USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= -2.45! C(o=-3.7!,f=-2.7!) USER MOD Set 1.2: A 116 HIS : no HD1:sc= -1.28 K(o=-3.7,f=-9.3!) USER MOD Set 2.1: A 88 THR OG1 : rot -43:sc= 0.39 USER MOD Set 2.2: A 90 ASN : amide:sc= -3.08! K(o=-2.7!,f=-2.1) USER MOD Set 3.1: A 70 TYR OH : rot -6:sc= 0.895 USER MOD Set 3.2: A 72 ASN : amide:sc= -0.145 K(o=0.75,f=-1!) USER MOD Set 4.1: A 44 LYS NZ :NH3+ -108:sc= 1.15 (180deg=0.19) USER MOD Set 4.2: A 95 TYR OH : rot -3:sc= 2.21 USER MOD Single : A 10 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.5) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.335 K(o=-0.34,f=-1.2) USER MOD Single : A 32 ASN : amide:sc= 0.729 K(o=0.73,f=-1.1!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -143:sc= 0.266 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc=-0.00974 K(o=-0.0097,f=-1.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.51! C(o=-3.5!,f=-16!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 140:sc= -0.501 USER MOD Single : A 84 MET CE :methyl -130:sc= -0.394 (180deg=-1.93!) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 92 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 94 SER OG : rot 13:sc= 0.668 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 98 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.4!) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= -2.8 (180deg=-4.23) USER MOD Single : A 103 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.1!) USER MOD Single : A 105 MET CE :methyl -161:sc= -0.0306 (180deg=-0.274) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 112 GLN : amide:sc= -3.09! C(o=-3.1!,f=-7.7!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 10 1.644 15.809 9.335 1.00 0.00 N ATOM 91 CA GLN A 10 1.939 14.983 8.170 1.00 0.00 C ATOM 92 C GLN A 10 0.888 13.892 7.996 1.00 0.00 C ATOM 93 O GLN A 10 0.600 13.138 8.926 1.00 0.00 O ATOM 94 CB GLN A 10 3.327 14.354 8.304 1.00 0.00 C ATOM 95 CG GLN A 10 3.415 13.301 9.396 1.00 0.00 C ATOM 96 CD GLN A 10 4.842 13.023 9.826 1.00 0.00 C ATOM 97 OE1 GLN A 10 5.629 13.945 10.039 1.00 0.00 O ATOM 98 NE2 GLN A 10 5.183 11.746 9.956 1.00 0.00 N ATOM 0 HA GLN A 10 1.921 15.623 7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.605 13.902 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.054 15.139 8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.837 13.630 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.960 12.376 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.498 11.014 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.130 11.498 10.243 1.00 0.00 H new ATOM 107 N LEU A 11 0.318 13.813 6.798 1.00 0.00 N ATOM 108 CA LEU A 11 -0.703 12.814 6.501 1.00 0.00 C ATOM 109 C LEU A 11 -0.292 11.443 7.028 1.00 0.00 C ATOM 110 O LEU A 11 0.786 10.940 6.708 1.00 0.00 O ATOM 111 CB LEU A 11 -0.950 12.741 4.994 1.00 0.00 C ATOM 112 CG LEU A 11 -2.379 12.409 4.563 1.00 0.00 C ATOM 113 CD1 LEU A 11 -2.631 12.883 3.140 1.00 0.00 C ATOM 114 CD2 LEU A 11 -2.638 10.914 4.683 1.00 0.00 C ATOM 0 H LEU A 11 0.546 14.428 6.017 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.625 13.113 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.672 13.699 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.281 11.991 4.572 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.069 12.932 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.653 12.638 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.487 13.962 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.934 12.389 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.660 10.696 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.941 10.372 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.499 10.603 5.718 1.00 0.00 H new ATOM 126 N THR A 12 -1.159 10.840 7.835 1.00 0.00 N ATOM 127 CA THR A 12 -0.887 9.527 8.405 1.00 0.00 C ATOM 128 C THR A 12 -2.134 8.650 8.385 1.00 0.00 C ATOM 129 O THR A 12 -3.221 9.109 8.036 1.00 0.00 O ATOM 130 CB THR A 12 -0.375 9.638 9.854 1.00 0.00 C ATOM 131 OG1 THR A 12 0.175 8.385 10.276 1.00 0.00 O ATOM 132 CG2 THR A 12 -1.497 10.048 10.795 1.00 0.00 C ATOM 0 H THR A 12 -2.056 11.241 8.109 1.00 0.00 H new ATOM 0 HA THR A 12 -0.114 9.069 7.788 1.00 0.00 H new ATOM 0 HB THR A 12 0.400 10.404 9.884 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.500 8.464 11.197 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.111 