 CG ARG A 43 5.127 9.848 -4.769 1.00 30.40 C ATOM 625 CD ARG A 43 6.093 9.219 -5.728 1.00 4.12 C ATOM 626 NE ARG A 43 7.468 9.593 -5.355 1.00 1.21 N ATOM 627 CZ ARG A 43 8.530 9.557 -6.149 1.00 62.21 C ATOM 628 NH1 ARG A 43 8.401 9.289 -7.448 1.00 23.54 N ATOM 629 NH2 ARG A 43 9.718 9.852 -5.648 1.00 32.05 N ATOM 0 H ARG A 43 1.114 9.842 -5.377 1.00 33.42 H new ATOM 0 HA ARG A 43 2.866 10.126 -3.120 1.00 43.23 H new ATOM 0 HB2 ARG A 43 3.459 8.492 -4.896 1.00 31.34 H new ATOM 0 HB3 ARG A 43 3.443 9.757 -6.109 1.00 31.34 H new ATOM 0 HG2 ARG A 43 5.275 10.928 -4.781 1.00 30.40 H new ATOM 0 HG3 ARG A 43 5.361 9.505 -3.761 1.00 30.40 H new ATOM 0 HD2 ARG A 43 5.983 8.135 -5.713 1.00 4.12 H new ATOM 0 HD3 ARG A 43 5.878 9.547 -6.745 1.00 4.12 H new ATOM 0 HE ARG A 43 7.617 9.909 -4.397 1.00 1.21 H new ATOM 0 HH11 ARG A 43 7.478 9.109 -7.842 1.00 23.54 H new ATOM 0 HH12 ARG A 43 9.226 9.264 -8.048 1.00 23.54 H new ATOM 0 HH21 ARG A 43 9.808 10.103 -4.663 1.00 32.05 H new ATOM 0 HH22 ARG A 43 10.544 9.829 -6.246 1.00 32.05 H new ATOM 643 N TYR A 44 3.837 12.347 -3.429 1.00 62.01 N ATOM 644 CA TYR A 44 4.456 13.631 -3.498 1.00 34.42 C ATOM 645 C TYR A 44 5.937 13.379 -3.715 1.00 21.03 C ATOM 646 O TYR A 44 6.604 12.903 -2.826 1.00 41.53 O ATOM 647 CB TYR A 44 4.211 14.408 -2.201 1.00 64.32 C ATOM 648 CG TYR A 44 2.766 14.805 -1.997 1.00 32.01 C ATOM 649 CD1 TYR A 44 1.797 13.862 -1.711 1.00 71.23 C ATOM 650 CD2 TYR A 44 2.381 16.126 -2.094 1.00 13.21 C ATOM 651 CE1 TYR A 44 0.480 14.222 -1.529 1.00 44.11 C ATOM 652 CE2 TYR A 44 1.067 16.505 -1.911 1.00 71.44 C ATOM 653 CZ TYR A 44 0.116 15.546 -1.631 1.00 13.43 C ATOM 654 OH TYR A 44 -1.205 15.913 -1.439 1.00 22.30 O ATOM 0 H TYR A 44 4.040 11.847 -2.564 1.00 62.01 H new ATOM 0 HA TYR A 44 4.044 14.233 -4.308 1.00 34.42 H new ATOM 0 HB2 TYR A 44 4.535 13.800 -1.356 1.00 64.32 H new ATOM 0 HB3 TYR A 44 4.829 15.306 -2.203 1.00 64.32 H new ATOM 0 HD1 TYR A 44 2.078 12.822 -1.629 1.00 71.23 H new ATOM 0 HD2 TYR A 44 3.123 16.878 -2.318 1.00 13.21 H new ATOM 0 HE1 TYR A 44 -0.263 13.470 -1.308 1.00 44.11 H new ATOM 0 HE2 TYR A 44 0.785 17.545 -1.986 1.00 71.44 H new ATOM 0 HH TYR A 44 -1.659 15.231 -0.902 1.00 22.30 H new ATOM 664 N LYS A 45 6.400 13.641 -4.922 1.00 74.31 N ATOM 665 CA LYS A 45 7.757 13.348 -5.381 1.00 12.12 C ATOM 666 C LYS A 45 8.921 13.781 -4.439 1.00 23.42 C ATOM 667 O LYS A 45 9.781 12.962 -4.149 1.00 14.35 O ATOM 668 CB LYS A 45 7.896 13.845 -6.826 1.00 43.14 C ATOM 669 CG LYS A 45 9.276 13.907 -7.405 1.00 60.22 C ATOM 670 CD LYS A 45 10.008 12.626 -7.338 1.00 72.42 C ATOM 671 CE LYS A 45 11.411 12.813 -7.886 1.00 11.25 C ATOM 672 NZ LYS A 45 12.171 13.861 -7.141 1.00 23.50 N ATOM 0 H LYS A 45 5.825 14.080 -5.641 1.00 74.31 H new ATOM 0 HA LYS A 45 7.879 12.265 -5.349 1.00 12.12 H new ATOM 0 HB2 LYS A 45 7.292 13.199 -7.464 1.00 43.14 H new ATOM 0 HB3 LYS A 45 7.462 14.844 -6.882 1.00 43.14 H new ATOM 0 HG2 LYS A 45 9.209 14.223 -8.446 1.00 60.22 H new ATOM 0 HG3 LYS A 45 9.848 14.670 -6.877 1.00 60.22 H new ATOM 0 HD2 LYS A 45 10.053 12.275 -6.307 1.00 72.42 H new ATOM 0 HD3 LYS A 45 9.481 11.864 -7.912 1.00 72.42 H new ATOM 0 HE2 LYS A 45 11.950 11.867 -7.831 1.00 11.25 H new ATOM 0 HE3 LYS A 45 11.355 13.087 -8.939 1.00 11.25 H new ATOM 0 HZ1 LYS A 45 13.191 13.710 -7.274 1.00 23.50 H new ATOM 0 HZ2 LYS A 45 11.910 14.801 -7.501 1.00 23.50 H new ATOM 0 HZ3 LYS A 45 11.942 13.802 -6.128 1.00 23.50 H new ATOM 686 N LEU A 46 8.948 15.035 -4.007 1.00 11.25 N ATOM 687 CA LEU A 46 9.995 15.545 -3.068 1.00 53.05 C ATOM 688 C LEU A 46 11.452 15.297 -3.526 1.00 52.35 C ATOM 689 O LEU A 46 12.012 14.221 -3.307 1.00 61.53 O ATOM 690 CB LEU A 46 9.817 15.014 -1.617 1.00 71.10 C ATOM 691 CG LEU A 46 8.742 15.648 -0.707 1.00 65.03 C ATOM 692 CD1 LEU A 46 7.369 15.602 -1.317 1.00 60.33 C ATOM 693 CD2 LEU A 46 8.735 14.949 0.644 1.00 21.52 C ATOM 0 H LEU A 46 8.262 15.738 -4.282 1.00 11.25 H new ATOM 0 HA LEU A 46 9.832 16.623 -3.080 1.00 53.05 H new ATOM 0 HB2 LEU A 46 9.603 13.947 -1.682 1.00 71.10 H new ATOM 0 HB3 LEU A 46 10.777 15.116 -1.111 1.00 71.10 H new ATOM 0 HG LEU A 46 9.001 16.699 -0.582 1.00 65.03 H new ATOM 0 HD11 LEU A 46 6.653 16.061 -0.636 1.00 60.33 H new ATOM 0 HD12 LEU A 46 7.372 16.147 -2.261 1.00 60.33 H new ATOM 0 HD13 LEU A 46 7.086 14.565 -1.497 1.00 60.33 H new ATOM 0 HD21 LEU A 46 7.975 15.399 1.283 1.00 21.52 H new ATOM 0 HD22 LEU A 46 8.512 13.891 0.505 1.00 21.52 H new ATOM 0 HD23 LEU A 46 9.713 15.055 1.114 1.00 21.52 H new ATOM 705 N LYS A 47 12.056 16.268 -4.164 1.00 35.12 N ATOM 706 CA LYS A 47 13.461 16.147 -4.517 1.00 61.31 C ATOM 707 C LYS A 47 14.420 16.510 -3.379 1.00 72.22 C ATOM 708 O LYS A 47 15.617 16.250 -3.457 1.00 61.00 O ATOM 709 CB LYS A 47 13.830 16.764 -5.888 1.00 60.12 C ATOM 710 CG LYS A 47 13.346 18.159 -6.098 1.00 40.40 C ATOM 711 CD LYS A 47 13.910 19.061 -5.079 1.00 41.44 C ATOM 712 CE LYS A 47 13.340 20.407 -5.166 1.00 60.14 C ATOM 713 NZ LYS A 47 13.726 21.130 -6.399 1.00 54.15 N ATOM 0 H LYS A 47 11.612 17.141 -4.449 1.00 35.12 H new ATOM 0 HA LYS A 47 13.613 15.078 -4.666 1.00 61.31 H new ATOM 0 HB2 LYS A 47 14.915 16.751 -5.996 1.00 60.12 H new ATOM 0 HB3 LYS A 47 13.423 16.131 -6.677 1.00 60.12 H new ATOM 0 HG2 LYS A 47 13.630 18.502 -7.093 1.00 40.40 H new ATOM 0 HG3 LYS A 47 12.257 18.183 -6.051 1.00 40.40 H new ATOM 0 HD2 LYS A 47 13.722 18.651 -4.087 1.00 41.44 H new ATOM 0 HD3 LYS A 47 14.992 19.116 -5.202 1.00 41.44 H new ATOM 0 HE2 LYS A 47 12.253 20.337 -5.120 1.00 60.14 H new ATOM 0 HE3 LYS A 47 13.659 20.986 -4.299 1.00 60.14 H new ATOM 0 HZ1 LYS A 47 13.361 22.103 -6.360 1.00 54.15 H new ATOM 0 HZ2 LYS A 47 14.763 21.152 -6.478 1.00 54.15 H new ATOM 0 HZ3 LYS A 47 13.326 20.643 -7.226 1.00 54.15 H new ATOM 727 N GLY A 48 13.880 17.105 -2.330 1.00 54.42 N ATOM 728 CA GLY A 48 14.689 17.468 -1.183 1.00 1.25 C ATOM 729 C GLY A 48 14.969 16.277 -0.288 1.00 13.04 C ATOM 730 O GLY A 48 16.092 16.082 0.180 1.00 43.33 O ATOM 0 H GLY A 48 12.892 17.345 -2.250 1.00 54.42 H new ATOM 0 HA2 GLY A 48 15.632 17.895 -1.525 1.00 1.25 H new ATOM 0 HA3 GLY A 48 14.178 18.241 -0.609 1.00 1.25 H new ATOM 734 N LEU A 49 13.949 15.483 -0.053 1.00 4.41 N ATOM 735 CA LEU A 49 14.068 14.295 0.775 1.00 0.41 C ATOM 736 C LEU A 49 14.320 13.078 -0.128 1.00 62.31 C ATOM 737 O LEU A 49 13.918 13.090 -1.283 1.00 73.12 O ATOM 738 CB LEU A 49 12.797 14.090 1.655 1.00 25.23 C ATOM 739 CG LEU A 49 12.495 15.132 2.768 1.00 52.21 C ATOM 740 CD1 LEU A 49 13.654 15.257 3.742 1.00 74.45 C ATOM 741 CD2 LEU A 49 12.099 16.499 2.203 1.00 1.21 C ATOM 0 H LEU A 49 13.013 15.638 -0.428 1.00 4.41 H new ATOM 0 HA LEU A 49 14.910 14.417 1.457 1.00 0.41 H new ATOM 0 HB2 LEU A 49 11.934 14.055 0.990 1.00 25.23 H new ATOM 0 HB3 LEU A 49 12.875 13.111 2.128 1.00 25.23 H new ATOM 0 HG LEU A 49 11.632 14.756 3.317 1.00 52.21 H new ATOM 0 HD11 LEU A 49 13.409 15.994 4.507 1.00 74.45 H new ATOM 0 HD12 LEU A 49 13.838 14.292 4.214 1.00 74.45 H new ATOM 0 HD13 LEU A 49 14.548 15.575 3.205 1.00 74.45 H new ATOM 0 HD21 LEU A 49 11.899 17.188 3.024 1.00 1.21 H new ATOM 0 HD22 LEU A 49 12.912 16.889 1.591 1.00 1.21 H new ATOM 0 HD23 LEU A 49 11.203 16.394 1.591 1.00 1.21 H new ATOM 753 N PRO A 50 14.997 12.031 0.376 1.00 11.22 N ATOM 754 CA PRO A 50 15.352 10.842 -0.429 1.00 11.35 C ATOM 755 C PRO A 50 14.154 9.915 -0.765 1.00 34.44 C ATOM 756 O PRO A 50 13.566 9.285 0.116 1.00 35.21 O ATOM 757 CB PRO A 50 16.370 10.121 0.438 1.00 4.34 C ATOM 758 CG PRO A 50 16.045 10.529 1.838 1.00 70.03 C ATOM 759 CD PRO A 50 15.490 11.920 1.764 1.00 15.42 C ATOM 0 HA PRO A 50 15.726 11.135 -1.410 1.00 11.35 H new ATOM 0 HB2 PRO A 50 16.298 9.040 0.315 1.00 4.34 H new ATOM 0 HB3 PRO A 50 17.388 10.405 0.170 1.00 4.34 H new ATOM 0 HG2 PRO A 50 15.320 9.846 2.282 1.00 70.03 H new ATOM 0 HG3 PRO A 50 16.935 10.501 2.466 1.00 70.03 H new ATOM 0 HD2 PRO A 50 14.687 12.069 2.486 1.00 15.42 H new ATOM 0 HD3 PRO A 50 16.254 12.667 1.978 1.00 15.42 H new ATOM 767 N TYR A 51 13.810 9.883 -2.060 1.00 4.20 N ATOM 768 CA TYR A 51 12.686 9.094 -2.643 1.00 34.32 C ATOM 769 C TYR A 51 11.374 8.922 -1.818 1.00 51.54 C ATOM 770 O TYR A 51 10.986 7.814 -1.451 1.00 2.14 O ATOM 771 CB TYR A 51 13.098 7.860 -3.467 1.00 71.13 C ATOM 772 CG TYR A 51 14.042 6.878 -2.800 1.00 34.42 C ATOM 773 CD1 TYR A 51 15.418 7.044 -2.893 1.00 2.10 C ATOM 774 CD2 TYR A 51 13.562 5.773 -2.110 1.00 63.51 C ATOM 775 CE1 TYR A 51 16.287 6.143 -2.317 1.00 2.14 C ATOM 776 CE2 TYR A 51 14.426 4.868 -1.523 1.00 12.51 C ATOM 777 CZ TYR A 51 15.787 5.058 -1.633 1.00 62.13 C ATOM 778 OH TYR A 51 16.658 4.150 -1.064 1.00 42.13 O ATOM 0 H TYR A 51 14.316 10.420 -2.765 1.00 4.20 H new ATOM 0 HA TYR A 51 12.344 9.824 -3.377 1.00 34.32 H new ATOM 0 HB2 TYR A 51 12.193 7.323 -3.750 1.00 71.13 H new ATOM 0 HB3 TYR A 51 13.564 8.207 -4.389 1.00 71.13 H new ATOM 0 HD1 TYR A 51 15.814 7.895 -3.427 1.00 2.10 H new ATOM 0 HD2 TYR A 51 12.496 5.618 -2.031 1.00 63.51 H new ATOM 0 HE1 TYR A 51 17.354 6.287 -2.402 1.00 2.14 H new ATOM 0 HE2 TYR A 51 14.038 4.018 -0.982 1.00 12.51 H new ATOM 0 HH TYR A 51 16.147 3.443 -0.617 1.00 42.13 H new ATOM 788 N PRO A 52 10.732 10.045 -1.490 1.00 42.15 N ATOM 789 CA PRO A 52 9.451 10.142 -0.800 1.00 63.41 C ATOM 790 C PRO A 52 8.341 10.557 -1.794 1.00 72.33 C ATOM 791 O PRO A 52 8.634 10.773 -2.974 1.00 43.23 O ATOM 792 CB PRO A 52 9.721 11.316 0.159 1.00 53.25 C ATOM 793 CG PRO A 52 10.983 11.955 -0.325 1.00 30.30 C ATOM 794 CD PRO A 52 11.233 11.388 -1.679 1.00 10.33 C ATOM 0 HA PRO A 52 9.128 9.215 -0.326 1.00 63.41 H new ATOM 0 HB2 PRO A 52 8.894 12.026 0.150 1.00 53.25 H new ATOM 0 HB3 PRO A 52 9.829 10.966 1.186 1.00 53.25 H new ATOM 0 HG2 PRO A 52 10.880 13.039 -0.368 1.00 30.30 H new ATOM 0 HG3 PRO A 52 11.813 11.740 0.348 1.00 30.30 H new ATOM 0 HD2 PRO A 52 10.697 11.926 -2.461 1.00 10.33 H new ATOM 0 HD3 PRO A 52 12.289 11.404 -1.948 1.00 10.33 H new ATOM 802 N CYS A 53 7.062 10.557 -1.415 1.00 62.41 N ATOM 803 CA CYS A 53 6.451 9.998 -0.224 1.00 22.13 C ATOM 804 C CYS A 53 4.985 9.818 -0.618 1.00 34.23 C ATOM 805 O CYS A 53 4.605 10.268 -1.701 1.00 70.23 O ATOM 806 CB CYS A 53 6.542 10.959 0.974 1.00 21.41 C ATOM 807 SG CYS A 53 5.982 10.241 2.532 1.00 5.45 S ATOM 0 H CYS A 53 6.358 10.999 -2.006 1.00 62.41 H new ATOM 0 HA CYS A 53 6.945 9.077 0.086 1.00 22.13 H new ATOM 0 HB2 CYS A 53 7.576 11.286 1.087 1.00 21.41 H new ATOM 0 HB3 CYS A 53 5.948 11.847 0.760 1.00 21.41 H new ATOM 0 HG CYS A 53 7.002 10.058 3.317 1.00 5.45 H new ATOM 813 N ILE A 54 4.163 9.238 0.216 1.00 42.05 N ATOM 814 CA ILE A 54 2.740 9.152 -0.087 1.00 11.42 C ATOM 815 C ILE A 54 1.900 9.497 1.120 1.00 22.10 C ATOM 816 O ILE A 54 2.223 9.117 2.244 1.00 42.34 O ATOM 817 CB ILE A 54 2.297 7.780 -0.623 1.00 42.04 C ATOM 818 CG1 ILE A 54 2.724 6.664 0.308 1.00 24.52 C ATOM 819 CG2 ILE A 54 2.751 7.544 -2.047 1.00 44.20 C ATOM 820 CD1 ILE A 54 2.259 5.317 -0.122 1.00 3.30 C ATOM 0 H ILE A 54 4.440 8.819 1.104 1.00 42.05 H new ATOM 0 HA ILE A 54 2.580 9.881 -0.881 1.00 11.42 H new ATOM 0 HB ILE A 54 1.207 7.781 -0.651 1.00 42.04 H new ATOM 0 HG12 ILE A 54 3.812 6.658 0.379 1.00 24.52 H new ATOM 0 HG13 ILE A 54 2.340 6.869 1.307 1.00 24.52 H new ATOM 0 HG21 ILE A 54 2.413 6.562 -2.379 1.00 44.20 H new ATOM 0 HG22 ILE A 54 2.328 8.311 -2.696 1.00 44.20 H new ATOM 0 HG23 ILE A 54 3.839 7.588 -2.094 1.00 44.20 H new ATOM 0 HD11 ILE A 54 2.602 4.568 0.592 1.00 3.30 H new ATOM 0 HD12 ILE A 54 1.170 5.305 -0.165 1.00 3.30 H new ATOM 0 HD13 ILE A 54 2.664 5.090 -1.108 1.00 