USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1228 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 Single : A 7 HIS : no HE2:sc= 0.67 K(o=0.67,f=-5.7!) USER MOD Single : A 13 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN :FLIP amide:sc=-0.00496 F(o=-1.3,f=-0.005) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 1.91 (180deg=1.17) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0475) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 38 THR OG1 : rot -82:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -129:sc= -1.89! USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -1.67 (180deg=-3.28!) USER MOD Single : A 47 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0063) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.163 (180deg=-0.485) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-0.795) USER MOD Single : A 59 GLN : amide:sc= 0.202 K(o=0.2,f=-0.71) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0116 F(o=-1.2!,f=-0.012) USER MOD Single : A 65 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.0049) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= 0.00881 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= -0.182 K(o=-0.18,f=-4.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.0808 X(o=-0.081,f=0.01) USER MOD Single : A 89 THR OG1 : rot -44:sc= 0.575 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 7 HIS : no HE2:sc= 0.776 K(o=0.78,f=-5.5!) USER MOD Single : B 13 ASN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.0258 F(o=-1.2!,f=-0.026) USER MOD Single : B 29 SER OG : rot 180:sc=0.000891 USER MOD Single : B 30 LYS NZ :NH3+ 164:sc= 1.93 (180deg=1.17) USER MOD Single : B 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0538) USER MOD Single : B 35 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : B 38 THR OG1 : rot -80:sc= 1.11 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 THR OG1 : rot -123:sc= -1.9! USER MOD Single : B 46 LYS NZ :NH3+ 137:sc= -1.66 (180deg=-3.2!) USER MOD Single : B 47 ASN : amide:sc= 1.16 K(o=1.2,f=-0.022) USER MOD Single : B 49 LYS NZ :NH3+ 166:sc= -0.184 (180deg=-0.539) USER MOD Single : B 51 LYS NZ :NH3+ 155:sc= -0.198 (180deg=-0.691) USER MOD Single : B 59 GLN : amide:sc= -0.0031 K(o=-0.0031,f=-0.75) USER MOD Single : B 64 ASN :FLIP amide:sc= -0.019 F(o=-1.2,f=-0.019) USER MOD Single : B 65 GLN : amide:sc= -0.129 X(o=-0.13,f=0.042) USER MOD Single : B 68 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ -122:sc= 0.00875 (180deg=0) USER MOD Single : B 86 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-4.3!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=0.0036) USER MOD Single : B 89 THR OG1 : rot -40:sc= 0.665 USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -4.103 7.602 10.077 1.00 1.20 N ATOM 76 CA GLU A 5 -2.876 7.649 9.299 1.00 0.93 C ATOM 77 C GLU A 5 -1.829 6.699 9.857 1.00 0.69 C ATOM 78 O GLU A 5 -0.743 6.584 9.299 1.00 0.68 O ATOM 79 CB GLU A 5 -2.307 9.064 9.270 1.00 1.39 C ATOM 80 CG GLU A 5 -3.303 10.116 8.830 1.00 1.80 C ATOM 81 CD GLU A 5 -2.620 11.384 8.381 1.00 2.48 C ATOM 82 OE1 GLU A 5 -2.361 12.260 9.233 1.00 3.10 O ATOM 83 OE2 GLU A 5 -2.322 11.500 7.175 1.00 3.00 O ATOM 0 HA GLU A 5 -3.126 7.339 8.285 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.940 9.318 10.264 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -1.449 9.086 8.598 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -3.910 9.723 8.015 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.981 10.341 9.653 1.00 1.80 H new ATOM 90 N GLU A 6 -2.161 6.015 10.944 1.00 0.68 N ATOM 91 CA GLU A 6 -1.220 5.119 11.612 1.00 0.67 C ATOM 92 C GLU A 6 -0.557 4.181 10.600 1.00 0.54 C ATOM 93 O GLU A 6 0.664 4.042 10.571 1.00 0.60 O ATOM 94 CB GLU A 6 -1.953 4.307 12.688 1.00 0.78 C ATOM 95 CG GLU A 6 -1.061 3.776 13.804 1.00 1.07 C ATOM 96 CD GLU A 6 0.006 2.817 13.321 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.330 1.863 12.589 1.00 2.48 O ATOM 98 OE2 GLU A 6 1.187 3.006 13.681 1.00 2.51 O ATOM 0 H GLU A 6 -3.079 6.063 11.385 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.441 5.717 12.084 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.730 4.932 13.129 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.454 3.465 12.210 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.582 4.617 14.306 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -1.681 3.273 14.546 1.00 1.07 H new ATOM 105 N HIS A 7 -1.361 3.574 9.744 1.00 0.42 N ATOM 106 CA HIS A 7 -0.850 2.596 8.799 1.00 0.38 C ATOM 107 C HIS A 7 -0.262 3.266 7.557 1.00 0.35 C ATOM 108 O HIS A 7 0.846 2.929 7.153 1.00 0.39 O ATOM 109 CB HIS A 7 -1.936 1.593 8.416 1.00 0.43 C ATOM 110 CG HIS A 7 -2.177 0.525 9.449 1.00 0.95 C ATOM 111 ND1 HIS A 7 -1.663 0.568 10.730 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.873 -0.636 9.373 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.029 -0.514 11.389 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.763 -1.259 10.591 1.00 2.03 N ATOM 0 H HIS A 7 -2.366 3.740 9.684 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.042 2.054 9.291 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.868 2.131 8.241 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.661 1.118 7.475 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -1.088 1.321 11.108 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -3.414 -1.003 8.513 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -1.770 -0.749 12.411 1.00 2.16 H new ATOM 123 N LEU A 8 -0.990 4.210 6.959 1.00 0.34 N ATOM 124 CA LEU A 8 -0.500 4.915 5.770 1.00 0.32 C ATOM 125 C LEU A 8 0.751 5.717 6.082 1.00 0.33 C ATOM 126 O LEU A 8 1.822 5.472 5.526 1.00 0.33 O ATOM 127 CB LEU A 8 -1.563 5.867 5.248 1.00 0.33 C ATOM 128 CG LEU A 8 -2.904 5.215 4.936 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.866 6.237 4.375 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.730 4.053 3.968 1.00 0.33 C ATOM 0 H LEU A 8 -1.915 4.504 7.274 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.265 4.162 5.018 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.720 6.654 5.985 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.189 6.347 4.344 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.318 4.821 5.864 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.820 5.757 4.157 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.018 7.032 5.105 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.454 6.660 3.459 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.701 3.604 3.761 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.292 4.416 3.038 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.072 3.306 4.411 1.00 0.33 H new ATOM 142 N GLU A 9 0.608 6.663 6.994 1.00 0.37 N ATOM 143 CA GLU A 9 1.710 7.516 7.382 1.00 0.40 C ATOM 144 C GLU A 9 2.776 6.686 8.076 1.00 0.40 C ATOM 145 O GLU A 9 3.954 7.018 8.039 1.00 0.42 O ATOM 146 CB GLU A 9 1.213 8.637 8.295 1.00 0.47 C ATOM 147 CG GLU A 9 2.302 9.588 8.750 1.00 1.24 C ATOM 148 CD GLU A 9 1.784 10.641 9.703 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.567 10.320 10.893 1.00 2.41 O ATOM 150 OE2 GLU A 9 1.596 11.795 9.271 1.00 2.17 O ATOM 0 H GLU A 9 -0.267 6.858 7.480 1.00 0.37 H new ATOM 0 HA GLU A 9 2.146 7.972 6.493 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.444 9.205 7.771 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.741 8.195 9.172 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.096 9.021 9.236 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.743 10.074 7.880 1.00 1.24 H new ATOM 157 N GLY A 10 2.350 5.595 8.698 1.00 0.40 N ATOM 158 CA GLY A 10 3.288 4.665 9.281 1.00 0.43 C ATOM 159 C GLY A 10 4.165 4.005 8.241 1.00 0.39 C ATOM 160 O GLY A 10 5.370 3.899 8.427 1.00 0.44 O ATOM 0 H GLY A 10 1.369 5.340 8.808 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.915 5.189 10.002 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.742 3.899 9.831 1.00 0.43 H new ATOM 164 N ILE A 11 3.560 3.553 7.150 1.00 0.34 N ATOM 165 CA ILE A 11 4.311 2.965 6.047 1.00 0.33 C ATOM 166 C ILE A 11 5.252 4.002 5.442 1.00 0.33 C ATOM 167 O ILE A 11 6.431 3.729 5.208 1.00 0.38 O ATOM 168 CB ILE A 11 3.366 2.399 4.957 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.719 1.091 5.426 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.108 2.177 3.652 1.00 0.50 C ATOM 171 CD1 ILE A 11 3.700 -0.053 5.581 1.00 1.16 C ATOM 0 H ILE A 11 2.551 3.582 7.005 1.00 0.34 H new ATOM 0 HA ILE A 11 4.897 2.136 6.444 1.00 0.33 H new ATOM 0 HB ILE A 11 2.581 3.135 4.784 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.222 1.264 6.381 1.00 0.41 H new ATOM 0 HG13 ILE A 11 1.947 0.802 4.713 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.420 1.780 2.906 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.517 3.124 3.300 1.00 0.50 H new ATOM 0 HG23 ILE A 11 4.920 1.468 3.811 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.169 -0.944 5.915 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.179 -0.254 4.623 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.458 0.215 6.317 1.00 1.16 H new ATOM 183 N VAL A 12 4.722 5.198 5.222 1.00 0.33 N ATOM 184 CA VAL A 12 5.512 6.310 4.705 1.00 0.38 C ATOM 185 C VAL A 12 6.686 6.630 5.637 1.00 0.40 C ATOM 186 O VAL A 12 7.820 6.829 5.190 1.00 0.45 O ATOM 187 CB VAL A 12 4.617 7.556 4.506 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.446 8.812 4.285 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.680 7.331 3.332 1.00 0.48 C ATOM 0 H VAL A 12 3.743 5.425 5.394 1.00 0.33 H new ATOM 0 HA VAL A 12 5.923 6.018 3.738 1.00 0.38 H new ATOM 0 HB VAL A 12 4.034 7.703 5.415 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.783 9.666 4.149 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.085 8.983 5.151 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.065 8.688 3.396 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.051 8.211 3.195 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.264 7.158 2.428 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.051 6.463 3.529 1.00 0.48 H new ATOM 199 N ASN A 13 6.408 6.647 6.933 1.00 0.42 N ATOM 200 CA ASN A 13 7.426 6.894 7.948 1.00 0.48 C ATOM 201 C ASN A 13 8.445 5.761 7.988 1.00 0.48 C ATOM 202 O ASN A 13 9.633 5.993 8.203 1.00 0.58 O ATOM 203 CB ASN A 13 6.768 7.062 9.325 1.00 0.61 C ATOM 204 CG ASN A 13 7.776 7.226 10.446 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.234 8.332 10.725 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.108 6.131 11.111 1.00 1.42 N ATOM 0 H ASN A 13 5.474 6.491 7.311 1.00 0.42 H new ATOM 0 HA ASN A 13 7.950 7.814 7.688 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.111 7.931 9.304 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.142 6.194 9.531 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.767 6.186 11.887 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.705 5.232 10.847 1.00 1.42 H new ATOM 213 N ILE A 14 7.975 4.538 7.780 1.00 0.47 N ATOM 214 CA ILE A 14 8.845 3.370 7.764 1.00 0.57 C ATOM 215 C ILE A 14 9.811 3.433 6.581 1.00 0.53 C ATOM 216 O ILE A 14 10.994 3.126 6.724 1.00 0.60 O ATOM 217 CB ILE A 14 8.022 2.048 7.763 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.961 1.452 9.175 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.586 1.021 6.789 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.354 2.369 10.215 1.00 2.06 C ATOM 0 H ILE A 14 6.990 4.329 7.619 1.00 0.47 H new ATOM 0 HA ILE A 14 9.437 3.377 8.679 1.00 0.57 H new ATOM 0 HB ILE A 14 7.014 2.299 7.432 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.384 0.528 9.142 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.971 1.186 9.488 1.00 1.33 H new ATOM 0 HG21 ILE A 14 7.980 0.116 6.823 1.00 1.14 H new ATOM 0 HG22 ILE A 14 8.570 1.431 5.779 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.612 0.781 7.067 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.350 1.869 11.183 1.00 2.06 H new ATOM 0 HD12 ILE A 14 7.943 3.284 10.282 1.00 2.06 H new ATOM 0 HD13 ILE A 14 6.331 2.616 9.930 1.00 2.06 H new ATOM 232 N PHE A 15 9.320 3.866 5.421 1.00 0.48 N ATOM 233 CA PHE A 15 10.192 4.063 4.268 1.00 0.58 C ATOM 234 C PHE A 15 11.209 5.150 4.568 1.00 0.60 C ATOM 235 O PHE A 15 12.393 5.009 4.283 1.00 0.70 O ATOM 236 CB PHE A 15 9.391 4.437 3.020 1.00 0.68 C ATOM 237 CG PHE A 15 8.538 3.323 2.491 1.00 1.18 C ATOM 238 CD1 PHE A 15 9.007 2.020 2.486 1.00 1.74 C ATOM 239 CD2 PHE A 15 7.273 3.578 1.996 1.00 1.93 C ATOM 240 CE1 PHE A 15 8.232 0.992 1.997 1.00 2.35 C ATOM 241 CE2 PHE A 15 6.492 2.551 1.503 1.00 2.54 C ATOM 242 CZ PHE A 15 6.973 1.257 1.505 1.00 2.57 C ATOM 0 H PHE A 15 8.337 4.084 5.257 1.00 0.48 H new ATOM 0 HA PHE A 15 10.707 3.122 4.072 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.754 5.291 3.251 1.00 0.68 H new ATOM 0 HB3 PHE A 15 10.081 4.756 2.239 1.00 0.68 H new ATOM 0 HD1 PHE A 15 9.993 1.807 2.871 1.00 1.74 H new ATOM 0 HD2 PHE A 15 6.892 4.589 1.995 1.00 1.93 H new ATOM 0 HE1 PHE A 15 8.610 -0.020 1.999 1.00 2.35 H new ATOM 0 HE2 PHE A 15 5.506 2.760 1.116 1.00 2.54 H new ATOM 0 HZ PHE A 15 6.363 0.453 1.121 1.00 2.57 H new ATOM 252 N HIS A 16 10.730 6.221 5.180 1.00 0.59 N ATOM 253 CA HIS A 16 11.574 7.345 5.556 1.00 0.71 C ATOM 254 C HIS A 16 12.597 6.929 6.618 1.00 0.75 C ATOM 255 O HIS A 16 13.631 7.571 6.789 1.00 0.88 O ATOM 256 CB HIS A 16 10.692 8.479 6.084 1.00 0.77 C ATOM 257 CG HIS A 16 11.413 9.768 6.298 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.925 10.151 7.515 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.684 10.777 5.443 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.477 11.341 7.400 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.345 11.747 6.150 1.00 2.23 N ATOM 0 H HIS A 16 9.748 6.336 5.430 1.00 0.59 H new ATOM 0 HA HIS A 16 12.124 7.686 4.679 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.875 8.645 5.382 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.243 8.166 7.027 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.427 10.813 4.395 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.957 11.893 8.195 1.00 2.22 H new ATOM 0 HE2 HIS A 16 12.679 12.634 5.774 1.00 2.23 H new ATOM 270 N GLN A 17 12.292 5.848 7.323 1.00 0.69 N ATOM 271 CA GLN A 17 13.139 5.361 8.404 1.00 0.81 C ATOM 272 C GLN A 17 14.301 4.522 7.873 1.00 0.93 C ATOM 273 O GLN A 17 15.430 4.640 8.349 1.00 1.18 O ATOM 274 CB GLN A 17 12.301 4.533 9.382 1.00 0.85 C ATOM 275 CG GLN A 17 13.095 3.932 10.532 1.00 1.27 C ATOM 276 CD GLN A 17 12.246 3.059 11.438 1.00 1.99 C ATOM 277 OE1 GLN A 17 11.228 2.426 10.873 1.00 2.60 O flip ATOM 278 NE2 GLN A 17 12.509 2.948 12.635 1.00 2.77 N flip ATOM 0 H GLN A 17 11.456 5.287 7.163 1.00 0.69 H new ATOM 0 HA GLN A 17 13.560 6.225 8.919 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.512 5.164 9.791 1.00 0.85 H new ATOM 0 HB3 GLN A 17 11.813 3.728 8.833 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.917 3.340 10.130 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.539 4.735 11.120 1.00 1.27 H new ATOM 0 HE21 GLN A 17 13.302 3.452 13.032 1.00 2.77 H new ATOM 0 HE22 GLN A 17 11.934 2.352 13.230 1.00 2.77 H new ATOM 452 N LEU A 28 18.669 6.470 -2.916 1.00 1.14 N ATOM 453 CA LEU A 28 17.532 5.615 -2.600 1.00 0.90 C ATOM 454 C LEU A 28 17.489 4.441 -3.573 1.00 0.71 C ATOM 455 O LEU A 28 16.603 4.343 -4.422 1.00 0.76 O ATOM 456 CB LEU A 28 16.210 6.397 -2.665 1.00 1.66 C ATOM 457 CG LEU A 28 16.010 7.478 -1.595 1.00 2.02 C ATOM 458 CD1 LEU A 28 16.874 8.699 -1.873 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.544 7.875 -1.509 1.00 2.37 C ATOM 0 HA LEU A 28 17.654 5.245 -1.582 1.00 0.90 H new ATOM 0 HB2 LEU A 28 16.138 6.868 -3.645 1.00 1.66 H new ATOM 0 HB3 LEU A 28 15.387 5.686 -2.592 1.00 1.66 H new ATOM 0 HG LEU A 28 16.319 7.060 -0.637 1.00 2.02 H new ATOM 0 HD11 LEU A 28 16.709 9.446 -1.097 1.00 2.91 H new ATOM 0 HD12 LEU A 28 17.924 8.408 -1.879 1.00 2.91 H new ATOM 0 HD13 LEU A 28 16.609 9.119 -2.843 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.419 8.643 -0.745 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.215 8.265 -2.472 1.00 2.37 H new ATOM 0 HD23 LEU A 28 13.945 7.002 -1.247 1.00 2.37 H new ATOM 471 N SER A 29 18.473 3.568 -3.456 1.00 0.61 N ATOM 472 CA SER A 29 18.613 2.443 -4.356 1.00 0.49 C ATOM 473 C SER A 29 18.143 1.150 -3.694 1.00 0.44 C ATOM 474 O SER A 29 17.556 1.183 -2.608 1.00 0.53 O ATOM 475 CB SER A 29 20.067 2.331 -4.819 1.00 0.55 C ATOM 476 OG SER A 29 20.956 2.316 -3.715 1.00 1.35 O ATOM 0 H SER A 29 19.194 3.620 -2.736 1.00 0.61 H new ATOM 0 HA SER A 29 17.981 2.609 -5.228 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.196 1.421 -5.406 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.309 3.169 -5.473 1.00 0.55 H new ATOM 0 HG SER A 29 21.878 2.242 -4.039 1.00 1.35 H new ATOM 482 N LYS A 30 18.390 0.019 -4.348 1.00 0.38 N ATOM 483 CA LYS A 30 17.938 -1.281 -3.858 1.00 0.36 C ATOM 484 C LYS A 30 18.395 -1.537 -2.425 1.00 0.36 C ATOM 485 O LYS A 30 17.720 -2.233 -1.682 1.00 0.37 O ATOM 486 CB LYS A 30 18.459 -2.387 -4.766 1.00 0.39 C ATOM 487 CG LYS A 30 17.616 -3.652 -4.750 1.00 0.41 C ATOM 488 CD LYS A 30 18.236 -4.750 -5.601 1.00 0.50 C ATOM 489 CE LYS A 30 18.735 -4.239 -6.956 1.00 0.52 C ATOM 490 NZ LYS A 30 17.637 -3.783 -7.851 1.00 1.32 N ATOM 0 H LYS A 30 18.906 -0.024 -5.227 1.00 0.38 H new ATOM 0 HA LYS A 30 16.848 -1.276 -3.867 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.510 -2.010 -5.787 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.477 -2.638 -4.468 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.507 -4.004 -3.724 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.615 -3.427 -5.118 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.068 -5.198 -5.058 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.500 -5.537 -5.763 1.00 0.50 H new ATOM 0 HE2 LYS A 30 19.428 -3.414 -6.793 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.294 -5.032 -7.453 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 18.035 -3.223 -8.632 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 17.138 -4.610 -8.237 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 16.969 -3.197 -7.310 1.00 1.32 H new ATOM 504 N GLY A 31 19.534 -0.967 -2.047 1.00 0.39 N ATOM 505 CA GLY A 31 20.061 -1.154 -0.704 1.00 0.40 C ATOM 506 C GLY A 31 19.089 -0.738 0.383 1.00 0.38 C ATOM 507 O GLY A 31 18.952 -1.429 1.397 1.00 0.39 O ATOM 0 H GLY A 31 20.106 -0.375 -2.649 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.323 -2.203 -0.566 1.00 0.40 H new ATOM 0 HA3 GLY A 31 20.981 -0.580 -0.599 1.00 0.40 H new ATOM 511 N GLU A 32 18.406 0.378 0.166 1.00 0.44 N ATOM 512 CA GLU A 32 17.476 0.917 1.149 1.00 0.50 C ATOM 513 C GLU A 32 16.261 0.011 1.274 1.00 0.42 C ATOM 514 O GLU A 32 15.804 -0.298 2.377 1.00 0.44 O ATOM 515 CB GLU A 32 17.035 2.319 0.740 1.00 0.67 C ATOM 516 CG GLU A 32 18.196 3.259 0.451 1.00 0.96 C ATOM 517 CD GLU A 32 19.124 3.435 1.635 1.00 1.58 C ATOM 518 OE1 GLU A 32 20.062 2.625 1.782 1.00 2.44 O ATOM 519 OE2 GLU A 32 18.936 4.394 2.413 1.00 2.10 O ATOM 0 H GLU A 32 18.480 0.931 -0.688 1.00 0.44 H new ATOM 0 HA GLU A 32 17.980 0.969 2.114 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.405 2.249 -0.147 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.422 2.745 1.534 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.765 2.875 -0.396 1.00 0.96 H new ATOM 0 HG3 GLU A 32 17.804 4.232 0.156 1.00 0.96 H new ATOM 526 N LEU A 33 15.759 -0.421 0.125 1.00 0.38 N ATOM 527 CA LEU A 33 14.626 -1.325 0.065 1.00 0.34 C ATOM 528 C LEU A 33 14.995 -2.650 0.708 1.00 0.29 C ATOM 529 O LEU A 33 14.293 -3.143 1.576 1.00 0.32 O ATOM 530 CB LEU A 33 14.221 -1.547 -1.390 1.00 0.34 C ATOM 531 CG LEU A 33 12.942 -2.356 -1.588 