10.120 11.812 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.894 11.016 10.488 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.292 9.303 10.760 1.00 0.00 H new ATOM 140 N ILE A 13 -1.969 7.386 8.761 1.00 0.00 N ATOM 141 CA ILE A 13 -3.082 6.446 8.788 1.00 0.00 C ATOM 142 C ILE A 13 -3.002 5.533 10.006 1.00 0.00 C ATOM 143 O ILE A 13 -1.961 4.935 10.278 1.00 0.00 O ATOM 144 CB ILE A 13 -3.119 5.581 7.514 1.00 0.00 C ATOM 145 CG1 ILE A 13 -3.456 6.443 6.296 1.00 0.00 C ATOM 146 CG2 ILE A 13 -4.129 4.454 7.668 1.00 0.00 C ATOM 147 CD1 ILE A 13 -3.237 5.737 4.976 1.00 0.00 C ATOM 0 H ILE A 13 -1.075 6.990 9.051 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.995 7.040 8.842 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.133 5.141 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.497 6.759 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.847 7.347 6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.143 3.852 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.849 3.827 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.120 4.874 7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.496 6.408 4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.190 5.445 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.866 4.848 4.930 1.00 0.00 H new ATOM 159 N GLU A 14 -4.108 5.430 10.736 1.00 0.00 N ATOM 160 CA GLU A 14 -4.162 4.588 11.926 1.00 0.00 C ATOM 161 C GLU A 14 -5.222 3.500 11.774 1.00 0.00 C ATOM 162 O GLU A 14 -6.392 3.789 11.526 1.00 0.00 O ATOM 163 CB GLU A 14 -4.459 5.436 13.164 1.00 0.00 C ATOM 164 CG GLU A 14 -4.548 4.628 14.448 1.00 0.00 C ATOM 165 CD GLU A 14 -4.909 5.479 15.650 1.00 0.00 C ATOM 166 OE1 GLU A 14 -6.082 5.896 15.752 1.00 0.00 O ATOM 167 OE2 GLU A 14 -4.018 5.729 16.488 1.00 0.00 O ATOM 0 H GLU A 14 -4.978 5.919 10.525 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.190 4.110 12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.680 6.191 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.399 5.967 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.294 3.842 14.327 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.593 4.136 14.630 1.00 0.00 H new ATOM 174 N ALA A 15 -4.802 2.249 11.926 1.00 0.00 N ATOM 175 CA ALA A 15 -5.714 1.117 11.808 1.00 0.00 C ATOM 176 C ALA A 15 -6.603 0.999 13.041 1.00 0.00 C ATOM 177 O ALA A 15 -6.148 1.193 14.168 1.00 0.00 O ATOM 178 CB ALA A 15 -4.932 -0.170 11.593 1.00 0.00 C ATOM 0 H ALA A 15 -3.836 1.993 12.131 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.356 1.287 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.625 -1.007 11.507 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.344 -0.090 10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.266 -0.337 12.439 1.00 0.00 H new ATOM 184 N VAL A 16 -7.875 0.679 12.819 1.00 0.00 N ATOM 185 CA VAL A 16 -8.828 0.534 13.912 1.00 0.00 C ATOM 186 C VAL A 16 -9.759 -0.650 13.676 1.00 0.00 C ATOM 187 O VAL A 16 -10.640 -0.617 12.816 1.00 0.00 O ATOM 188 CB VAL A 16 -9.673 1.809 14.093 1.00 0.00 C ATOM 189 CG1 VAL A 16 -10.675 1.631 15.223 1.00 0.00 C ATOM 190 CG2 VAL A 16 -8.776 3.011 14.349 1.00 0.00 C ATOM 0 H VAL A 16 -8.268 0.516 11.892 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.247 0.361 14.818 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.229 1.989 13.173 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.262 2.542 15.335 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.339 0.798 14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.143 1.425 16.152 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.390 3.903 14.474 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.191 2.843 15.253 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.103 3.150 13.503 1.00 0.00 H new ATOM 200 N PRO A 17 -9.562 -1.723 14.456 1.00 0.00 N ATOM 201 CA PRO A 17 -8.516 -1.774 15.482 1.00 0.00 C ATOM 202 C PRO A 17 -7.116 -1.832 14.880 1.00 0.00 C ATOM 203 O PRO A 17 -6.955 -1.861 13.660 1.00 0.00 O ATOM 204 CB PRO A 17 -8.826 -3.067 16.241 1.00 0.00 C ATOM 205 CG PRO A 17 -9.556 -3.916 15.259 1.00 0.00 C ATOM 206 CD PRO A 17 -10.344 -2.969 14.397 1.00 0.00 C ATOM 0 HA PRO A 17 -8.518 -0.884 16.111 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.913 -3.554 16.584 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.434 -2.872 17.124 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.861 -4.504 14.659 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.214 -4.621 15.766 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.436 -3.338 13.375 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.356 -2.827 14.777 1.00 0.00 H new ATOM 214 N SER A 18 -6.106 -1.848 15.744 1.00 0.00 N ATOM 215 CA SER A 18 -4.719 -1.900 15.297 1.00 0.00 C ATOM 216 C SER A 18 -4.304 -3.332 14.975 1.00 0.00 C ATOM 217 O SER A 18 -3.350 -3.562 14.233 1.00 0.00 O ATOM 218 CB SER A 18 -3.794 -1.318 16.368 1.00 0.00 C ATOM 219 OG SER A 18 -2.480 -1.141 15.866 1.00 0.00 O ATOM 0 H SER A 18 -6.222 -1.826 16.757 1.00 0.00 H new ATOM 0 HA SER A 18 -4.634 -1.303 14.389 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.187 -0.361 16.712 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.770 -1.982 17.232 1.00 0.00 H new ATOM 0 HG SER A 18 -1.909 -0.767 16.569 1.00 0.00 H new ATOM 225 N ASN A 19 -5.030 -4.292 15.540 1.00 0.00 N ATOM 226 CA ASN A 19 -4.738 -5.703 15.314 1.00 0.00 C ATOM 227 C ASN A 19 -6.000 -6.549 15.455 1.00 0.00 C ATOM 228 O ASN A 19 -6.478 -6.789 16.563 1.00 0.00 O ATOM 229 CB ASN A 19 -3.673 -6.189 16.299 1.00 0.00 C ATOM 230 CG ASN A 19 -4.228 -6.395 17.696 1.00 0.00 C ATOM 231 OD1 ASN A 19 -4.131 -7.484 18.260 1.00 0.00 O ATOM 232 ND2 ASN A 19 -4.813 -5.345 18.260 1.00 0.00 N ATOM 0 H ASN A 19 -5.824 -4.119 16.157 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.360 -5.812 14.297 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.248 -7.126 15.938 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.860 -5.464 16.337 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.205 -5.423 19.199 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.871 -4.461 17.755 1.00 0.00 H new ATOM 239 N ALA A 20 -6.534 -6.998 14.323 1.00 0.00 N ATOM 240 CA ALA A 20 -7.738 -7.819 14.320 1.00 0.00 C ATOM 241 C ALA A 20 -7.408 -9.277 14.022 1.00 0.00 C ATOM 242 O ALA A 20 -6.253 -9.624 13.776 1.00 0.00 O ATOM 243 CB ALA A 20 -8.739 -7.284 13.306 1.00 0.00 C ATOM 0 H ALA A 20 -6.151 -6.807 13.397 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.183 -7.771 15.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.634 -7.907 13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.007 -6.260 13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.294 -7.302 12.311 1.00 0.00 H new ATOM 249 N ALA A 21 -8.429 -10.127 14.046 1.00 0.00 N ATOM 250 CA ALA A 21 -8.247 -11.548 13.776 1.00 0.00 C ATOM 251 C ALA A 21 -9.009 -11.972 12.525 1.00 0.00 C ATOM 252 O ALA A 21 -9.951 -11.302 12.105 1.00 0.00 O ATOM 253 CB ALA A 21 -8.694 -12.374 14.974 1.00 0.00 C ATOM 0 H ALA A 21 -9.391 -9.856 14.250 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.186 -11.726 13.601 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.553 -13.433 14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.102 -12.099 15.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.748 -12.182 15.175 1.00 0.00 H new ATOM 259 N GLU A 22 -8.593 -13.088 11.934 1.00 0.00 N ATOM 260 CA GLU A 22 -9.237 -13.599 10.730 1.00 0.00 C ATOM 261 C GLU A 22 -10.756 -13.526 10.852 1.00 0.00 C ATOM 262 O GLU A 22 -11.330 -13.950 11.854 1.00 0.00 O ATOM 263 CB GLU A 22 -8.804 -15.043 10.467 1.00 0.00 C ATOM 264 CG GLU A 22 -7.448 -15.159 9.792 1.00 0.00 C ATOM 265 CD GLU A 22 -6.791 -16.505 10.029 1.00 0.00 C ATOM 266 OE1 GLU A 22 -7.371 -17.530 9.615 1.00 0.00 O ATOM 267 OE2 GLU A 22 -5.697 -16.533 10.630 1.00 0.00 O ATOM 0 H GLU A 22 -7.814 -13.655 12.269 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.927 -12.976 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.777 -15.583 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.554 -15.530 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.565 -15.000 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.794 -14.370 10.162 1.00 0.00 H new ATOM 274 N GLY A 23 -11.401 -12.984 9.824 1.00 0.00 N ATOM 275 CA GLY A 23 -12.848 -12.864 9.835 1.00 0.00 C ATOM 276 C GLY A 23 -13.314 -11.527 10.376 1.00 0.00 C ATOM 277 O GLY A 23 -14.481 -11.163 10.232 1.00 0.00 O ATOM 0 H GLY A 23 -10.948 -12.626 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.228 -12.995 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.271 -13.665 10.441 1.00 0.00 H new ATOM 281 N LYS A 24 -12.401 -10.793 11.003 1.00 0.00 N ATOM 282 CA LYS A 24 -12.724 -9.488 11.569 1.00 0.00 C ATOM 283 C LYS A 24 -12.552 -8.386 