3.30 H new ATOM 832 N VAL A 55 0.844 10.239 0.869 1.00 4.43 N ATOM 833 CA VAL A 55 -0.133 10.673 1.868 1.00 23.21 C ATOM 834 C VAL A 55 -1.464 10.930 1.176 1.00 14.12 C ATOM 835 O VAL A 55 -1.719 10.380 0.086 1.00 71.12 O ATOM 836 CB VAL A 55 0.311 11.977 2.633 1.00 41.04 C ATOM 837 CG1 VAL A 55 1.393 11.690 3.634 1.00 51.44 C ATOM 838 CG2 VAL A 55 0.788 13.039 1.662 1.00 52.42 C ATOM 0 H VAL A 55 0.626 10.574 -0.069 1.00 4.43 H new ATOM 0 HA VAL A 55 -0.218 9.878 2.609 1.00 23.21 H new ATOM 0 HB VAL A 55 -0.564 12.347 3.167 1.00 41.04 H new ATOM 0 HG11 VAL A 55 1.673 12.613 4.142 1.00 51.44 H new ATOM 0 HG12 VAL A 55 1.029 10.969 4.366 1.00 51.44 H new ATOM 0 HG13 VAL A 55 2.263 11.279 3.122 1.00 51.44 H new ATOM 0 HG21 VAL A 55 1.089 13.929 2.215 1.00 52.42 H new ATOM 0 HG22 VAL A 55 1.638 12.659 1.096 1.00 52.42 H new ATOM 0 HG23 VAL A 55 -0.020 13.294 0.976 1.00 52.42 H new ATOM 848 N SER A 56 -2.316 11.704 1.837 1.00 4.52 N ATOM 849 CA SER A 56 -3.602 12.148 1.338 1.00 75.35 C ATOM 850 C SER A 56 -4.712 11.130 1.546 1.00 23.13 C ATOM 851 O SER A 56 -5.828 11.511 1.908 1.00 5.21 O ATOM 852 CB SER A 56 -3.531 12.682 -0.114 1.00 52.02 C ATOM 853 OG SER A 56 -2.604 13.764 -0.206 1.00 45.24 O ATOM 0 H SER A 56 -2.117 12.052 2.775 1.00 4.52 H new ATOM 0 HA SER A 56 -3.877 13.003 1.956 1.00 75.35 H new ATOM 0 HB2 SER A 56 -3.230 11.880 -0.788 1.00 52.02 H new ATOM 0 HB3 SER A 56 -4.519 13.014 -0.434 1.00 52.02 H new ATOM 0 HG SER A 56 -1.749 13.434 -0.552 1.00 45.24 H new ATOM 859 N SER A 57 -4.401 9.831 1.344 1.00 22.44 N ATOM 860 CA SER A 57 -5.390 8.746 1.486 1.00 40.13 C ATOM 861 C SER A 57 -6.585 9.018 0.554 1.00 73.11 C ATOM 862 O SER A 57 -7.715 8.599 0.804 1.00 31.21 O ATOM 863 CB SER A 57 -5.826 8.619 2.956 1.00 40.42 C ATOM 864 OG SER A 57 -4.694 8.347 3.794 1.00 34.13 O ATOM 0 H SER A 57 -3.469 9.510 1.081 1.00 22.44 H new ATOM 0 HA SER A 57 -4.944 7.795 1.195 1.00 40.13 H new ATOM 0 HB2 SER A 57 -6.312 9.540 3.278 1.00 40.42 H new ATOM 0 HB3 SER A 57 -6.560 7.820 3.056 1.00 40.42 H new ATOM 0 HG SER A 57 -4.988 8.271 4.726 1.00 34.13 H new ATOM 870 N ASP A 58 -6.272 9.666 -0.551 1.00 22.51 N ATOM 871 CA ASP A 58 -7.237 10.104 -1.543 1.00 64.22 C ATOM 872 C ASP A 58 -7.744 8.899 -2.359 1.00 13.55 C ATOM 873 O ASP A 58 -7.268 7.782 -2.179 1.00 63.21 O ATOM 874 CB ASP A 58 -6.550 11.164 -2.448 1.00 70.14 C ATOM 875 CG ASP A 58 -7.448 11.784 -3.503 1.00 21.15 C ATOM 876 OD1 ASP A 58 -8.145 12.770 -3.207 1.00 0.01 O ATOM 877 OD2 ASP A 58 -7.460 11.295 -4.641 1.00 74.10 O ATOM 0 H ASP A 58 -5.311 9.910 -0.791 1.00 22.51 H new ATOM 0 HA ASP A 58 -8.107 10.553 -1.064 1.00 64.22 H new ATOM 0 HB2 ASP A 58 -6.155 11.959 -1.815 1.00 70.14 H new ATOM 0 HB3 ASP A 58 -5.698 10.699 -2.945 1.00 70.14 H new ATOM 882 N SER A 59 -8.688 9.127 -3.240 1.00 72.43 N ATOM 883 CA SER A 59 -9.249 8.077 -4.057 1.00 33.50 C ATOM 884 C SER A 59 -8.328 7.749 -5.246 1.00 32.44 C ATOM 885 O SER A 59 -8.640 6.872 -6.069 1.00 12.22 O ATOM 886 CB SER A 59 -10.631 8.499 -4.543 1.00 72.03 C ATOM 887 OG SER A 59 -11.471 8.811 -3.436 1.00 4.31 O ATOM 0 H SER A 59 -9.090 10.049 -3.411 1.00 72.43 H new ATOM 0 HA SER A 59 -9.341 7.172 -3.456 1.00 33.50 H new ATOM 0 HB2 SER A 59 -10.544 9.366 -5.198 1.00 72.03 H new ATOM 0 HB3 SER A 59 -11.077 7.698 -5.132 1.00 72.03 H new ATOM 0 HG SER A 59 -12.355 9.082 -3.762 1.00 4.31 H new ATOM 893 N GLY A 60 -7.213 8.463 -5.337 1.00 22.44 N ATOM 894 CA GLY A 60 -6.234 8.216 -6.372 1.00 74.12 C ATOM 895 C GLY A 60 -5.451 6.939 -6.135 1.00 60.25 C ATOM 896 O GLY A 60 -5.764 6.156 -5.228 1.00 34.23 O ATOM 0 H GLY A 60 -6.969 9.221 -4.699 1.00 22.44 H new ATOM 0 HA2 GLY A 60 -6.737 8.157 -7.337 1.00 74.12 H new ATOM 0 HA3 GLY A 60 -5.544 9.058 -6.424 1.00 74.12 H new ATOM 900 N LYS A 61 -4.441 6.717 -6.930 1.00 13.45 N ATOM 901 CA LYS A 61 -3.657 5.520 -6.817 1.00 4.12 C ATOM 902 C LYS A 61 -2.253 5.769 -7.360 1.00 54.34 C ATOM 903 O LYS A 61 -2.081 6.515 -8.327 1.00 3.43 O ATOM 904 CB LYS A 61 -4.387 4.354 -7.541 1.00 53.12 C ATOM 905 CG LYS A 61 -4.525 4.513 -9.050 1.00 54.40 C ATOM 906 CD LYS A 61 -5.612 3.599 -9.634 1.00 52.44 C ATOM 907 CE LYS A 61 -5.400 2.130 -9.331 1.00 40.14 C ATOM 908 NZ LYS A 61 -6.490 1.308 -9.886 1.00 4.41 N ATOM 0 H LYS A 61 -4.141 7.354 -7.668 1.00 13.45 H new ATOM 0 HA LYS A 61 -3.546 5.233 -5.771 1.00 4.12 H new ATOM 0 HB2 LYS A 61 -3.850 3.428 -7.337 1.00 53.12 H new ATOM 0 HB3 LYS A 61 -5.383 4.247 -7.110 1.00 53.12 H new ATOM 0 HG2 LYS A 61 -4.762 5.551 -9.284 1.00 54.40 H new ATOM 0 HG3 LYS A 61 -3.570 4.289 -9.526 1.00 54.40 H new ATOM 0 HD2 LYS A 61 -6.582 3.906 -9.241 1.00 52.44 H new ATOM 0 HD3 LYS A 61 -5.648 3.736 -10.715 1.00 52.44 H new ATOM 0 HE2 LYS A 61 -4.447 1.804 -9.748 1.00 40.14 H new ATOM 0 HE3 LYS A 61 -5.343 1.983 -8.252 1.00 40.14 H new ATOM 0 HZ1 LYS A 61 -6.318 0.307 -9.663 1.00 4.41 H new ATOM 0 HZ2 LYS A 61 -7.395 1.605 -9.469 1.00 4.41 H new ATOM 0 HZ3 LYS A 61 -6.527 1.431 -10.918 1.00 4.41 H new ATOM 922 N VAL A 62 -1.267 5.178 -6.726 1.00 21.14 N ATOM 923 CA VAL A 62 0.133 5.360 -7.105 1.00 62.35 C ATOM 924 C VAL A 62 0.610 4.109 -7.818 1.00 13.40 C ATOM 925 O VAL A 62 0.530 3.029 -7.262 1.00 41.12 O ATOM 926 CB VAL A 62 1.023 5.542 -5.839 1.00 24.21 C ATOM 927 CG1 VAL A 62 2.470 5.842 -6.211 1.00 40.20 C ATOM 928 CG2 VAL A 62 0.478 6.613 -4.928 1.00 44.13 C ATOM 0 H VAL A 62 -1.403 4.555 -5.930 1.00 21.14 H new ATOM 0 HA VAL A 62 0.209 6.241 -7.742 1.00 62.35 H new ATOM 0 HB VAL A 62 1.003 4.596 -5.298 1.00 24.21 H new ATOM 0 HG11 VAL A 62 3.061 5.963 -5.303 1.00 40.20 H new ATOM 0 HG12 VAL A 62 2.873 5.018 -6.800 1.00 40.20 H new ATOM 0 HG13 VAL A 62 2.512 6.760 -6.797 1.00 40.20 H new ATOM 0 HG21 VAL A 62 1.124 6.712 -4.056 1.00 44.13 H new ATOM 0 HG22 VAL A 62 0.442 7.562 -5.463 1.00 44.13 H new ATOM 0 HG23 VAL A 62 -0.527 6.340 -4.606 1.00 44.13 H new ATOM 938 N ASN A 63 1.099 4.240 -9.020 1.00 24.21 N ATOM 939 CA ASN A 63 1.544 3.069 -9.755 1.00 30.31 C ATOM 940 C ASN A 63 3.063 3.002 -9.719 1.00 63.03 C ATOM 941 O ASN A 63 3.746 3.886 -10.246 1.00 51.42 O ATOM 942 CB ASN A 63 1.031 3.110 -11.207 1.00 24.45 C ATOM 943 CG ASN A 63 1.206 1.781 -11.941 1.00 2.14 C ATOM 944 OD1 ASN A 63 0.320 0.930 -11.902 1.00 35.15 O ATOM 945 ND2 ASN A 63 2.310 1.601 -12.626 1.00 23.44 N ATOM 0 H ASN A 63 1.202 5.127 -9.513 1.00 24.21 H new ATOM 0 HA ASN A 63 1.136 2.173 -9.286 1.00 30.31 H new ATOM 0 HB2 ASN A 63 -0.025 3.382 -11.206 1.00 24.45 H new ATOM 0 HB3 ASN A 63 1.561 3.892 -11.751 1.00 24.45 H new ATOM 0 HD21 ASN A 63 2.452 0.735 -13.146 1.00 23.44 H new ATOM 0 HD22 ASN A 63 3.027 2.327 -12.638 1.00 23.44 H new ATOM 952 N GLY A 64 3.583 1.970 -9.095 1.00 34.35 N ATOM 953 CA GLY A 64 5.009 1.829 -8.945 1.00 3.21 C ATOM 954 C GLY A 64 5.421 0.385 -8.879 1.00 21.34 C ATOM 955 O GLY A 64 4.910 -0.437 -9.634 1.00 53.30 O ATOM 0 H GLY A 64 3.036 1.215 -8.683 1.00 34.35 H new ATOM 0 HA2 GLY A 64 5.513 2.313 -9.782 1.00 3.21 H new ATOM 0 HA3 GLY A 64 5.332 2.341 -8.039 1.00 3.21 H new ATOM 959 N LYS A 65 6.319 0.059 -7.973 1.00 42.14 N ATOM 960 CA LYS A 65 6.791 -1.301 -7.835 1.00 23.53 C ATOM 961 C LYS A 65 6.949 -1.715 -6.413 1.00 45.04 C ATOM 962 O LYS A 65 7.273 -0.910 -5.540 1.00 41.11 O ATOM 963 CB LYS A 65 8.094 -1.623 -8.631 1.00 31.02 C ATOM 964 CG LYS A 65 7.888 -1.780 -10.144 1.00 13.00 C ATOM 965 CD LYS A 65 9.091 -2.384 -10.872 1.00 12.44 C ATOM 966 CE LYS A 65 10.252 -1.475 -10.984 1.00 33.42 C ATOM 967 NZ LYS A 65 11.412 -2.157 -11.625 1.00 75.12 N ATOM 0 H LYS A 65 6.737 0.721 -7.319 1.00 42.14 H new ATOM 0 HA LYS A 65 5.995 -1.892 -8.287 1.00 23.53 H new ATOM 0 HB2 LYS A 65 8.819 -0.828 -8.455 1.00 31.02 H new ATOM 0 HB3 LYS A 65 8.528 -2.542 -8.238 1.00 31.02 H new ATOM 0 HG2 LYS A 65 7.016 -2.410 -10.319 1.00 13.00 H new ATOM 0 HG3 LYS A 65 7.668 -0.803 -10.575 1.00 13.00 H new ATOM 0 HD2 LYS A 65 9.401 -3.288 -10.349 1.00 12.44 H new ATOM 0 HD3 LYS A 65 8.782 -2.685 -11.873 1.00 12.44 H new ATOM 0 HE2 LYS A 65 9.975 -0.597 -11.568 1.00 33.42 H new ATOM 0 HE3 LYS A 65 10.537 -1.121 -9.993 1.00 33.42 H new ATOM 0 HZ1 LYS A 65 12.262 -1.566 -11.523 1.00 75.12 H new ATOM 0 HZ2 LYS A 65 11.572 -3.076 -11.165 1.00 75.12 H new ATOM 0 HZ3 LYS A 65 11.213 -2.306 -12.635 1.00 75.12 H new ATOM 981 N VAL A 66 6.711 -2.968 -6.181 1.00 10.14 N ATOM 982 CA VAL A 66 6.903 -3.547 -4.898 1.00 5.21 C ATOM 983 C VAL A 66 8.173 -4.374 -4.918 1.00 61.40 C ATOM 984 O VAL A 66 8.417 -5.139 -5.863 1.00 63.35 O ATOM 985 CB VAL A 66 5.684 -4.412 -4.430 1.00 60.44 C ATOM 986 CG1 VAL A 66 4.460 -3.541 -4.251 1.00 52.02 C ATOM 987 CG2 VAL A 66 5.375 -5.536 -5.416 1.00 61.22 C ATOM 0 H VAL A 66 6.374 -3.621 -6.888 1.00 10.14 H new ATOM 0 HA VAL A 66 6.992 -2.737 -4.174 1.00 5.21 H new ATOM 0 HB VAL A 66 5.953 -4.865 -3.476 1.00 60.44 H new ATOM 0 HG11 VAL A 66 3.621 -4.155 -3.926 1.00 52.02 H new ATOM 0 HG12 VAL A 66 4.663 -2.778 -3.500 1.00 52.02 H new ATOM 0 HG13 VAL A 66 4.213 -3.062 -5.198 1.00 52.02 H new ATOM 0 HG21 VAL A 66 4.523 -6.113 -5.055 1.00 61.22 H new ATOM 0 HG22 VAL A 66 5.138 -5.110 -6.391 1.00 61.22 H new ATOM 0 HG23 VAL A 66 6.243 -6.189 -5.507 1.00 61.22 H new ATOM 997 N ILE A 67 8.991 -4.199 -3.917 1.00 55.41 N ATOM 998 CA ILE A 67 10.235 -4.926 -3.806 1.00 32.33 C ATOM 999 C ILE A 67 9.876 -6.205 -3.090 1.00 44.11 C ATOM 1000 O ILE A 67 9.491 -6.170 -1.921 1.00 72.42 O ATOM 1001 CB ILE A 67 11.257 -4.152 -2.921 1.00 24.32 C ATOM 1002 CG1 ILE A 67 11.183 -2.655 -3.168 1.00 50.22 C ATOM 1003 CG2 ILE A 67 12.689 -4.611 -3.249 1.00 63.53 C ATOM 1004 CD1 ILE A 67 11.992 -1.887 -2.165 1.00 11.12 C ATOM 0 H ILE A 67 8.818 -3.548 -3.151 1.00 55.41 H new ATOM 0 HA ILE A 67 10.685 -5.081 -4.787 1.00 32.33 H new ATOM 0 HB ILE A 67 11.008 -4.362 -1.881 1.00 24.32 H new ATOM 0 HG12 ILE A 67 11.543 -2.434 -4.173 1.00 50.22 H new ATOM 0 HG13 ILE A 67 10.144 -2.330 -3.123 1.00 50.22 H new ATOM 0 HG21 ILE A 67 13.398 -4.065 -2.626 1.00 63.53 H new ATOM 0 HG22 ILE A 67 12.782 -5.679 -3.054 1.00 63.53 H new ATOM 0 HG23 ILE A 67 12.903 -4.414 -4.300 1.00 63.53 H new ATOM 0 HD11 ILE A 67 11.914 -0.820 -2.375 1.00 11.12 H new ATOM 0 HD12 ILE A 67 11.615 -2.088 -1.162 1.00 11.12 H new ATOM 0 HD13 ILE A 67 13.036 -2.194 -2.228 1.00 11.12 H new ATOM 1016 N THR A 68 9.938 -7.304 -3.781 1.00 13.53 N ATOM 1017 CA THR A 68 9.482 -8.551 -3.220 1.00 65.33 C ATOM 1018 C THR A 68 10.634 -9.376 -2.657 1.00 72.12 C ATOM 1019 O THR A 68 11.810 -9.082 -2.918 1.00 54.20 O ATOM 1020 CB THR A 68 8.715 -9.384 -4.269 1.00 34.12 C ATOM 1021 OG1 THR A 68 9.568 -9.681 -5.388 1.00 4.34 O ATOM 1022 CG2 THR A 68 7.495 -8.631 -4.772 1.00 75.12 C ATOM 0 H THR A 68 10.298 -7.368 -4.733 1.00 13.53 H new ATOM 0 HA THR A 68 8.809 -8.299 -2.401 1.00 65.33 H new ATOM 0 HB THR A 68 8.395 -10.309 -3.790 1.00 34.12 H new ATOM 0 HG1 THR A 68 9.847 -8.845 -5.817 1.00 4.34 H new ATOM 0 HG21 THR A 68 6.971 -9.238 -5.510 1.00 75.12 H new ATOM 0 HG22 THR A 68 6.828 -8.420 -3.936 1.00 75.12 H new ATOM 0 HG23 THR A 68 7.810 -7.694 -5.231 1.00 75.12 H new ATOM 1030 N GLY A 69 10.284 -10.407 -1.892 1.00 32.43 N ATOM 1031 CA GLY A 69 11.259 -11.308 -1.327 1.00 73.00 C ATOM 1032 C GLY A 69 12.144 -10.658 -0.302 1.00 44.24 C ATOM 1033 O GLY A 69 13.346 -10.929 -0.253 1.00 1.10 O ATOM 0 H GLY A 69 9.318 -10.632 -1.653 1.00 32.43 H new ATOM 0 HA2 GLY A 69 10.742 -12.151 -0.869 1.00 73.00 H new ATOM 0 HA3 GLY A 69 11.878 -11.711 -2.128 1.00 73.00 H new ATOM 1037 N VAL A 70 11.578 -9.807 0.514 1.00 62.42 N ATOM 1038 CA VAL A 70 12.357 -9.158 1.524 1.00 45.41 C ATOM 