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.730 -1.570 -1.122 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.779 -2.773 -3.037 1.00 0.46 C ATOM 0 H LEU A 33 16.127 -0.154 -0.788 1.00 0.38 H new ATOM 0 HA LEU A 33 13.786 -0.888 0.605 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.096 -0.576 -1.869 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.037 -2.054 -1.905 1.00 0.34 H new ATOM 0 HG LEU A 33 13.021 -3.259 -0.982 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.830 -2.166 -1.273 1.00 0.52 H new ATOM 0 HD12 LEU A 33 11.835 -1.333 -0.063 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.653 -0.646 -1.695 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.860 -3.348 -3.149 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.731 -1.885 -3.668 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.629 -3.386 -3.337 1.00 0.46 H new ATOM 545 N LYS A 34 16.125 -3.192 0.280 1.00 0.29 N ATOM 546 CA LYS A 34 16.637 -4.463 0.770 1.00 0.31 C ATOM 547 C LYS A 34 16.738 -4.479 2.292 1.00 0.35 C ATOM 548 O LYS A 34 16.303 -5.435 2.936 1.00 0.41 O ATOM 549 CB LYS A 34 18.007 -4.733 0.141 1.00 0.34 C ATOM 550 CG LYS A 34 18.848 -5.753 0.893 1.00 0.53 C ATOM 551 CD LYS A 34 20.202 -5.950 0.237 1.00 0.85 C ATOM 552 CE LYS A 34 21.185 -6.621 1.182 1.00 1.30 C ATOM 553 NZ LYS A 34 20.690 -7.936 1.670 1.00 1.87 N ATOM 0 H LYS A 34 16.719 -2.757 -0.426 1.00 0.29 H new ATOM 0 HA LYS A 34 15.939 -5.250 0.483 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.863 -5.081 -0.882 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.559 -3.795 0.083 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.986 -5.424 1.923 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.319 -6.705 0.931 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.088 -6.556 -0.662 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.599 -4.985 -0.078 1.00 0.85 H new ATOM 0 HE2 LYS A 34 22.138 -6.760 0.672 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.372 -5.967 2.034 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.460 -8.438 2.156 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 19.902 -7.786 2.332 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.361 -8.504 0.863 1.00 1.87 H new ATOM 567 N GLN A 35 17.316 -3.424 2.857 1.00 0.35 N ATOM 568 CA GLN A 35 17.422 -3.294 4.298 1.00 0.43 C ATOM 569 C GLN A 35 16.050 -3.421 4.940 1.00 0.43 C ATOM 570 O GLN A 35 15.813 -4.330 5.732 1.00 0.50 O ATOM 571 CB GLN A 35 18.054 -1.955 4.663 1.00 0.50 C ATOM 572 CG GLN A 35 18.247 -1.787 6.152 1.00 1.07 C ATOM 573 CD GLN A 35 18.923 -0.480 6.528 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.691 0.564 5.748 1.00 2.46 O flip ATOM 575 NE2 GLN A 35 19.644 -0.410 7.521 1.00 2.07 N flip ATOM 0 H GLN A 35 17.718 -2.647 2.333 1.00 0.35 H new ATOM 0 HA GLN A 35 18.059 -4.094 4.674 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.019 -1.865 4.163 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.425 -1.147 4.289 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.276 -1.841 6.645 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.843 -2.618 6.530 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.799 -1.237 8.098 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.087 0.475 7.768 1.00 2.07 H new ATOM 584 N LEU A 36 15.146 -2.528 4.558 1.00 0.38 N ATOM 585 CA LEU A 36 13.787 -2.523 5.076 1.00 0.39 C ATOM 586 C LEU A 36 13.150 -3.898 4.928 1.00 0.38 C ATOM 587 O LEU A 36 12.654 -4.467 5.881 1.00 0.45 O ATOM 588 CB LEU A 36 12.973 -1.465 4.324 1.00 0.36 C ATOM 589 CG LEU A 36 11.529 -1.262 4.786 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.087 0.150 4.470 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.590 -2.253 4.109 1.00 0.40 C ATOM 0 H LEU A 36 15.335 -1.789 3.881 1.00 0.38 H new ATOM 0 HA LEU A 36 13.804 -2.280 6.138 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.495 -0.511 4.405 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.959 -1.732 3.267 1.00 0.36 H new ATOM 0 HG LEU A 36 11.489 -1.431 5.862 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.058 0.292 4.800 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.735 0.858 4.987 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.150 0.319 3.395 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.571 -2.085 4.457 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.632 -2.114 3.029 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.894 -3.270 4.356 1.00 0.40 H new ATOM 603 N LEU A 37 13.205 -4.429 3.732 1.00 0.34 N ATOM 604 CA LEU A 37 12.548 -5.681 3.405 1.00 0.35 C ATOM 605 C LEU A 37 13.016 -6.844 4.271 1.00 0.41 C ATOM 606 O LEU A 37 12.199 -7.533 4.884 1.00 0.45 O ATOM 607 CB LEU A 37 12.799 -5.996 1.943 1.00 0.34 C ATOM 608 CG LEU A 37 12.159 -5.014 0.967 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.411 -5.440 -0.468 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.673 -4.884 1.250 1.00 0.32 C ATOM 0 H LEU A 37 13.708 -4.007 2.951 1.00 0.34 H new ATOM 0 HA LEU A 37 11.483 -5.556 3.601 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.875 -6.015 1.768 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.424 -6.997 1.730 1.00 0.34 H new ATOM 0 HG LEU A 37 12.618 -4.035 1.106 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.946 -4.725 -1.147 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.484 -5.472 -0.655 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.984 -6.429 -0.634 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.229 -4.180 0.546 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.195 -5.857 1.140 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.527 -4.521 2.267 1.00 0.32 H new ATOM 622 N THR A 38 14.321 -7.043 4.333 1.00 0.45 N ATOM 623 CA THR A 38 14.889 -8.202 4.998 1.00 0.53 C ATOM 624 C THR A 38 14.568 -8.214 6.488 1.00 0.59 C ATOM 625 O THR A 38 14.300 -9.270 7.065 1.00 0.66 O ATOM 626 CB THR A 38 16.417 -8.261 4.801 1.00 0.55 C ATOM 627 OG1 THR A 38 17.002 -6.982 5.087 1.00 1.23 O ATOM 628 CG2 THR A 38 16.768 -8.674 3.382 1.00 1.03 C ATOM 0 H THR A 38 15.012 -6.411 3.927 1.00 0.45 H new ATOM 0 HA THR A 38 14.434 -9.081 4.540 1.00 0.53 H new ATOM 0 HB THR A 38 16.816 -9.006 5.489 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.910 -6.398 4.305 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.852 -8.708 3.270 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.351 -9.660 3.176 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.353 -7.951 2.680 1.00 1.03 H new ATOM 636 N LYS A 39 14.595 -7.046 7.113 1.00 0.58 N ATOM 637 CA LYS A 39 14.415 -6.969 8.549 1.00 0.66 C ATOM 638 C LYS A 39 12.975 -6.645 8.963 1.00 0.64 C ATOM 639 O LYS A 39 12.516 -7.097 10.013 1.00 0.72 O ATOM 640 CB LYS A 39 15.383 -5.949 9.142 1.00 0.72 C ATOM 641 CG LYS A 39 15.216 -4.543 8.594 1.00 0.68 C ATOM 642 CD LYS A 39 16.495 -3.723 8.730 1.00 0.73 C ATOM 643 CE LYS A 39 16.942 -3.615 10.181 1.00 0.87 C ATOM 644 NZ LYS A 39 18.199 -2.835 10.327 1.00 1.61 N ATOM 0 H LYS A 39 14.739 -6.148 6.651 1.00 0.58 H new ATOM 0 HA LYS A 39 14.632 -7.960 8.947 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.250 -5.924 10.224 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.404 -6.281 8.954 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.928 -4.595 7.544 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.405 -4.041 9.123 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.287 -4.183 8.138 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.332 -2.725 8.324 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.154 -3.143 10.768 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.088 -4.615 10.589 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 18.464 -2.788 11.332 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.959 -3.298 9.789 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 18.054 -1.872 9.962 1.00 1.61 H new ATOM 658 N GLU A 40 12.261 -5.885 8.143 1.00 0.57 N ATOM 659 CA GLU A 40 10.983 -5.327 8.542 1.00 0.58 C ATOM 660 C GLU A 40 9.818 -6.173 8.025 1.00 0.56 C ATOM 661 O GLU A 40 8.852 -6.411 8.742 1.00 0.64 O ATOM 662 CB GLU A 40 10.908 -3.887 8.026 1.00 0.58 C ATOM 663 CG GLU A 40 9.605 -3.173 8.284 1.00 0.87 C ATOM 664 CD GLU A 40 9.376 -2.848 9.752 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.098 -1.985 10.298 1.00 1.63 O ATOM 666 OE2 GLU A 40 8.480 -3.453 10.369 1.00 1.67 O ATOM 0 H GLU A 40 12.549 -5.642 7.195 1.00 0.57 H new ATOM 0 HA GLU A 40 10.902 -5.330 9.629 1.00 0.58 H new ATOM 0 HB2 GLU A 40 11.714 -3.313 8.484 1.00 0.58 H new ATOM 0 HB3 GLU A 40 11.092 -3.894 6.952 1.00 0.58 H new ATOM 0 HG2 GLU A 40 9.585 -2.248 7.707 1.00 0.87 H new ATOM 0 HG3 GLU A 40 8.783 -3.791 7.924 1.00 0.87 H new ATOM 673 N LEU A 41 9.924 -6.669 6.799 1.00 0.50 N ATOM 674 CA LEU A 41 8.834 -7.435 6.202 1.00 0.49 C ATOM 675 C LEU A 41 9.255 -8.890 6.049 1.00 0.52 C ATOM 676 O LEU A 41 8.769 -9.609 5.171 1.00 0.53 O ATOM 677 CB LEU A 41 8.428 -6.843 4.844 1.00 0.43 C ATOM 678 CG LEU A 41 8.170 -5.333 4.840 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.716 -4.872 3.465 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.141 -4.956 5.898 1.00 1.42 C ATOM 0 H LEU A 41 10.744 -6.557 6.203 1.00 0.50 H new ATOM 0 HA LEU A 41 7.967 -7.383 6.860 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.213 -7.063 4.121 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.527 -7.350 4.500 1.00 0.43 H new ATOM 0 HG LEU A 41 9.105 -4.828 5.081 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.538 -3.797 3.482 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.489 -5.100 2.731 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.795 -5.388 3.194 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.974 -3.879 5.876 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.203 -5.473 5.694 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.508 -5.246 6.882 1.00 1.42 H new ATOM 692 N ALA A 42 10.158 -9.307 6.936 1.00 0.58 N ATOM 693 CA ALA A 42 10.753 -10.642 6.904 1.00 0.64 C ATOM 694 C ALA A 42 9.718 -11.767 6.921 1.00 0.71 C ATOM 695 O ALA A 42 9.982 -12.862 6.425 1.00 0.78 O ATOM 696 CB ALA A 42 11.697 -10.807 8.082 1.00 0.71 C ATOM 0 H ALA A 42 10.499 -8.725 7.701 1.00 0.58 H new ATOM 0 HA ALA A 42 11.293 -10.722 5.960 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.140 -11.803 8.057 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.486 -10.057 8.024 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.144 -10.679 9.012 1.00 0.71 H new ATOM 702 N ASN A 43 8.548 -11.500 7.481 1.00 0.74 N ATOM 703 CA ASN A 43 7.561 -12.549 7.693 1.00 0.83 C ATOM 704 C ASN A 43 6.330 -12.381 6.808 1.00 0.83 C ATOM 705 O ASN A 43 5.290 -12.976 7.078 1.00 1.07 O ATOM 706 CB ASN A 43 7.139 -12.580 9.162 1.00 0.99 C ATOM 707 CG ASN A 43 8.220 -13.133 10.070 1.00 1.28 C ATOM 708 OD1 ASN A 43 8.299 -14.341 10.295 1.00 1.56 O ATOM 709 ND2 ASN A 43 9.051 -12.257 10.610 1.00 2.16 N ATOM 0 H ASN A 43 8.260 -10.573 7.795 1.00 0.74 H new ATOM 0 HA ASN A 43 8.033 -13.493 7.419 1.00 0.83 H new ATOM 0 HB2 ASN A 43 6.882 -11.571 9.483 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.239 -13.186 9.264 1.00 0.99 H new ATOM 0 HD21 ASN A 43 9.790 -12.575 11.237 1.00 2.16 H new ATOM 0 HD22 ASN A 43 8.953 -11.264 10.399 1.00 2.16 H new ATOM 716 N THR A 44 6.439 -11.588 5.755 1.00 0.65 N ATOM 717 CA THR A 44 5.303 -11.374 4.871 1.00 0.61 C ATOM 718 C THR A 44 5.620 -11.839 3.463 1.00 0.59 C ATOM 719 O THR A 44 5.063 -12.819 2.970 1.00 0.66 O ATOM 720 CB THR A 44 4.904 -9.891 4.818 1.00 0.56 C ATOM 721 OG1 THR A 44 4.720 -9.395 6.145 1.00 0.65 O ATOM 722 CG2 THR A 44 3.617 -9.706 4.027 1.00 0.53 C ATOM 0 H THR A 44 7.289 -11.088 5.493 1.00 0.65 H new ATOM 0 HA THR A 44 4.474 -11.955 5.275 1.00 0.61 H new ATOM 0 HB THR A 44 5.702 -9.337 4.323 1.00 0.56 H new ATOM 0 HG1 THR A 44 3.852 -8.944 6.208 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.354 -8.649 4.003 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.761 -10.068 3.009 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.814 -10.269 4.502 1.00 0.53 H new ATOM 730 N ILE A 45 6.535 -11.130 2.836 1.00 0.52 N ATOM 731 CA ILE A 45 6.879 -11.367 1.452 1.00 0.52 C ATOM 732 C ILE A 45 7.699 -12.649 1.318 1.00 0.59 C ATOM 733 O ILE A 45 8.607 -12.892 2.116 1.00 0.60 O ATOM 734 CB ILE A 45 7.671 -10.171 0.898 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.916 -8.859 1.155 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.942 -10.357 -0.590 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.591 -7.641 0.558 1.00 0.36 C ATOM 0 H ILE A 45 7.061 -10.373 3.273 1.00 0.52 H new ATOM 0 HA ILE A 45 5.960 -11.483 0.877 1.00 0.52 H new ATOM 0 HB ILE A 45 8.628 -10.119 1.416 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.909 -8.943 0.745 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.811 -8.715 2.230 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.503 -9.502 -0.967 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.521 -11.268 -0.743 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.996 -10.434 -1.125 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.000 -6.752 0.780 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.587 -7.531 0.986 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.671 -7.762 -0.522 1.00 0.36 H new ATOM 749 N LYS A 46 7.353 -13.477 0.327 1.00 0.67 N ATOM 750 CA LYS A 46 8.032 -14.751 0.119 1.00 0.73 C ATOM 751 C LYS A 46 9.526 -14.544 -0.051 1.00 0.68 C ATOM 752 O LYS A 46 9.951 -13.735 -0.878 1.00 0.63 O ATOM 753 CB LYS A 46 7.453 -15.495 -1.104 1.00 0.82 C ATOM 754 CG LYS A 46 7.901 -14.967 -2.469 1.00 0.79 C ATOM 755 CD LYS A 46 9.153 -15.689 -2.966 1.00 0.75 C ATOM 756 CE LYS A 46 9.513 -15.287 -4.387 1.00 0.88 C ATOM 757 NZ LYS A 46 9.655 -13.817 -4.537 1.00 1.61 N ATOM 0 H LYS A 46 6.607 -13.284 -0.341 1.00 0.67 H new ATOM 0 HA LYS A 46 7.865 -15.365 1.004 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.730 -16.547 -1.032 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.365 -15.448 -1.055 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.095 -15.095 -3.192 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.100 -13.898 -2.399 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.988 -15.465 -2.303 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.992 -16.766 -2.923 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.446 -15.771 -4.674 1.00 0.88 H new ATOM 0 HE3 LYS A 46 8.744 -15.647 -5.070 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.453 -13.608 -5.171 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.781 -13.423 -4.940 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 9.831 -13.388 -3.606 1.00 1.61 H new ATOM 771 N ASN A 47 10.307 -15.260 0.755 1.00 0.71 N ATOM 772 CA ASN A 47 11.765 -15.239 0.654 1.00 0.67 C ATOM 773 C ASN A 47 12.295 -13.822 0.530 1.00 0.59 C ATOM 774 O ASN A 47 13.219 -13.566 -0.233 1.00 0.57 O ATOM 775 CB ASN A 47 12.235 -16.054 -0.546 1.00 0.69 C ATOM 776 CG ASN A 47 12.214 -17.547 -0.298 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.182 -18.204 -0.457 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.362 -18.097 0.059 1.00 1.24 N ATOM 0 H ASN A 47 9.950 -15.868 1.492 1.00 0.71 H new ATOM 0 HA ASN A 47 12.155 -15.680 1.571 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.601 -15.826 -1.403 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.248 -15.750 -0.809 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.419 -19.103 0.214 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.191 -17.515 0.179 1.00 1.24 H new ATOM 785 N ILE A 48 11.708 -12.908 1.286 1.00 0.55 N ATOM 786 CA ILE A 48 12.095 -11.502 1.249 1.00 0.48 C ATOM 787 C ILE A 48 13.557 -11.327 1.665 1.00 0.48 C ATOM 788 O ILE A 48 14.144 -10.253 1.549 1.00 0.43 O ATOM 789 CB ILE A 48 11.179 -10.673 2.171 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.381 -9.179 1.943 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.424 -11.026 3.626 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.125 -8.753 0.517 1.00 0.38 C ATOM 0 H ILE A 48 10.953 -13.116 1.940 1.00 0.55 H new ATOM 0 HA ILE A 48 11.985 -11.145 0.225 1.00 0.48 H new ATOM 0 HB ILE A 48 10.145 -10.917 1.925 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.717 -8.624 2.606 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.401 -8.911 2.217 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.768 -10.430 4.260 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.218 -12.085 3.783 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.463 -10.817 3.881 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.286 -7.679 0.424 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.807 -9.282 -0.149 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.096 -8.990 0.245 1.00 0.38 H new ATOM 804 N LYS A 49 14.130 -12.413 2.139 1.00 0.56 N ATOM 805 CA LYS A 49 15.508 -12.445 2.567 1.00 0.57 C ATOM 806 C LYS A 49 16.426 -12.636 1.368 1.00 0.55 C ATOM 807 O LYS A 49 17.626 -12.372 1.433 1.00 0.56 O ATOM 808 CB LYS A 49 15.686 -13.588 3.555 1.00 0.65 C ATOM 809 CG LYS A 49 14.624 -13.594 4.644 1.00 0.73 C ATOM 810 CD LYS A 49 14.569 -12.274 5.408 1.00 0.72 C ATOM 811 CE LYS A 49 15.409 -12.295 6.678 1.00 0.82 C ATOM 812 NZ LYS A 49 16.848 -12.549 6.409 1.00 1.11 N ATOM 0 H LYS A 49 13.646 -13.305 2.238 1.00 0.56 H new ATOM 0 HA LYS A 49 15.767 -11.501 3.047 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.654 -14.536 3.017 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.672 -13.515 4.015 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.650 -13.793 4.197 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.827 -14.407 5.342 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.917 -11.469 4.760 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.534 -12.051 5.666 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.303 -11.341 7.195 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.027 -13.065 7.349 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.405 -12.321 7.257 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 16.984 -13.551 6.164 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.164 -11.953 5.617 1.00 1.11 H new ATOM 826 N ASP A 50 15.843 -13.088 0.268 1.00 0.55 N ATOM 827 CA ASP A 50 16.598 -13.368 -0.940 1.00 0.56 C ATOM 828 C ASP A 50 16.775 -12.119 -1.769 1.00 0.50 C ATOM 829 O ASP A 50 15.818 -11.415 -2.076 1.00 0.47 O ATOM 830 CB ASP A 50 15.913 -14.448 -1.777 1.00 0.62 C ATOM 831 CG ASP A 50 16.203 -15.849 -1.281 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.460 -16.346 -0.411 1.00 1.58 O ATOM 833 OD2 ASP A 50 17.174 -16.466 -1.768 1.00 1.57 O ATOM 0 H ASP A 50 14.842 -13.269 0.189 1.00 0.55 H new ATOM 0 HA ASP A 50 17.580 -13.730 -0.635 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.836 -14.280 -1.767 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.240 -14.360 -2.813 1.00 0.62 H new ATOM 838 N LYS A 51 18.021 -11.864 -2.129 1.00 0.50 N ATOM 839 CA LYS A 51 18.376 -10.724 -2.951 1.00 0.48 C ATOM 840 C LYS A 51 17.706 -10.839 -4.310 1.00 0.50 C ATOM 841 O LYS A 51 17.383 -9.840 -4.937 1.00 0.48 O ATOM 842 CB LYS A 51 19.883 -10.683 -3.135 1.00 0.53 C ATOM 843 CG LYS A 51 20.500 -9.290 -3.094 1.00 0.83 C ATOM 844 CD LYS A 51 19.879 -8.353 -4.116 1.00 0.60 C ATOM 845 CE LYS A 51 20.764 -7.147 -4.377 1.00 0.83 C ATOM 846 NZ LYS A 51 22.093 -7.537 -4.915 1.00 0.92 N ATOM 0 H LYS A 51 18.815 -12.444 -1.858 1.00 0.50 H new ATOM 0 HA LYS A 51 18.041 -9.810 -2.460 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.345 -11.292 -2.358 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.130 -11.145 -4.091 1.00 0.53 H new ATOM 0 HG2 LYS A 51 20.376 -8.869 -2.096 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.572 -9.364 -3.277 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.711 -8.891 -5.049 1.00 0.60 H new ATOM 0 HD3 LYS A 51 18.904 -8.020 -3.760 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.269 -6.480 -5.083 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.898 -6.588 -3.451 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.484 -6.753 -5.475 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.736 -7.754 -4.127 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.990 -8.377 -5.520 1.00 0.92 H new ATOM 860 N ALA A 52 17.503 -12.069 -4.756 1.00 0.55 N ATOM 861 CA ALA A 52 16.823 -12.317 -6.015 1.00 0.60 C ATOM 862 C ALA A 52 15.382 -11.875 -5.897 1.00 0.58 C ATOM 863 O ALA A 52 14.824 -11.261 -6.802 1.00 0.60 O ATOM 864 CB ALA A 52 16.889 -13.787 -6.370 1.00 0.67 C ATOM 0 H ALA A 52 17.800 -12.911 -4.263 1.00 0.55 H new ATOM 0 HA ALA A 52 17.315 -11.751 -6.806 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.375 -13.956 -7.316 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.931 -14.092 -6.464 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.409 -14.373 -5.586 1.00 0.67 H new ATOM 870 N VAL A 53 14.810 -12.164 -4.741 1.00 0.54 N ATOM 871 CA VAL A 53 13.443 -11.781 -4.437 1.00 0.53 C ATOM 872 C VAL A 53 13.354 -10.272 -4.344 1.00 0.47 C ATOM 873 O VAL A 53 12.481 -9.643 -4.941 1.00 0.48 O ATOM 874 CB VAL A 53 12.980 -12.417 -3.109 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.712 -11.757 -2.578 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.755 -13.907 -3.290 1.00 0.60 C ATOM 0 H VAL A 53 15.279 -12.669 -3.989 1.00 0.54 H new ATOM 0 HA VAL A 53 12.791 -12.139 -5.234 1.00 0.53 H new ATOM 0 HB VAL A 53 13.770 -12.258 -2.375 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.419 -12.233 -1.642 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.899 -10.697 -2.403 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.911 -11.868 -3.308 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.429 -14.343 -2.346 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.989 -14.070 -4.049 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.685 -14.380 -3.606 1.00 0.60 H new ATOM 886 N ILE A 54 14.298 -9.706 -3.616 1.00 0.42 N ATOM 887 CA ILE A 54 14.388 -8.269 -3.432 1.00 0.36 C ATOM 888 C ILE A 54 14.567 -7.544 -4.751 1.00 0.38 C ATOM 889 O ILE A 54 13.958 -6.505 -4.985 1.00 0.38 O ATOM 890 CB ILE A 54 15.560 -7.937 -2.520 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.242 -8.435 -1.121 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.861 -6.440 -2.526 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.357 -8.212 -0.142 1.00 0.38 C ATOM 0 H ILE A 54 15.027 -10.232 -3.134 1.00 0.42 H new ATOM 0 HA ILE A 54 13.453 -7.937 -2.982 1.00 0.36 H new ATOM 0 HB ILE A 54 16.458 -8.435 -2.885 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.345 -7.932 -0.759 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.015 -9.500 -1.165 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.703 -6.236 -1.865 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.109 -6.123 -3.539 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.986 -5.891 -2.179 1.00 0.32 H new ATOM 0 HD11 ILE A 54 16.063 -8.591 0.837 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.250 -8.737 -0.481 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.569 -7.145 -0.069 1.00 0.38 H new ATOM 905 N ASP A 55 15.407 -8.099 -5.607 1.00 0.43 N ATOM 906 CA ASP A 55 15.697 -7.488 -6.889 1.00 0.47 C ATOM 907 C ASP A 55 14.439 -7.473 -7.713 1.00 0.48 C ATOM 908 O ASP A 55 14.054 -6.453 -8.258 1.00 0.49 O ATOM 909 CB ASP A 55 16.774 -8.262 -7.637 1.00 0.55 C ATOM 910 CG ASP A 55 17.629 -7.360 -8.504 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.136 -6.290 -8.928 1.00 1.44 O ATOM 912 OD2 ASP A 55 18.798 -7.705 -8.754 1.00 1.53 O ATOM 0 H ASP A 55 15.901 -8.975 -5.435 1.00 0.43 H new ATOM 0 HA ASP A 55 16.060 -6.474 -6.719 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.409 -8.783 -6.920 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.305 -9.024 -8.260 1.00 0.55 H new ATOM 917 N GLU A 56 13.791 -8.621 -7.755 1.00 0.51 N ATOM 918 CA GLU A 56 12.533 -8.786 -8.451 1.00 0.54 C ATOM 919 C GLU A 56 11.499 -7.769 -7.979 1.00 0.47 C ATOM 920 O GLU A 56 10.762 -7.198 -8.783 1.00 0.49 O ATOM 921 CB GLU A 56 12.027 -10.202 -8.218 1.00 0.58 C ATOM 922 CG GLU A 56 12.756 -11.253 -9.036 1.00 0.69 C ATOM 923 CD GLU A 56 12.809 -10.913 -10.508 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.783 -11.082 -11.200 1.00 1.66 O ATOM 925 OE2 GLU A 56 13.875 -10.480 -10.984 1.00 1.77 O ATOM 0 H GLU A 56 14.127 -9.471 -7.303 1.00 0.51 H new ATOM 0 HA GLU A 56 12.692 -8.617 -9.516 1.00 0.54 H new ATOM 0 HB2 GLU A 56 12.126 -10.444 -7.160 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.964 -10.242 -8.456 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.772 -11.363 -8.656 1.00 0.69 H new ATOM 0 HG3 GLU A 56 12.261 -12.216 -8.907 1.00 0.69 H new ATOM 932 N ILE A 57 11.458 -7.534 -6.673 1.00 0.42 N ATOM 933 CA ILE A 57 10.534 -6.575 -6.102 1.00 0.39 C ATOM 934 C ILE A 57 10.933 -5.158 -6.480 1.00 0.36 C ATOM 935 O ILE A 57 10.112 -4.377 -6.959 1.00 0.37 O ATOM 936 CB ILE A 57 10.507 -6.705 -4.578 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.986 -8.082 -4.180 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.658 -5.610 -3.966 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.990 -8.327 -2.691 1.00 1.00 C ATOM 0 H ILE A 57 12.058 -7.999 -5.991 1.00 0.42 H new ATOM 0 HA ILE A 57 9.541 -6.784 -6.500 1.00 0.39 H new ATOM 0 HB ILE A 57 11.523 -6.596 -4.198 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.969 -8.198 -4.555 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.594 -8.845 -4.666 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.651 -5.719 -2.881 1.00 0.59 H new ATOM 0 HG22 ILE A 57 10.073 -4.637 -4.230 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.639 -5.685 -4.345 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.606 -9.326 -2.486 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.008 -8.244 -2.311 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.358 -7.588 -2.199 1.00 1.00 H new ATOM 951 N PHE A 58 12.207 -4.840 -6.275 1.00 0.35 N ATOM 952 CA PHE A 58 12.724 -3.521 -6.592 1.00 0.36 C ATOM 953 C PHE A 58 12.463 -3.202 -8.050 1.00 0.41 C ATOM 954 O PHE A 58 12.041 -2.108 -8.379 1.00 0.44 O ATOM 955 CB PHE A 58 14.226 -3.427 -6.312 1.00 0.38 C ATOM 956 CG PHE A 58 14.741 -2.020 -6.397 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.113 -1.474 -7.613 1.00 1.12 C ATOM 958 CD2 PHE A 58 14.831 -1.234 -5.264 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.563 -0.175 -7.693 1.00 1.16 C ATOM 960 CE2 PHE A 58 15.286 0.065 -5.340 1.00 1.68 C ATOM 961 CZ PHE A 58 15.651 0.597 -6.556 1.00 0.93 C ATOM 0 H PHE A 58 12.899 -5.482 -5.889 1.00 0.35 H new ATOM 0 HA PHE A 58 12.211 -2.800 -5.956 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.433 -3.826 -5.319 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.765 -4.051 -7.025 1.00 0.38 H new ATOM 0 HD1 PHE A 58 15.050 -2.073 -8.509 1.00 1.12 H new ATOM 0 HD2 PHE A 58 14.541 -1.642 -4.307 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.847 0.239 -8.649 1.00 1.16 H new ATOM 0 HE2 PHE A 58 15.356 0.666 -4.445 1.00 1.68 H new ATOM 0 HZ PHE A 58 16.005 1.615 -6.618 1.00 0.93 H new ATOM 971 N GLN A 59 12.703 -4.182 -8.907 1.00 0.45 N ATOM 972 CA GLN A 59 12.474 -4.044 -10.336 1.00 0.52 C ATOM 973 C GLN A 59 10.994 -3.822 -10.622 1.00 0.52 C ATOM 974 O GLN A 59 10.626 -3.182 -11.606 1.00 0.57 O ATOM 975 CB GLN A 59 12.957 -5.297 -11.066 1.00 0.58 C ATOM 976 CG GLN A 59 14.462 -5.505 -11.015 1.00 0.61 C ATOM 977 CD GLN A 59 14.897 -6.748 -11.764 1.00 1.10 C ATOM 978 OE1 GLN A 59 14.257 -7.161 -12.733 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.982 -7.354 -11.315 1.00 1.63 N ATOM 0 H GLN A 59 13.062 -5.096 -8.631 1.00 0.45 H new ATOM 0 HA GLN A 59 13.034 -3.179 -10.693 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.466 -6.168 -10.633 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.644 -5.240 -12.109 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.961 -4.634 -11.440 1.00 0.61 H new ATOM 0 HG3 GLN A 59 14.781 -5.580 -9.975 1.00 0.61 H new ATOM 0 HE21 GLN A 59 16.481 -6.976 -10.509 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.321 -8.199 -11.774 1.00 1.63 H new ATOM 988 N GLY A 60 10.150 -4.360 -9.750 1.00 0.48 N ATOM 989 CA GLY A 60 8.723 -4.153 -9.874 1.00 0.49 C ATOM 990 C GLY A 60 8.341 -2.718 -9.579 1.00 0.47 C ATOM 991 O GLY A 60 7.317 -2.228 -10.055 1.00 0.53 O ATOM 0 H GLY A 60 10.431 -4.937 -8.958 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.403 -4.416 -10.882 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.197 -4.818 -9.189 1.00 0.49 H new ATOM 995 N LEU A 61 9.169 -2.041 -8.794 1.00 0.42 N ATOM 996 CA LEU A 61 8.936 -0.641 -8.477 1.00 0.44 C ATOM 997 C LEU A 61 9.719 0.226 -9.456 1.00 0.51 C ATOM 998 O LEU A 61 9.193 1.188 -10.021 1.00 0.58 O ATOM 999 CB LEU A 61 9.353 -0.328 -7.029 1.00 0.39 C ATOM 1000 CG LEU A 61 9.483 -1.540 -6.097 1.00 0.34 C ATOM 1001 CD1 LEU A 61 10.122 -1.128 -4.783 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.123 -2.182 -5.841 1.00 0.35 C ATOM 0 H LEU A 61 10.005 -2.439 -8.367 1.00 0.42 H new ATOM 0 HA LEU A 61 7.871 -0.426 -8.568 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.309 0.195 -7.051 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.624 0.360 -6.601 1.00 0.39 H new ATOM 0 HG LEU A 61 10.121 -2.276 -6.586 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.208 -1.998 -4.132 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.114 -0.718 -4.974 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.504 -0.372 -4.299 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.244 -3.038 -5.178 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.459 -1.454 -5.376 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.693 -2.513 -6.786 1.00 0.35 H new ATOM 1014 N ASP A 62 10.970 -0.160 -9.667 1.00 0.50 N ATOM 1015 CA ASP A 62 11.859 0.501 -10.611 1.00 0.59 C ATOM 1016 C ASP A 62 11.579 -0.006 -12.019 1.00 0.70 C ATOM 1017 O ASP A 62 12.396 -0.686 -12.637 1.00 0.75 O ATOM 1018 CB ASP A 62 13.322 0.248 -10.219 1.00 0.57 C ATOM 1019 CG ASP A 62 14.317 0.952 -11.125 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.206 2.182 -11.311 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.233 0.279 -11.639 1.00 1.11 O ATOM 0 H ASP A 62 11.400 -0.948 -9.183 1.00 0.50 H new ATOM 0 HA ASP A 62 11.681 1.576 -10.587 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.478 0.579 -9.192 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.517 -0.824 -10.241 1.00 0.57 H new ATOM 1026 N ALA A 63 10.398 0.327 -12.513 1.00 0.78 N ATOM 1027 CA ALA A 63 9.951 -0.121 -13.823 1.00 0.94 C ATOM 1028 C ALA A 63 10.745 0.550 -14.932 1.00 1.12 C ATOM 1029 O ALA A 63 10.809 0.057 -16.058 1.00 1.30 O ATOM 1030 CB ALA A 63 8.472 0.174 -13.989 1.00 0.99 C ATOM 0 H ALA A 63 9.724 0.913 -12.020 1.00 0.78 H new ATOM 0 HA ALA A 63 10.116 -1.196 -13.893 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.142 -0.163 -14.972 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.908 -0.349 -13.217 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.303 1.247 -13.898 1.00 0.99 H new ATOM 1036 N ASN A 64 11.348 1.678 -14.602 1.00 1.09 N ATOM 1037 CA ASN A 64 12.106 2.451 -15.572 1.00 1.28 C ATOM 1038 C ASN A 64 13.563 2.006 -15.612 1.00 1.21 C ATOM 1039 O ASN A 64 14.356 2.506 -16.414 1.00 1.37 O ATOM 1040 CB ASN A 64 12.015 3.942 -15.247 1.00 1.34 C ATOM 1041 CG ASN A 64 10.616 4.509 -15.418 1.00 2.03 C ATOM 1042 OD1 ASN A 64 9.852 3.958 -16.350 1.00 2.55 O flip ATOM 1043 ND2 ASN A 64 10.227 5.446 -14.721 1.00 2.80 N flip ATOM 0 H ASN A 64 11.328 2.081 -13.665 1.00 1.09 H new ATOM 0 HA ASN A 64 11.673 2.276 -16.557 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.342 4.104 -14.220 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.703 4.490 -15.891 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.843 5.845 -14.013 1.00 2.80 H new ATOM 0 HD22 ASN A 64 9.288 5.823 -14.852 1.00 2.80 H new ATOM 1050 N GLN A 65 13.898 1.061 -14.730 1.00 1.03 N ATOM 1051 CA GLN A 65 15.231 0.462 -14.673 1.00 1.05 C ATOM 1052 C GLN A 65 16.317 1.506 -14.434 1.00 1.04 C ATOM 1053 O GLN A 65 17.399 1.432 -15.017 1.00 1.17 O ATOM 1054 CB GLN A 65 15.525 -0.325 -15.954 1.00 1.31 C ATOM 1055 CG GLN A 65 14.683 -1.581 -16.102 1.00 1.37 C ATOM 1056 CD GLN A 65 14.971 -2.606 -15.023 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.340 -2.610 -13.969 1.00 2.72 O ATOM 1058 NE2 GLN A 65 15.926 -3.484 -15.278 1.00 2.57 N ATOM 0 H GLN A 65 13.250 0.690 -14.035 1.00 1.03 H new ATOM 0 HA GLN A 65 15.240 -0.223 -13.825 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.353 0.321 -16.815 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.579 -0.601 -15.967 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.627 -1.312 -16.070 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.869 -2.026 -17.080 1.00 1.37 H new ATOM 0 HE21 GLN A 65 16.428 -3.448 -16.165 1.00 2.57 H new ATOM 0 HE22 GLN A 65 16.161 -4.197 -14.587 1.00 2.57 H new ATOM 1067 N ASP A 66 16.035 2.465 -13.563 1.00 0.93 N ATOM 1068 CA ASP A 66 17.006 3.500 -13.230 1.00 0.95 C ATOM 1069 C ASP A 66 17.715 3.154 -11.931 1.00 0.81 C ATOM 1070 O ASP A 66 18.673 3.820 -11.526 1.00 0.82 O ATOM 1071 CB ASP A 66 16.341 4.877 -13.108 1.00 1.06 C ATOM 1072 CG ASP A 66 16.002 5.498 -14.449 1.00 1.42 C ATOM 1073 OD1 ASP A 66 16.932 5.965 -15.141 1.00 1.89 O ATOM 1074 OD2 ASP A 66 14.807 5.549 -14.810 1.00 2.13 O ATOM 0 H ASP A 66 15.144 2.549 -13.074 1.00 0.93 H new ATOM 0 HA ASP A 66 17.733 3.546 -14.041 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.429 4.782 -12.518 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.005 5.547 -12.562 1.00 1.06 H new ATOM 1079 N GLU A 67 17.226 2.092 -11.295 1.00 0.73 N ATOM 1080 CA GLU A 67 17.747 1.600 -10.028 1.00 0.63 C ATOM 1081 C GLU A 67 17.594 2.663 -8.938 1.00 0.58 C ATOM 1082 O GLU A 67 18.523 2.953 -8.181 1.00 0.60 O ATOM 1083 CB GLU A 67 19.203 1.146 -10.179 1.00 0.68 C ATOM 1084 CG GLU A 67 19.735 0.368 -8.986 1.00 0.97 C ATOM 1085 CD GLU A 67 18.940 -0.881 -8.673 1.00 1.42 C ATOM 1086 OE1 GLU A 67 18.674 -1.678 -9.594 1.00 2.02 O ATOM 1087 OE2 GLU A 67 18.610 -1.084 -7.489 1.00 2.01 O ATOM 0 H GLU A 67 16.445 1.543 -11.653 1.00 0.73 H new ATOM 0 HA GLU A 67 17.165 0.730 -9.725 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.289 0.526 -11.071 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.831 2.022 -10.338 1.00 0.68 H new ATOM 0 HG2 GLU A 67 20.772 0.090 -9.177 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.735 1.017 -8.110 1.00 0.97 H new ATOM 1094 N GLN A 68 16.406 3.247 -8.875 1.00 0.61 N ATOM 1095 CA GLN A 68 16.096 4.260 -7.876 1.00 0.65 C ATOM 1096 C GLN A 68 14.619 4.183 -7.493 1.00 0.66 C ATOM 1097 O GLN A 68 13.743 4.343 -8.336 1.00 0.78 O ATOM 1098 CB GLN A 68 16.447 5.660 -8.402 1.00 0.85 C ATOM 1099 CG GLN A 68 15.763 6.017 -9.714 1.00 1.38 C ATOM 1100 CD GLN A 68 16.071 7.428 -10.180 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.274 7.902 -9.894 1.00 2.16 O flip ATOM 1102 NE2 GLN A 68 15.240 8.082 -10.809 1.00 2.07 N flip ATOM 0 H GLN A 68 15.636 3.035 -9.509 1.00 0.61 H new ATOM 0 HA GLN A 68 16.697 4.071 -6.986 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.174 6.399 -7.649 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.527 5.726 -8.537 1.00 0.85 H new ATOM 0 HG2 GLN A 68 16.074 5.310 -10.483 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.685 5.906 -9.597 1.00 1.38 H new ATOM 0 HE21 GLN A 68 14.323 7.683 -11.010 1.00 2.07 H new ATOM 0 HE22 GLN A 68 15.468 9.023 -11.129 1.00 2.07 H new ATOM 1111 N VAL A 69 14.351 3.915 -6.226 1.00 0.59 N ATOM 1112 CA VAL A 69 12.987 3.766 -5.751 1.00 0.64 C ATOM 1113 C VAL A 69 12.491 5.030 -5.033 1.00 0.64 C ATOM 1114 O VAL A 69 13.022 5.429 -3.994 1.00 0.68 O ATOM 1115 CB VAL A 69 12.868 2.530 -4.822 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.849 2.614 -3.662 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.449 2.360 -4.313 1.00 1.22 C ATOM 0 H VAL A 69 15.064 3.796 -5.506 1.00 0.59 H new ATOM 0 HA VAL A 69 12.351 3.614 -6.623 1.00 0.64 H new ATOM 0 HB VAL A 69 13.122 1.651 -5.414 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.741 1.733 -3.029 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.867 2.660 -4.049 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.643 3.509 -3.075 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.397 1.485 -3.665 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.155 3.246 -3.751 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.773 2.226 -5.158 1.00 1.22 H new ATOM 1127 N ASP A 70 11.490 5.676 -5.619 1.00 0.67 N ATOM 1128 CA ASP A 70 10.825 6.813 -4.983 1.00 0.73 C ATOM 1129 C ASP A 70 9.770 6.305 -4.003 1.00 0.64 C ATOM 1130 O ASP A 70 9.480 5.113 -3.984 1.00 0.56 O ATOM 1131 CB ASP A 70 10.170 7.712 -6.045 1.00 0.84 C ATOM 1132 CG ASP A 70 9.459 8.921 -5.462 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.123 9.947 -5.217 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.230 8.850 -5.237 1.00 1.99 O ATOM 0 H ASP A 70 11.118 5.433 -6.537 1.00 0.67 H new ATOM 0 HA ASP A 70 11.566 7.401 -4.442 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.935 8.052 -6.743 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.455 7.122 -6.618 1.00 0.84 H new ATOM 1139 N PHE A 71 9.194 7.189 -3.202 1.00 0.70 N ATOM 1140 CA PHE A 71 8.127 6.802 -2.286 1.00 0.66 C ATOM 1141 C PHE A 71 6.935 6.220 -3.047 1.00 0.55 C ATOM 1142 O PHE A 71 6.209 5.376 -2.527 1.00 0.48 O ATOM 1143 CB PHE A 71 7.687 7.996 -1.443 1.00 0.82 C ATOM 1144 CG PHE A 71 8.741 8.472 -0.483 1.00 1.12 C ATOM 1145 CD1 PHE A 71 8.871 7.887 0.767 1.00 1.92 C ATOM 1146 CD2 PHE A 71 9.602 9.501 -0.829 1.00 1.50 C ATOM 1147 CE1 PHE A 71 9.840 8.318 1.652 1.00 2.17 C ATOM 1148 CE2 PHE A 71 10.572 9.937 0.053 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.691 9.345 1.295 1.00 1.76 C ATOM 0 H PHE A 71 9.445 8.177 -3.166 1.00 0.70 H new ATOM 0 HA PHE A 71 8.516 6.030 -1.622 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.412 8.817 -2.105 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.792 7.725 -0.883 1.00 0.82 H new ATOM 0 HD1 PHE A 71 8.207 7.085 1.052 1.00 1.92 H new ATOM 0 HD2 PHE A 71 9.514 9.967 -1.799 1.00 1.50 H new ATOM 0 HE1 PHE A 71 9.932 7.852 2.622 1.00 2.17 H new ATOM 0 HE2 PHE A 71 11.237 10.740 -0.229 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.448 9.685 1.986 1.00 1.76 H new ATOM 1159 N GLN A 72 6.738 6.674 -4.280 1.00 0.59 N ATOM 1160 CA GLN A 72 5.701 6.121 -5.148 1.00 0.56 C ATOM 1161 C GLN A 72 6.041 4.687 -5.549 1.00 0.49 C ATOM 1162 O GLN A 72 5.174 3.824 -5.639 1.00 0.47 O ATOM 1163 CB GLN A 72 5.535 6.984 -6.398 1.00 0.69 C ATOM 1164 CG GLN A 72 4.539 6.422 -7.393 1.00 0.74 C ATOM 1165 CD GLN A 72 4.440 7.258 -8.651 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.404 7.901 -9.064 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.272 7.261 -9.269 1.00 1.66 N ATOM 0 H GLN A 72 7.283 7.425 -4.703 1.00 0.59 H new ATOM 0 HA GLN A 72 4.762 6.116 -4.594 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.215 7.983 -6.101 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.503 7.092 -6.887 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.830 5.406 -7.658 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.557 6.360 -6.924 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.496 6.715 -8.895 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.147 7.810 -10.120 1.00 1.66 H new ATOM 1176 N