10.528 1.00 0.00 C ATOM 284 O LYS A 24 -12.185 -8.653 9.384 1.00 0.00 O ATOM 285 CB LYS A 24 -11.836 -9.202 12.782 1.00 0.00 C ATOM 286 CG LYS A 24 -12.087 -10.136 13.953 1.00 0.00 C ATOM 287 CD LYS A 24 -13.341 -9.748 14.718 1.00 0.00 C ATOM 288 CE LYS A 24 -13.820 -10.879 15.614 1.00 0.00 C ATOM 289 NZ LYS A 24 -14.786 -10.402 16.642 1.00 0.00 N ATOM 0 H LYS A 24 -11.431 -11.080 11.132 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.767 -9.505 11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.791 -9.280 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.999 -8.174 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.184 -11.159 13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.229 -10.117 14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.140 -8.864 15.323 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.130 -9.481 14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.290 -11.651 15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.964 -11.339 16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.088 -11.203 17.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.330 -9.684 17.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.615 -9.986 16.172 1.00 0.00 H new ATOM 303 N GLU A 25 -12.817 -7.149 10.934 1.00 0.00 N ATOM 304 CA GLU A 25 -12.691 -6.007 10.036 1.00 0.00 C ATOM 305 C GLU A 25 -11.722 -4.973 10.603 1.00 0.00 C ATOM 306 O GLU A 25 -11.572 -4.848 11.818 1.00 0.00 O ATOM 307 CB GLU A 25 -14.058 -5.364 9.797 1.00 0.00 C ATOM 308 CG GLU A 25 -15.152 -6.365 9.466 1.00 0.00 C ATOM 309 CD GLU A 25 -15.707 -7.051 10.699 1.00 0.00 C ATOM 310 OE1 GLU A 25 -16.130 -6.340 11.635 1.00 0.00 O ATOM 311 OE2 GLU A 25 -15.719 -8.299 10.728 1.00 0.00 O ATOM 0 H GLU A 25 -13.120 -6.912 11.879 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.296 -6.367 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.347 -4.804 10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.975 -4.646 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.961 -5.854 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.757 -7.117 8.783 1.00 0.00 H new ATOM 318 N VAL A 26 -11.066 -4.235 9.713 1.00 0.00 N ATOM 319 CA VAL A 26 -10.112 -3.211 10.124 1.00 0.00 C ATOM 320 C VAL A 26 -10.325 -1.918 9.346 1.00 0.00 C ATOM 321 O VAL A 26 -10.245 -1.899 8.117 1.00 0.00 O ATOM 322 CB VAL A 26 -8.660 -3.685 9.923 1.00 0.00 C ATOM 323 CG1 VAL A 26 -7.693 -2.520 10.073 1.00 0.00 C ATOM 324 CG2 VAL A 26 -8.323 -4.799 10.903 1.00 0.00 C ATOM 0 H VAL A 26 -11.177 -4.327 8.703 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.283 -3.026 11.184 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.561 -4.080 8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.672 -2.873 9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.923 -1.758 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.790 -2.092 11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.294 -5.122 10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.438 -4.433 11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.996 -5.641 10.742 1.00 0.00 H new ATOM 334 N LEU A 27 -10.597 -0.837 10.069 1.00 0.00 N ATOM 335 CA LEU A 27 -10.821 0.463 9.447 1.00 0.00 C ATOM 336 C LEU A 27 -9.560 1.319 9.503 1.00 0.00 C ATOM 337 O LEU A 27 -9.172 1.804 10.568 1.00 0.00 O ATOM 338 CB LEU A 27 -11.975 1.190 10.140 1.00 0.00 C ATOM 339 CG LEU A 27 -12.131 2.674 9.808 1.00 0.00 C ATOM 340 CD1 LEU A 27 -12.966 2.854 8.550 1.00 0.00 C ATOM 341 CD2 LEU A 27 -12.756 3.420 10.977 1.00 0.00 C ATOM 0 H LEU A 27 -10.668 -0.835 11.087 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.079 0.297 8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.904 0.681 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.845 1.091 11.218 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.141 3.092 9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.067 3.917 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.477 2.354 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.954 2.420 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.859 4.475 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.739 3.001 11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.118 3.320 11.855 1.00 0.00 H new ATOM 353 N LEU A 28 -8.924 1.503 8.352 1.00 0.00 N ATOM 354 CA LEU A 28 -7.707 2.302 8.269 1.00 0.00 C ATOM 355 C LEU A 28 -8.037 3.789 8.185 1.00 