1039 C VAL A 70 12.048 -9.811 2.846 1.00 31.43 C ATOM 1040 O VAL A 70 10.900 -9.868 3.247 1.00 22.11 O ATOM 1041 CB VAL A 70 12.031 -7.632 1.609 1.00 33.24 C ATOM 1042 CG1 VAL A 70 12.956 -6.940 2.579 1.00 5.45 C ATOM 1043 CG2 VAL A 70 12.104 -6.974 0.236 1.00 14.45 C ATOM 0 H VAL A 70 10.591 -9.552 0.496 1.00 62.42 H new ATOM 0 HA VAL A 70 13.413 -9.257 1.275 1.00 45.41 H new ATOM 0 HB VAL A 70 11.009 -7.531 1.976 1.00 33.24 H new ATOM 0 HG11 VAL A 70 12.711 -5.879 2.622 1.00 5.45 H new ATOM 0 HG12 VAL A 70 12.839 -7.380 3.570 1.00 5.45 H new ATOM 0 HG13 VAL A 70 13.987 -7.061 2.247 1.00 5.45 H new ATOM 0 HG21 VAL A 70 11.872 -5.913 0.328 1.00 14.45 H new ATOM 0 HG22 VAL A 70 13.108 -7.092 -0.171 1.00 14.45 H new ATOM 0 HG23 VAL A 70 11.384 -7.446 -0.432 1.00 14.45 H new ATOM 1053 N SER A 71 13.035 -10.330 3.501 1.00 63.11 N ATOM 1054 CA SER A 71 12.817 -10.904 4.796 1.00 42.42 C ATOM 1055 C SER A 71 12.729 -9.762 5.813 1.00 3.33 C ATOM 1056 O SER A 71 13.206 -8.664 5.526 1.00 62.25 O ATOM 1057 CB SER A 71 13.949 -11.872 5.122 1.00 13.12 C ATOM 1058 OG SER A 71 14.129 -12.807 4.055 1.00 3.22 O ATOM 0 H SER A 71 13.998 -10.370 3.166 1.00 63.11 H new ATOM 0 HA SER A 71 11.887 -11.472 4.825 1.00 42.42 H new ATOM 0 HB2 SER A 71 14.873 -11.318 5.288 1.00 13.12 H new ATOM 0 HB3 SER A 71 13.726 -12.404 6.047 1.00 13.12 H new ATOM 0 HG SER A 71 14.749 -12.434 3.394 1.00 3.22 H new ATOM 1064 N ASP A 72 12.114 -9.992 6.976 1.00 21.50 N ATOM 1065 CA ASP A 72 11.962 -8.902 7.986 1.00 3.45 C ATOM 1066 C ASP A 72 13.318 -8.321 8.369 1.00 41.14 C ATOM 1067 O ASP A 72 13.449 -7.113 8.570 1.00 5.20 O ATOM 1068 CB ASP A 72 11.180 -9.344 9.258 1.00 1.52 C ATOM 1069 CG ASP A 72 11.909 -10.317 10.153 1.00 4.23 C ATOM 1070 OD1 ASP A 72 11.916 -11.528 9.857 1.00 64.54 O ATOM 1071 OD2 ASP A 72 12.459 -9.887 11.186 1.00 60.30 O ATOM 0 H ASP A 72 11.718 -10.891 7.252 1.00 21.50 H new ATOM 0 HA ASP A 72 11.363 -8.128 7.506 1.00 3.45 H new ATOM 0 HB2 ASP A 72 10.931 -8.456 9.839 1.00 1.52 H new ATOM 0 HB3 ASP A 72 10.238 -9.796 8.948 1.00 1.52 H new ATOM 1076 N ALA A 73 14.325 -9.185 8.416 1.00 15.44 N ATOM 1077 CA ALA A 73 15.695 -8.787 8.711 1.00 22.55 C ATOM 1078 C ALA A 73 16.236 -7.856 7.620 1.00 1.34 C ATOM 1079 O ALA A 73 16.826 -6.821 7.911 1.00 73.35 O ATOM 1080 CB ALA A 73 16.585 -10.015 8.856 1.00 71.43 C ATOM 0 H ALA A 73 14.213 -10.185 8.250 1.00 15.44 H new ATOM 0 HA ALA A 73 15.699 -8.243 9.655 1.00 22.55 H new ATOM 0 HB1 ALA A 73 17.605 -9.701 9.076 1.00 71.43 H new ATOM 0 HB2 ALA A 73 16.214 -10.639 9.669 1.00 71.43 H new ATOM 0 HB3 ALA A 73 16.573 -10.585 7.927 1.00 71.43 H new ATOM 1086 N GLU A 74 15.989 -8.221 6.375 1.00 15.20 N ATOM 1087 CA GLU A 74 16.429 -7.455 5.197 1.00 74.24 C ATOM 1088 C GLU A 74 15.673 -6.152 5.100 1.00 24.44 C ATOM 1089 O GLU A 74 16.221 -5.133 4.655 1.00 51.22 O ATOM 1090 CB GLU A 74 16.170 -8.275 3.938 1.00 53.33 C ATOM 1091 CG GLU A 74 16.894 -9.605 3.888 1.00 74.31 C ATOM 1092 CD GLU A 74 16.578 -10.388 2.634 1.00 62.15 C ATOM 1093 OE1 GLU A 74 15.527 -11.047 2.586 1.00 15.01 O ATOM 1094 OE2 GLU A 74 17.384 -10.367 1.689 1.00 21.45 O ATOM 0 H GLU A 74 15.471 -9.067 6.138 1.00 15.20 H new ATOM 0 HA GLU A 74 17.493 -7.241 5.296 1.00 74.24 H new ATOM 0 HB2 GLU A 74 15.099 -8.457 3.853 1.00 53.33 H new ATOM 0 HB3 GLU A 74 16.463 -7.685 3.070 1.00 53.33 H new ATOM 0 HG2 GLU A 74 17.969 -9.433 3.944 1.00 74.31 H new ATOM 0 HG3 GLU A 74 16.620 -10.197 4.761 1.00 74.31 H new ATOM 1101 N LEU A 75 14.417 -6.171 5.541 1.00 21.33 N ATOM 1102 CA LEU A 75 13.576 -5.005 5.465 1.00 52.52 C ATOM 1103 C LEU A 75 14.182 -3.905 6.365 1.00 1.53 C ATOM 1104 O LEU A 75 14.045 -2.714 6.093 1.00 22.04 O ATOM 1105 CB LEU A 75 12.109 -5.341 5.874 1.00 25.03 C ATOM 1106 CG LEU A 75 10.961 -4.489 5.218 1.00 72.34 C ATOM 1107 CD1 LEU A 75 9.616 -4.883 5.754 1.00 2.13 C ATOM 1108 CD2 LEU A 75 11.154 -3.000 5.387 1.00 21.44 C ATOM 0 H LEU A 75 13.969 -6.989 5.954 1.00 21.33 H new ATOM 0 HA LEU A 75 13.535 -4.646 4.437 1.00 52.52 H new ATOM 0 HB2 LEU A 75 11.926 -6.390 5.640 1.00 25.03 H new ATOM 0 HB3 LEU A 75 12.029 -5.237 6.956 1.00 25.03 H new ATOM 0 HG LEU A 75 11.008 -4.707 4.151 1.00 72.34 H new ATOM 0 HD11 LEU A 75 8.844 -4.276 5.281 1.00 2.13 H new ATOM 0 HD12 LEU A 75 9.433 -5.936 5.539 1.00 2.13 H new ATOM 0 HD13 LEU A 75 9.593 -4.724 6.832 1.00 2.13 H new ATOM 0 HD21 LEU A 75 10.328 -2.470 4.912 1.00 21.44 H new ATOM 0 HD22 LEU A 75 11.180 -2.755 6.449 1.00 21.44 H new ATOM 0 HD23 LEU A 75 12.093 -2.700 4.922 1.00 21.44 H new ATOM 1120 N ASN A 76 14.904 -4.331 7.423 1.00 23.30 N ATOM 1121 CA ASN A 76 15.560 -3.389 8.340 1.00 74.12 C ATOM 1122 C ASN A 76 16.509 -2.444 7.629 1.00 75.04 C ATOM 1123 O ASN A 76 16.724 -1.346 8.098 1.00 4.34 O ATOM 1124 CB ASN A 76 16.296 -4.037 9.536 1.00 50.52 C ATOM 1125 CG ASN A 76 15.396 -4.772 10.499 1.00 33.51 C ATOM 1126 OD1 ASN A 76 15.350 -6.053 10.377 1.00 44.02 O flip ATOM 1127 ND2 ASN A 76 14.799 -4.180 11.394 1.00 34.34 N flip ATOM 0 H ASN A 76 15.044 -5.314 7.658 1.00 23.30 H new ATOM 0 HA ASN A 76 14.720 -2.829 8.750 1.00 74.12 H new ATOM 0 HB2 ASN A 76 17.043 -4.732 9.153 1.00 50.52 H new ATOM 0 HB3 ASN A 76 16.833 -3.260 10.080 1.00 50.52 H new ATOM 0 HD21 ASN A 76 14.858 -3.164 11.461 1.00 34.34 H new ATOM 0 HD22 ASN A 76 14.244 -4.704 12.071 1.00 34.34 H new ATOM 1134 N ASN A 77 17.084 -2.855 6.498 1.00 40.31 N ATOM 1135 CA ASN A 77 18.015 -1.970 5.799 1.00 60.25 C ATOM 1136 C ASN A 77 17.230 -0.830 5.136 1.00 3.34 C ATOM 1137 O ASN A 77 17.649 0.315 5.149 1.00 4.32 O ATOM 1138 CB ASN A 77 18.888 -2.735 4.784 1.00 44.25 C ATOM 1139 CG ASN A 77 20.076 -1.910 4.229 1.00 40.11 C ATOM 1140 OD1 ASN A 77 20.018 -0.687 4.080 1.00 50.24 O ATOM 1141 ND2 ASN A 77 21.164 -2.577 3.952 1.00 45.23 N ATOM 0 H ASN A 77 16.929 -3.762 6.059 1.00 40.31 H new ATOM 0 HA ASN A 77 18.706 -1.544 6.526 1.00 60.25 H new ATOM 0 HB2 ASN A 77 19.275 -3.636 5.259 1.00 44.25 H new ATOM 0 HB3 ASN A 77 18.262 -3.057 3.952 1.00 44.25 H new ATOM 0 HD21 ASN A 77 21.988 -2.087 3.605 1.00 45.23 H new ATOM 0 HD22 ASN A 77 21.189 -3.588 4.083 1.00 45.23 H new ATOM 1148 N PHE A 78 16.048 -1.142 4.614 1.00 62.32 N ATOM 1149 CA PHE A 78 15.191 -0.109 4.030 1.00 64.32 C ATOM 1150 C PHE A 78 14.648 0.772 5.159 1.00 53.34 C ATOM 1151 O PHE A 78 14.367 1.951 4.975 1.00 41.15 O ATOM 1152 CB PHE A 78 13.997 -0.723 3.273 1.00 54.13 C ATOM 1153 CG PHE A 78 14.336 -1.652 2.157 1.00 41.21 C ATOM 1154 CD1 PHE A 78 14.695 -1.171 0.925 1.00 51.15 C ATOM 1155 CD2 PHE A 78 14.287 -3.008 2.348 1.00 5.11 C ATOM 1156 CE1 PHE A 78 15.013 -2.034 -0.103 1.00 52.15 C ATOM 1157 CE2 PHE A 78 14.596 -3.880 1.334 1.00 23.14 C ATOM 1158 CZ PHE A 78 14.964 -3.391 0.100 1.00 61.22 C ATOM 0 H PHE A 78 15.663 -2.086 4.582 1.00 62.32 H new ATOM 0 HA PHE A 78 15.786 0.470 3.324 1.00 64.32 H new ATOM 0 HB2 PHE A 78 13.376 -1.260 3.990 1.00 54.13 H new ATOM 0 HB3 PHE A 78 13.391 0.089 2.871 1.00 54.13 H new ATOM 0 HD1 PHE A 78 14.729 -0.105 0.757 1.00 51.15 H new ATOM 0 HD2 PHE A 78 14.000 -3.398 3.314 1.00 5.11 H new ATOM 0 HE1 PHE A 78 15.301 -1.642 -1.068 1.00 52.15 H new ATOM 0 HE2 PHE A 78 14.551 -4.946 1.503 1.00 23.14 H new ATOM 0 HZ PHE A 78 15.212 -4.070 -0.702 1.00 61.22 H new ATOM 1168 N ASP A 79 14.492 0.155 6.313 1.00 52.42 N ATOM 1169 CA ASP A 79 13.986 0.799 7.531 1.00 52.54 C ATOM 1170 C ASP A 79 15.018 1.732 8.171 1.00 22.03 C ATOM 1171 O ASP A 79 14.681 2.824 8.632 1.00 65.04 O ATOM 1172 CB ASP A 79 13.584 -0.277 8.531 1.00 14.54 C ATOM 1173 CG ASP A 79 13.122 0.276 9.853 1.00 21.02 C ATOM 1174 OD1 ASP A 79 11.940 0.632 9.985 1.00 50.33 O ATOM 1175 OD2 ASP A 79 13.946 0.350 10.787 1.00 0.24 O ATOM 0 H ASP A 79 14.716 -0.831 6.444 1.00 52.42 H new ATOM 0 HA ASP A 79 13.127 1.409 7.252 1.00 52.54 H new ATOM 0 HB2 ASP A 79 12.786 -0.883 8.100 1.00 14.54 H new ATOM 0 HB3 ASP A 79 14.432 -0.940 8.700 1.00 14.54 H new ATOM 1180 N VAL A 80 16.280 1.292 8.194 1.00 23.42 N ATOM 1181 CA VAL A 80 17.372 2.054 8.815 1.00 41.02 C ATOM 1182 C VAL A 80 17.636 3.332 8.030 1.00 71.42 C ATOM 1183 O VAL A 80 18.246 4.280 8.541 1.00 14.23 O ATOM 1184 CB VAL A 80 18.685 1.212 8.994 1.00 31.21 C ATOM 1185 CG1 VAL A 80 19.330 0.871 7.672 1.00 3.11 C ATOM 1186 CG2 VAL A 80 19.671 1.892 9.937 1.00 22.54 C ATOM 0 H VAL A 80 16.574 0.404 7.786 1.00 23.42 H new ATOM 0 HA VAL A 80 17.047 2.317 9.821 1.00 41.02 H new ATOM 0 HB VAL A 80 18.389 0.270 9.456 1.00 31.21 H new ATOM 0 HG11 VAL A 80 20.234 0.288 7.848 1.00 3.11 H new ATOM 0 HG12 VAL A 80 18.635 0.288 7.068 1.00 3.11 H new ATOM 0 HG13 VAL A 80 19.587 1.790 7.145 1.00 3.11 H new ATOM 0 HG21 VAL A 80 20.566 1.277 10.033 1.00 22.54 H new ATOM 0 HG22 VAL A 80 19.943 2.868 9.536 1.00 22.54 H new ATOM 0 HG23 VAL A 80 19.210 2.018 10.917 1.00 22.54 H new ATOM 1196 N ILE A 81 17.215 3.329 6.763 1.00 74.11 N ATOM 1197 CA ILE A 81 17.241 4.521 5.962 1.00 71.22 C ATOM 1198 C ILE A 81 16.416 5.582 6.689 1.00 64.32 C ATOM 1199 O ILE A 81 15.205 5.418 6.903 1.00 22.45 O ATOM 1200 CB ILE A 81 16.669 4.272 4.546 1.00 25.32 C ATOM 1201 CG1 ILE A 81 17.534 3.254 3.786 1.00 21.10 C ATOM 1202 CG2 ILE A 81 16.571 5.573 3.778 1.00 23.30 C ATOM 1203 CD1 ILE A 81 17.030 2.933 2.390 1.00 23.44 C ATOM 0 H ILE A 81 16.854 2.505 6.283 1.00 74.11 H new ATOM 0 HA ILE A 81 18.272 4.850 5.831 1.00 71.22 H new ATOM 0 HB ILE A 81 15.666 3.858 4.646 1.00 25.32 H new ATOM 0 HG12 ILE A 81 18.551 3.639 3.714 1.00 21.10 H new ATOM 0 HG13 ILE A 81 17.583 2.331 4.364 1.00 21.10 H new ATOM 0 HG21 ILE A 81 16.167 5.379 2.784 1.00 23.30 H new ATOM 0 HG22 ILE A 81 15.913 6.261 4.310 1.00 23.30 H new ATOM 0 HG23 ILE A 81 17.562 6.017 3.686 1.00 23.30 H new ATOM 0 HD11 ILE A 81 17.695 2.208 1.921 1.00 23.44 H new ATOM 0 HD12 ILE A 81 16.025 2.516 2.453 1.00 23.44 H new ATOM 0 HD13 ILE A 81 17.008 3.844 1.793 1.00 23.44 H new ATOM 1215 N GLU A 82 17.081 6.627 7.076 1.00 32.24 N ATOM 1216 CA GLU A 82 16.518 7.634 7.921 1.00 62.05 C ATOM 1217 C GLU A 82 15.476 8.505 7.242 1.00 12.12 C ATOM 1218 O GLU A 82 15.741 9.186 6.238 1.00 53.23 O ATOM 1219 CB GLU A 82 17.600 8.458 8.673 1.00 4.13 C ATOM 1220 CG GLU A 82 18.689 9.120 7.808 1.00 11.21 C ATOM 1221 CD GLU A 82 19.607 8.129 7.119 1.00 70.53 C ATOM 1222 OE1 GLU A 82 20.616 7.701 7.724 1.00 24.43 O ATOM 1223 OE2 GLU A 82 19.333 7.750 5.967 1.00 12.45 O ATOM 0 H GLU A 82 18.049 6.807 6.808 1.00 32.24 H new ATOM 0 HA GLU A 82 15.964 7.085 8.682 1.00 62.05 H new ATOM 0 HB2 GLU A 82 17.098 9.239 9.244 1.00 4.13 H new ATOM 0 HB3 GLU A 82 18.089 7.801 9.392 1.00 4.13 H new ATOM 0 HG2 GLU A 82 18.211 9.744 7.053 1.00 11.21 H new ATOM 0 HG3 GLU A 82 19.287 9.780 8.436 1.00 11.21 H new ATOM 1230 N GLY A 83 14.297 8.445 7.799 1.00 13.22 N ATOM 1231 CA GLY A 83 13.177 9.214 7.373 1.00 10.15 C ATOM 1232 C GLY A 83 12.309 9.448 8.562 1.00 23.32 C ATOM 1233 O GLY A 83 11.362 8.715 8.816 1.00 75.33 O ATOM 0 H GLY A 83 14.091 7.835 8.590 1.00 13.22 H new ATOM 0 HA2 GLY A 83 13.504 10.162 6.946 1.00 10.15 H new ATOM 0 HA3 GLY A 83 12.625 8.687 6.594 1.00 10.15 H new ATOM 1237 N ASN A 84 12.630 10.480 9.267 1.00 52.53 N ATOM 1238 CA ASN A 84 12.057 10.780 10.586 1.00 22.53 C ATOM 1239 C ASN A 84 10.600 11.081 10.488 1.00 55.35 C ATOM 1240 O ASN A 84 9.802 10.675 11.339 1.00 63.53 O ATOM 1241 CB ASN A 84 12.746 12.002 11.217 1.00 11.23 C ATOM 1242 CG ASN A 84 14.239 11.854 11.397 1.00 61.42 C ATOM 1243 OD1 ASN A 84 14.758 10.756 11.590 1.00 44.13 O ATOM 1244 ND2 ASN A 84 14.943 12.961 11.331 1.00 11.33 N ATOM 0 H ASN A 84 13.313 11.171 8.956 1.00 52.53 H