GLU A 73 7.310 4.439 -5.790 1.00 0.49 N ATOM 1177 CA GLU A 73 7.771 3.103 -6.120 1.00 0.46 C ATOM 1178 C GLU A 73 7.816 2.237 -4.864 1.00 0.36 C ATOM 1179 O GLU A 73 7.566 1.035 -4.916 1.00 0.32 O ATOM 1180 CB GLU A 73 9.120 3.194 -6.820 1.00 0.56 C ATOM 1181 CG GLU A 73 9.014 3.920 -8.149 1.00 0.78 C ATOM 1182 CD GLU A 73 10.341 4.392 -8.682 1.00 1.15 C ATOM 1183 OE1 GLU A 73 10.772 5.496 -8.291 1.00 1.82 O ATOM 1184 OE2 GLU A 73 10.942 3.682 -9.507 1.00 1.99 O ATOM 0 H GLU A 73 8.045 5.146 -5.764 1.00 0.49 H new ATOM 0 HA GLU A 73 7.075 2.622 -6.807 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.830 3.714 -6.177 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.514 2.191 -6.983 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.552 3.257 -8.881 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.352 4.778 -8.034 1.00 0.78 H new ATOM 1191 N PHE A 74 8.102 2.862 -3.726 1.00 0.37 N ATOM 1192 CA PHE A 74 7.940 2.208 -2.431 1.00 0.34 C ATOM 1193 C PHE A 74 6.472 1.864 -2.209 1.00 0.32 C ATOM 1194 O PHE A 74 6.139 0.911 -1.510 1.00 0.33 O ATOM 1195 CB PHE A 74 8.428 3.111 -1.295 1.00 0.43 C ATOM 1196 CG PHE A 74 9.909 3.073 -1.033 1.00 0.78 C ATOM 1197 CD1 PHE A 74 10.524 1.898 -0.632 1.00 1.44 C ATOM 1198 CD2 PHE A 74 10.683 4.217 -1.162 1.00 1.31 C ATOM 1199 CE1 PHE A 74 11.881 1.863 -0.369 1.00 1.92 C ATOM 1200 CE2 PHE A 74 12.039 4.188 -0.897 1.00 1.77 C ATOM 1201 CZ PHE A 74 12.637 3.009 -0.500 1.00 1.89 C ATOM 0 H PHE A 74 8.447 3.820 -3.674 1.00 0.37 H new ATOM 0 HA PHE A 74 8.538 1.297 -2.432 1.00 0.34 H new ATOM 0 HB2 PHE A 74 8.142 4.138 -1.522 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.907 2.830 -0.380 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.936 0.998 -0.524 1.00 1.44 H new ATOM 0 HD2 PHE A 74 10.220 5.142 -1.473 1.00 1.31 H new ATOM 0 HE1 PHE A 74 12.348 0.939 -0.061 1.00 1.92 H new ATOM 0 HE2 PHE A 74 12.630 5.086 -1.000 1.00 1.77 H new ATOM 0 HZ PHE A 74 13.696 2.984 -0.292 1.00 1.89 H new ATOM 1211 N ILE A 75 5.602 2.648 -2.828 1.00 0.33 N ATOM 1212 CA ILE A 75 4.170 2.412 -2.773 1.00 0.35 C ATOM 1213 C ILE A 75 3.846 1.099 -3.462 1.00 0.34 C ATOM 1214 O ILE A 75 3.042 0.302 -2.973 1.00 0.36 O ATOM 1215 CB ILE A 75 3.401 3.588 -3.425 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.842 4.507 -2.355 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.293 3.103 -4.346 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.493 5.876 -2.873 1.00 0.67 C ATOM 0 H ILE A 75 5.869 3.463 -3.380 1.00 0.33 H new ATOM 0 HA ILE A 75 3.855 2.347 -1.732 1.00 0.35 H new ATOM 0 HB ILE A 75 4.109 4.145 -4.038 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.951 4.051 -1.923 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.572 4.605 -1.551 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.780 3.961 -4.781 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.722 2.494 -5.142 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.581 2.506 -3.776 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.099 6.484 -2.058 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.386 6.350 -3.280 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.741 5.788 -3.657 1.00 0.67 H new ATOM 1230 N SER A 76 4.506 0.872 -4.586 1.00 0.34 N ATOM 1231 CA SER A 76 4.382 -0.380 -5.290 1.00 0.36 C ATOM 1232 C SER A 76 4.867 -1.529 -4.411 1.00 0.31 C ATOM 1233 O SER A 76 4.298 -2.608 -4.430 1.00 0.33 O ATOM 1234 CB SER A 76 5.164 -0.320 -6.600 1.00 0.45 C ATOM 1235 OG SER A 76 4.651 0.699 -7.445 1.00 0.74 O ATOM 0 H SER A 76 5.133 1.545 -5.026 1.00 0.34 H new ATOM 0 HA SER A 76 3.333 -0.557 -5.526 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.217 -0.131 -6.392 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.107 -1.283 -7.108 1.00 0.45 H new ATOM 0 HG SER A 76 5.166 0.723 -8.278 1.00 0.74 H new ATOM 1241 N LEU A 77 5.898 -1.278 -3.610 1.00 0.28 N ATOM 1242 CA LEU A 77 6.412 -2.286 -2.685 1.00 0.26 C ATOM 1243 C LEU A 77 5.308 -2.738 -1.737 1.00 0.23 C ATOM 1244 O LEU A 77 5.128 -3.934 -1.510 1.00 0.23 O ATOM 1245 CB LEU A 77 7.620 -1.722 -1.905 1.00 0.30 C ATOM 1246 CG LEU A 77 8.214 -2.608 -0.789 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.414 -2.502 0.504 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.300 -4.056 -1.242 1.00 1.15 C ATOM 0 H LEU A 77 6.394 -0.387 -3.582 1.00 0.28 H new ATOM 0 HA LEU A 77 6.749 -3.154 -3.251 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.412 -1.504 -2.621 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.322 -0.773 -1.460 1.00 0.30 H new ATOM 0 HG LEU A 77 9.221 -2.243 -0.585 1.00 0.38 H new ATOM 0 HD11 LEU A 77 7.865 -3.140 1.264 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.417 -1.468 0.850 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.387 -2.821 0.324 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.721 -4.663 -0.441 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.302 -4.420 -1.487 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.938 -4.124 -2.123 1.00 1.15 H new ATOM 1260 N VAL A 78 4.563 -1.783 -1.198 1.00 0.24 N ATOM 1261 CA VAL A 78 3.479 -2.102 -0.280 1.00 0.25 C ATOM 1262 C VAL A 78 2.421 -2.907 -1.004 1.00 0.27 C ATOM 1263 O VAL A 78 1.782 -3.766 -0.423 1.00 0.28 O ATOM 1264 CB VAL A 78 2.812 -0.845 0.304 1.00 0.29 C ATOM 1265 CG1 VAL A 78 1.952 -1.207 1.499 1.00 0.33 C ATOM 1266 CG2 VAL A 78 3.851 0.194 0.679 1.00 0.31 C ATOM 0 H VAL A 78 4.688 -0.787 -1.379 1.00 0.24 H new ATOM 0 HA VAL A 78 3.916 -2.670 0.541 1.00 0.25 H new ATOM 0 HB VAL A 78 2.168 -0.412 -0.462 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.488 -0.306 1.900 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.177 -1.908 1.190 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.573 -1.668 2.268 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.355 1.073 1.090 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.528 -0.222 1.425 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.418 0.478 -0.208 1.00 0.31 H new ATOM 1276 N ALA A 79 2.250 -2.620 -2.283 1.00 0.31 N ATOM 1277 CA ALA A 79 1.329 -3.372 -3.115 1.00 0.35 C ATOM 1278 C ALA A 79 1.744 -4.842 -3.163 1.00 0.33 C ATOM 1279 O ALA A 79 0.937 -5.741 -2.916 1.00 0.33 O ATOM 1280 CB ALA A 79 1.293 -2.778 -4.514 1.00 0.43 C ATOM 0 H ALA A 79 2.739 -1.868 -2.769 1.00 0.31 H new ATOM 0 HA ALA A 79 0.329 -3.312 -2.686 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.600 -3.347 -5.133 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.964 -1.740 -4.460 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.290 -2.820 -4.953 1.00 0.43 H new ATOM 1286 N ILE A 80 3.018 -5.067 -3.463 1.00 0.32 N ATOM 1287 CA ILE A 80 3.604 -6.406 -3.464 1.00 0.32 C ATOM 1288 C ILE A 80 3.427 -7.061 -2.096 1.00 0.28 C ATOM 1289 O ILE A 80 3.048 -8.228 -1.986 1.00 0.31 O ATOM 1290 CB ILE A 80 5.123 -6.356 -3.812 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.358 -6.200 -5.323 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.846 -7.598 -3.306 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.736 -4.968 -5.937 1.00 0.40 C ATOM 0 H ILE A 80 3.675 -4.328 -3.713 1.00 0.32 H new ATOM 0 HA ILE A 80 3.088 -6.992 -4.224 1.00 0.32 H new ATOM 0 HB ILE A 80 5.531 -5.479 -3.309 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.432 -6.179 -5.509 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.964 -7.080 -5.831 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.903 -7.534 -3.564 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.740 -7.665 -2.223 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.413 -8.485 -3.769 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.955 -4.944 -7.005 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.656 -4.993 -5.788 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.147 -4.077 -5.462 1.00 0.40 H new ATOM 1305 N ALA A 81 3.687 -6.280 -1.061 1.00 0.23 N ATOM 1306 CA ALA A 81 3.673 -6.762 0.308 1.00 0.23 C ATOM 1307 C ALA A 81 2.265 -7.119 0.784 1.00 0.23 C ATOM 1308 O ALA A 81 2.062 -8.153 1.415 1.00 0.28 O ATOM 1309 CB ALA A 81 4.304 -5.718 1.207 1.00 0.24 C ATOM 0 H ALA A 81 3.915 -5.290 -1.148 1.00 0.23 H new ATOM 0 HA ALA A 81 4.253 -7.684 0.353 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.297 -6.073 2.238 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.332 -5.540 0.892 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.737 -4.789 1.139 1.00 0.24 H new ATOM 1315 N LEU A 82 1.297 -6.265 0.479 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.091 -6.505 0.855 1.00 0.23 C ATOM 1317 C LEU A 82 -0.645 -7.699 0.087 1.00 0.24 C ATOM 1318 O LEU A 82 -1.500 -8.440 0.586 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.950 -5.272 0.576 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.562 -4.001 1.335 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.447 -2.847 0.907 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.664 -4.215 2.831 1.00 0.31 C ATOM 0 H LEU A 82 1.448 -5.395 -0.031 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.121 -6.718 1.924 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.911 -5.060 -0.492 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.986 -5.513 0.815 1.00 0.25 H new ATOM 0 HG LEU A 82 0.474 -3.760 1.095 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.162 -1.948 1.453 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.328 -2.675 -0.163 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.488 -3.088 1.122 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.383 -3.298 3.350 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.689 -4.480 3.092 1.00 0.31 H new ATOM 0 HD23 LEU A 82 0.007 -5.021 3.130 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.172 -7.870 -1.142 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.482 -9.064 -1.907 1.00 0.33 C ATOM 1336 C LYS A 83 0.117 -10.274 -1.215 1.00 0.31 C ATOM 1337 O LYS A 83 -0.568 -11.248 -0.977 1.00 0.44 O ATOM 1338 CB LYS A 83 0.046 -8.969 -3.339 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.905 -8.310 -4.325 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.259 -9.230 -5.483 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.248 -10.307 -5.068 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.614 -11.189 -6.210 1.00 1.67 N ATOM 0 H LYS A 83 0.425 -7.198 -1.625 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.566 -9.163 -1.960 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.982 -8.411 -3.330 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.277 -9.973 -3.694 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.817 -8.015 -3.806 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.450 -7.399 -4.713 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.683 -8.642 -6.297 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.352 -9.698 -5.866 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -1.816 -10.908 -4.268 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.147 -9.840 -4.666 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.639 -11.135 -6.376 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.109 -10.879 -7.064 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.350 -12.170 -5.989 1.00 1.67 H new ATOM 1356 N ALA A 84 1.392 -10.187 -0.867 1.00 0.31 N ATOM 1357 CA ALA A 84 2.072 -11.271 -0.171 1.00 0.35 C ATOM 1358 C ALA A 84 1.418 -11.584 1.177 1.00 0.33 C ATOM 1359 O ALA A 84 1.556 -12.689 1.693 1.00 0.40 O ATOM 1360 CB ALA A 84 3.540 -10.935 0.020 1.00 0.48 C ATOM 0 H ALA A 84 1.979 -9.374 -1.056 1.00 0.31 H new ATOM 0 HA ALA A 84 1.986 -12.163 -0.791 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.036 -11.754 0.541 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.009 -10.787 -0.953 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.631 -10.022 0.609 1.00 0.48 H new ATOM 1366 N ALA A 85 0.712 -10.610 1.740 1.00 0.30 N ATOM 1367 CA ALA A 85 0.043 -10.789 3.023 1.00 0.38 C ATOM 1368 C ALA A 85 -1.258 -11.582 2.881 1.00 0.44 C ATOM 1369 O ALA A 85 -1.398 -12.659 3.457 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.226 -9.437 3.667 1.00 0.43 C ATOM 0 H ALA A 85 0.588 -9.686 1.327 1.00 0.30 H new ATOM 0 HA ALA A 85 0.708 -11.366 3.666 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.726 -9.583 4.625 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.718 -8.916 3.826 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.863 -8.842 3.012 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.203 -11.061 2.103 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.517 -11.696 1.978 1.00 0.59 C ATOM 1378 C HIS A 86 -3.454 -12.870 0.998 1.00 0.63 C ATOM 1379 O HIS A 86 -4.061 -13.915 1.203 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.571 -10.662 1.536 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.657 -10.414 0.056 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -3.888 -9.474 -0.600 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -5.439 -10.985 -0.893 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -4.195 -9.479 -1.886 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -5.131 -10.386 -2.089 1.00 2.68 N ATOM 0 H HIS A 86 -2.088 -10.209 1.554 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.811 -12.086 2.952 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.548 -10.993 1.888 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.356 -9.716 2.033 1.00 0.69 H new ATOM 0 HD1 HIS A 86 -3.192 -8.870 -0.162 1.00 2.06 H new ATOM 0 HD2 HIS A 86 -6.169 -11.766 -0.737 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -3.754 -8.847 -2.643 1.00 2.66 H new ATOM 1394 N TYR A 87 -2.692 -12.666 -0.058 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.484 -13.646 -1.115 1.00 0.65 C ATOM 1396 C TYR A 87 -1.279 -14.519 -0.768 1.00 0.62 C ATOM 1397 O TYR A 87 -0.577 -14.986 -1.656 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.311 -12.952 -2.476 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.398 -13.881 -3.668 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.593 -14.501 -4.001 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.285 -14.133 -4.462 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.679 -15.348 -5.087 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.363 -14.978 -5.551 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.563 -15.583 -5.859 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.646 -16.435 -6.937 1.00 1.52 O ATOM 0 H TYR A 87 -2.186 -11.794 -0.212 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.362 -14.287 -1.193 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.074 -12.180 -2.576 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.344 -12.449 -2.493 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.471 -14.318 -3.400 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.344 -13.660 -4.223 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.617 -15.824 -5.330 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.489 -15.164 -6.158 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.772 -16.492 -7.377 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.980 -14.582 0.539 1.00 0.59 N ATOM 1416 CA HIS A 88 0.160 -15.330 1.132 1.00 0.62 C ATOM 1417 C HIS A 88 0.349 -16.781 0.630 1.00 0.69 C ATOM 1418 O HIS A 88 1.013 -17.580 1.286 1.00 0.75 O ATOM 1419 CB HIS A 88 0.032 -15.353 2.662 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.184 -16.076 3.170 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -1.150 -17.369 3.645 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -2.471 -15.674 3.282 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -2.360 -17.730 4.021 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -3.180 -16.718 3.813 1.00 3.26 N ATOM 0 H HIS A 88 -1.539 -14.100 1.243 1.00 0.59 H new ATOM 0 HA HIS A 88 1.043 -14.784 0.801 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.921 -15.822 3.082 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.010 -14.327 3.029 1.00 0.65 H new ATOM 0 HD2 HIS A 88 -2.866 -14.708 3.004 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -2.634 -18.691 4.430 1.00 3.25 H new ATOM 0 HE2 HIS A 88 -4.180 -16.714 4.015 1.00 3.26 H new ATOM 1433 N THR A 89 -0.212 -17.113 -0.512 1.00 0.73 N ATOM 1434 CA THR A 89 -0.004 -18.401 -1.141 1.00 0.81 C ATOM 1435 C THR A 89 1.257 -18.333 -2.000 1.00 0.72 C ATOM 1436 O THR A 89 1.500 -19.195 -2.845 1.00 1.05 O ATOM 1437 CB THR A 89 -1.221 -18.772 -2.012 1.00 0.97 C ATOM 1438 OG1 THR A 89 -1.087 -20.096 -2.543 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.400 -17.779 -3.154 1.00 0.89 C ATOM 0 H THR A 89 -0.830 -16.493 -1.035 1.00 0.73 H new ATOM 0 HA THR A 89 0.115 -19.167 -0.375 1.00 0.81 H new ATOM 0 HB THR A 89 -2.103 -18.735 -1.372 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.173 -20.225 -2.873 1.00 1.26 H new ATOM 0 HG21 THR A 89 -2.265 -18.065 -3.752 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.554 -16.780 -2.747 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.509 -17.781 -3.781 1.00 0.89 H new ATOM 1447 N HIS A 90 2.040 -17.277 -1.744 1.00 0.65 N ATOM 1448 CA HIS A 90 3.259 -16.947 -2.476 1.00 0.64 C ATOM 1449 C HIS A 90 2.917 -16.102 -3.680 1.00 0.93 C ATOM 1450 O HIS A 90 2.691 -16.611 -4.774 1.00 1.77 O ATOM 1451 CB HIS A 90 4.083 -18.169 -2.901 1.00 0.91 C ATOM 1452 CG HIS A 90 4.777 -18.865 -1.769 1.00 1.72 C ATOM 1453 ND1 HIS A 90 6.124 -19.159 -1.779 1.00 2.44 N ATOM 1454 CD2 HIS A 90 4.301 -19.340 -0.593 1.00 2.68 C ATOM 1455 CE1 HIS A 90 6.444 -19.785 -0.662 1.00 3.33 C ATOM 1456 NE2 HIS A 90 5.358 -19.905 0.073 1.00 3.47 N ATOM 0 H HIS A 90 1.832 -16.612 -0.999 1.00 0.65 H new ATOM 0 HA HIS A 90 3.891 -16.389 -1.785 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.426 -18.880 -3.402 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.829 -17.855 -3.631 1.00 0.91 H new ATOM 0 HD2 HIS A 90 3.280 -19.284 -0.245 1.00 2.68 H new ATOM 0 HE1 HIS A 90 7.429 -20.139 -0.396 1.00 3.33 H new ATOM 0 HE2 HIS A 90 5.311 -20.347 0.991 1.00 3.47 H new ATOM 1578 N GLU B 5 4.421 -7.382 10.197 1.00 1.20 N ATOM 1579 CA GLU B 5 3.191 -7.440 9.424 1.00 0.94 C ATOM 1580 C GLU B 5 2.149 -6.475 9.968 1.00 0.69 C ATOM 1581 O GLU B 5 1.061 -6.367 9.416 1.00 0.69 O ATOM 1582 CB GLU B 5 2.616 -8.855 9.421 1.00 1.39 C ATOM 1583 CG GLU B 5 3.604 -9.923 8.992 1.00 1.80 C ATOM 1584 CD GLU B 5 2.914 -11.197 8.555 1.00 2.48 C ATOM 1585 OE1 GLU B 5 2.613 -12.045 9.423 1.00 3.10 O ATOM 1586 OE2 GLU B 5 2.653 -11.350 7.342 1.00 3.00 O ATOM 0 HA GLU B 5 3.439 -7.150 8.403 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.254 -9.091 10.422 1.00 1.39 H new ATOM 0 HB3 GLU B 5 1.754 -8.884 8.755 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.214 -9.543 8.173 1.00 1.80 H new ATOM 0 HG3 GLU B 5 4.280 -10.143 9.818 1.00 1.80 H new ATOM 1593 N GLU B 6 2.488 -5.769 11.040 1.00 0.68 N ATOM 1594 CA GLU B 6 1.553 -4.858 11.696 1.00 0.67 C ATOM 1595 C GLU B 6 0.888 -3.938 10.670 1.00 0.54 C ATOM 1596 O GLU B 6 -0.331 -3.794 10.640 1.00 0.60 O ATOM 1597 CB GLU B 6 2.290 -4.030 12.754 1.00 0.78 C ATOM 1598 CG GLU B 6 1.400 -3.475 13.863 1.00 1.06 C ATOM 1599 CD GLU B 6 0.342 -2.516 13.362 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.696 -1.563 12.635 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -0.845 -2.701 13.701 1.00 2.51 O ATOM 0 H GLU B 6 3.409 -5.809 11.477 1.00 0.68 H new ATOM 0 HA GLU B 6 0.775 -5.446 12.183 1.00 0.67 H new ATOM 0 HB2 GLU B 6 3.066 -4.649 13.205 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.793 -3.199 12.260 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.914 -4.304 14.378 1.00 1.06 H new ATOM 0 HG3 GLU B 6 2.023 -2.965 14.598 1.00 1.06 H new ATOM 1608 N HIS B 7 1.691 -3.347 9.800 1.00 0.42 N ATOM 1609 CA HIS B 7 1.176 -2.389 8.839 1.00 0.38 C ATOM 1610 C HIS B 7 0.580 -3.080 