0.00 C ATOM 356 O LEU A 28 -8.265 4.326 7.100 1.00 0.00 O ATOM 357 CB LEU A 28 -6.879 1.883 7.052 1.00 0.00 C ATOM 358 CG LEU A 28 -6.286 0.474 7.098 1.00 0.00 C ATOM 359 CD1 LEU A 28 -5.668 0.112 5.756 1.00 0.00 C ATOM 360 CD2 LEU A 28 -5.252 0.367 8.210 1.00 0.00 C ATOM 0 H LEU A 28 -9.231 1.109 7.463 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.125 2.127 9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.507 1.963 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.063 2.595 6.930 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.090 -0.232 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.251 -0.894 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.434 0.148 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.876 0.822 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.840 -0.642 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.450 1.083 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.724 0.584 9.168 1.00 0.00 H new ATOM 372 N LEU A 29 -8.059 4.450 9.337 1.00 0.00 N ATOM 373 CA LEU A 29 -8.359 5.877 9.394 1.00 0.00 C ATOM 374 C LEU A 29 -7.187 6.701 8.870 1.00 0.00 C ATOM 375 O LEU A 29 -6.071 6.199 8.737 1.00 0.00 O ATOM 376 CB LEU A 29 -8.687 6.292 10.830 1.00 0.00 C ATOM 377 CG LEU A 29 -10.159 6.206 11.233 1.00 0.00 C ATOM 378 CD1 LEU A 29 -10.313 6.386 12.736 1.00 0.00 C ATOM 379 CD2 LEU A 29 -10.980 7.245 10.483 1.00 0.00 C ATOM 0 H LEU A 29 -7.873 4.021 10.244 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.225 6.067 8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.108 5.666 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.350 7.318 10.976 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.531 5.217 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.368 6.322 13.004 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.758 5.604 13.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.923 7.361 13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.025 7.169 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.607 8.242 10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.897 7.070 9.410 1.00 0.00 H new ATOM 391 N VAL A 30 -7.448 7.971 8.577 1.00 0.00 N ATOM 392 CA VAL A 30 -6.415 8.866 8.070 1.00 0.00 C ATOM 393 C VAL A 30 -6.469 10.220 8.771 1.00 0.00 C ATOM 394 O VAL A 30 -7.542 10.796 8.949 1.00 0.00 O ATOM 395 CB VAL A 30 -6.553 9.081 6.551 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.227 9.525 5.952 1.00 0.00 C ATOM 397 CG2 VAL A 30 -7.054 7.812 5.878 1.00 0.00 C ATOM 0 H VAL A 30 -8.366 8.403 8.682 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.456 8.391 8.276 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.284 9.870 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.344 9.672 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.914 10.461 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.472 8.760 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.146 7.981 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.348 7.001 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.028 7.543 6.288 1.00 0.00 H new ATOM 407 N HIS A 31 -5.304 10.722 9.166 1.00 0.00 N ATOM 408 CA HIS A 31 -5.217 12.009 9.846 1.00 0.00 C ATOM 409 C HIS A 31 -4.364 12.990 9.048 1.00 0.00 C ATOM 410 O HIS A 31 -3.632 12.596 8.142 1.00 0.00 O ATOM 411 CB HIS A 31 -4.633 11.831 11.248 1.00 0.00 C ATOM 412 CG HIS A 31 -5.103 10.589 11.939 1.00 0.00 C ATOM 413 ND1 HIS A 31 -6.437 10.293 12.132 1.00 0.00 N ATOM 414 CD2 HIS A 31 -4.410 9.562 12.484 1.00 0.00 C ATOM 415 CE1 HIS A 31 -6.542 9.140 12.767 1.00 0.00 C ATOM 416 NE2 HIS A 31 -5.327 8.675 12.991 1.00 0.00 N ATOM 0 H HIS A 31 -4.407 10.257 9.027 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.225 12.416 9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.545 11.809 11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.897 12.697 11.855 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.220 10.874 11.831 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.335 9.459 12.514 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.465 8.659 13.054 1.00 0.00 H new ATOM 425 N ASN A 32 -4.466 14.270 9.390 1.00 0.00 N ATOM 426 CA ASN A 32 -3.704 15.308 8.704 1.00 0.00 C ATOM 427 C ASN A 32 -4.073 15.365 7.225 1.00 0.00 C ATOM 428 O ASN A 32 -3.254 15.734 6.383 1.00 0.00 O ATOM 429 CB ASN A 32 -2.203 15.054 8.857 1.00 0.00 C ATOM 430 CG ASN