new ATOM 0 HA ASN A 84 12.212 9.896 11.204 1.00 22.53 H new ATOM 0 HB2 ASN A 84 12.552 12.875 10.594 1.00 11.23 H new ATOM 0 HB3 ASN A 84 12.293 12.198 12.189 1.00 11.23 H new ATOM 0 HD21 ASN A 84 15.956 12.928 11.441 1.00 11.33 H new ATOM 0 HD22 ASN A 84 14.476 13.853 11.169 1.00 11.33 H new ATOM 1251 N ASP A 85 10.248 11.771 9.443 1.00 24.43 N ATOM 1252 CA ASP A 85 8.908 12.242 9.270 1.00 75.40 C ATOM 1253 C ASP A 85 8.055 11.260 8.501 1.00 2.31 C ATOM 1254 O ASP A 85 6.939 11.581 8.139 1.00 42.53 O ATOM 1255 CB ASP A 85 8.883 13.615 8.601 1.00 22.02 C ATOM 1256 CG ASP A 85 9.580 14.710 9.385 1.00 12.14 C ATOM 1257 OD1 ASP A 85 10.807 14.917 9.187 1.00 55.51 O ATOM 1258 OD2 ASP A 85 8.921 15.390 10.192 1.00 70.20 O ATOM 0 H ASP A 85 10.884 12.023 8.686 1.00 24.43 H new ATOM 0 HA ASP A 85 8.479 12.339 10.267 1.00 75.40 H new ATOM 0 HB2 ASP A 85 9.350 13.535 7.619 1.00 22.02 H new ATOM 0 HB3 ASP A 85 7.846 13.907 8.438 1.00 22.02 H new ATOM 1263 N TYR A 86 8.555 10.070 8.247 1.00 33.31 N ATOM 1264 CA TYR A 86 7.716 9.062 7.664 1.00 63.14 C ATOM 1265 C TYR A 86 7.692 7.778 8.494 1.00 44.31 C ATOM 1266 O TYR A 86 8.598 7.548 9.302 1.00 3.04 O ATOM 1267 CB TYR A 86 7.932 8.804 6.151 1.00 72.05 C ATOM 1268 CG TYR A 86 9.311 8.442 5.654 1.00 11.51 C ATOM 1269 CD1 TYR A 86 10.069 7.446 6.234 1.00 50.24 C ATOM 1270 CD2 TYR A 86 9.810 9.072 4.531 1.00 12.13 C ATOM 1271 CE1 TYR A 86 11.293 7.084 5.714 1.00 73.52 C ATOM 1272 CE2 TYR A 86 11.042 8.732 4.004 1.00 71.21 C ATOM 1273 CZ TYR A 86 11.780 7.733 4.599 1.00 3.34 C ATOM 1274 OH TYR A 86 13.002 7.370 4.069 1.00 62.31 O ATOM 0 H TYR A 86 9.517 9.787 8.432 1.00 33.31 H new ATOM 0 HA TYR A 86 6.715 9.491 7.702 1.00 63.14 H new ATOM 0 HB2 TYR A 86 7.256 8.002 5.855 1.00 72.05 H new ATOM 0 HB3 TYR A 86 7.616 9.700 5.617 1.00 72.05 H new ATOM 0 HD1 TYR A 86 9.696 6.940 7.112 1.00 50.24 H new ATOM 0 HD2 TYR A 86 9.226 9.846 4.055 1.00 12.13 H new ATOM 0 HE1 TYR A 86 11.868 6.296 6.178 1.00 73.52 H new ATOM 0 HE2 TYR A 86 11.422 9.245 3.133 1.00 71.21 H new ATOM 0 HH TYR A 86 13.196 7.925 3.285 1.00 62.31 H new ATOM 1284 N GLU A 87 6.653 6.971 8.329 1.00 34.24 N ATOM 1285 CA GLU A 87 6.523 5.720 9.079 1.00 31.03 C ATOM 1286 C GLU A 87 6.275 4.544 8.128 1.00 32.20 C ATOM 1287 O GLU A 87 5.816 4.739 6.991 1.00 35.43 O ATOM 1288 CB GLU A 87 5.394 5.809 10.131 1.00 72.14 C ATOM 1289 CG GLU A 87 3.993 5.996 9.562 1.00 61.33 C ATOM 1290 CD GLU A 87 2.925 5.998 10.635 1.00 15.20 C ATOM 1291 OE1 GLU A 87 2.691 7.043 11.258 1.00 44.22 O ATOM 1292 OE2 GLU A 87 2.297 4.942 10.870 1.00 32.42 O ATOM 0 H GLU A 87 5.885 7.156 7.683 1.00 34.24 H new ATOM 0 HA GLU A 87 7.461 5.551 9.607 1.00 31.03 H new ATOM 0 HB2 GLU A 87 5.407 4.900 10.732 1.00 72.14 H new ATOM 0 HB3 GLU A 87 5.610 6.639 10.803 1.00 72.14 H new ATOM 0 HG2 GLU A 87 3.951 6.935 9.011 1.00 61.33 H new ATOM 0 HG3 GLU A 87 3.785 5.198 8.849 1.00 61.33 H new ATOM 1299 N ARG A 88 6.574 3.340 8.592 1.00 24.41 N ATOM 1300 CA ARG A 88 6.417 2.138 7.799 1.00 11.53 C ATOM 1301 C ARG A 88 5.063 1.497 8.058 1.00 73.43 C ATOM 1302 O ARG A 88 4.805 0.969 9.146 1.00 73.11 O ATOM 1303 CB ARG A 88 7.518 1.150 8.124 1.00 34.44 C ATOM 1304 CG ARG A 88 7.500 -0.069 7.231 1.00 75.12 C ATOM 1305 CD ARG A 88 8.683 -0.944 7.505 1.00 74.35 C ATOM 1306 NE ARG A 88 8.665 -1.520 8.861 1.00 43.34 N ATOM 1307 CZ ARG A 88 9.680 -2.186 9.435 1.00 12.41 C ATOM 1308 NH1 ARG A 88 10.838 -2.320 8.806 1.00 64.13 N ATOM 1309 NH2 ARG A 88 9.529 -2.707 10.645 1.00 72.42 N ATOM 0 H ARG A 88 6.933 3.172 9.532 1.00 24.41 H new ATOM 0 HA ARG A 88 6.479 2.414 6.746 1.00 11.53 H new ATOM 0 HB2 ARG A 88 8.484 1.647 8.031 1.00 34.44 H new ATOM 0 HB3 ARG A 88 7.420 0.834 9.163 1.00 34.44 H new ATOM 0 HG2 ARG A 88 6.580 -0.631 7.393 1.00 75.12 H new ATOM 0 HG3 ARG A 88 7.504 0.240 6.186 1.00 75.12 H new ATOM 0 HD2 ARG A 88 8.710 -1.751 6.773 1.00 74.35 H new ATOM 0 HD3 ARG A 88 9.596 -0.364 7.374 1.00 74.35 H new ATOM 0 HE ARG A 88 7.812 -1.403 9.408 1.00 43.34 H new ATOM 0 HH11 ARG A 88 10.964 -1.916 7.878 1.00 64.13 H new ATOM 0 HH12 ARG A 88 11.604 -2.827 9.250 1.00 64.13 H new ATOM 0 HH21 ARG A 88 8.643 -2.602 11.139 1.00 72.42 H new ATOM 0 HH22 ARG A 88 10.299 -3.213 11.082 1.00 72.42 H new ATOM 1323 N VAL A 89 4.205 1.540 7.073 1.00 4.42 N ATOM 1324 CA VAL A 89 2.861 0.999 7.191 1.00 64.25 C ATOM 1325 C VAL A 89 2.590 -0.025 6.116 1.00 54.43 C ATOM 1326 O VAL A 89 3.270 -0.056 5.098 1.00 23.34 O ATOM 1327 CB VAL A 89 1.774 2.099 7.104 1.00 15.45 C ATOM 1328 CG1 VAL A 89 1.875 3.052 8.270 1.00 24.22 C ATOM 1329 CG2 VAL A 89 1.876 2.859 5.790 1.00 53.33 C ATOM 0 H VAL A 89 4.411 1.950 6.162 1.00 4.42 H new ATOM 0 HA VAL A 89 2.811 0.532 8.174 1.00 64.25 H new ATOM 0 HB VAL A 89 0.801 1.609 7.145 1.00 15.45 H new ATOM 0 HG11 VAL A 89 1.101 3.814 8.185 1.00 24.22 H new ATOM 0 HG12 VAL A 89 1.742 2.502 9.202 1.00 24.22 H new ATOM 0 HG13 VAL A 89 2.855 3.528 8.267 1.00 24.22 H new ATOM 0 HG21 VAL A 89 1.102 3.626 5.752 1.00 53.33 H new ATOM 0 HG22 VAL A 89 2.857 3.329 5.717 1.00 53.33 H new ATOM 0 HG23 VAL A 89 1.742 2.167 4.958 1.00 53.33 H new ATOM 1339 N THR A 90 1.621 -0.854 6.354 1.00 12.33 N ATOM 1340 CA THR A 90 1.197 -1.822 5.396 1.00 42.44 C ATOM 1341 C THR A 90 -0.063 -1.302 4.653 1.00 24.41 C ATOM 1342 O THR A 90 -1.064 -0.942 5.272 1.00 54.34 O ATOM 1343 CB THR A 90 0.929 -3.186 6.081 1.00 25.33 C ATOM 1344 OG1 THR A 90 2.153 -3.677 6.695 1.00 22.34 O ATOM 1345 CG2 THR A 90 0.431 -4.208 5.092 1.00 3.40 C ATOM 0 H THR A 90 1.098 -0.876 7.229 1.00 12.33 H new ATOM 0 HA THR A 90 1.990 -1.976 4.664 1.00 42.44 H new ATOM 0 HB THR A 90 0.162 -3.034 6.840 1.00 25.33 H new ATOM 0 HG1 THR A 90 2.751 -4.025 6.001 1.00 22.34 H new ATOM 0 HG21 THR A 90 0.253 -5.153 5.604 1.00 3.40 H new ATOM 0 HG22 THR A 90 -0.499 -3.857 4.643 1.00 3.40 H new ATOM 0 HG23 THR A 90 1.178 -4.353 4.312 1.00 3.40 H new ATOM 1353 N VAL A 91 0.029 -1.251 3.350 1.00 73.44 N ATOM 1354 CA VAL A 91 -1.014 -0.763 2.461 1.00 22.10 C ATOM 1355 C VAL A 91 -1.310 -1.847 1.438 1.00 62.44 C ATOM 1356 O VAL A 91 -0.459 -2.693 1.173 1.00 61.30 O ATOM 1357 CB VAL A 91 -0.549 0.523 1.737 1.00 50.32 C ATOM 1358 CG1 VAL A 91 -0.303 1.636 2.747 1.00 21.43 C ATOM 1359 CG2 VAL A 91 0.717 0.240 0.933 1.00 4.02 C ATOM 0 H VAL A 91 0.863 -1.559 2.851 1.00 73.44 H new ATOM 0 HA VAL A 91 -1.908 -0.526 3.037 1.00 22.10 H new ATOM 0 HB VAL A 91 -1.332 0.847 1.052 1.00 50.32 H new ATOM 0 HG11 VAL A 91 0.024 2.535 2.225 1.00 21.43 H new ATOM 0 HG12 VAL A 91 -1.225 1.846 3.289 1.00 21.43 H new ATOM 0 HG13 VAL A 91 0.469 1.325 3.451 1.00 21.43 H new ATOM 0 HG21 VAL A 91 1.037 1.150 0.427 1.00 4.02 H new ATOM 0 HG22 VAL A 91 1.506 -0.099 1.604 1.00 4.02 H new ATOM 0 HG23 VAL A 91 0.513 -0.534 0.193 1.00 4.02 H new ATOM 1369 N GLU A 92 -2.472 -1.852 0.875 1.00 43.41 N ATOM 1370 CA GLU A 92 -2.816 -2.902 -0.040 1.00 10.23 C ATOM 1371 C GLU A 92 -2.775 -2.392 -1.471 1.00 75.34 C ATOM 1372 O GLU A 92 -3.396 -1.379 -1.813 1.00 0.45 O ATOM 1373 CB GLU A 92 -4.165 -3.518 0.346 1.00 15.14 C ATOM 1374 CG GLU A 92 -4.487 -4.811 -0.346 1.00 4.13 C ATOM 1375 CD GLU A 92 -5.782 -5.401 0.145 1.00 31.14 C ATOM 1376 OE1 GLU A 92 -5.785 -6.053 1.206 1.00 64.32 O ATOM 1377 OE2 GLU A 92 -6.817 -5.222 -0.503 1.00 55.11 O ATOM 0 H GLU A 92 -3.197 -1.151 1.026 1.00 43.41 H new ATOM 0 HA GLU A 92 -2.078 -3.702 0.022 1.00 10.23 H new ATOM 0 HB2 GLU A 92 -4.177 -3.686 1.423 1.00 15.14 H new ATOM 0 HB3 GLU A 92 -4.954 -2.798 0.126 1.00 15.14 H new ATOM 0 HG2 GLU A 92 -4.549 -4.642 -1.421 1.00 4.13 H new ATOM 0 HG3 GLU A 92 -3.678 -5.523 -0.181 1.00 4.13 H new ATOM 1384 N VAL A 93 -2.045 -3.099 -2.300 1.00 21.12 N ATOM 1385 CA VAL A 93 -1.819 -2.714 -3.659 1.00 41.22 C ATOM 1386 C VAL A 93 -2.199 -3.859 -4.563 1.00 34.22 C ATOM 1387 O VAL A 93 -2.429 -4.982 -4.111 1.00 4.52 O ATOM 1388 CB VAL A 93 -0.298 -2.395 -3.927 1.00 72.55 C ATOM 1389 CG1 VAL A 93 0.224 -1.341 -2.993 1.00 24.23 C ATOM 1390 CG2 VAL A 93 0.572 -3.639 -3.852 1.00 74.22 C ATOM 0 H VAL A 93 -1.587 -3.972 -2.038 1.00 21.12 H new ATOM 0 HA VAL A 93 -2.417 -1.823 -3.853 1.00 41.22 H new ATOM 0 HB VAL A 93 -0.244 -2.009 -4.945 1.00 72.55 H new ATOM 0 HG11 VAL A 93 1.275 -1.150 -3.210 1.00 24.23 H new ATOM 0 HG12 VAL A 93 -0.347 -0.422 -3.126 1.00 24.23 H new ATOM 0 HG13 VAL A 93 0.123 -1.685 -1.964 1.00 24.23 H new ATOM 0 HG21 VAL A 93 1.610 -3.369 -4.043 1.00 74.22 H new ATOM 0 HG22 VAL A 93 0.489 -4.082 -2.859 1.00 74.22 H new ATOM 0 HG23 VAL A 93 0.241 -4.360 -4.599 1.00 74.22 H new ATOM 1400 N VAL A 94 -2.280 -3.587 -5.807 1.00 62.25 N ATOM 1401 CA VAL A 94 -2.489 -4.615 -6.765 1.00 42.51 C ATOM 1402 C VAL A 94 -1.225 -4.830 -7.504 1.00 42.32 C ATOM 1403 O VAL A 94 -0.686 -3.894 -8.076 1.00 64.24 O ATOM 1404 CB VAL A 94 -3.623 -4.287 -7.752 1.00 53.15 C ATOM 1405 CG1 VAL A 94 -3.666 -5.313 -8.889 1.00 52.25 C ATOM 1406 CG2 VAL A 94 -4.945 -4.288 -7.025 1.00 72.31 C ATOM 0 H VAL A 94 -2.204 -2.648 -6.197 1.00 62.25 H new ATOM 0 HA VAL A 94 -2.790 -5.517 -6.233 1.00 42.51 H new ATOM 0 HB VAL A 94 -3.436 -3.301 -8.177 1.00 53.15 H new ATOM 0 HG11 VAL A 94 -4.475 -5.062 -9.575 1.00 52.25 H new ATOM 0 HG12 VAL A 94 -2.718 -5.301 -9.426 1.00 52.25 H new ATOM 0 HG13 VAL A 94 -3.836 -6.307 -8.476 1.00 52.25 H new ATOM 0 HG21 VAL A 94 -5.746 -4.055 -7.727 1.00 72.31 H new ATOM 0 HG22 VAL A 94 -5.119 -5.271 -6.588 1.00 72.31 H new ATOM 0 HG23 VAL A 94 -4.926 -3.538 -6.234 1.00 72.31 H new ATOM 1416 N ARG A 95 -0.744 -6.050 -7.474 1.00 70.10 N ATOM 1417 CA ARG A 95 0.444 -6.431 -8.165 1.00 34.21 C ATOM 1418 C ARG A 95 0.115 -6.500 -9.654 1.00 73.22 C ATOM 1419 O ARG A 95 -0.246 -7.541 -10.178 1.00 51.40 O ATOM 1420 CB ARG A 95 0.985 -7.767 -7.618 1.00 51.33 C ATOM 1421 CG ARG A 95 2.298 -8.216 -8.223 1.00 3.21 C ATOM 1422 CD ARG A 95 2.773 -9.540 -7.629 1.00 3.55 C ATOM 1423 NE ARG A 95 3.057 -9.465 -6.180 1.00 32.11 N ATOM 1424 CZ ARG A 95 3.328 -10.536 -5.408 1.00 13.21 C ATOM 1425 NH1 ARG A 95 3.287 -11.756 -5.920 1.00 1.32 N ATOM 1426 NH2 ARG A 95 3.647 -10.385 -4.130 1.00 61.12 N ATOM 0 H ARG A 95 -1.182 -6.812 -6.957 1.00 70.10 H new ATOM 0 HA ARG A 95 1.236 -5.699 -8.010 1.00 34.21 H new ATOM 0 HB2 ARG A 95 1.110 -7.678 -6.539 1.00 51.33 H new ATOM 0 HB3 ARG A 95 0.238 -8.542 -7.789 1.00 51.33 H new ATOM 0 HG2 ARG A 95 2.184 -8.322 -9.302 1.00 3.21 H new ATOM 0 HG3 ARG A 95 3.056 -7.450 -8.056 1.00 3.21 H new ATOM 0 HD2 ARG A 95 2.013 -10.302 -7.804 1.00 3.55 H new ATOM 0 HD3 ARG A 95 3.673 -9.862 -8.152 1.00 3.55 H new ATOM 0 HE ARG A 95 3.047 -8.546 -5.737 1.00 32.11 H new ATOM 0 HH11 ARG A 95 3.050 -11.889 -6.903 1.00 1.32 H new ATOM 0 HH12 ARG A 95 3.493 -12.563 -5.331 1.00 1.32 H new ATOM 0 HH21 ARG A 95 3.689 -9.451 -3.722 1.00 61.12 H new ATOM 0 HH22 ARG A 95 3.850 -11.203 -3.555 1.00 61.12 H new ATOM 1440 N MET A 96 0.186 -5.335 -10.264 1.00 34.22 N ATOM 1441 CA MET A 96 -0.193 -5.013 -11.645 1.00 14.53 C ATOM 1442 C MET A 96 0.178 -6.085 -12.654 1.00 31.04 C ATOM 1443 O MET A 96 -0.677 -6.535 -13.415 1.00 72.54 O ATOM 1444 CB MET A 96 0.465 -3.680 -12.026 1.00 33.20 C ATOM 1445 CG MET A 96 0.186 -3.189 -13.424 1.00 21.15 C ATOM 1446 SD MET A 96 1.104 -1.683 -13.804 1.00 3.44 S ATOM 1447 CE MET A 96 0.560 -1.369 -15.477 1.00 75.33 C ATOM 0 H MET A 96 0.539 -4.513 -9.774 1.00 34.22 H new ATOM 0 HA MET A 96 -1.280 -4.947 -11.678 1.00 14.53 H new ATOM 0 HB2 MET A 96 0.134 -2.918 -11.320 1.00 33.20 H new ATOM 0 HB3 MET A 96 1.544 -3.780 -11.904 1.00 33.20 H new ATOM 0 HG2 MET A 96 0.450 -3.966 -14.141 1.00 21.15 H new ATOM 0 HG3 MET A 