7.612 1.00 0.35 C ATOM 1611 O HIS B 7 -0.528 -2.749 7.205 1.00 0.39 O ATOM 1612 CB HIS B 7 2.263 -1.394 8.431 1.00 0.43 C ATOM 1613 CG HIS B 7 2.511 -0.307 9.441 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.003 -0.322 10.727 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.210 0.849 9.337 1.00 1.60 C ATOM 1616 CE1 HIS B 7 2.378 0.773 11.359 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.110 1.498 10.543 1.00 2.03 N ATOM 0 H HIS B 7 2.696 -3.513 9.740 1.00 0.42 H new ATOM 0 HA HIS B 7 0.370 -1.839 9.325 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.193 -1.937 8.262 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.984 -0.936 7.482 1.00 0.43 H new ATOM 0 HD1 HIS B 7 1.428 -1.064 11.125 1.00 1.73 H new ATOM 0 HD2 HIS B 7 3.747 1.196 8.466 1.00 1.60 H new ATOM 0 HE1 HIS B 7 2.126 1.031 12.377 1.00 2.16 H new ATOM 1626 N LEU B 8 1.303 -4.039 7.029 1.00 0.34 N ATOM 1627 CA LEU B 8 0.806 -4.766 5.856 1.00 0.33 C ATOM 1628 C LEU B 8 -0.445 -5.558 6.187 1.00 0.34 C ATOM 1629 O LEU B 8 -1.518 -5.322 5.630 1.00 0.34 O ATOM 1630 CB LEU B 8 1.865 -5.729 5.349 1.00 0.33 C ATOM 1631 CG LEU B 8 3.207 -5.086 5.019 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.164 -6.120 4.474 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.031 -3.941 4.030 1.00 0.33 C ATOM 0 H LEU B 8 2.228 -4.330 7.346 1.00 0.34 H new ATOM 0 HA LEU B 8 0.569 -4.027 5.091 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.023 -6.502 6.101 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.487 -6.226 4.456 1.00 0.33 H new ATOM 0 HG LEU B 8 3.627 -4.676 5.937 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.118 -5.647 4.243 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.318 -6.902 5.218 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.748 -6.559 3.567 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.002 -3.498 3.810 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.588 -4.320 3.109 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.376 -3.184 4.462 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.302 -6.486 7.116 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.403 -7.330 7.527 1.00 0.40 C ATOM 1647 C GLU B 9 -2.465 -6.484 8.207 1.00 0.40 C ATOM 1648 O GLU B 9 -3.642 -6.814 8.176 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.902 -8.431 8.462 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.986 -9.371 8.946 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.462 -10.395 9.928 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.268 -10.046 11.114 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -1.240 -11.555 9.522 1.00 2.16 O ATOM 0 H GLU B 9 0.575 -6.673 7.602 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.843 -7.805 6.650 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.137 -9.011 7.946 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.424 -7.970 9.326 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.781 -8.793 9.417 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -2.428 -9.883 8.091 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.033 -5.384 8.811 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.965 -4.440 9.382 1.00 0.43 C ATOM 1662 C GLY B 10 -3.846 -3.798 8.333 1.00 0.39 C ATOM 1663 O GLY B 10 -5.050 -3.684 8.521 1.00 0.44 O ATOM 0 H GLY B 10 -1.050 -5.131 8.914 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.590 -4.948 10.116 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.414 -3.665 9.914 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.244 -3.370 7.229 1.00 0.34 N ATOM 1668 CA ILE B 11 -3.998 -2.801 6.118 1.00 0.33 C ATOM 1669 C ILE B 11 -4.942 -3.848 5.536 1.00 0.33 C ATOM 1670 O ILE B 11 -6.122 -3.579 5.302 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.055 -2.256 5.013 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.403 -0.941 5.454 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -3.801 -2.056 3.707 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.382 0.208 5.592 1.00 1.16 C ATOM 0 H ILE B 11 -2.236 -3.406 7.079 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.582 -1.964 6.501 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.272 -2.997 4.851 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -1.902 -1.097 6.409 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.634 -0.667 4.732 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.115 -1.673 2.951 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.213 -3.008 3.374 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.611 -1.342 3.856 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -2.848 1.105 5.907 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -3.865 0.391 4.632 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.137 -0.045 6.336 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.416 -5.050 5.337 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.209 -6.170 4.844 1.00 0.38 C ATOM 1688 C VAL B 12 -6.382 -6.468 5.786 1.00 0.40 C ATOM 1689 O VAL B 12 -7.517 -6.672 5.346 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.318 -7.420 4.665 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.151 -8.677 4.471 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.387 -7.220 3.482 1.00 0.48 C ATOM 0 H VAL B 12 -3.437 -5.275 5.511 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.622 -5.897 3.873 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.730 -7.551 5.574 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.491 -9.536 4.348 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.787 -8.830 5.343 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.773 -8.568 3.583 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.760 -8.103 3.359 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.976 -7.064 2.578 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.756 -6.349 3.659 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.101 -6.460 7.081 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.116 -6.684 8.105 1.00 0.49 C ATOM 1704 C ASN B 13 -8.132 -5.546 8.123 1.00 0.48 C ATOM 1705 O ASN B 13 -9.320 -5.770 8.333 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.454 -6.828 9.481 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.455 -6.972 10.610 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.913 -8.073 10.915 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.784 -5.864 11.254 1.00 1.42 N ATOM 0 H ASN B 13 -5.165 -6.298 7.453 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.645 -7.607 7.868 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.797 -7.698 9.472 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.826 -5.957 9.669 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.440 -5.903 12.034 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.382 -4.971 10.970 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.657 -4.329 7.894 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.525 -3.160 7.858 1.00 0.57 C ATOM 1718 C ILE B 14 -9.496 -3.244 6.680 1.00 0.53 C ATOM 1719 O ILE B 14 -10.680 -2.930 6.824 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.699 -1.843 7.827 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.630 -1.220 9.227 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.267 -0.833 6.838 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.022 -2.118 10.283 1.00 2.06 C ATOM 0 H ILE B 14 -6.671 -4.125 7.730 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.114 -3.147 8.775 1.00 0.57 H new ATOM 0 HB ILE B 14 -6.694 -2.103 7.495 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.050 -0.299 9.173 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.637 -0.944 9.538 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.658 0.071 6.851 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.260 -1.261 5.836 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.290 -0.585 7.119 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.013 -1.598 11.241 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -7.614 -3.029 10.370 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.001 -2.374 9.999 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.012 -3.700 5.526 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.889 -3.919 4.380 1.00 0.59 C ATOM 1737 C PHE B 15 -10.904 -4.999 4.706 1.00 0.61 C ATOM 1738 O PHE B 15 -12.089 -4.864 4.422 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.092 -4.318 3.136 1.00 0.69 C ATOM 1740 CG PHE B 15 -8.240 -3.215 2.583 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -8.707 -1.913 2.553 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -6.977 -3.483 2.089 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -7.931 -0.895 2.042 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -6.197 -2.468 1.573 1.00 2.54 C ATOM 1745 CZ PHE B 15 -6.674 -1.172 1.552 1.00 2.58 C ATOM 0 H PHE B 15 -8.030 -3.922 5.361 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.405 -2.983 4.167 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.455 -5.168 3.381 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.785 -4.651 2.363 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.693 -1.691 2.935 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -6.598 -4.494 2.107 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -8.308 0.117 2.026 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -5.213 -2.687 1.185 1.00 2.54 H new ATOM 0 HZ PHE B 15 -6.062 -0.377 1.152 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.424 -6.056 5.337 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.267 -7.174 5.736 1.00 0.72 C ATOM 1757 C HIS B 16 -12.286 -6.737 6.793 1.00 0.75 C ATOM 1758 O HIS B 16 -13.318 -7.376 6.979 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.386 -8.300 6.282 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.111 -9.584 6.523 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.620 -9.943 7.748 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.391 -10.609 5.688 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.179 -11.131 7.658 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.053 -11.562 6.417 1.00 2.23 N ATOM 0 H HIS B 16 -9.441 -6.165 5.588 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.818 -7.531 4.866 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.572 -8.482 5.580 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.933 -7.971 7.217 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.139 -10.666 4.639 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.660 -11.664 8.465 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.392 -12.455 6.060 1.00 2.23 H new ATOM 1773 N GLN B 17 -11.979 -5.643 7.478 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.820 -5.135 8.553 1.00 0.82 C ATOM 1775 C GLN B 17 -13.981 -4.303 8.011 1.00 0.93 C ATOM 1776 O GLN B 17 -15.107 -4.408 8.499 1.00 1.18 O ATOM 1777 CB GLN B 17 -11.975 -4.287 9.510 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.763 -3.661 10.650 1.00 1.27 C ATOM 1779 CD GLN B 17 -11.906 -2.775 11.536 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -10.891 -2.153 10.953 1.00 2.60 O flip ATOM 1781 NE2 GLN B 17 -12.153 -2.646 12.734 1.00 2.77 N flip ATOM 0 H GLN B 17 -11.143 -5.085 7.305 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.240 -5.988 9.086 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.185 -4.910 9.929 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.488 -3.494 8.942 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.583 -3.073 10.239 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.209 -4.451 11.255 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -12.943 -3.141 13.148 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -11.568 -2.044 13.313 1.00 2.77 H new ATOM 1955 N LEU B 28 -18.400 -6.444 -2.724 1.00 1.15 N ATOM 1956 CA LEU B 28 -17.258 -5.585 -2.429 1.00 0.90 C ATOM 1957 C LEU B 28 -17.217 -4.430 -3.425 1.00 0.71 C ATOM 1958 O LEU B 28 -16.335 -4.352 -4.282 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.938 -6.372 -2.483 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.738 -7.434 -1.392 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -16.605 -8.659 -1.645 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.272 -7.830 -1.306 1.00 2.37 C ATOM 0 HA LEU B 28 -17.375 -5.195 -1.418 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.870 -6.862 -3.455 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -15.113 -5.662 -2.426 1.00 1.66 H new ATOM 0 HG LEU B 28 -16.044 -7.000 -0.440 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -16.440 -9.391 -0.855 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -17.655 -8.366 -1.654 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -16.342 -9.098 -2.607 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.144 -8.583 -0.529 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.948 -8.238 -2.264 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -13.672 -6.953 -1.064 1.00 2.37 H new ATOM 1974 N SER B 29 -18.197 -3.554 -3.319 1.00 0.61 N ATOM 1975 CA SER B 29 -18.337 -2.445 -4.238 1.00 0.48 C ATOM 1976 C SER B 29 -17.864 -1.142 -3.601 1.00 0.44 C ATOM 1977 O SER B 29 -17.271 -1.158 -2.518 1.00 0.53 O ATOM 1978 CB SER B 29 -19.791 -2.337 -4.694 1.00 0.55 C ATOM 1979 OG SER B 29 -20.673 -2.305 -3.585 1.00 1.35 O ATOM 0 H SER B 29 -18.915 -3.592 -2.596 1.00 0.61 H new ATOM 0 HA SER B 29 -17.708 -2.628 -5.109 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.922 -1.435 -5.292 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.038 -3.183 -5.335 1.00 0.55 H new ATOM 0 HG SER B 29 -21.597 -2.234 -3.904 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.111 -0.023 -4.277 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.656 1.284 -3.812 1.00 0.36 C ATOM 1987 C LYS B 30 -18.104 1.566 -2.382 1.00 0.36 C ATOM 1988 O LYS B 30 -17.417 2.267 -1.654 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.179 2.376 -4.738 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.332 3.639 -4.747 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.952 4.722 -5.617 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.457 4.187 -6.958 1.00 0.52 C ATOM 1993 NZ LYS B 30 -17.363 3.711 -7.851 1.00 1.32 N ATOM 0 H LYS B 30 -18.628 0.004 -5.156 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.566 1.277 -3.826 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.235 1.981 -5.753 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.195 2.635 -4.440 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.220 4.010 -3.728 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.332 3.405 -5.113 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.781 5.183 -5.080 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.214 5.504 -5.797 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -19.151 3.367 -6.776 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.017 4.972 -7.467 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -17.765 3.123 -8.609 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -16.875 4.529 -8.269 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -16.685 3.148 -7.299 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.245 1.010 -1.987 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.763 1.225 -0.645 1.00 0.40 C ATOM 2009 C GLY B 31 -18.787 0.824 0.443 1.00 0.38 C ATOM 2010 O GLY B 31 -18.648 1.520 1.451 1.00 0.39 O ATOM 0 H GLY B 31 -19.824 0.411 -2.575 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.018 2.278 -0.525 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.686 0.658 -0.523 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.109 -0.298 0.241 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.175 -0.820 1.229 1.00 0.50 C ATOM 2016 C GLU B 32 -15.960 0.088 1.333 1.00 0.42 C ATOM 2017 O GLU B 32 -15.501 0.418 2.430 1.00 0.44 O ATOM 2018 CB GLU B 32 -16.741 -2.232 0.847 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.906 -3.173 0.585 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.830 -3.319 1.777 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.768 -2.503 1.910 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -18.644 -4.259 2.575 1.00 2.10 O ATOM 0 H GLU B 32 -18.189 -0.866 -0.602 1.00 0.44 H new ATOM 0 HA GLU B 32 -17.673 -0.854 2.198 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.116 -2.183 -0.045 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.124 -2.643 1.646 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.477 -2.806 -0.268 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.519 -4.154 0.311 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.461 0.497 0.175 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.328 1.397 0.094 1.00 0.34 C ATOM 2031 C LEU B 33 -14.691 2.736 0.714 1.00 0.30 C ATOM 2032 O LEU B 33 -13.983 3.240 1.571 1.00 0.32 O ATOM 2033 CB LEU B 33 -13.928 1.590 -1.365 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.648 2.394 -1.585 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.438 1.613 -1.109 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.491 2.782 -3.042 1.00 0.46 C ATOM 0 H LEU B 33 -15.832 0.213 -0.731 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.488 0.968 0.640 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -13.806 0.609 -1.825 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.745 2.088 -1.887 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.722 3.310 -0.998 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.536 2.203 -1.274 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.540 1.396 -0.046 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.367 0.678 -1.665 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.572 3.353 -3.169 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.447 1.882 -3.655 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.342 3.390 -3.350 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.821 3.273 0.280 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.327 4.555 0.748 1.00 0.31 C ATOM 2050 C LYS B 34 -16.420 4.600 2.269 1.00 0.35 C ATOM 2051 O LYS B 34 -15.975 5.566 2.894 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.699 4.814 0.120 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.535 5.849 0.856 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.891 6.035 0.201 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.868 6.727 1.136 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.370 8.046 1.603 1.00 1.87 N ATOM 0 H LYS B 34 -16.419 2.826 -0.415 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.630 5.335 0.444 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.559 5.142 -0.910 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.252 3.876 0.083 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.670 5.540 1.892 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.005 6.801 0.874 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.779 6.622 -0.710 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.291 5.065 -0.092 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -21.821 6.862 0.625 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -21.056 6.087 1.998 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.124 8.536 2.126 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -19.550 7.906 2.227 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -20.087 8.620 0.783 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.003 3.559 2.856 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.103 3.458 4.301 1.00 0.43 C ATOM 2072 C GLN B 35 -15.727 3.591 4.935 1.00 0.43 C ATOM 2073 O GLN B 35 -15.487 4.509 5.715 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.734 2.127 4.694 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.912 1.986 6.188 