A 32 -1.678 15.490 10.211 1.00 0.00 C ATOM 431 OD1 ASN A 32 -2.144 16.477 10.781 1.00 0.00 O ATOM 432 ND2 ASN A 32 -0.703 14.755 10.733 1.00 0.00 N ATOM 0 H ASN A 32 -5.069 14.614 10.138 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.951 16.267 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.001 13.992 8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.665 15.587 8.073 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.310 15.000 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.347 13.945 10.225 1.00 0.00 H new ATOM 439 N LEU A 33 -5.312 14.998 6.915 1.00 0.00 N ATOM 440 CA LEU A 33 -5.791 15.008 5.537 1.00 0.00 C ATOM 441 C LEU A 33 -5.657 16.398 4.924 1.00 0.00 C ATOM 442 O LEU A 33 -5.534 17.403 5.624 1.00 0.00 O ATOM 443 CB LEU A 33 -7.250 14.551 5.481 1.00 0.00 C ATOM 444 CG LEU A 33 -7.478 13.045 5.349 1.00 0.00 C ATOM 445 CD1 LEU A 33 -8.947 12.707 5.553 1.00 0.00 C ATOM 446 CD2 LEU A 33 -6.999 12.550 3.992 1.00 0.00 C ATOM 0 H LEU A 33 -6.003 14.690 7.599 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.178 14.316 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.753 14.896 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.733 15.046 4.639 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.899 12.541 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.090 11.631 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.259 13.026 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.547 13.222 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.169 11.476 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.550 13.062 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.934 12.757 3.884 1.00 0.00 H new ATOM 458 N PRO A 34 -5.683 16.459 3.584 1.00 0.00 N ATOM 459 CA PRO A 34 -5.568 17.720 2.847 1.00 0.00 C ATOM 460 C PRO A 34 -6.803 18.601 3.009 1.00 0.00 C ATOM 461 O PRO A 34 -7.914 18.100 3.183 1.00 0.00 O ATOM 462 CB PRO A 34 -5.420 17.269 1.392 1.00 0.00 C ATOM 463 CG PRO A 34 -6.072 15.930 1.343 1.00 0.00 C ATOM 464 CD PRO A 34 -5.827 15.301 2.686 1.00 0.00 C ATOM 0 HA PRO A 34 -4.737 18.327 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.902 17.969 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.371 17.210 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.140 16.023 1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.651 15.320 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.656 14.660 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.930 14.682 2.682 1.00 0.00 H new ATOM 472 N GLN A 35 -6.600 19.913 2.950 1.00 0.00 N ATOM 473 CA GLN A 35 -7.698 20.862 3.090 1.00 0.00 C ATOM 474 C GLN A 35 -8.873 20.471 2.200 1.00 0.00 C ATOM 475 O GLN A 35 -9.994 20.296 2.676 1.00 0.00 O ATOM 476 CB GLN A 35 -7.226 22.275 2.742 1.00 0.00 C ATOM 477 CG GLN A 35 -6.571 22.378 1.375 1.00 0.00 C ATOM 478 CD GLN A 35 -5.676 23.595 1.246 1.00 0.00 C ATOM 479 OE1 GLN A 35 -6.089 24.717 1.540 1.00 0.00 O ATOM 480 NE2 GLN A 35 -4.442 23.379 0.805 1.00 0.00 N ATOM 0 H GLN A 35 -5.686 20.343 2.806 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.031 20.843 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.078 22.953 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.519 22.610 3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.984 21.479 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.344 22.418 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.142 22.432 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.795 24.160 0.698 1.00 0.00 H new ATOM 489 N ASP A 36 -8.607 20.336 0.905 1.00 0.00 N ATOM 490 CA ASP A 36 -9.643 19.966 -0.053 1.00 0.00 C ATOM 491 C ASP A 36 -9.159 18.846 -0.969 1.00 0.00 C ATOM 492 O ASP A 36 -8.462 19.076 -1.957 1.00 0.00 O ATOM 493 CB ASP A 36 -10.055 21.180 -0.886 1.00 0.00 C ATOM 494 CG ASP A 36 -10.634 22.295 -0.036 1.00 0.00 C ATOM 495 OD1 ASP A 36 -11.445 21.994 0.865 1.00 0.00 O ATOM 496 OD2 ASP A 36 -10.276 23.467 -0.273 1.00 0.00 O ATOM 0 H ASP A 36 -7.684 20.477 0.495 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.508 19.608 0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.188 21.555 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.791 20.874 -1.630 1.00 0.00 H new ATOM 501 N PRO A 37 -9.536 17.603 -0.634 1.00 0.00 N ATOM 502 CA PRO A 37 -9.152 16.422 -1.414 1.00 0.00 C ATOM 503 C PRO A 37 -9.845 16.372 -2.771 1.00 0.00 C ATOM 504 O PRO A 37 -10.937 