96 -0.882 -3.001 -13.537 1.00 21.15 H new ATOM 0 HE1 MET A 96 1.042 -0.466 -15.853 1.00 75.33 H new ATOM 0 HE2 MET A 96 0.827 -2.214 -16.111 1.00 75.33 H new ATOM 0 HE3 MET A 96 -0.522 -1.235 -15.489 1.00 75.33 H new ATOM 1457 N ASP A 97 1.428 -6.504 -12.646 1.00 52.12 N ATOM 1458 CA ASP A 97 1.921 -7.489 -13.621 1.00 2.35 C ATOM 1459 C ASP A 97 1.167 -8.817 -13.528 1.00 15.13 C ATOM 1460 O ASP A 97 0.884 -9.449 -14.538 1.00 0.54 O ATOM 1461 CB ASP A 97 3.423 -7.719 -13.454 1.00 53.11 C ATOM 1462 CG ASP A 97 3.998 -8.667 -14.491 1.00 72.14 C ATOM 1463 OD1 ASP A 97 4.374 -8.205 -15.594 1.00 23.32 O ATOM 1464 OD2 ASP A 97 4.113 -9.873 -14.213 1.00 20.21 O ATOM 0 H ASP A 97 2.131 -6.184 -11.979 1.00 52.12 H new ATOM 0 HA ASP A 97 1.737 -7.074 -14.612 1.00 2.35 H new ATOM 0 HB2 ASP A 97 3.941 -6.762 -13.518 1.00 53.11 H new ATOM 0 HB3 ASP A 97 3.615 -8.119 -12.458 1.00 53.11 H new ATOM 1469 N ASN A 98 0.808 -9.209 -12.321 1.00 40.15 N ATOM 1470 CA ASN A 98 0.120 -10.488 -12.093 1.00 44.15 C ATOM 1471 C ASN A 98 -1.386 -10.277 -11.933 1.00 24.03 C ATOM 1472 O ASN A 98 -2.160 -11.236 -11.887 1.00 72.54 O ATOM 1473 CB ASN A 98 0.678 -11.171 -10.837 1.00 2.11 C ATOM 1474 CG ASN A 98 2.163 -11.472 -10.925 1.00 3.04 C ATOM 1475 OD1 ASN A 98 2.992 -10.635 -10.571 1.00 65.22 O ATOM 1476 ND2 ASN A 98 2.512 -12.653 -11.366 1.00 0.13 N ATOM 0 H ASN A 98 0.977 -8.666 -11.474 1.00 40.15 H new ATOM 0 HA ASN A 98 0.293 -11.124 -12.961 1.00 44.15 H new ATOM 0 HB2 ASN A 98 0.495 -10.532 -9.973 1.00 2.11 H new ATOM 0 HB3 ASN A 98 0.136 -12.101 -10.667 1.00 2.11 H new ATOM 0 HD21 ASN A 98 3.499 -12.904 -11.425 1.00 0.13 H new ATOM 0 HD22 ASN A 98 1.797 -13.323 -11.651 1.00 0.13 H new ATOM 1483 N SER A 99 -1.779 -9.006 -11.828 1.00 60.22 N ATOM 1484 CA SER A 99 -3.170 -8.564 -11.683 1.00 54.24 C ATOM 1485 C SER A 99 -3.803 -9.068 -10.351 1.00 2.31 C ATOM 1486 O SER A 99 -5.033 -9.091 -10.201 1.00 21.42 O ATOM 1487 CB SER A 99 -4.007 -8.999 -12.917 1.00 5.42 C ATOM 1488 OG SER A 99 -5.325 -8.454 -12.880 1.00 73.01 O ATOM 0 H SER A 99 -1.117 -8.230 -11.842 1.00 60.22 H new ATOM 0 HA SER A 99 -3.174 -7.475 -11.636 1.00 54.24 H new ATOM 0 HB2 SER A 99 -3.505 -8.676 -13.829 1.00 5.42 H new ATOM 0 HB3 SER A 99 -4.064 -10.087 -12.953 1.00 5.42 H new ATOM 0 HG SER A 99 -5.668 -8.488 -11.962 1.00 73.01 H new ATOM 1494 N GLU A 100 -2.968 -9.416 -9.385 1.00 22.24 N ATOM 1495 CA GLU A 100 -3.441 -9.917 -8.110 1.00 53.34 C ATOM 1496 C GLU A 100 -3.297 -8.857 -7.042 1.00 25.14 C ATOM 1497 O GLU A 100 -2.539 -7.925 -7.190 1.00 14.13 O ATOM 1498 CB GLU A 100 -2.682 -11.162 -7.709 1.00 43.51 C ATOM 1499 CG GLU A 100 -1.212 -10.925 -7.464 1.00 72.23 C ATOM 1500 CD GLU A 100 -0.472 -12.188 -7.102 1.00 2.43 C ATOM 1501 OE1 GLU A 100 -0.043 -12.923 -8.009 1.00 32.14 O ATOM 1502 OE2 GLU A 100 -0.310 -12.466 -5.914 1.00 4.54 O ATOM 0 H GLU A 100 -1.953 -9.359 -9.464 1.00 22.24 H new ATOM 0 HA GLU A 100 -4.495 -10.172 -8.215 1.00 53.34 H new ATOM 0 HB2 GLU A 100 -3.130 -11.574 -6.805 1.00 43.51 H new ATOM 0 HB3 GLU A 100 -2.794 -11.913 -8.491 1.00 43.51 H new ATOM 0 HG2 GLU A 100 -0.764 -10.490 -8.357 1.00 72.23 H new ATOM 0 HG3 GLU A 100 -1.094 -10.197 -6.661 1.00 72.23 H new ATOM 1509 N LYS A 101 -4.003 -9.020 -5.981 1.00 14.51 N ATOM 1510 CA LYS A 101 -3.997 -8.048 -4.909 1.00 54.00 C ATOM 1511 C LYS A 101 -3.082 -8.534 -3.798 1.00 14.42 C ATOM 1512 O LYS A 101 -3.172 -9.691 -3.374 1.00 44.24 O ATOM 1513 CB LYS A 101 -5.404 -7.847 -4.353 1.00 54.25 C ATOM 1514 CG LYS A 101 -6.458 -7.523 -5.397 1.00 65.31 C ATOM 1515 CD LYS A 101 -7.806 -7.316 -4.751 1.00 41.21 C ATOM 1516 CE LYS A 101 -8.870 -6.985 -5.774 1.00 4.23 C ATOM 1517 NZ LYS A 101 -10.177 -6.740 -5.136 1.00 24.14 N ATOM 0 H LYS A 101 -4.606 -9.826 -5.816 1.00 14.51 H new ATOM 0 HA LYS A 101 -3.639 -7.096 -5.302 1.00 54.00 H new ATOM 0 HB2 LYS A 101 -5.703 -8.751 -3.823 1.00 54.25 H new ATOM 0 HB3 LYS A 101 -5.379 -7.041 -3.620 1.00 54.25 H new ATOM 0 HG2 LYS A 101 -6.170 -6.625 -5.944 1.00 65.31 H new ATOM 0 HG3 LYS A 101 -6.518 -8.334 -6.123 1.00 65.31 H new ATOM 0 HD2 LYS A 101 -8.091 -8.216 -4.207 1.00 41.21 H new ATOM 0 HD3 LYS A 101 -7.740 -6.510 -4.020 1.00 41.21 H new ATOM 0 HE2 LYS A 101 -8.570 -6.103 -6.340 1.00 4.23 H new ATOM 0 HE3 LYS A 101 -8.960 -7.806 -6.486 1.00 4.23 H new ATOM 0 HZ1 LYS A 101 -10.883 -6.516 -5.866 1.00 24.14 H new ATOM 0 HZ2 LYS A 101 -10.474 -7.590 -4.616 1.00 24.14 H new ATOM 0 HZ3 LYS A 101 -10.096 -5.941 -4.475 1.00 24.14 H new ATOM 1531 N VAL A 102 -2.207 -7.674 -3.336 1.00 22.01 N ATOM 1532 CA VAL A 102 -1.269 -8.009 -2.285 1.00 14.13 C ATOM 1533 C VAL A 102 -1.148 -6.849 -1.311 1.00 10.12 C ATOM 1534 O VAL A 102 -1.159 -5.684 -1.712 1.00 21.34 O ATOM 1535 CB VAL A 102 0.150 -8.369 -2.839 1.00 11.25 C ATOM 1536 CG1 VAL A 102 0.117 -9.648 -3.665 1.00 71.31 C ATOM 1537 CG2 VAL A 102 0.711 -7.225 -3.672 1.00 60.54 C ATOM 0 H VAL A 102 -2.123 -6.717 -3.678 1.00 22.01 H new ATOM 0 HA VAL A 102 -1.660 -8.892 -1.779 1.00 14.13 H new ATOM 0 HB VAL A 102 0.802 -8.534 -1.982 1.00 11.25 H new ATOM 0 HG11 VAL A 102 1.119 -9.869 -4.034 1.00 71.31 H new ATOM 0 HG12 VAL A 102 -0.231 -10.473 -3.044 1.00 71.31 H new ATOM 0 HG13 VAL A 102 -0.561 -9.519 -4.509 1.00 71.31 H new ATOM 0 HG21 VAL A 102 1.698 -7.497 -4.047 1.00 60.54 H new ATOM 0 HG22 VAL A 102 0.046 -7.027 -4.512 1.00 60.54 H new ATOM 0 HG23 VAL A 102 0.792 -6.331 -3.054 1.00 60.54 H new ATOM 1547 N LYS A 103 -1.052 -7.142 -0.056 1.00 15.24 N ATOM 1548 CA LYS A 103 -0.925 -6.094 0.900 1.00 23.45 C ATOM 1549 C LYS A 103 0.526 -5.999 1.394 1.00 74.55 C ATOM 1550 O LYS A 103 1.068 -6.938 1.984 1.00 63.43 O ATOM 1551 CB LYS A 103 -2.005 -6.205 1.981 1.00 52.50 C ATOM 1552 CG LYS A 103 -2.008 -5.070 2.960 1.00 74.35 C ATOM 1553 CD LYS A 103 -3.329 -4.936 3.716 1.00 51.32 C ATOM 1554 CE LYS A 103 -3.789 -6.235 4.311 1.00 31.24 C ATOM 1555 NZ LYS A 103 -5.062 -6.077 5.049 1.00 22.54 N ATOM 0 H LYS A 103 -1.059 -8.087 0.328 1.00 15.24 H new ATOM 0 HA LYS A 103 -1.120 -5.126 0.438 1.00 23.45 H new ATOM 0 HB2 LYS A 103 -2.982 -6.259 1.500 1.00 52.50 H new ATOM 0 HB3 LYS A 103 -1.866 -7.139 2.524 1.00 52.50 H new ATOM 0 HG2 LYS A 103 -1.199 -5.213 3.676 1.00 74.35 H new ATOM 0 HG3 LYS A 103 -1.803 -4.140 2.430 1.00 74.35 H new ATOM 0 HD2 LYS A 103 -3.216 -4.197 4.509 1.00 51.32 H new ATOM 0 HD3 LYS A 103 -4.095 -4.560 3.038 1.00 51.32 H new ATOM 0 HE2 LYS A 103 -3.916 -6.973 3.519 1.00 31.24 H new ATOM 0 HE3 LYS A 103 -3.023 -6.619 4.985 1.00 31.24 H new ATOM 0 HZ1 LYS A 103 -5.349 -6.994 5.446 1.00 22.54 H new ATOM 0 HZ2 LYS A 103 -4.933 -5.391 5.820 1.00 22.54 H new ATOM 0 HZ3 LYS A 103 -5.799 -5.735 4.400 1.00 22.54 H new ATOM 1569 N VAL A 104 1.133 -4.855 1.132 1.00 2.01 N ATOM 1570 CA VAL A 104 2.577 -4.654 1.249 1.00 74.25 C ATOM 1571 C VAL A 104 2.927 -3.489 2.192 1.00 24.10 C ATOM 1572 O VAL A 104 2.058 -2.797 2.658 1.00 32.43 O ATOM 1573 CB VAL A 104 3.162 -4.340 -0.158 1.00 32.24 C ATOM 1574 CG1 VAL A 104 2.820 -5.440 -1.142 1.00 72.33 C ATOM 1575 CG2 VAL A 104 2.639 -3.013 -0.675 1.00 23.50 C ATOM 0 H VAL A 104 0.632 -4.021 0.826 1.00 2.01 H new ATOM 0 HA VAL A 104 3.004 -5.568 1.662 1.00 74.25 H new ATOM 0 HB VAL A 104 4.246 -4.279 -0.060 1.00 32.24 H new ATOM 0 HG11 VAL A 104 3.240 -5.198 -2.118 1.00 72.33 H new ATOM 0 HG12 VAL A 104 3.237 -6.384 -0.792 1.00 72.33 H new ATOM 0 HG13 VAL A 104 1.737 -5.530 -1.225 1.00 72.33 H new ATOM 0 HG21 VAL A 104 3.061 -2.814 -1.660 1.00 23.50 H new ATOM 0 HG22 VAL A 104 1.552 -3.054 -0.748 1.00 23.50 H new ATOM 0 HG23 VAL A 104 2.927 -2.216 0.011 1.00 23.50 H new ATOM 1585 N GLU A 105 4.207 -3.278 2.422 1.00 72.21 N ATOM 1586 CA GLU A 105 4.689 -2.207 3.294 1.00 64.31 C ATOM 1587 C GLU A 105 5.139 -1.010 2.454 1.00 54.43 C ATOM 1588 O GLU A 105 5.550 -1.173 1.320 1.00 44.42 O ATOM 1589 CB GLU A 105 5.885 -2.689 4.155 1.00 12.14 C ATOM 1590 CG GLU A 105 5.568 -3.692 5.277 1.00 24.34 C ATOM 1591 CD GLU A 105 4.908 -4.971 4.817 1.00 61.05 C ATOM 1592 OE1 GLU A 105 5.584 -5.830 4.210 1.00 61.11 O ATOM 1593 OE2 GLU A 105 3.702 -5.155 5.098 1.00 4.15 O ATOM 0 H GLU A 105 4.951 -3.842 2.012 1.00 72.21 H new ATOM 0 HA GLU A 105 3.869 -1.917 3.951 1.00 64.31 H new ATOM 0 HB2 GLU A 105 6.621 -3.142 3.491 1.00 12.14 H new ATOM 0 HB3 GLU A 105 6.356 -1.814 4.603 1.00 12.14 H new ATOM 0 HG2 GLU A 105 6.495 -3.943 5.793 1.00 24.34 H new ATOM 0 HG3 GLU A 105 4.919 -3.207 6.006 1.00 24.34 H new ATOM 1600 N THR A 106 5.029 0.176 3.011 1.00 12.25 N ATOM 1601 CA THR A 106 5.447 1.396 2.349 1.00 63.42 C ATOM 1602 C THR A 106 5.669 2.489 3.419 1.00 65.24 C ATOM 1603 O THR A 106 5.408 2.250 4.612 1.00 23.34 O ATOM 1604 CB THR A 106 4.404 1.876 1.300 1.00 1.44 C ATOM 1605 OG1 THR A 106 4.962 2.933 0.505 1.00 11.22 O ATOM 1606 CG2 THR A 106 3.153 2.391 1.991 1.00 63.54 C ATOM 0 H THR A 106 4.644 0.324 3.944 1.00 12.25 H new ATOM 0 HA THR A 106 6.373 1.198 1.810 1.00 63.42 H new ATOM 0 HB THR A 106 4.144 1.030 0.665 1.00 1.44 H new ATOM 0 HG1 THR A 106 5.542 2.551 -0.187 1.00 11.22 H new ATOM 0 HG21 THR A 106 2.434 2.723 1.242 1.00 63.54 H new ATOM 0 HG22 THR A 106 2.713 1.593 2.588 1.00 63.54 H new ATOM 0 HG23 THR A 106 3.414 3.228 2.639 1.00 63.54 H new ATOM 1614 N TYR A 107 6.154 3.652 3.011 1.00 61.33 N ATOM 1615 CA TYR A 107 6.424 4.732 3.948 1.00 23.55 C ATOM 1616 C TYR A 107 5.514 5.932 3.708 1.00 61.23 C ATOM 1617 O TYR A 107 5.542 6.552 2.635 1.00 70.40 O ATOM 1618 CB TYR A 107 7.897 5.162 3.894 1.00 52.32 C ATOM 1619 CG TYR A 107 8.863 4.065 4.276 1.00 44.54 C ATOM 1620 CD1 TYR A 107 9.115 3.776 5.608 1.00 30.35 C ATOM 1621 CD2 TYR A 107 9.509 3.309 3.307 1.00 73.01 C ATOM 1622 CE1 TYR A 107 9.985 2.770 5.966 1.00 14.32 C ATOM 1623 CE2 TYR A 107 10.379 2.297 3.658 1.00 31.24 C ATOM 1624 CZ TYR A 107 10.613 2.035 4.989 1.00 21.00 C ATOM 1625 OH TYR A 107 11.468 1.023 5.343 1.00 12.14 O ATOM 0 H TYR A 107 6.368 3.872 2.038 1.00 61.33 H new ATOM 0 HA TYR A 107 6.213 4.345 4.945 1.00 23.55 H new ATOM 0 HB2 TYR A 107 8.130 5.504 2.886 1.00 52.32 H new ATOM 0 HB3 TYR A 107 8.043 6.012 4.561 1.00 52.32 H new ATOM 0 HD1 TYR A 107 8.621 4.349 6.378 1.00 30.35 H new ATOM 0 HD2 TYR A 107 9.328 3.516 2.263 1.00 73.01 H new ATOM 0 HE1 TYR A 107 10.173 2.560 7.009 1.00 14.32 H new ATOM 0 HE2 TYR A 107 10.873 1.715 2.894 1.00 31.24 H new ATOM 0 HH TYR A 107 11.828 0.602 4.535 1.00 12.14 H new ATOM 1635 N VAL A 108 4.728 6.266 4.716 1.00 12.25 N ATOM 1636 CA VAL A 108 3.814 7.391 4.657 1.00 1.10 C ATOM 1637 C VAL A 108 4.313 8.520 5.575 1.00 61.10 C ATOM 1638 O VAL A 108 4.870 8.256 6.644 1.00 5.03 O ATOM 1639 CB VAL A 108 2.366 6.983 5.059 1.00 30.12 C ATOM 1640 CG1 VAL A 108 1.795 5.980 4.077 1.00 45.12 C ATOM 1641 CG2 VAL A 108 2.316 6.422 6.472 1.00 14.20 C ATOM 0 H VAL A 108 4.706 5.762 5.602 1.00 12.25 H new ATOM 0 HA VAL A 108 3.786 7.741 3.625 1.00 1.10 H new ATOM 0 HB VAL A 108 1.755 7.885 5.032 1.00 30.12 H new ATOM 0 HG11 VAL A 108 0.783 5.711 4.379 1.00 45.12 H new ATOM 0 HG12 VAL A 108 1.771 6.420 3.080 1.00 45.12 H new ATOM 0 HG13 VAL A 108 2.420 5.087 4.064 1.00 45.12 H new ATOM 0 HG21 VAL A 108 1.290 6.148 6.719 1.00 14.20 H new ATOM 0 HG22 VAL A 108 2.953 5.540 6.536 1.00 14.20 H new ATOM 0 HG23 VAL A 108 2.669 7.176 7.176 1.00 14.20 H new ATOM 1651 N TRP A 109 4.135 9.747 5.144 1.00 74.23 N ATOM 1652 CA TRP A 109 4.607 10.935 5.864 1.00 43.34 C ATOM 1653 C TRP A 109 3.745 11.170 7.124 1.00 34.31 C ATOM 1654 O TRP A 109 2.558 11.460 7.021 1.00 22.00 O ATOM 1655 CB TRP A 109 4.499 12.133 4.895 1.00 0.43 C ATOM 1656 CG TRP A 109 5.339 