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.584 0.690 6.596 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -18.367 -0.370 5.833 1.00 2.45 O flip ATOM 2078 NE2 GLN B 35 -19.285 0.641 7.602 1.00 2.06 N flip ATOM 0 H GLN B 35 -17.413 2.774 2.349 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.736 4.268 4.664 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.704 2.031 4.206 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.110 1.311 4.328 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.936 2.048 6.670 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.503 2.824 6.556 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.429 1.479 8.165 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.724 -0.238 7.875 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.826 2.690 4.563 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.465 2.691 5.077 1.00 0.39 C ATOM 2089 C LEU B 36 -12.827 4.060 4.901 1.00 0.38 C ATOM 2090 O LEU B 36 -12.328 4.647 5.840 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.657 1.616 4.341 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.211 1.421 4.801 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.775 0.001 4.512 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.274 2.395 4.102 1.00 0.40 C ATOM 0 H LEU B 36 -15.019 1.941 3.898 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.478 2.468 6.144 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.180 0.665 4.444 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.648 1.862 3.279 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.165 1.613 5.873 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.745 -0.137 4.840 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.422 -0.694 5.047 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.843 -0.190 3.441 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.254 2.232 4.450 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.320 2.235 3.025 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.576 3.417 4.330 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.887 4.570 3.694 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.228 5.813 3.340 1.00 0.35 C ATOM 2108 C LEU B 37 -12.692 6.991 4.186 1.00 0.41 C ATOM 2109 O LEU B 37 -11.873 7.693 4.780 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.483 6.100 1.874 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.851 5.099 0.915 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.109 5.497 -0.527 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.364 4.971 1.193 1.00 0.32 C ATOM 0 H LEU B 37 -13.395 4.136 2.924 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.162 5.691 3.533 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.559 6.119 1.702 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.106 7.096 1.641 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.312 4.124 1.075 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.649 4.768 -1.194 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.183 5.528 -0.709 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.681 6.482 -0.715 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.925 4.253 0.501 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.885 5.941 1.062 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.213 4.627 2.216 1.00 0.32 H new ATOM 2125 N THR B 38 -13.997 7.193 4.247 1.00 0.45 N ATOM 2126 CA THR B 38 -14.558 8.364 4.894 1.00 0.53 C ATOM 2127 C THR B 38 -14.231 8.405 6.381 1.00 0.59 C ATOM 2128 O THR B 38 -13.957 9.470 6.931 1.00 0.67 O ATOM 2129 CB THR B 38 -16.088 8.426 4.705 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.680 7.157 5.016 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.442 8.816 3.281 1.00 1.03 C ATOM 0 H THR B 38 -14.690 6.557 3.854 1.00 0.45 H new ATOM 0 HA THR B 38 -14.101 9.231 4.416 1.00 0.53 H new ATOM 0 HB THR B 38 -16.480 9.183 5.384 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.574 6.551 4.253 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.526 8.853 3.173 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.021 9.796 3.057 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.033 8.079 2.590 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.258 7.250 7.030 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.071 7.203 8.467 1.00 0.67 C ATOM 2141 C LYS B 39 -12.629 6.888 8.877 1.00 0.65 C ATOM 2142 O LYS B 39 -12.159 7.370 9.908 1.00 0.72 O ATOM 2143 CB LYS B 39 -15.037 6.197 9.086 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.877 4.779 8.566 1.00 0.68 C ATOM 2145 CD LYS B 39 -16.160 3.968 8.723 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.603 3.885 10.176 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.860 3.107 10.338 1.00 1.62 N ATOM 0 H LYS B 39 -14.406 6.343 6.587 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.286 8.201 8.848 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.897 6.194 10.167 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.058 6.528 8.898 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.592 4.808 7.514 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -14.067 4.285 9.102 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.952 4.422 8.127 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -16.004 2.962 8.333 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.813 3.423 10.769 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.748 4.892 10.568 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -18.123 3.077 11.344 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.622 3.561 9.794 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.716 2.138 9.989 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.922 6.104 8.073 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.644 5.554 8.478 1.00 0.58 C ATOM 2163 C GLU B 40 -9.480 6.388 7.940 1.00 0.56 C ATOM 2164 O GLU B 40 -8.512 6.640 8.649 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.573 4.104 7.991 1.00 0.58 C ATOM 2166 CG GLU B 40 -9.270 3.392 8.255 1.00 0.88 C ATOM 2167 CD GLU B 40 -9.042 3.086 9.727 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.768 2.234 10.284 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -8.146 3.697 10.337 1.00 1.67 O ATOM 0 H GLU B 40 -12.217 5.837 7.134 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.559 5.579 9.564 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -11.377 3.541 8.465 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -10.763 4.090 6.918 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -9.252 2.460 7.690 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -8.447 4.005 7.886 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.590 6.858 6.703 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.499 7.611 6.089 1.00 0.49 C ATOM 2178 C LEU B 41 -8.920 9.063 5.910 1.00 0.53 C ATOM 2179 O LEU B 41 -8.435 9.766 5.019 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.101 6.994 4.740 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.846 5.482 4.764 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.399 4.994 3.396 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.815 5.121 5.825 1.00 1.42 C ATOM 0 H LEU B 41 -10.411 6.734 6.111 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.629 7.569 6.744 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.889 7.202 4.017 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.200 7.493 4.382 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.782 4.985 5.019 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.223 3.919 3.433 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.175 5.210 2.661 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.478 5.503 3.111 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.652 4.043 5.822 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.876 5.631 5.608 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.178 5.430 6.805 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.818 9.496 6.792 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.411 10.831 6.742 1.00 0.64 C ATOM 2197 C ALA B 42 -9.369 11.949 6.728 1.00 0.71 C ATOM 2198 O ALA B 42 -9.623 13.030 6.199 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.348 11.021 7.923 1.00 0.71 C ATOM 0 H ALA B 42 -10.157 8.926 7.567 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.962 10.897 5.804 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.788 12.017 7.882 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.140 10.273 7.883 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.789 10.909 8.852 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.200 11.692 7.292 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.214 12.746 7.479 1.00 0.83 C ATOM 2207 C ASN B 43 -5.990 12.566 6.593 1.00 0.83 C ATOM 2208 O ASN B 43 -4.956 13.182 6.840 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.786 12.806 8.945 1.00 1.00 C ATOM 2210 CG ASN B 43 -7.863 13.385 9.843 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -7.941 14.600 10.032 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -8.696 12.523 10.408 1.00 2.16 N ATOM 0 H ASN B 43 -7.912 10.772 7.626 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.689 13.683 7.189 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -6.533 11.803 9.287 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -5.882 13.409 9.032 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -9.436 12.858 11.025 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -8.598 11.524 10.226 1.00 2.16 H new ATOM 2219 N THR B 44 -6.100 11.750 5.556 1.00 0.65 N ATOM 2220 CA THR B 44 -4.966 11.518 4.670 1.00 0.61 C ATOM 2221 C THR B 44 -5.286 11.955 3.254 1.00 0.59 C ATOM 2222 O THR B 44 -4.729 12.923 2.739 1.00 0.66 O ATOM 2223 CB THR B 44 -4.569 10.032 4.645 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.379 9.561 5.980 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.286 9.828 3.851 1.00 0.52 C ATOM 0 H THR B 44 -6.950 11.243 5.308 1.00 0.65 H new ATOM 0 HA THR B 44 -4.136 12.107 5.059 1.00 0.61 H new ATOM 0 HB THR B 44 -5.371 9.471 4.165 1.00 0.55 H new ATOM 0 HG1 THR B 44 -3.475 9.195 6.072 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.025 8.770 3.847 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.434 10.169 2.826 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.479 10.399 4.310 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.205 11.235 2.643 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.553 11.449 1.258 1.00 0.51 C ATOM 2235 C ILE B 45 -7.372 12.730 1.104 1.00 0.59 C ATOM 2236 O ILE B 45 -8.279 12.989 1.902 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.350 10.245 0.732 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.597 8.935 1.010 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.628 10.404 -0.758 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.279 7.710 0.439 1.00 0.35 C ATOM 0 H ILE B 45 -6.730 10.486 3.095 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.637 11.554 0.677 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.304 10.204 1.257 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.592 9.008 0.594 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.488 8.810 2.087 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.193 9.544 -1.117 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.206 11.313 -0.925 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.684 10.469 -1.299 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.691 6.823 0.674 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.274 7.611 0.874 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.364 7.812 -0.643 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.028 13.539 0.096 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.706 14.809 -0.134 1.00 0.74 C ATOM 2254 C LYS B 46 -9.202 14.600 -0.294 1.00 0.68 C ATOM 2255 O LYS B 46 -9.632 13.770 -1.099 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.132 15.526 -1.375 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.588 14.973 -2.727 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.841 15.685 -3.229 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.207 15.263 -4.643 1.00 0.88 C ATOM 2260 NZ LYS B 46 -9.355 13.790 -4.771 1.00 1.61 N ATOM 0 H LYS B 46 -6.284 13.333 -0.570 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.534 15.440 0.738 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.405 16.580 -1.323 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.044 15.476 -1.330 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.786 15.087 -3.457 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.787 13.905 -2.636 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.674 15.469 -2.559 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.681 16.763 -3.202 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -10.140 15.746 -4.934 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.439 15.610 -5.334 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.196 13.574 -5.344 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.511 13.395 -5.233 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -9.462 13.368 -3.826 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.980 15.337 0.498 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.437 15.314 0.404 1.00 0.67 C ATOM 2276 C ASN B 47 -11.970 13.897 0.311 1.00 0.59 C ATOM 2277 O ASN B 47 -12.897 13.626 -0.443 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.912 16.105 -0.811 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.889 17.600 -0.593 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.860 18.254 -0.770 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.035 18.156 -0.243 1.00 1.24 N ATOM 0 H ASN B 47 -9.620 15.963 1.218 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.822 15.773 1.315 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.282 15.859 -1.666 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.926 15.797 -1.064 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.092 19.166 -0.109 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.863 17.576 -0.107 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.380 12.996 1.083 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.770 11.590 1.074 1.00 0.48 C ATOM 2290 C ILE B 48 -13.229 11.426 1.500 1.00 0.48 C ATOM 2291 O ILE B 48 -13.818 10.349 1.405 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.852 10.778 2.007 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.059 9.280 1.809 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.091 11.159 3.456 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.810 8.826 0.390 1.00 0.38 C ATOM 0 H ILE B 48 -10.622 13.215 1.730 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.666 11.214 0.056 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.819 11.015 1.752 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.393 8.736 2.479 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.079 9.020 2.093 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.433 10.575 4.099 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.883 12.220 3.592 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.129 10.956 3.719 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -10.975 7.751 0.318 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.494 9.344 -0.283 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.782 9.055 0.110 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.797 12.521 1.958 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.173 12.564 2.391 1.00 0.57 C ATOM 2309 C LYS B 49 -16.094 12.734 1.193 1.00 0.55 C ATOM 2310 O LYS B 49 -17.294 12.473 1.273 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.346 13.726 3.354 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.280 13.748 4.439 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.225 12.442 5.226 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.064 12.487 6.496 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.505 12.740 6.223 1.00 1.11 N ATOM 0 H LYS B 49 -13.310 13.414 2.040 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.431 11.631 2.891 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.313 14.663 2.798 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.331 13.666 3.818 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.307 13.937 3.985 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.478 14.573 5.123 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.574 11.626 4.593 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.190 12.223 5.487 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -14.960 11.542 7.029 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.680 13.268 7.153 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.062 12.528 7.075 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.639 13.737 5.961 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.822 12.131 5.442 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.516 13.159 0.079 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.278 13.420 -1.130 1.00 0.56 C ATOM 2331 C ASP B 50 -16.462 12.157 -1.935 1.00 0.50 C ATOM 2332 O ASP B 50 -15.508 11.441 -2.227 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.599 14.487 -1.988 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.885 15.894 -1.506 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.124 16.412 -0.664 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -16.879 16.494 -1.968 1.00 1.56 O ATOM 0 H ASP B 50 -14.515 13.331 -0.011 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.258 13.788 -0.826 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.522 14.318 -1.985 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.935 14.386 -3.020 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.710 11.902 -2.291 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.074 10.744 -3.085 1.00 0.48 C ATOM 2343 C LYS B 51 -17.409 10.828 -4.449 1.00 0.49 C ATOM 2344 O LYS B 51 -17.094 9.815 -5.059 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.584 10.705 -3.262 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.204 9.315 -3.193 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.589 8.356 -4.198 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.476 7.144 -4.430 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.812 7.522 -4.966 1.00 0.92 N ATOM 0 H LYS B 51 -18.500 12.495 -2.036 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.742 9.840 -2.575 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.041 11.329 -2.494 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.834 11.151 -4.225 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -20.078 8.913 -2.188 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -21.276 9.389 -3.375 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -19.425 8.874 -5.143 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -18.613 8.030 -3.840 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.985 6.464 -5.127 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.602 6.603 -3.492 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.214 6.721 -5.494 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.445 7.770 -4.179 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.713 8.340 -5.601 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.204 12.048 -4.919 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.528 12.273 -6.183 1.00 0.60 C ATOM 2365 C ALA B 52 -15.086 11.834 -6.064 1.00 0.57 C ATOM 2366 O ALA B 52 -14.529 11.209 -6.960 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.598 13.737 -6.564 1.00 0.67 C ATOM 0 H ALA B 52 -17.498 12.900 -4.441 1.00 0.55 H new ATOM 0 HA ALA B 52 -17.021 11.691 -6.962 