16.915 -2.941 1.00 0.00 O ATOM 505 CB PRO A 37 -9.609 15.254 -0.537 1.00 0.00 C ATOM 506 CG PRO A 37 -10.716 15.811 0.290 1.00 0.00 C ATOM 507 CD PRO A 37 -10.367 17.254 0.530 1.00 0.00 C ATOM 0 HA PRO A 37 -8.086 16.412 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.951 14.415 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.795 14.886 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.672 15.721 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.810 15.270 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.258 17.878 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.823 17.386 1.466 1.00 0.00 H new ATOM 515 N ARG A 38 -9.205 15.718 -3.734 1.00 0.00 N ATOM 516 CA ARG A 38 -9.760 15.599 -5.077 1.00 0.00 C ATOM 517 C ARG A 38 -10.151 14.154 -5.377 1.00 0.00 C ATOM 518 O ARG A 38 -11.082 13.898 -6.138 1.00 0.00 O ATOM 519 CB ARG A 38 -8.751 16.092 -6.115 1.00 0.00 C ATOM 520 CG ARG A 38 -9.387 16.515 -7.429 1.00 0.00 C ATOM 521 CD ARG A 38 -8.378 17.192 -8.344 1.00 0.00 C ATOM 522 NE ARG A 38 -9.024 18.061 -9.324 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.510 17.628 -10.482 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.424 16.345 -10.803 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.084 18.480 -11.322 1.00 0.00 N ATOM 0 H ARG A 38 -8.301 15.262 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.655 16.218 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.199 16.935 -5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.027 15.301 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.805 15.642 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.215 17.196 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.681 17.777 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.793 16.433 -8.863 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.106 19.054 -9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.984 15.687 -10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.798 16.016 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.152 19.468 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.457 18.147 -12.211 1.00 0.00 H new ATOM 539 N GLY A 39 -9.430 13.214 -4.773 1.00 0.00 N ATOM 540 CA GLY A 39 -9.716 11.808 -4.988 1.00 0.00 C ATOM 541 C GLY A 39 -8.741 10.900 -4.264 1.00 0.00 C ATOM 542 O GLY A 39 -7.545 11.186 -4.202 1.00 0.00 O ATOM 0 H GLY A 39 -8.653 13.401 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.729 11.591 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.683 11.593 -6.056 1.00 0.00 H new ATOM 546 N TYR A 40 -9.252 9.805 -3.714 1.00 0.00 N ATOM 547 CA TYR A 40 -8.419 8.854 -2.987 1.00 0.00 C ATOM 548 C TYR A 40 -8.068 7.655 -3.863 1.00 0.00 C ATOM 549 O TYR A 40 -8.825 7.286 -4.760 1.00 0.00 O ATOM 550 CB TYR A 40 -9.133 8.383 -1.720 1.00 0.00 C ATOM 551 CG TYR A 40 -9.715 9.510 -0.898 1.00 0.00 C ATOM 552 CD1 TYR A 40 -8.904 10.517 -0.389 1.00 0.00 C ATOM 553 CD2 TYR A 40 -11.078 9.569 -0.630 1.00 0.00 C ATOM 554 CE1 TYR A 40 -9.431 11.548 0.363 1.00 0.00 C ATOM 555 CE2 TYR A 40 -11.614 10.598 0.121 1.00 0.00 C ATOM 556 CZ TYR A 40 -10.787 11.585 0.615 1.00 0.00 C ATOM 557 OH TYR A 40 -11.316 12.611 1.363 1.00 0.00 O ATOM 0 H TYR A 40 -10.239 9.553 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.494 9.359 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.933 7.697 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.430 7.821 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.842 10.493 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.729 8.798 -1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.785 12.321 0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.675 10.629 0.320 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.042 12.266 1.924 1.00 0.00 H new ATOM 567 N ASN A 41 -6.915 7.052 -3.595 1.00 0.00 N ATOM 568 CA ASN A 41 -6.462 5.894 -4.358 1.00 0.00 C ATOM 569 C ASN A 41 -5.628 4.960 -3.486 1.00 0.00 C ATOM 570 O ASN A 41 -4.506 5.290 -3.103 1.00 0.00 O ATOM 571 CB ASN A 41 -5.645 6.344 -5.570 1.00 0.00 C ATOM 572 CG ASN A 41 -6.509 6.584 -6.793 1.00 0.00 C ATOM 573 OD1 ASN A 41 -6.806 5.659 -7.548 1.00 0.00 O ATOM 574 ND2 ASN A 41 -6.916 7.832 -6.994 1.00 0.00 N ATOM 0 H ASN A 41 -6.277 7.346 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.342 5.351 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.108 7.260 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.896 