13.335 5.198 1.00 13.25 C ATOM 1657 CD1 TRP A 109 4.922 14.606 5.483 1.00 23.12 C ATOM 1658 CD2 TRP A 109 6.754 13.365 5.207 1.00 0.30 C ATOM 1659 NE1 TRP A 109 6.017 15.426 5.653 1.00 71.04 N ATOM 1660 CE2 TRP A 109 7.155 14.680 5.494 1.00 42.35 C ATOM 1661 CE3 TRP A 109 7.720 12.395 4.998 1.00 34.55 C ATOM 1662 CZ2 TRP A 109 8.500 15.042 5.571 1.00 44.32 C ATOM 1663 CZ3 TRP A 109 9.032 12.733 5.077 1.00 72.13 C ATOM 1664 CH2 TRP A 109 9.430 14.050 5.362 1.00 53.42 C ATOM 0 H TRP A 109 3.653 9.965 4.272 1.00 74.23 H new ATOM 0 HA TRP A 109 5.638 10.807 6.192 1.00 43.34 H new ATOM 0 HB2 TRP A 109 4.757 11.783 3.895 1.00 0.43 H new ATOM 0 HB3 TRP A 109 3.456 12.449 4.863 1.00 0.43 H new ATOM 0 HD1 TRP A 109 3.892 14.920 5.563 1.00 23.12 H new ATOM 0 HE1 TRP A 109 5.985 16.424 5.863 1.00 71.04 H new ATOM 0 HE3 TRP A 109 7.432 11.379 4.774 1.00 34.55 H new ATOM 0 HZ2 TRP A 109 8.798 16.058 5.786 1.00 44.32 H new ATOM 0 HZ3 TRP A 109 9.785 11.975 4.918 1.00 72.13 H new ATOM 0 HH2 TRP A 109 10.482 14.287 5.418 1.00 53.42 H new ATOM 1675 N VAL A 110 4.350 11.029 8.301 1.00 65.11 N ATOM 1676 CA VAL A 110 3.656 11.199 9.575 1.00 21.55 C ATOM 1677 C VAL A 110 3.357 12.676 9.815 1.00 22.12 C ATOM 1678 O VAL A 110 2.436 13.043 10.527 1.00 10.40 O ATOM 1679 CB VAL A 110 4.513 10.675 10.772 1.00 30.50 C ATOM 1680 CG1 VAL A 110 4.969 9.271 10.546 1.00 31.12 C ATOM 1681 CG2 VAL A 110 5.689 11.582 11.107 1.00 65.32 C ATOM 0 H VAL A 110 5.338 10.793 8.398 1.00 65.11 H new ATOM 0 HA VAL A 110 2.732 10.623 9.518 1.00 21.55 H new ATOM 0 HB VAL A 110 3.854 10.686 11.640 1.00 30.50 H new ATOM 0 HG11 VAL A 110 5.562 8.939 11.398 1.00 31.12 H new ATOM 0 HG12 VAL A 110 4.102 8.621 10.432 1.00 31.12 H new ATOM 0 HG13 VAL A 110 5.576 9.227 9.642 1.00 31.12 H new ATOM 0 HG21 VAL A 110 6.244 11.163 11.946 1.00 65.32 H new ATOM 0 HG22 VAL A 110 6.346 11.661 10.241 1.00 65.32 H new ATOM 0 HG23 VAL A 110 5.320 12.572 11.374 1.00 65.32 H new ATOM 1691 N ASN A 111 4.141 13.500 9.164 1.00 53.10 N ATOM 1692 CA ASN A 111 4.151 14.937 9.358 1.00 52.33 C ATOM 1693 C ASN A 111 3.039 15.645 8.543 1.00 30.33 C ATOM 1694 O ASN A 111 2.903 16.869 8.565 1.00 54.21 O ATOM 1695 CB ASN A 111 5.570 15.425 9.010 1.00 33.33 C ATOM 1696 CG ASN A 111 5.807 16.902 9.143 1.00 44.13 C ATOM 1697 OD1 ASN A 111 5.672 17.637 8.193 1.00 21.00 O ATOM 1698 ND2 ASN A 111 6.160 17.343 10.319 1.00 41.45 N ATOM 0 H ASN A 111 4.811 13.184 8.463 1.00 53.10 H new ATOM 0 HA ASN A 111 3.921 15.191 10.393 1.00 52.33 H new ATOM 0 HB2 ASN A 111 6.280 14.904 9.652 1.00 33.33 H new ATOM 0 HB3 ASN A 111 5.793 15.132 7.984 1.00 33.33 H new ATOM 0 HD21 ASN A 111 6.332 18.338 10.460 1.00 41.45 H new ATOM 0 HD22 ASN A 111 6.264 16.692 11.098 1.00 41.45 H new ATOM 1705 N LYS A 112 2.204 14.840 7.900 1.00 43.20 N ATOM 1706 CA LYS A 112 1.083 15.305 7.063 1.00 14.42 C ATOM 1707 C LYS A 112 0.048 16.159 7.806 1.00 5.14 C ATOM 1708 O LYS A 112 -0.788 16.799 7.163 1.00 2.25 O ATOM 1709 CB LYS A 112 0.349 14.134 6.471 1.00 4.03 C ATOM 1710 CG LYS A 112 -0.091 13.128 7.501 1.00 53.33 C ATOM 1711 CD LYS A 112 -1.144 12.222 6.957 1.00 44.53 C ATOM 1712 CE LYS A 112 -2.471 12.955 6.819 1.00 70.15 C ATOM 1713 NZ LYS A 112 -3.546 12.074 6.354 1.00 4.41 N ATOM 0 H LYS A 112 2.280 13.824 7.940 1.00 43.20 H new ATOM 0 HA LYS A 112 1.550 15.928 6.300 1.00 14.42 H new ATOM 0 HB2 LYS A 112 -0.525 14.497 5.930 1.00 4.03 H new ATOM 0 HB3 LYS A 112 0.992 13.641 5.742 1.00 4.03 H new ATOM 0 HG2 LYS A 112 0.766 12.539 7.827 1.00 53.33 H new ATOM 0 HG3 LYS A 112 -0.473 13.647 8.380 1.00 53.33 H new ATOM 0 HD2 LYS A 112 -0.833 11.838 5.985 1.00 44.53 H new ATOM 0 HD3 LYS A 112 -1.265 11.362 7.616 1.00 44.53 H new ATOM 0 HE2 LYS A 112 -2.748 13.386 7.781 1.00 70.15 H new ATOM 0 HE3 LYS A 112 -2.355 13.784 6.120 1.00 70.15 H new ATOM 0 HZ1 LYS A 112 -4.430 12.617 6.275 1.00 4.41 H new ATOM 0 HZ2 LYS A 112 -3.296 11.682 5.424 1.00 4.41 H new ATOM 0 HZ3 LYS A 112 -3.676 11.297 7.033 1.00 4.41 H new ATOM 1727 N ASP A 113 0.081 16.139 9.136 1.00 70.02 N ATOM 1728 CA ASP A 113 -0.928 16.841 9.968 1.00 32.34 C ATOM 1729 C ASP A 113 -0.993 18.338 9.727 1.00 4.32 C ATOM 1730 O ASP A 113 -2.049 18.955 9.895 1.00 62.32 O ATOM 1731 CB ASP A 113 -0.770 16.534 11.457 1.00 52.21 C ATOM 1732 CG ASP A 113 -1.069 15.091 11.778 1.00 44.20 C ATOM 1733 OD1 ASP A 113 -2.252 14.754 12.003 1.00 2.14 O ATOM 1734 OD2 ASP A 113 -0.134 14.263 11.793 1.00 51.11 O ATOM 0 H ASP A 113 0.793 15.646 9.675 1.00 70.02 H new ATOM 0 HA ASP A 113 -1.885 16.437 9.639 1.00 32.34 H new ATOM 0 HB2 ASP A 113 0.248 16.770 11.769 1.00 52.21 H new ATOM 0 HB3 ASP A 113 -1.437 17.177 12.031 1.00 52.21 H new ATOM 1739 N ASP A 114 0.103 18.918 9.331 1.00 60.44 N ATOM 1740 CA ASP A 114 0.138 20.342 9.024 1.00 41.34 C ATOM 1741 C ASP A 114 0.206 20.473 7.523 1.00 55.40 C ATOM 1742 O ASP A 114 0.429 19.470 6.842 1.00 4.42 O ATOM 1743 CB ASP A 114 1.397 21.013 9.607 1.00 4.32 C ATOM 1744 CG ASP A 114 1.574 20.858 11.083 1.00 65.00 C ATOM 1745 OD1 ASP A 114 0.868 21.537 11.852 1.00 33.52 O ATOM 1746 OD2 ASP A 114 2.464 20.084 11.493 1.00 41.13 O ATOM 0 H ASP A 114 0.994 18.436 9.209 1.00 60.44 H new ATOM 0 HA ASP A 114 -0.743 20.821 9.451 1.00 41.34 H new ATOM 0 HB2 ASP A 114 2.274 20.601 9.107 1.00 4.32 H new ATOM 0 HB3 ASP A 114 1.365 22.077 9.371 1.00 4.32 H new ATOM 1751 N PRO A 115 -0.012 21.669 6.950 1.00 23.33 N ATOM 1752 CA PRO A 115 0.234 21.882 5.533 1.00 53.02 C ATOM 1753 C PRO A 115 1.738 21.776 5.284 1.00 41.45 C ATOM 1754 O PRO A 115 2.505 22.704 5.583 1.00 10.42 O ATOM 1755 CB PRO A 115 -0.267 23.312 5.268 1.00 74.40 C ATOM 1756 CG PRO A 115 -1.113 23.648 6.453 1.00 5.24 C ATOM 1757 CD PRO A 115 -0.543 22.878 7.605 1.00 33.40 C ATOM 0 HA PRO A 115 -0.262 21.159 4.885 1.00 53.02 H new ATOM 0 HB2 PRO A 115 0.564 24.009 5.165 1.00 74.40 H new ATOM 0 HB3 PRO A 115 -0.843 23.364 4.344 1.00 74.40 H new ATOM 0 HG2 PRO A 115 -1.094 24.719 6.653 1.00 5.24 H new ATOM 0 HG3 PRO A 115 -2.154 23.374 6.279 1.00 5.24 H new ATOM 0 HD2 PRO A 115 0.239 23.437 8.120 1.00 33.40 H new ATOM 0 HD3 PRO A 115 -1.304 22.636 8.347 1.00 33.40 H new ATOM 1765 N ARG A 116 2.161 20.616 4.838 1.00 31.43 N ATOM 1766 CA ARG A 116 3.560 20.316 4.673 1.00 54.45 C ATOM 1767 C ARG A 116 3.802 19.681 3.327 1.00 14.55 C ATOM 1768 O ARG A 116 3.110 18.718 2.964 1.00 31.21 O ATOM 1769 CB ARG A 116 3.996 19.293 5.729 1.00 2.31 C ATOM 1770 CG ARG A 116 3.810 19.683 7.188 1.00 1.23 C ATOM 1771 CD ARG A 116 4.737 20.799 7.646 1.00 1.31 C ATOM 1772 NE ARG A 116 4.613 21.007 9.109 1.00 31.21 N ATOM 1773 CZ ARG A 116 5.260 21.929 9.836 1.00 63.14 C ATOM 1774 NH1 ARG A 116 6.091 22.787 9.251 1.00 65.33 N ATOM 1775 NH2 ARG A 116 5.067 21.980 11.151 1.00 20.41 N ATOM 0 H ARG A 116 1.538 19.851 4.579 1.00 31.43 H new ATOM 0 HA ARG A 116 4.118 21.248 4.768 1.00 54.45 H new ATOM 0 HB2 ARG A 116 3.446 18.369 5.553 1.00 2.31 H new ATOM 0 HB3 ARG A 116 5.051 19.071 5.570 1.00 2.31 H new ATOM 0 HG2 ARG A 116 2.777 19.994 7.343 1.00 1.23 H new ATOM 0 HG3 ARG A 116 3.976 18.806 7.813 1.00 1.23 H new ATOM 0 HD2 ARG A 116 5.768 20.550 7.394 1.00 1.31 H new ATOM 0 HD3 ARG A 116 4.494 21.722 7.119 1.00 1.31 H new ATOM 0 HE ARG A 116 3.974 20.389 9.610 1.00 31.21 H new ATOM 0 HH11 ARG A 116 6.240 22.746 8.243 1.00 65.33 H new ATOM 0 HH12 ARG A 116 6.580 23.486 9.811 1.00 65.33 H new ATOM 0 HH21 ARG A 116 4.431 21.321 11.599 1.00 20.41 H new ATOM 0 HH22 ARG A 116 5.555 22.678 11.711 1.00 20.41 H new ATOM 1789 N MET A 117 4.760 20.236 2.597 1.00 63.41 N ATOM 1790 CA MET A 117 5.280 19.663 1.348 1.00 70.33 C ATOM 1791 C MET A 117 4.317 19.756 0.176 1.00 53.15 C ATOM 1792 O MET A 117 3.139 19.389 0.267 1.00 63.32 O ATOM 1793 CB MET A 117 5.762 18.199 1.518 1.00 4.23 C ATOM 1794 CG MET A 117 7.082 17.931 2.311 1.00 61.41 C ATOM 1795 SD MET A 117 7.155 18.515 4.044 1.00 43.54 S ATOM 1796 CE MET A 117 7.586 20.249 3.856 1.00 33.12 C ATOM 0 H MET A 117 5.211 21.114 2.855 1.00 63.41 H new ATOM 0 HA MET A 117 6.140 20.289 1.109 1.00 70.33 H new ATOM 0 HB2 MET A 117 4.963 17.643 2.008 1.00 4.23 H new ATOM 0 HB3 MET A 117 5.882 17.773 0.522 1.00 4.23 H new ATOM 0 HG2 MET A 117 7.264 16.856 2.310 1.00 61.41 H new ATOM 0 HG3 MET A 117 7.904 18.394 1.764 1.00 61.41 H new ATOM 0 HE1 MET A 117 8.521 20.450 4.378 1.00 33.12 H new ATOM 0 HE2 MET A 117 7.704 20.482 2.798 1.00 33.12 H new ATOM 0 HE3 MET A 117 6.795 20.868 4.278 1.00 33.12 H new ATOM 1920 N GLU A 125 7.762 20.431 -13.659 1.00 0.55 N ATOM 1921 CA GLU A 125 8.692 19.901 -12.665 1.00 70.34 C ATOM 1922 C GLU A 125 8.976 18.419 -12.910 1.00 24.40 C ATOM 1923 O GLU A 125 10.095 17.963 -12.714 1.00 60.31 O ATOM 1924 CB GLU A 125 8.182 20.135 -11.242 1.00 61.24 C ATOM 1925 CG GLU A 125 8.119 21.606 -10.844 1.00 74.01 C ATOM 1926 CD GLU A 125 7.757 21.808 -9.389 1.00 3.32 C ATOM 1927 OE1 GLU A 125 8.662 21.729 -8.528 1.00 72.21 O ATOM 1928 OE2 GLU A 125 6.569 22.063 -9.078 1.00 40.33 O ATOM 0 HA GLU A 125 9.631 20.444 -12.772 1.00 70.34 H new ATOM 0 HB2 GLU A 125 7.187 19.700 -11.147 1.00 61.24 H new ATOM 0 HB3 GLU A 125 8.830 19.607 -10.543 1.00 61.24 H new ATOM 0 HG2 GLU A 125 9.085 22.072 -11.041 1.00 74.01 H new ATOM 0 HG3 GLU A 125 7.386 22.115 -11.470 1.00 74.01 H new ATOM 1935 N TRP A 126 7.973 17.677 -13.361 1.00 73.12 N ATOM 1936 CA TRP A 126 8.160 16.268 -13.675 1.00 32.23 C ATOM 1937 C TRP A 126 9.074 16.103 -14.891 1.00 13.11 C ATOM 1938 O TRP A 126 9.861 15.164 -14.961 1.00 11.12 O ATOM 1939 CB TRP A 126 6.823 15.531 -13.868 1.00 1.01 C ATOM 1940 CG TRP A 126 7.004 14.073 -14.184 1.00 40.13 C ATOM 1941 CD1 TRP A 126 6.850 13.475 -15.397 1.00 3.31 C ATOM 1942 CD2 TRP A 126 7.409 13.036 -13.273 1.00 41.53 C ATOM 1943 NE1 TRP A 126 7.125 12.138 -15.300 1.00 71.22 N ATOM 1944 CE2 TRP A 126 7.470 11.840 -14.009 1.00 2.41 C ATOM 1945 CE3 TRP A 126 7.721 13.006 -11.910 1.00 1.31 C ATOM 1946 CZ2 TRP A 126 7.829 10.625 -13.432 1.00 22.10 C ATOM 1947 CZ3 TRP A 126 8.079 11.799 -11.336 1.00 51.00 C ATOM 1948 CH2 TRP A 126 8.131 10.624 -12.097 1.00 60.44 C ATOM 0 H TRP A 126 7.027 18.025 -13.517 1.00 73.12 H new ATOM 0 HA TRP A 126 8.647 15.804 -12.817 1.00 32.23 H new ATOM 0 HB2 TRP A 126 6.224 15.631 -12.963 1.00 1.01 H new ATOM 0 HB3 TRP A 126 6.264 16.006 -14.674 1.00 1.01 H new ATOM 0 HD1 TRP A 126 6.554 13.982 -16.304 1.00 3.31 H new ATOM 0 HE1 TRP A 126 7.080 11.469 -16.068 1.00 71.22 H new ATOM 0 HE3 TRP A 126 7.683 13.908 -11.317 1.00 1.31 H new ATOM 0 HZ2 TRP A 126 7.868 9.717 -14.016 1.00 22.10 H new ATOM 0 HZ3 TRP A 126 8.322 11.762 -10.284 1.00 51.00 H new ATOM 0 HH2 TRP A 126 8.415 9.698 -11.620 1.00 60.44 H new ATOM 1959 N ARG A 127 8.982 17.041 -15.835 1.00 51.41 N ATOM 1960 CA ARG A 127 9.878 17.066 -17.001 1.00 72.15 C ATOM 1961 C ARG A 127 11.325 17.158 -16.502 1.00 34.20 C ATOM 1962 O ARG A 127 12.237 16.511 -17.030 1.00 61.42 O ATOM 1963 CB ARG A 127 9.558 18.283 -17.883 1.00 64.25 C ATOM 1964 CG ARG A 127 10.412 18.403 -19.141 1.00 23.33 C ATOM 1965 CD ARG A 127 10.105 19.689 -19.890 1.00 24.51 C ATOM 1966 NE ARG A 127 10.879 19.810 -21.138 1.00 34.53 N ATOM 1967 CZ ARG A 127 11.284 20.971 -21.687 1.00 53.44 C ATOM 1968 NH1 ARG A 127 11.073 22.121 -21.057 1.00 32.54 N ATOM 1969 NH2 ARG A 127 11.916 20.967 -22.859 1.00 71.01 N ATOM 0 H ARG A 127 8.296 17.796 -15.818 1.00 51.41 H new ATOM 0 HA ARG A 127 9.741 16.160 -17.592 1.00 72.15 H new ATOM 0 HB2 ARG A 127 8.509 18.236 -18.176 1.00 64.25 H new ATOM 0 HB3 ARG A 127 9.683 19.188 -17.288 1.00 64.25 H new ATOM 0 HG2 ARG A 127 11.468 18.379 -18.871 1.00 23.33 H new