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.087 13.891 -7.514 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.641 14.038 -6.660 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.117 14.337 -5.792 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.511 12.143 -4.915 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.143 11.764 -4.609 1.00 0.53 C ATOM 2375 C VAL B 53 -13.057 10.256 -4.491 1.00 0.47 C ATOM 2376 O VAL B 53 -12.189 9.614 -5.082 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.674 12.422 -3.294 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.405 11.771 -2.757 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.446 13.907 -3.503 1.00 0.60 C ATOM 0 H VAL B 53 -14.977 12.662 -4.171 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.493 12.108 -5.413 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.462 12.276 -2.555 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.108 12.263 -1.831 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.592 10.715 -2.563 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.606 11.869 -3.492 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.115 14.359 -2.568 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.683 14.054 -4.267 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.376 14.376 -3.824 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.998 9.706 -3.747 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.091 8.274 -3.536 1.00 0.36 C ATOM 2391 C ILE B 54 -14.276 7.525 -4.840 1.00 0.38 C ATOM 2392 O ILE B 54 -13.669 6.481 -5.058 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.260 7.962 -2.614 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.937 8.487 -1.224 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.562 6.467 -2.589 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -16.050 8.288 -0.237 1.00 0.38 C ATOM 0 H ILE B 54 -14.723 10.243 -3.270 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.155 7.948 -3.083 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.158 8.455 -2.986 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -14.041 7.988 -0.855 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.706 9.550 -1.290 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.402 6.277 -1.921 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.814 6.130 -3.594 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.686 5.925 -2.233 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.751 8.685 0.733 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.942 8.810 -0.584 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.266 7.224 -0.142 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.119 8.065 -5.703 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.415 7.430 -6.972 1.00 0.47 C ATOM 2410 C ASP B 55 -14.160 7.396 -7.801 1.00 0.48 C ATOM 2411 O ASP B 55 -13.782 6.365 -8.330 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.493 8.193 -7.730 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.350 7.279 -8.586 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -16.884 6.182 -8.953 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -18.502 7.653 -8.896 1.00 1.53 O ATOM 0 H ASP B 55 -15.611 8.944 -5.546 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.779 6.420 -6.781 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.128 8.723 -7.020 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.025 8.947 -8.363 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.509 8.543 -7.869 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.252 8.691 -8.574 1.00 0.53 C ATOM 2422 C GLU B 56 -11.218 7.682 -8.084 1.00 0.47 C ATOM 2423 O GLU B 56 -10.482 7.095 -8.879 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.742 10.111 -8.374 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.474 11.148 -9.212 1.00 0.69 C ATOM 2426 CD GLU B 56 -12.544 10.774 -10.679 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -11.514 10.872 -11.375 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -13.635 10.389 -11.146 1.00 1.77 O ATOM 0 H GLU B 56 -13.841 9.403 -7.433 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.416 8.500 -9.634 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.836 10.376 -7.321 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.680 10.144 -8.618 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.485 11.273 -8.825 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.972 12.110 -9.111 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.175 7.471 -6.775 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.251 6.521 -6.188 1.00 0.39 C ATOM 2437 C ILE B 57 -10.654 5.098 -6.537 1.00 0.36 C ATOM 2438 O ILE B 57 -9.835 4.309 -7.007 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.220 6.679 -4.666 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.693 8.063 -4.296 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.371 5.594 -4.037 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.690 8.335 -2.812 1.00 1.00 C ATOM 0 H ILE B 57 -11.773 7.949 -6.101 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.259 6.721 -6.593 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.235 6.579 -4.280 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.678 8.169 -4.678 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.301 8.818 -4.793 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.360 5.722 -2.955 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.788 4.617 -4.283 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.353 5.661 -4.420 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.303 9.337 -2.626 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.707 8.262 -2.427 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.058 7.603 -2.309 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.927 4.787 -6.323 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.447 3.462 -6.611 1.00 0.36 C ATOM 2456 C PHE B 58 -12.193 3.114 -8.064 1.00 0.41 C ATOM 2457 O PHE B 58 -11.780 2.011 -8.375 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.949 3.377 -6.323 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.469 1.968 -6.380 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.845 1.400 -7.583 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -14.556 1.203 -5.230 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.299 0.100 -7.637 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -15.014 -0.095 -5.280 1.00 1.67 C ATOM 2464 CZ PHE B 58 -15.385 -0.650 -6.485 1.00 0.93 C ATOM 0 H PHE B 58 -12.617 5.439 -5.950 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.932 2.752 -5.963 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.150 3.795 -5.337 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.489 3.989 -7.045 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.782 1.982 -8.491 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -14.261 1.629 -4.282 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.588 -0.331 -8.584 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -15.082 -0.678 -4.374 1.00 1.67 H new ATOM 0 HZ PHE B 58 -15.742 -1.669 -6.526 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.433 4.079 -8.937 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.212 3.913 -10.366 1.00 0.52 C ATOM 2476 C GLN B 59 -10.736 3.684 -10.656 1.00 0.52 C ATOM 2477 O GLN B 59 -10.377 3.028 -11.635 1.00 0.57 O ATOM 2478 CB GLN B 59 -12.697 5.152 -11.118 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.202 5.360 -11.063 1.00 0.61 C ATOM 2480 CD GLN B 59 -14.642 6.584 -11.835 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.012 6.977 -12.818 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.724 7.195 -11.395 1.00 1.63 N ATOM 0 H GLN B 59 -12.786 5.000 -8.676 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.775 3.042 -10.702 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.204 6.032 -10.704 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.389 5.075 -12.161 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.703 4.480 -11.466 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.515 5.457 -10.023 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.216 6.836 -10.577 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.070 8.027 -11.873 1.00 1.63 H new ATOM 2491 N GLY B 60 -9.887 4.235 -9.798 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.462 4.023 -9.924 1.00 0.49 C ATOM 2493 C GLY B 60 -8.080 2.595 -9.601 1.00 0.47 C ATOM 2494 O GLY B 60 -7.057 2.096 -10.069 1.00 0.53 O ATOM 0 H GLY B 60 -10.163 4.827 -9.015 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.146 4.264 -10.939 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -7.932 4.702 -9.256 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.906 1.933 -8.798 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.673 0.540 -8.455 1.00 0.44 C ATOM 2500 C LEU B 61 -9.461 -0.346 -9.413 1.00 0.51 C ATOM 2501 O LEU B 61 -8.941 -1.323 -9.960 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.086 0.254 -7.000 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.212 1.484 -6.091 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.845 1.098 -4.766 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.850 2.128 -5.852 1.00 0.35 C ATOM 0 H LEU B 61 -9.740 2.340 -8.375 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.608 0.324 -8.546 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.043 -0.268 -7.009 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.356 -0.426 -6.561 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.852 2.210 -6.592 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.928 1.980 -4.132 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.838 0.684 -4.944 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.224 0.352 -4.270 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.967 2.997 -5.205 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.186 1.408 -5.375 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.423 2.440 -6.805 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.712 0.038 -9.627 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.607 -0.639 -10.555 1.00 0.59 C ATOM 2519 C ASP B 62 -11.330 -0.159 -11.974 1.00 0.70 C ATOM 2520 O ASP B 62 -12.145 0.515 -12.603 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.070 -0.376 -10.164 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.065 -1.091 -11.057 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.948 -2.322 -11.237 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.990 -0.425 -11.569 1.00 1.11 O ATOM 0 H ASP B 62 -11.138 0.836 -9.156 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.431 -1.714 -10.510 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.226 -0.691 -9.132 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.262 0.696 -10.202 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.152 -0.505 -12.464 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.709 -0.082 -13.784 1.00 0.94 C ATOM 2531 C ALA B 63 -10.513 -0.768 -14.876 1.00 1.12 C ATOM 2532 O ALA B 63 -10.593 -0.285 -16.006 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.233 -0.386 -13.954 1.00 1.00 C ATOM 0 H ALA B 63 -9.478 -1.084 -11.963 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.868 0.993 -13.871 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.908 -0.067 -14.944 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.662 0.148 -13.195 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.067 -1.458 -13.846 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.113 -1.893 -14.526 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.879 -2.682 -15.479 1.00 1.28 C ATOM 2541 C ASN B 64 -13.334 -2.231 -15.526 1.00 1.22 C ATOM 2542 O ASN B 64 -14.128 -2.733 -16.328 1.00 1.37 O ATOM 2543 CB ASN B 64 -11.797 -4.166 -15.121 1.00 1.34 C ATOM 2544 CG ASN B 64 -10.400 -4.742 -15.277 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -9.633 -4.219 -16.222 1.00 2.56 O flip ATOM 2546 ND2 ASN B 64 -10.016 -5.662 -14.552 1.00 2.80 N flip ATOM 0 H ASN B 64 -11.085 -2.283 -13.584 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.447 -2.529 -16.468 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.127 -4.304 -14.091 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.486 -4.725 -15.754 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.636 -6.039 -13.835 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -9.079 -6.046 -14.669 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.668 -1.273 -14.657 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.998 -0.668 -14.606 1.00 1.06 C ATOM 2555 C GLN B 65 -16.088 -1.705 -14.346 1.00 1.04 C ATOM 2556 O GLN B 65 -17.168 -1.645 -14.938 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.293 0.098 -15.899 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.447 1.349 -16.075 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.725 2.396 -15.014 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.085 2.422 -13.967 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -15.680 3.271 -15.278 1.00 2.58 N ATOM 0 H GLN B 65 -13.019 -0.895 -13.967 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.002 0.031 -13.770 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.128 -0.564 -16.749 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.346 0.378 -15.913 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.392 1.077 -16.044 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -14.637 1.776 -17.060 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -16.191 3.218 -16.159 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -15.906 3.999 -14.600 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.805 -2.647 -13.455 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.777 -3.673 -13.094 1.00 0.95 C ATOM 2572 C ASP B 66 -17.475 -3.304 -11.796 1.00 0.81 C ATOM 2573 O ASP B 66 -18.424 -3.965 -11.372 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.118 -5.051 -12.950 1.00 1.06 C ATOM 2575 CG ASP B 66 -15.787 -5.694 -14.280 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -16.718 -6.180 -14.962 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -14.597 -5.731 -14.650 1.00 2.14 O ATOM 0 H ASP B 66 -14.911 -2.722 -12.969 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.509 -3.728 -13.900 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.204 -4.950 -12.365 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.784 -5.709 -12.391 1.00 1.06 H new ATOM 2582 N GLU B 67 -16.984 -2.229 -11.184 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.502 -1.713 -9.926 1.00 0.63 C ATOM 2584 C GLU B 67 -17.346 -2.757 -8.816 1.00 0.58 C ATOM 2585 O GLU B 67 -18.272 -3.026 -8.045 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.956 -1.259 -10.081 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.479 -0.455 -8.902 1.00 0.97 C ATOM 2588 CD GLU B 67 -18.680 0.799 -8.619 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -18.411 1.577 -9.560 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -18.347 1.032 -7.441 1.00 2.00 O ATOM 0 H GLU B 67 -16.204 -1.687 -11.556 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.920 -0.837 -9.640 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.044 -0.658 -10.986 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.588 -2.137 -10.219 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -20.516 -0.179 -9.093 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.476 -1.086 -8.013 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.157 -3.342 -8.747 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.842 -4.337 -7.734 1.00 0.66 C ATOM 2599 C GLN B 68 -14.363 -4.258 -7.361 1.00 0.66 C ATOM 2600 O GLN B 68 -13.491 -4.447 -8.206 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.199 -5.744 -8.231 1.00 0.86 C ATOM 2602 CG GLN B 68 -15.522 -6.126 -9.541 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.838 -7.541 -9.982 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.038 -8.006 -9.679 1.00 2.16 O flip ATOM 2605 NE2 GLN B 68 -15.012 -8.208 -10.607 1.00 2.07 N flip ATOM 0 H GLN B 68 -15.389 -3.141 -9.388 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.437 -4.129 -6.845 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.923 -6.470 -7.466 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.279 -5.810 -8.359 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.833 -5.431 -10.320 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -14.443 -6.018 -9.430 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -14.096 -7.814 -10.822 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -15.244 -9.154 -10.910 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.087 -3.965 -6.101 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.721 -3.809 -5.632 1.00 0.64 C ATOM 2616 C VAL B 69 -12.226 -5.059 -4.891 1.00 0.64 C ATOM 2617 O VAL B 69 -12.752 -5.436 -3.841 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.599 -2.554 -4.727 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.575 -2.614 -3.560 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.177 -2.377 -4.225 1.00 1.22 C ATOM 0 H VAL B 69 -14.796 -3.830 -5.381 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.085 -3.676 -6.507 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.856 -1.687 -5.336 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.464 -1.720 -2.946 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.595 -2.668 -3.941 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.366 -3.497 -2.956 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.122 -1.490 -3.594 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.884 -3.253 -3.647 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.503 -2.261 -5.074 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.228 -5.719 -5.468 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.564 -6.845 -4.814 1.00 0.73 C ATOM 2632 C ASP B 70 -9.505 -6.321 -3.849 1.00 0.64 C ATOM 2633 O ASP B 70 -9.209 -5.131 -3.855 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.915 -7.766 -5.862 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.210 -8.969 -5.256 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.884 -9.981 -4.969 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -7.974 -8.905 -5.047 1.00 1.98 O ATOM 0 H ASP B 70 -10.858 -5.494 -6.392 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.304 -7.421 -4.259 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.682 -8.114 -6.553 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.197 -7.190 -6.446 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.928 -7.190 -3.032 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.857 -6.788 -2.127 1.00 0.67 C ATOM 2644 C PHE B 71 -6.666 -6.223 -2.906 1.00 0.56 C ATOM 2645 O PHE B 71 -5.939 -5.370 -2.406 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.414 -7.966 -1.262 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.466 -8.420 -0.288 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.589 -7.809 0.949 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -9.331 -9.454 -0.609 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -9.556 -8.220 1.848 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -10.299 -9.870 0.284 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.412 -9.252 1.515 1.00 1.77 C ATOM 0 H PHE B 71 -9.182 -8.176 -2.976 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.243 -6.004 -1.476 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.144 -8.801 -1.909 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.516 -7.686 -0.711 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -7.922 -7.002 1.214 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -9.247 -9.941 -1.569 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -9.642 -7.735 2.809 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -10.967 -10.677 0.021 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.168 -9.575 2.215 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.472 -6.704 -4.129 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.440 -6.166 -5.011 1.00 0.57 C ATOM 2664 C GLN B 72 -5.780 -4.739 -5.438 1.00 0.50 C ATOM 2665 O GLN B 72 -4.911 -3.880 -5.547 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.280 -7.054 -6.244 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.284 -6.512 -7.252 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.189 -7.365 -8.499 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.160 -8.003 -8.904 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.022 -7.383 -9.118 1.00 1.66 N ATOM 0 H GLN B 72 -7.016 -7.466 -4.534 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.499 -6.148 -4.461 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.962 -8.048 -5.928 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.250 -7.169 -6.728 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.572 -5.499 -7.532 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.301 -6.447 -6.786 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.241 -6.840 -8.750 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.902 -7.940 -9.964 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.049 -4.495 -5.679 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.509 -3.164 -6.033 1.00 0.47 C ATOM 2681 C GLU B 73 -7.547 -2.273 -4.791 1.00 0.36 C ATOM 2682 O GLU B 73 -7.297 -1.073 -4.869 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.861 -3.266 -6.725 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.762 -4.016 -8.042 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.094 -4.498 -8.563 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.528 -5.589 -8.141 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -10.691 -3.810 -9.410 1.00 1.99 O ATOM 0 H GLU B 73 -7.785 -5.200 -5.637 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.815 -2.698 -6.733 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.568 -3.774 -6.069 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.255 -2.265 -6.905 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.303 -3.366 -8.787 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.100 -4.872 -7.914 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.827 -2.876 -3.641 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.660 -2.198 -2.360 1.00 0.34 C ATOM 2696 C PHE B 74 -6.189 -1.853 -2.152 1.00 0.32 C ATOM 2697 O PHE B 74 -5.852 -0.885 -1.474 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.145 -3.078 -1.204 1.00 0.43 C ATOM 2699 CG PHE B 74 -9.626 -3.031 -0.937 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -10.238 -1.846 -0.556 1.00 1.44 C ATOM 2701 CD2 PHE B 74 -10.403 -4.174 -1.043 1.00 1.32 C ATOM 2702 CE1 PHE B 74 -11.594 -1.804 -0.288 1.00 1.92 C ATOM 2703 CE2 PHE B 74 -11.757 -4.138 -0.773 1.00 1.77 C ATOM 2704 CZ PHE B 74 -12.353 -2.951 -0.396 1.00 1.90 C ATOM 0 H PHE B 74 -8.171 -3.834 -3.569 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.258 -1.287 -2.375 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -7.863 -4.110 -1.412 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.619 -2.780 -0.297 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.648 -0.945 -0.468 1.00 1.44 H new ATOM 0 HD2 PHE B 74 -9.944 -5.105 -1.341 1.00 1.32 H new ATOM 0 HE1 PHE B 74 -12.058 -0.874 0.006 1.00 1.92 H new ATOM 0 HE2 PHE B 74 -12.349 -5.037 -0.857 1.00 1.77 H new ATOM 0 HZ PHE B 74 -13.412 -2.920 -0.186 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.323 -2.652 -2.757 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.891 -2.419 -2.713 1.00 0.36 C ATOM 2716 C ILE B 75 -3.568 -1.119 -3.427 1.00 0.34 C ATOM 2717 O ILE B 75 -2.758 -0.314 -2.957 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.128 -3.607 -3.348 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.564 -4.508 -2.263 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.023 -3.141 -4.282 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.219 -5.886 -2.756 1.00 0.67 C ATOM 0 H ILE B 75 -5.594 -3.478 -3.291 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.571 -2.338 -1.674 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.841 -4.173 -3.948 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.671 -4.045 -1.844 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.290 -4.590 -1.454 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.514 -4.007 -4.705 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.454 -2.545 -5.086 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.307 -2.536 -3.725 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.822 -6.478 -1.932 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.115 -6.367 -3.149 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.470 -5.813 -3.545 1.00 0.67 H new ATOM 2733 N SER B 76 -4.233 -0.910 -4.553 1.00 0.34 N ATOM 2734 CA SER B 76 -4.111 0.328 -5.282 1.00 0.36 C ATOM 2735 C SER B 76 -4.590 1.495 -4.424 1.00 0.31 C ATOM 2736 O SER B 76 -4.020 2.573 -4.468 1.00 0.33 O ATOM 2737 CB SER B 76 -4.901 0.240 -6.585 1.00 0.45 C ATOM 2738 OG SER B 76 -4.401 -0.806 -7.402 1.00 0.74 O ATOM 0 H SER B 76 -4.864 -1.590 -4.978 1.00 0.34 H new ATOM 0 HA SER B 76 -3.063 0.501 -5.527 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.955 0.066 -6.367 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.838 1.188 -7.119 1.00 0.45 H new ATOM 0 HG SER B 76 -4.920 -0.849 -8.232 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.616 1.261 -3.613 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.124 2.288 -2.705 1.00 0.26 C ATOM 2746 C LEU B 77 -5.015 2.755 -1.771 1.00 0.23 C ATOM 2747 O LEU B 77 -4.831 3.955 -1.568 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.331 1.743 -1.910 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.917 2.652 -0.809 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.112 2.566 0.482 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.001 4.091 -1.290 1.00 1.14 C ATOM 0 H LEU B 77 -6.113 0.371 -3.564 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.461 3.146 -3.286 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.127 1.514 -2.619 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.034 0.801 -1.448 1.00 0.30 H new ATOM 0 HG LEU B 77 -8.924 2.296 -0.593 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.556 3.220 1.232 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.118 1.539 0.847 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.085 2.877 0.292 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.417 4.715 -0.499 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.004 4.447 -1.547 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.643 4.144 -2.169 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.268 1.809 -1.217 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.180 2.143 -0.311 1.00 0.25 C ATOM 2765 C VAL B 78 -2.126 2.933 -1.056 1.00 0.27 C ATOM 2766 O VAL B 78 -1.484 3.803 -0.494 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.513 0.896 0.294 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.650 1.280 1.479 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.553 -0.133 0.692 1.00 0.31 C ATOM 0 H VAL B 78 -4.395 0.810 -1.379 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.611 2.727 0.502 1.00 0.25 H new ATOM 0 HB VAL B 78 -1.872 0.447 -0.465 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.185 0.386 1.895 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.875 1.974 1.155 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.268 1.756 2.240 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.057 -1.006 1.117 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.227 0.298 1.432 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.124 -0.432 -0.187 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.960 2.619 -2.329 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.042 3.353 -3.182 1.00 0.36 C ATOM 2781 C ALA B 79 -1.453 4.822 -3.255 1.00 0.33 C ATOM 2782 O ALA B 79 -0.643 5.722 -3.034 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.013 2.731 -4.569 1.00 0.43 C ATOM 0 H ALA B 79 -2.451 1.857 -2.796 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.039 3.299 -2.758 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.322 3.287 -5.203 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.684 1.694 -4.496 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.012 2.765 -5.004 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.730 5.044 -3.551 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.312 6.385 -3.574 1.00 0.32 C ATOM 2791 C ILE B 80 -3.127 7.066 -2.220 1.00 0.28 C ATOM 2792 O ILE B 80 -2.742 8.234 -2.136 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.832 6.332 -3.917 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.073 6.150 -5.423 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.550 7.587 -3.431 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.457 4.905 -6.018 1.00 0.40 C ATOM 0 H ILE B 80 -3.391 4.302 -3.782 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.797 6.956 -4.346 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.240 5.465 -3.398 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.148 6.129 -5.605 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.678 7.020 -5.948 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.608 7.522 -3.684 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.440 7.673 -2.350 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.115 8.464 -3.911 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.680 4.863 -7.084 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.377 4.929 -5.874 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.869 4.024 -5.526 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.385 6.307 -1.170 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.363 6.815 0.189 1.00 0.23 C ATOM 2810 C ALA B 81 -1.951 7.177 0.652 1.00 0.23 C ATOM 2811 O ALA B 81 -1.742 8.223 1.260 1.00 0.28 O ATOM 2812 CB ALA B 81 -3.992 5.790 1.110 1.00 0.24 C ATOM 0 H ALA B 81 -3.617 5.316 -1.237 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.940 7.739 0.219 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -3.979 6.164 2.134 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.022 5.608 0.803 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.428 4.859 1.057 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.988 6.316 0.359 1.00 0.22 N ATOM 2819 CA LEU B 82 0.403 6.560 0.724 1.00 0.23 C ATOM 2820 C LEU B 82 0.956 7.737 -0.068 1.00 0.24 C ATOM 2821 O LEU B 82 1.817 8.486 0.413 1.00 0.30 O ATOM 2822 CB LEU B 82 1.257 5.320 0.467 1.00 0.25 C ATOM 2823 CG LEU B 82 0.869 4.064 1.251 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.749 2.901 0.844 1.00 0.33 C ATOM 2825 CD2 LEU B 82 0.977 4.307 2.744 1.00 0.32 C ATOM 0 H LEU B 82 -1.144 5.436 -0.133 1.00 0.22 H new ATOM 0 HA LEU B 82 0.439 6.794 1.788 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.214 5.088 -0.597 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.294 5.563 0.699 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.168 3.821 1.018 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.463 2.013 1.409 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.627 2.708 -0.222 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.791 3.143 1.052 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.697 3.401 3.281 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.003 4.575 2.996 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.309 5.120 3.030 1.00 0.32 H new ATOM 2837 N LYS B 83 0.478 7.887 -1.298 1.00 0.26 N ATOM 2838 CA LYS B 83 0.788 9.066 -2.087 1.00 0.33 C ATOM 2839 C LYS B 83 0.195 10.290 -1.416 1.00 0.31 C ATOM 2840 O LYS B 83 0.884 11.267 -1.195 1.00 0.44 O ATOM 2841 CB LYS B 83 0.252 8.945 -3.514 1.00 0.42 C ATOM 2842 CG LYS B 83 1.196 8.265 -4.491 1.00 0.66 C ATOM 2843 CD LYS B 83 1.547 9.160 -5.669 1.00 1.04 C ATOM 2844 CE LYS B 83 2.537 10.245 -5.280 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.897 11.105 -6.438 1.00 1.67 N ATOM 0 H LYS B 83 -0.123 7.208 -1.766 1.00 0.26 H new ATOM 0 HA LYS B 83 1.872 9.161 -2.147 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.686 8.390 -3.490 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.022 9.943 -3.887 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.110 7.978 -3.970 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.737 7.347 -4.858 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.968 8.555 -6.472 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.639 9.620 -6.059 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.109 10.861 -4.489 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.438 9.786 -4.874 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.926 11.075 -6.586 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.414 10.758 -7.291 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.603 12.084 -6.248 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.079 10.213 -1.061 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.754 11.314 -0.385 1.00 0.35 C ATOM 2861 C ALA B 84 -1.095 11.654 0.953 1.00 0.33 C ATOM 2862 O ALA B 84 -1.228 12.771 1.446 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.223 10.981 -0.179 1.00 0.48 C ATOM 0 H ALA B 84 -1.669 9.398 -1.230 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.669 12.193 -1.024 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.717 11.811 0.327 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.697 10.812 -1.146 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.310 10.081 0.430 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.391 10.687 1.534 1.00 0.30 N ATOM 2870 CA ALA B 85 0.282 10.888 2.811 1.00 0.38 C ATOM 2871 C ALA B 85 1.587 11.674 2.652 1.00 0.44 C ATOM 2872 O ALA B 85 1.739 12.755 3.218 1.00 0.57 O ATOM 2873 CB ALA B 85 0.550 9.548 3.481 1.00 0.42 C ATOM 0 H ALA B 85 -0.272 9.754 1.139 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.381 11.479 3.443 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.053 9.712 4.434 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.395 9.032 3.653 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.184 8.939 2.836 1.00 0.42 H new ATOM 2879 N HIS B 86 2.527 11.137 1.877 1.00 0.44 N ATOM 2880 CA HIS B 86 3.843 11.766 1.734 1.00 0.59 C ATOM 2881 C HIS B 86 3.781 12.920 0.732 1.00 0.63 C ATOM 2882 O HIS B 86 4.395 13.962 0.915 1.00 0.72 O ATOM 2883 CB HIS B 86 4.893 10.720 1.310 1.00 0.69 C ATOM 2884 CG HIS B 86 4.975 10.443 -0.164 1.00 1.28 C ATOM 2885 ND1 HIS B 86 4.203 9.493 -0.800 1.00 2.06 N ATOM 2886 CD2 HIS B 86 5.753 10.998 -1.126 1.00 2.11 C ATOM 2887 CE1 HIS B 86 4.504 9.476 -2.087 1.00 2.66 C ATOM 2888 NE2 HIS B 86 5.440 10.379 -2.309 1.00 2.68 N ATOM 0 H HIS B 86 2.407 10.277 1.342 1.00 0.44 H new ATOM 0 HA HIS B 86 4.141 12.175 2.699 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.872 11.054 1.654 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.676 9.784 1.826 1.00 0.69 H new ATOM 0 HD1 HIS B 86 3.509 8.897 -0.348 1.00 2.06 H new ATOM 0 HD2 HIS B 86 6.483 11.782 -0.987 1.00 2.11 H new ATOM 0 HE1 HIS B 86 4.059 8.832 -2.831 1.00 2.66 H new ATOM 2897 N TYR B 87 3.014 12.699 -0.316 1.00 0.58 N ATOM 2898 CA TYR B 87 2.804 13.659 -1.390 1.00 0.65 C ATOM 2899 C TYR B 87 1.601 14.541 -1.056 1.00 0.62 C ATOM 2900 O TYR B 87 0.896 14.993 -1.951 1.00 0.66 O ATOM 2901 CB TYR B 87 2.625 12.941 -2.736 1.00 0.69 C ATOM 2902 CG TYR B 87 2.707 13.847 -3.946 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.902 14.459 -4.299 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.591 14.080 -4.740 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.981 15.279 -5.407 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.663 14.900 -5.848 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.860 15.495 -6.178 1.00 1.29 C ATOM 2908 OH TYR B 87 2.936 16.309 -7.285 1.00 1.51 O ATOM 0 H TYR B 87 2.505 11.826 -0.451 1.00 0.58 H new ATOM 0 HA TYR B 87 3.684 14.296 -1.483 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.387 12.167 -2.825 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.658 12.438 -2.739 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.783 14.291 -3.698 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.652 13.612 -4.486 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.918 15.749 -5.668 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.785 15.074 -6.453 1.00 1.54 H new ATOM 0 HH TYR B 87 2.058 16.355 -7.718 1.00 1.51 H new ATOM 2918 N HIS B 88 1.306 14.630 0.252 1.00 0.59 N ATOM 2919 CA HIS B 88 0.171 15.392 0.835 1.00 0.62 C ATOM 2920 C HIS B 88 -0.011 16.834 0.310 1.00 0.70 C ATOM 2921 O HIS B 88 -0.656 17.653 0.962 1.00 0.76 O ATOM 2922 CB HIS B 88 0.307 15.441 2.366 1.00 0.65 C ATOM 2923 CG HIS B 88 1.527 16.171 2.859 1.00 1.54 C ATOM 2924 ND1 HIS B 88 1.498 17.476 3.306 1.00 2.37 N ATOM 2925 CD2 HIS B 88 2.814 15.765 2.986 1.00 2.40 C ATOM 2926 CE1 HIS B 88 2.710 17.838 3.683 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.524 16.820 3.500 1.00 3.27 N ATOM 0 H HIS B 88 1.866 14.160 0.963 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.717 14.845 0.516 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.580 15.919 2.782 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.329 14.421 2.749 1.00 0.65 H new ATOM 0 HD2 HIS B 88 3.207 14.792 2.730 1.00 2.40 H new ATOM 0 HE1 HIS B 88 2.987 18.805 4.075 1.00 3.26 H new ATOM 0 HE2 HIS B 88 4.523 16.816 3.707 1.00 3.27 H new ATOM 2936 N THR B 89 0.541 17.140 -0.842 1.00 0.73 N ATOM 2937 CA THR B 89 0.333 18.414 -1.496 1.00 0.81 C ATOM 2938 C THR B 89 -0.929 18.332 -2.350 1.00 0.72 C ATOM 2939 O THR B 89 -1.170 19.179 -3.212 1.00 1.05 O ATOM 2940 CB THR B 89 1.548 18.768 -2.379 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.408 20.084 -2.935 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.721 17.754 -3.503 1.00 0.90 C ATOM 0 H THR B 89 1.153 16.507 -1.357 1.00 0.73 H new ATOM 0 HA THR B 89 0.218 19.194 -0.743 1.00 0.81 H new ATOM 0 HB THR B 89 2.434 18.743 -1.744 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.477 20.228 -3.205 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.584 18.027 -4.110 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.876 16.762 -3.078 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.827 17.746 -4.127 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.717 17.287 -2.068 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.937 16.945 -2.789 1.00 0.65 C ATOM 2952 C HIS B 90 -2.596 16.074 -3.977 1.00 0.94 C ATOM 2953 O HIS B 90 -2.360 16.561 -5.080 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.760 18.160 -3.236 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.446 18.885 -2.116 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -5.793 19.181 -2.128 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.965 19.387 -0.954 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -6.109 19.832 -1.024 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -5.019 19.969 -0.297 1.00 3.47 N ATOM 0 H HIS B 90 -1.512 16.640 -1.307 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.570 16.402 -2.087 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.104 18.857 -3.757 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.511 17.831 -3.955 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -2.943 19.338 -0.609 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -7.093 20.191 -0.762 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -4.967 20.434 0.610 1.00 3.47 H new