ATOM 0 HG3 ARG A 127 10.229 17.547 -19.791 1.00 23.33 H new ATOM 0 HD2 ARG A 127 9.040 19.727 -20.121 1.00 24.51 H new ATOM 0 HD3 ARG A 127 10.322 20.542 -19.247 1.00 24.51 H new ATOM 0 HE ARG A 127 11.127 18.948 -21.623 1.00 34.53 H new ATOM 0 HH11 ARG A 127 10.602 22.128 -20.152 1.00 32.54 H new ATOM 0 HH12 ARG A 127 11.382 22.997 -21.478 1.00 32.54 H new ATOM 0 HH21 ARG A 127 12.093 20.085 -23.340 1.00 71.01 H new ATOM 0 HH22 ARG A 127 12.223 21.846 -23.276 1.00 71.01 H new ATOM 1983 N VAL A 128 11.496 17.947 -15.463 1.00 14.33 N ATOM 1984 CA VAL A 128 12.770 18.145 -14.802 1.00 25.22 C ATOM 1985 C VAL A 128 13.213 16.850 -14.090 1.00 31.22 C ATOM 1986 O VAL A 128 14.388 16.478 -14.127 1.00 35.22 O ATOM 1987 CB VAL A 128 12.658 19.323 -13.794 1.00 22.20 C ATOM 1988 CG1 VAL A 128 13.920 19.531 -13.004 1.00 20.12 C ATOM 1989 CG2 VAL A 128 12.296 20.601 -14.523 1.00 3.53 C ATOM 0 H VAL A 128 10.735 18.482 -15.044 1.00 14.33 H new ATOM 0 HA VAL A 128 13.526 18.393 -15.546 1.00 25.22 H new ATOM 0 HB VAL A 128 11.871 19.061 -13.087 1.00 22.20 H new ATOM 0 HG11 VAL A 128 13.785 20.366 -12.316 1.00 20.12 H new ATOM 0 HG12 VAL A 128 14.148 18.628 -12.438 1.00 20.12 H new ATOM 0 HG13 VAL A 128 14.743 19.751 -13.684 1.00 20.12 H new ATOM 0 HG21 VAL A 128 12.220 21.419 -13.807 1.00 3.53 H new ATOM 0 HG22 VAL A 128 13.067 20.832 -15.258 1.00 3.53 H new ATOM 0 HG23 VAL A 128 11.339 20.472 -15.030 1.00 3.53 H new ATOM 1999 N VAL A 129 12.256 16.146 -13.491 1.00 41.24 N ATOM 2000 CA VAL A 129 12.537 14.880 -12.800 1.00 51.15 C ATOM 2001 C VAL A 129 12.946 13.821 -13.812 1.00 31.24 C ATOM 2002 O VAL A 129 13.935 13.118 -13.623 1.00 70.22 O ATOM 2003 CB VAL A 129 11.285 14.356 -12.035 1.00 11.10 C ATOM 2004 CG1 VAL A 129 11.568 13.004 -11.394 1.00 30.01 C ATOM 2005 CG2 VAL A 129 10.826 15.353 -10.980 1.00 41.32 C ATOM 0 H VAL A 129 11.276 16.427 -13.467 1.00 41.24 H new ATOM 0 HA VAL A 129 13.340 15.069 -12.087 1.00 51.15 H new ATOM 0 HB VAL A 129 10.482 14.235 -12.762 1.00 11.10 H new ATOM 0 HG11 VAL A 129 10.679 12.659 -10.866 1.00 30.01 H new ATOM 0 HG12 VAL A 129 11.834 12.283 -12.167 1.00 30.01 H new ATOM 0 HG13 VAL A 129 12.394 13.101 -10.690 1.00 30.01 H new ATOM 0 HG21 VAL A 129 9.951 14.959 -10.463 1.00 41.32 H new ATOM 0 HG22 VAL A 129 11.629 15.517 -10.261 1.00 41.32 H new ATOM 0 HG23 VAL A 129 10.570 16.298 -11.459 1.00 41.32 H new ATOM 2015 N HIS A 130 12.202 13.751 -14.904 1.00 25.14 N ATOM 2016 CA HIS A 130 12.476 12.809 -15.982 1.00 71.33 C ATOM 2017 C HIS A 130 13.863 13.082 -16.565 1.00 3.21 C ATOM 2018 O HIS A 130 14.574 12.164 -16.951 1.00 63.50 O ATOM 2019 CB HIS A 130 11.367 12.914 -17.062 1.00 70.22 C ATOM 2020 CG HIS A 130 11.508 11.997 -18.257 1.00 35.31 C ATOM 2021 ND1 HIS A 130 10.782 10.838 -18.415 1.00 61.15 N ATOM 2022 CD2 HIS A 130 12.261 12.110 -19.377 1.00 73.41 C ATOM 2023 CE1 HIS A 130 11.083 10.285 -19.570 1.00 74.41 C ATOM 2024 NE2 HIS A 130 11.979 11.036 -20.170 1.00 54.35 N ATOM 0 H HIS A 130 11.390 14.345 -15.070 1.00 25.14 H new ATOM 0 HA HIS A 130 12.471 11.790 -15.596 1.00 71.33 H new ATOM 0 HB2 HIS A 130 10.407 12.713 -16.587 1.00 70.22 H new ATOM 0 HB3 HIS A 130 11.335 13.943 -17.421 1.00 70.22 H new ATOM 0 HD2 HIS A 130 12.957 12.905 -19.601 1.00 73.41 H new ATOM 0 HE1 HIS A 130 10.664 9.369 -19.959 1.00 74.41 H new ATOM 0 HE2 HIS A 130 12.396 10.847 -21.081 1.00 54.35 H new ATOM 2033 N ALA A 131 14.242 14.344 -16.589 1.00 33.33 N ATOM 2034 CA ALA A 131 15.543 14.733 -17.085 1.00 71.31 C ATOM 2035 C ALA A 131 16.642 14.225 -16.163 1.00 31.43 C ATOM 2036 O ALA A 131 17.566 13.537 -16.612 1.00 71.43 O ATOM 2037 CB ALA A 131 15.633 16.240 -17.242 1.00 55.35 C ATOM 0 H ALA A 131 13.663 15.120 -16.269 1.00 33.33 H new ATOM 0 HA ALA A 131 15.681 14.280 -18.067 1.00 71.31 H new ATOM 0 HB1 ALA A 131 16.621 16.508 -17.616 1.00 55.35 H new ATOM 0 HB2 ALA A 131 14.874 16.578 -17.947 1.00 55.35 H new ATOM 0 HB3 ALA A 131 15.469 16.717 -16.276 1.00 55.35 H new ATOM 2043 N GLU A 132 16.514 14.531 -14.876 1.00 63.03 N ATOM 2044 CA GLU A 132 17.508 14.135 -13.886 1.00 11.21 C ATOM 2045 C GLU A 132 17.611 12.624 -13.750 1.00 11.12 C ATOM 2046 O GLU A 132 18.708 12.076 -13.668 1.00 23.03 O ATOM 2047 CB GLU A 132 17.221 14.762 -12.528 1.00 22.31 C ATOM 2048 CG GLU A 132 17.302 16.270 -12.519 1.00 44.44 C ATOM 2049 CD GLU A 132 17.113 16.848 -11.143 1.00 52.44 C ATOM 2050 OE1 GLU A 132 18.097 16.865 -10.359 1.00 1.44 O ATOM 2051 OE2 GLU A 132 16.008 17.310 -10.826 1.00 25.00 O ATOM 0 H GLU A 132 15.727 15.055 -14.493 1.00 63.03 H new ATOM 0 HA GLU A 132 18.467 14.506 -14.247 1.00 11.21 H new ATOM 0 HB2 GLU A 132 16.226 14.460 -12.203 1.00 22.31 H new ATOM 0 HB3 GLU A 132 17.928 14.366 -11.799 1.00 22.31 H new ATOM 0 HG2 GLU A 132 18.271 16.581 -12.911 1.00 44.44 H new ATOM 0 HG3 GLU A 132 16.543 16.676 -13.188 1.00 44.44 H new ATOM 2058 N LYS A 133 16.470 11.963 -13.769 1.00 24.42 N ATOM 2059 CA LYS A 133 16.395 10.526 -13.589 1.00 1.23 C ATOM 2060 C LYS A 133 17.182 9.783 -14.672 1.00 24.11 C ATOM 2061 O LYS A 133 17.975 8.880 -14.376 1.00 53.11 O ATOM 2062 CB LYS A 133 14.929 10.088 -13.592 1.00 23.10 C ATOM 2063 CG LYS A 133 14.630 8.584 -13.403 1.00 42.24 C ATOM 2064 CD LYS A 133 14.966 8.021 -11.996 1.00 34.31 C ATOM 2065 CE LYS A 133 16.459 7.773 -11.746 1.00 11.11 C ATOM 2066 NZ LYS A 133 16.710 7.271 -10.371 1.00 74.14 N ATOM 0 H LYS A 133 15.564 12.410 -13.910 1.00 24.42 H new ATOM 0 HA LYS A 133 16.847 10.273 -12.630 1.00 1.23 H new ATOM 0 HB2 LYS A 133 14.414 10.635 -12.802 1.00 23.10 H new ATOM 0 HB3 LYS A 133 14.487 10.402 -14.538 1.00 23.10 H new ATOM 0 HG2 LYS A 133 13.573 8.411 -13.604 1.00 42.24 H new ATOM 0 HG3 LYS A 133 15.193 8.021 -14.147 1.00 42.24 H new ATOM 0 HD2 LYS A 133 14.596 8.717 -11.243 1.00 34.31 H new ATOM 0 HD3 LYS A 133 14.427 7.084 -11.856 1.00 34.31 H new ATOM 0 HE2 LYS A 133 16.834 7.051 -12.471 1.00 11.11 H new ATOM 0 HE3 LYS A 133 17.013 8.699 -11.902 1.00 11.11 H new ATOM 0 HZ1 LYS A 133 17.644 7.595 -10.048 1.00 74.14 H new ATOM 0 HZ2 LYS A 133 15.976 7.634 -9.730 1.00 74.14 H new ATOM 0 HZ3 LYS A 133 16.686 6.231 -10.371 1.00 74.14 H new ATOM 2080 N PHE A 134 16.980 10.162 -15.907 1.00 4.15 N ATOM 2081 CA PHE A 134 17.659 9.501 -16.995 1.00 71.24 C ATOM 2082 C PHE A 134 19.110 9.926 -17.132 1.00 32.12 C ATOM 2083 O PHE A 134 19.968 9.092 -17.455 1.00 35.44 O ATOM 2084 CB PHE A 134 16.886 9.608 -18.309 1.00 52.41 C ATOM 2085 CG PHE A 134 15.617 8.793 -18.311 1.00 15.53 C ATOM 2086 CD1 PHE A 134 14.458 9.281 -17.745 1.00 43.01 C ATOM 2087 CD2 PHE A 134 15.597 7.530 -18.876 1.00 21.22 C ATOM 2088 CE1 PHE A 134 13.303 8.536 -17.735 1.00 61.42 C ATOM 2089 CE2 PHE A 134 14.441 6.772 -18.876 1.00 4.21 C ATOM 2090 CZ PHE A 134 13.291 7.277 -18.302 1.00 15.14 C ATOM 0 H PHE A 134 16.356 10.919 -16.185 1.00 4.15 H new ATOM 0 HA PHE A 134 17.686 8.442 -16.738 1.00 71.24 H new ATOM 0 HB2 PHE A 134 16.641 10.653 -18.496 1.00 52.41 H new ATOM 0 HB3 PHE A 134 17.525 9.279 -19.128 1.00 52.41 H new ATOM 0 HD1 PHE A 134 14.458 10.266 -17.302 1.00 43.01 H new ATOM 0 HD2 PHE A 134 16.496 7.131 -19.323 1.00 21.22 H new ATOM 0 HE1 PHE A 134 12.406 8.935 -17.284 1.00 61.42 H new ATOM 0 HE2 PHE A 134 14.437 5.789 -19.323 1.00 4.21 H new ATOM 0 HZ PHE A 134 12.385 6.689 -18.297 1.00 15.14 H new ATOM 2100 N VAL A 135 19.416 11.197 -16.842 1.00 25.55 N ATOM 2101 CA VAL A 135 20.790 11.649 -16.960 1.00 60.32 C ATOM 2102 C VAL A 135 21.687 10.977 -15.910 1.00 0.32 C ATOM 2103 O VAL A 135 22.786 10.550 -16.234 1.00 11.43 O ATOM 2104 CB VAL A 135 20.962 13.207 -16.948 1.00 50.34 C ATOM 2105 CG1 VAL A 135 20.574 13.820 -15.624 1.00 14.10 C ATOM 2106 CG2 VAL A 135 22.377 13.597 -17.327 1.00 32.43 C ATOM 0 H VAL A 135 18.748 11.904 -16.534 1.00 25.55 H new ATOM 0 HA VAL A 135 21.115 11.335 -17.952 1.00 60.32 H new ATOM 0 HB VAL A 135 20.277 13.606 -17.696 1.00 50.34 H new ATOM 0 HG11 VAL A 135 20.712 14.900 -15.669 1.00 14.10 H new ATOM 0 HG12 VAL A 135 19.529 13.596 -15.412 1.00 14.10 H new ATOM 0 HG13 VAL A 135 21.201 13.407 -14.834 1.00 14.10 H new ATOM 0 HG21 VAL A 135 22.472 14.683 -17.312 1.00 32.43 H new ATOM 0 HG22 VAL A 135 23.078 13.162 -16.615 1.00 32.43 H new ATOM 0 HG23 VAL A 135 22.601 13.227 -18.328 1.00 32.43 H new ATOM 2116 N GLU A 136 21.198 10.829 -14.662 1.00 11.31 N ATOM 2117 CA GLU A 136 22.001 10.161 -13.631 1.00 21.25 C ATOM 2118 C GLU A 136 22.230 8.705 -13.988 1.00 32.24 C ATOM 2119 O GLU A 136 23.293 8.154 -13.733 1.00 34.14 O ATOM 2120 CB GLU A 136 21.410 10.289 -12.223 1.00 70.34 C ATOM 2121 CG GLU A 136 20.024 9.732 -12.094 1.00 54.43 C ATOM 2122 CD GLU A 136 19.539 9.671 -10.669 1.00 73.50 C ATOM 2123 OE1 GLU A 136 19.093 10.695 -10.120 1.00 73.40 O ATOM 2124 OE2 GLU A 136 19.597 8.582 -10.075 1.00 31.21 O ATOM 0 H GLU A 136 20.281 11.153 -14.355 1.00 11.31 H new ATOM 0 HA GLU A 136 22.960 10.678 -13.608 1.00 21.25 H new ATOM 0 HB2 GLU A 136 22.064 9.777 -11.517 1.00 70.34 H new ATOM 0 HB3 GLU A 136 21.396 11.341 -11.939 1.00 70.34 H new ATOM 0 HG2 GLU A 136 19.337 10.344 -12.679 1.00 54.43 H new ATOM 0 HG3 GLU A 136 20.001 8.730 -12.522 1.00 54.43 H new ATOM 2131 N THR A 137 21.238 8.101 -14.617 1.00 71.43 N ATOM 2132 CA THR A 137 21.334 6.725 -15.047 1.00 44.43 C ATOM 2133 C THR A 137 22.407 6.602 -16.144 1.00 63.22 C ATOM 2134 O THR A 137 23.193 5.640 -16.168 1.00 25.30 O ATOM 2135 CB THR A 137 19.962 6.228 -15.552 1.00 51.01 C ATOM 2136 OG1 THR A 137 18.989 6.407 -14.495 1.00 32.54 O ATOM 2137 CG2 THR A 137 20.014 4.752 -15.933 1.00 71.15 C ATOM 0 H THR A 137 20.350 8.550 -14.841 1.00 71.43 H new ATOM 0 HA THR A 137 21.627 6.099 -14.204 1.00 44.43 H new ATOM 0 HB THR A 137 19.687 6.801 -16.438 1.00 51.01 H new ATOM 0 HG1 THR A 137 18.767 7.358 -14.412 1.00 32.54 H new ATOM 0 HG21 THR A 137 19.033 4.432 -16.285 1.00 71.15 H new ATOM 0 HG22 THR A 137 20.749 4.606 -16.725 1.00 71.15 H new ATOM 0 HG23 THR A 137 20.298 4.161 -15.062 1.00 71.15 H new ATOM 2145 N PHE A 138 22.457 7.605 -17.013 1.00 42.03 N ATOM 2146 CA PHE A 138 23.452 7.677 -18.060 1.00 2.24 C ATOM 2147 C PHE A 138 24.827 7.871 -17.446 1.00 61.14 C ATOM 2148 O PHE A 138 25.776 7.210 -17.832 1.00 43.21 O ATOM 2149 CB PHE A 138 23.131 8.825 -19.026 1.00 3.23 C ATOM 2150 CG PHE A 138 24.118 8.994 -20.148 1.00 55.34 C ATOM 2151 CD1 PHE A 138 24.039 8.204 -21.281 1.00 55.54 C ATOM 2152 CD2 PHE A 138 25.126 9.945 -20.067 1.00 10.35 C ATOM 2153 CE1 PHE A 138 24.944 8.356 -22.313 1.00 24.10 C ATOM 2154 CE2 PHE A 138 26.036 10.101 -21.094 1.00 3.53 C ATOM 2155 CZ PHE A 138 25.945 9.304 -22.220 1.00 23.34 C ATOM 0 H PHE A 138 21.805 8.389 -17.006 1.00 42.03 H new ATOM 0 HA PHE A 138 23.443 6.744 -18.623 1.00 2.24 H new ATOM 0 HB2 PHE A 138 22.142 8.658 -19.452 1.00 3.23 H new ATOM 0 HB3 PHE A 138 23.081 9.755 -18.460 1.00 3.23 H new ATOM 0 HD1 PHE A 138 23.260 7.460 -21.359 1.00 55.54 H new ATOM 0 HD2 PHE A 138 25.199 10.571 -19.190 1.00 10.35 H new ATOM 0 HE1 PHE A 138 24.869 7.734 -23.193 1.00 24.10 H new ATOM 0 HE2 PHE A 138 26.817 10.844 -21.018 1.00 3.53 H new ATOM 0 HZ PHE A 138 26.655 9.422 -23.025 1.00 23.34 H new ATOM 2165 N ARG A 139 24.908 8.774 -16.472 1.00 2.21 N ATOM 2166 CA ARG A 139 26.158 9.053 -15.765 1.00 43.21 C ATOM 2167 C ARG A 139 26.725 7.765 -15.184 1.00 43.21 C ATOM 2168 O ARG A 139 27.903 7.463 -15.338 1.00 22.11 O ATOM 2169 CB ARG A 139 25.946 10.084 -14.641 1.00 61.20 C ATOM 2170 CG ARG A 139 25.477 11.450 -15.116 1.00 61.33 C ATOM 2171 CD ARG A 139 25.210 12.396 -13.950 1.00 14.02 C ATOM 2172 NE ARG A 139 26.414 12.678 -13.155 1.00 23.22 N ATOM 2173 CZ ARG A 139 26.428 13.345 -11.988 1.00 1.22 C ATOM 2174 NH1 ARG A 139 25.285 13.763 -11.432 1.00 35.35 N ATOM 2175 NH2 ARG A 139 27.584 13.587 -11.379 1.00 13.22 N ATOM 0 H ARG A 139 24.116 9.330 -16.151 1.00 2.21 H new ATOM 0 HA ARG A 139 26.865 9.472 -16.481 1.00 43.21 H new ATOM 0 HB2 ARG A 139 25.215 9.688 -13.936 1.00 61.20 H new ATOM 0 HB3 ARG A 139 26.882 10.205 -14.096 1.00 61.20 H new ATOM 0 HG2 ARG A 139 26.231 11.885 -15.771 1.00 61.33 H new ATOM 0 HG3 ARG A 139 24.568 11.337 -15.707 1.00 61.33 H new ATOM 0 HD2 ARG A 139 24.807 13.333 -14.334 1.00 14.02 H new ATOM 0 HD3 ARG A 139 24.447 11.962 -13.304 1.00 14.02 H new ATOM 0 HE ARG A 139 27.307 12.342 -13.516 1.00 23.22 H new ATOM 0 HH11 ARG A 139 24.395 13.576 -11.894 1.00 35.35 H new ATOM 0 HH12 ARG A 139 25.304 14.269 -10.546 1.00 35.35 H new ATOM 0 HH21 ARG A 139 28.458 13.267 -11.797 1.00 13.22 H new ATOM 0 HH22 ARG A 139 27.598 14.093 -10.493 1.00 13.22 H new ATOM 2189 N LYS A 140 25.859 6.999 -14.536 1.00 51.53 N ATOM 2190 CA LYS A 140 26.237 5.712 -13.950 1.00 52.23 C ATOM 2191 C LYS A 140 26.715 4.721 -15.014 1.00 64.44 C ATOM 2192 O LYS A 140 27.729 4.035 -14.823 1.00 24.12 O ATOM 2193 CB LYS A 140 25.062 5.091 -13.202 1.00 53.12 C ATOM 2194 CG LYS A 140 24.536 5.887 -12.012 1.00 33.10 C ATOM 2195 CD LYS A 140 25.527 5.935 -10.850 1.00 23.34 C ATOM 2196 CE LYS A 140 25.757 4.557 -10.232 1.00 63.33 C ATOM 2197 NZ LYS A 140 24.509 3.980 -9.660 1.00 1.51 N ATOM 0 H LYS A 140 24.879 7.246 -14.400 1.00 51.53 H new ATOM 0 HA LYS A 140 27.056 5.912 -13.259 1.00 52.23 H new ATOM 0 HB2 LYS A 140 24.244 4.945 -13.907 1.00 53.12 H new ATOM 0 HB3 LYS A 140 25.361 4.103 -12.851 1.00 53.12 H new ATOM 0 HG2 LYS A 140 24.308 6.904 -12.332 1.00 33.10 H new ATOM 0 HG3 LYS A 140 23.601 5.444 -11.669 1.00 33.10 H new ATOM 0 HD2 LYS A 140 26.477 6.337 -11.201 1.00 23.34 H new ATOM 0 HD3 LYS A 140 25.155 6.617 -10.085 1.00 23.34 H new ATOM 0 HE2 LYS A 140 26.152 3.882 -10.991 1.00 63.33 H new ATOM 0 HE3 LYS A 140 26.512 4.633 -9.449 1.00 63.33 H new ATOM 0 HZ1 LYS A 140 24.745 3.150 -9.079 1.00 1.51 H new ATOM 0 HZ2 LYS A 140 24.036 4.693 -9.069 1.00 1.51 H new ATOM 0 HZ3 LYS A 140 23.874 3.693 -10.432 1.00 1.51 H new ATOM 2211 N MET A 141 25.993 4.645 -16.139 1.00 25.20 N ATOM 2212 CA MET A 141 26.327 3.671 -17.172 1.00 12.43 C ATOM 2213 C MET A 141 27.627 4.063 -17.854 1.00 63.53 C ATOM 2214 O MET A 141 28.418 3.207 -18.243 1.00 23.33 O ATOM 2215 CB MET A 141 25.150 3.449 -18.191 1.00 43.13 C ATOM 2216 CG MET A 141 24.890 4.538 -19.253 1.00 72.12 C ATOM 2217 SD MET A 141 26.148 4.632 -20.565 1.00 33.11 S ATOM 2218 CE MET A 141 26.104 2.956 -21.202 1.00 65.32 C ATOM 0 H MET A 141 25.189 5.237 -16.350 1.00 25.20 H new ATOM 0 HA MET A 141 26.477 2.704 -16.693 1.00 12.43 H new ATOM 0 HB2 MET A 141 25.335 2.511 -18.714 1.00 43.13 H new ATOM 0 HB3 MET A 141 24.233 3.318 -17.617 1.00 43.13 H new ATOM 0 HG2 MET A 141 23.918 4.355 -19.712 1.00 72.12 H new ATOM 0 HG3 MET A 141 24.830 5.506 -18.755 1.00 72.12 H new ATOM 0 HE1 MET A 141 26.259 2.973 -22.281 1.00 65.32 H new ATOM 0 HE2 MET A 141 26.891 2.367 -20.732 1.00 65.32 H new ATOM 0 HE3 MET A 141 25.135 2.508 -20.981 1.00 65.32 H new ATOM 2228 N LEU A 142 27.854 5.368 -17.959 1.00 55.11 N ATOM 2229 CA LEU A 142 29.060 5.902 -18.555 1.00 13.22 C ATOM 2230 C LEU A 142 30.252 5.497 -17.718 1.00 43.11 C ATOM 2231 O LEU A 142 31.273 5.080 -18.245 1.00 21.35 O ATOM 2232 CB LEU A 142 28.962 7.429 -18.680 1.00 43.22 C ATOM 2233 CG LEU A 142 30.128 8.143 -19.371 1.00 54.04 C ATOM 2234 CD1 LEU A 142 30.285 7.662 -20.808 1.00 44.31 C ATOM 2235 CD2 LEU A 142 29.923 9.650 -19.332 1.00 11.41 C ATOM 0 H LEU A 142 27.202 6.081 -17.631 1.00 55.11 H new ATOM 0 HA LEU A 142 29.183 5.496 -19.559 1.00 13.22 H new ATOM 0 HB2 LEU A 142 28.048 7.667 -19.224 1.00 43.22 H new ATOM 0 HB3 LEU A 142 28.855 7.845 -17.678 1.00 43.22 H new ATOM 0 HG LEU A 142 31.044 7.902 -18.832 1.00 54.04 H new ATOM 0 HD11 LEU A 142 31.119 8.184 -21.277 1.00 44.31 H new ATOM 0 HD12 LEU A 142 30.478 6.589 -20.814 1.00 44.31 H new ATOM 0 HD13 LEU A 142 29.370 7.868 -21.363 1.00 44.31 H new ATOM 0 HD21 LEU A 142 30.759 10.144 -19.827 1.00 11.41 H new ATOM 0 HD22 LEU A 142 28.996 9.904 -19.846 1.00 11.41 H new ATOM 0 HD23 LEU A 142 29.867 9.983 -18.296 1.00 11.41 H new ATOM 2247 N GLU A 143 30.095 5.577 -16.407 1.00 55.50 N ATOM 2248 CA GLU A 143 31.130 5.154 -15.479 1.00 53.45 C ATOM 2249 C GLU A 143 31.430 3.678 -15.653 1.00 51.25 C ATOM 2250 O GLU A 143 32.583 3.255 -15.602 1.00 14.30 O ATOM 2251 CB GLU A 143 30.694 5.401 -14.043 1.00 32.00 C ATOM 2252 CG GLU A 143 30.476 6.850 -13.701 1.00 10.32 C ATOM 2253 CD GLU A 143 31.742 7.673 -13.817 1.00 10.03 C ATOM 2254 OE1 GLU A 143 32.029 8.215 -14.907 1.00 10.15 O ATOM 2255 OE2 GLU A 143 32.475 7.793 -12.808 1.00 74.53 O ATOM 0 H GLU A 143 29.252 5.935 -15.958 1.00 55.50 H new ATOM 0 HA GLU A 143 32.027 5.736 -15.692 1.00 53.45 H new ATOM 0 HB2 GLU A 143 29.770 4.853 -13.857 1.00 32.00 H new ATOM 0 HB3 GLU A 143 31.448 4.991 -13.371 1.00 32.00 H new ATOM 0 HG2 GLU A 143 29.715 7.265 -14.362 1.00 10.32 H new ATOM 0 HG3 GLU A 143 30.090 6.925 -12.684 1.00 10.32 H new ATOM 2262 N TRP A 144 30.400 2.897 -15.877 1.00 33.20 N ATOM 2263 CA TRP A 144 30.573 1.473 -15.995 1.00 72.01 C ATOM 2264 C TRP A 144 31.188 1.105 -17.348 1.00 12.20 C ATOM 2265 O TRP A 144 31.906 0.130 -17.458 1.00 42.15 O ATOM 2266 CB TRP A 144 29.251 0.738 -15.760 1.00 4.22 C ATOM 2267 CG TRP A 144 29.435 -0.736 -15.598 1.00 65.12 C ATOM 2268 CD1 TRP A 144 29.876 -1.367 -14.474 1.00 64.30 C ATOM 2269 CD2 TRP A 144 29.194 -1.761 -16.570 1.00 25.41 C ATOM 2270 NE1 TRP A 144 29.935 -2.709 -14.682 1.00 30.10 N ATOM 2271 CE2 TRP A 144 29.521 -2.987 -15.961 1.00 31.11 C ATOM 2272 CE3 TRP A 144 28.739 -1.764 -17.892 1.00 14.11 C ATOM 2273 CZ2 TRP A 144 29.407 -4.205 -16.627 1.00 52.54 C ATOM 2274 CZ3 TRP A 144 28.628 -2.974 -18.552 1.00 34.14 C ATOM 2275 CH2 TRP A 144 28.960 -4.177 -17.919 1.00 12.24 C ATOM 0 H TRP A 144 29.439 3.223 -15.980 1.00 33.20 H new ATOM 0 HA TRP A 144 31.269 1.152 -15.220 1.00 72.01 H new ATOM 0 HB2 TRP A 144 28.769 1.140 -14.869 1.00 4.22 H new ATOM 0 HB3 TRP A 144 28.580 0.927 -16.598 1.00 4.22 H new ATOM 0 HD1 TRP A 144 30.141 -0.872 -13.551 1.00 64.30 H new ATOM 0 HE1 TRP A 144 30.239 -3.400 -13.996 1.00 30.10 H new ATOM 0 HE3 TRP A 144 28.480 -0.840 -18.388 1.00 14.11 H new ATOM 0 HZ2 TRP A 144 29.662 -5.136 -16.142 1.00 52.54 H new ATOM 0 HZ3 TRP A 144 28.279 -2.991 -19.574 1.00 34.14 H new ATOM 0 HH2 TRP A 144 28.861 -5.105 -18.463 1.00 12.24 H new ATOM 2286 N ASN A 145 30.915 1.901 -18.362 1.00 3.14 N ATOM 2287 CA ASN A 145 31.466 1.655 -19.692 1.00 74.05 C ATOM 2288 C ASN A 145 32.907 2.174 -19.768 1.00 3.43 C ATOM 2289 O ASN A 145 33.760 1.605 -20.467 1.00 55.30 O ATOM 2290 CB ASN A 145 30.596 2.325 -20.770 1.00 3.02 C ATOM 2291 CG ASN A 145 31.057 2.007 -22.190 1.00 23.43 C ATOM 2292 OD1 ASN A 145 31.890 2.714 -22.768 1.00 72.41 O ATOM 2293 ND2 ASN A 145 30.511 0.956 -22.764 1.00 32.33 N ATOM 0 H ASN A 145 30.316 2.724 -18.297 1.00 3.14 H new ATOM 0 HA ASN A 145 31.469 0.580 -19.875 1.00 74.05 H new ATOM 0 HB2 ASN A 145 29.562 2.001 -20.648 1.00 3.02 H new ATOM 0 HB3 ASN A 145 30.611 3.405 -20.622 1.00 3.02 H new ATOM 0 HD21 ASN A 145 30.772 0.702 -23.717 1.00 32.33 H new ATOM 0 HD22 ASN A 145 29.827 0.396 -22.256 1.00 32.33 H new ATOM 2300 N LYS A 146 33.179 3.233 -19.029 1.00 12.24 N ATOM 2301 CA LYS A 146 34.507 3.837 -18.998 1.00 35.23 C ATOM 2302 C LYS A 146 35.450 3.035 -18.100 1.00 4.21 C ATOM 2303 O LYS A 146 36.637 2.928 -18.381 1.00 1.21 O ATOM 2304 CB LYS A 146 34.389 5.275 -18.469 1.00 72.43 C ATOM 2305 CG LYS A 146 35.701 6.022 -18.308 1.00 71.44 C ATOM 2306 CD LYS A 146 35.460 7.389 -17.705 1.00 61.14 C ATOM 2307 CE LYS A 146 36.750 8.136 -17.458 1.00 24.33 C ATOM 2308 NZ LYS A 146 36.515 9.455 -16.824 1.00 23.20 N ATOM 0 H LYS A 146 32.494 3.700 -18.435 1.00 12.24 H new ATOM 0 HA LYS A 146 34.918 3.840 -20.008 1.00 35.23 H new ATOM 0 HB2 LYS A 146 33.749 5.841 -19.146 1.00 72.43 H new ATOM 0 HB3 LYS A 146 33.885 5.248 -17.503 1.00 72.43 H new ATOM 0 HG2 LYS A 146 36.376 5.451 -17.671 1.00 71.44 H new ATOM 0 HG3 LYS A 146 36.189 6.126 -19.277 1.00 71.44 H new ATOM 0 HD2 LYS A 146 34.826 7.972 -18.372 1.00 61.14 H new ATOM 0 HD3 LYS A 146 34.919 7.280 -16.765 1.00 61.14 H new ATOM 0 HE2 LYS A 146 37.399 7.537 -16.819 1.00 24.33 H new ATOM 0 HE3 LYS A 146 37.274 8.276 -18.403 1.00 24.33 H new ATOM 0 HZ1 LYS A 146 37.425 9.934 -16.672 1.00 23.20 H new ATOM 0 HZ2 LYS A 146 35.917 10.037 -17.445 1.00 23.20 H new ATOM 0 HZ3 LYS A 146 36.038 9.321 -15.910 1.00 23.20 H new ATOM 2322 N ASN A 147 34.891 2.439 -17.054 1.00 13.51 N ATOM 2323 CA ASN A 147 35.650 1.636 -16.069 1.00 43.52 C ATOM 2324 C ASN A 147 36.826 2.434 -15.457 1.00 40.03 C ATOM 2325 O ASN A 147 37.980 2.169 -15.765 1.00 1.34 O ATOM 2326 CB ASN A 147 36.176 0.313 -16.683 1.00 5.30 C ATOM 2327 CG ASN A 147 35.088 -0.628 -17.156 1.00 41.44 C ATOM 2328 OD1 ASN A 147 34.600 -1.464 -16.395 1.00 10.35 O ATOM 2329 ND2 ASN A 147 34.720 -0.526 -18.417 1.00 63.10 N ATOM 0 H ASN A 147 33.892 2.492 -16.853 1.00 13.51 H new ATOM 0 HA ASN A 147 34.948 1.391 -15.272 1.00 43.52 H new ATOM 0 HB2 ASN A 147 36.827 0.550 -17.525 1.00 5.30 H new ATOM 0 HB3 ASN A 147 36.788 -0.201 -15.941 1.00 5.30 H new ATOM 0 HD21 ASN A 147 34.008 -1.152 -18.793 1.00 63.10 H new ATOM 0 HD22 ASN A 147 35.147 0.179 -19.017 1.00 63.10 H new ATOM 2336 N PRO A 148 36.539 3.484 -14.644 1.00 1.00 N ATOM 2337 CA PRO A 148 37.571 4.327 -14.036 1.00 53.34 C ATOM 2338 C PRO A 148 37.801 4.093 -12.514 1.00 3.25 C ATOM 2339 O PRO A 148 38.809 4.515 -11.962 1.00 23.24 O ATOM 2340 CB PRO A 148 36.965 5.710 -14.250 1.00 11.55 C ATOM 2341 CG PRO A 148 35.463 5.496 -14.176 1.00 51.34 C ATOM 2342 CD PRO A 148 35.210 4.007 -14.332 1.00 50.01 C ATOM 0 HA PRO A 148 38.553 4.141 -14.470 1.00 53.34 H new ATOM 0 HB2 PRO A 148 37.302 6.411 -13.486 1.00 11.55 H new ATOM 0 HB3 PRO A 148 37.258 6.124 -15.215 1.00 11.55 H new ATOM 0 HG2 PRO A 148 35.070 5.855 -13.225 1.00 51.34 H new ATOM 0 HG3 PRO A 148 34.956 6.056 -14.962 1.00 51.34 H new ATOM 0 HD2 PRO A 148 34.806 3.568 -13.420 1.00 50.01 H new ATOM 0 HD3 PRO A 148 34.496 3.799 -15.129 1.00 50.01 H new ATOM 2350 N ASN A 149 36.869 3.432 -11.867 1.00 74.31 N ATOM 2351 CA ASN A 149 36.857 3.295 -10.407 1.00 63.22 C ATOM 2352 C ASN A 149 37.528 2.016 -9.924 1.00 72.11 C ATOM 2353 O ASN A 149 37.395 1.642 -8.761 1.00 42.30 O ATOM 2354 CB ASN A 149 35.407 3.374 -9.873 1.00 43.30 C ATOM 2355 CG ASN A 149 34.503 2.252 -10.372 1.00 14.42 C ATOM 2356 OD1 ASN A 149 34.708 1.695 -11.465 1.00 32.25 O ATOM 2357 ND2 ASN A 149 33.483 1.936 -9.608 1.00 45.31 N ATOM 0 H ASN A 149 36.088 2.967 -12.330 1.00 74.31 H new ATOM 0 HA ASN A 149 37.440 4.125 -10.009 1.00 63.22 H new ATOM 0 HB2 ASN A 149 35.430 3.352 -8.783 1.00 43.30 H new ATOM 0 HB3 ASN A 149 34.975 4.332 -10.163 1.00 43.30 H new ATOM 0 HD21 ASN A 149 32.828 1.213 -9.905 1.00 45.31 H new ATOM 0 HD22 ASN A 149 33.346 2.414 -8.717 1.00 45.31 H new ATOM 2364 N GLY A 150 38.252 1.359 -10.794 1.00 32.31 N ATOM 2365 CA GLY A 150 38.935 0.144 -10.402 1.00 22.54 C ATOM 2366 C GLY A 150 38.395 -1.057 -11.112 1.00 63.11 C ATOM 2367 O GLY A 150 39.057 -2.088 -11.202 1.00 64.04 O ATOM 0 H GLY A 150 38.385 1.636 -11.766 1.00 32.31 H new ATOM 0 HA2 GLY A 150 40.000 0.242 -10.614 1.00 22.54 H new ATOM 0 HA3 GLY A 150 38.836 0.004 -9.326 1.00 22.54 H new