5.587 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.499 8.055 -7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.646 8.568 -6.342 1.00 0.00 H new ATOM 581 N TRP A 42 -6.185 3.795 -3.176 1.00 0.00 N ATOM 582 CA TRP A 42 -5.492 2.813 -2.350 1.00 0.00 C ATOM 583 C TRP A 42 -4.764 1.790 -3.215 1.00 0.00 C ATOM 584 O TRP A 42 -5.131 1.565 -4.369 1.00 0.00 O ATOM 585 CB TRP A 42 -6.483 2.104 -1.425 1.00 0.00 C ATOM 586 CG TRP A 42 -6.968 2.968 -0.300 1.00 0.00 C ATOM 587 CD1 TRP A 42 -8.005 3.856 -0.337 1.00 0.00 C ATOM 588 CD2 TRP A 42 -6.433 3.027 1.027 1.00 0.00 C ATOM 589 NE1 TRP A 42 -8.147 4.463 0.888 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.195 3.971 1.741 1.00 0.00 C ATOM 591 CE3 TRP A 42 -5.386 2.373 1.681 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -6.941 4.276 3.076 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.135 2.677 3.005 1.00 0.00 C ATOM 594 CH2 TRP A 42 -5.910 3.621 3.692 1.00 0.00 C ATOM 0 H TRP A 42 -7.114 3.507 -3.484 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.754 3.340 -1.745 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.339 1.768 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.010 1.213 -1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.622 4.052 -1.201 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.848 5.166 1.124 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.784 1.643 1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.537 5.004 3.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.327 2.178 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.689 3.835 4.727 1.00 0.00 H new ATOM 605 N TYR A 43 -3.732 1.173 -2.652 1.00 0.00 N ATOM 606 CA TYR A 43 -2.951 0.175 -3.373 1.00 0.00 C ATOM 607 C TYR A 43 -2.528 -0.960 -2.446 1.00 0.00 C ATOM 608 O TYR A 43 -2.786 -0.925 -1.243 1.00 0.00 O ATOM 609 CB TYR A 43 -1.716 0.821 -4.004 1.00 0.00 C ATOM 610 CG TYR A 43 -2.044 1.917 -4.992 1.00 0.00 C ATOM 611 CD1 TYR A 43 -2.324 3.208 -4.561 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.076 1.662 -6.358 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.625 4.213 -5.460 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.374 2.660 -7.264 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.648 3.934 -6.811 1.00 0.00 C ATOM 616 OH TYR A 43 -2.948 4.931 -7.711 1.00 0.00 O ATOM 0 H TYR A 43 -3.416 1.346 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.579 -0.240 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.088 1.232 -3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.132 0.052 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.306 3.430 -3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.864 0.666 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.841 5.211 -5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.393 2.445 -8.322 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.921 4.569 -8.621 1.00 0.00 H new ATOM 626 N LYS A 44 -1.874 -1.968 -3.015 1.00 0.00 N ATOM 627 CA LYS A 44 -1.412 -3.114 -2.242 1.00 0.00 C ATOM 628 C LYS A 44 -0.009 -3.531 -2.674 1.00 0.00 C ATOM 629 O LYS A 44 0.183 -4.054 -3.770 1.00 0.00 O ATOM 630 CB LYS A 44 -2.378 -4.289 -2.407 1.00 0.00 C ATOM 631 CG LYS A 44 -2.440 -5.201 -1.193 1.00 0.00 C ATOM 632 CD LYS A 44 -2.783 -6.628 -1.585 1.00 0.00 C ATOM 633 CE LYS A 44 -2.544 -7.594 -0.434 1.00 0.00 C ATOM 634 NZ LYS A 44 -3.753 -7.746 0.422 1.00 0.00 N ATOM 0 H LYS A 44 -1.652 -2.014 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.379 -2.823 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.376 -3.902 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.079 -4.875 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.481 -5.185 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.186 -4.826 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.827 -6.681 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.180 -6.926 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.255 -8.567 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.712 -7.237 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.596 -7.269 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.572 -7.320 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.936 -8.756 0.588 1.00 0.00 H new ATOM 648 N GLY A 45 0.967 -3.296 -1.802 1.00 0.00 N ATOM 649 CA GLY A 45 2.339 -3.655 -2.112 1.00 0.00 C ATOM 650 C GLY A 45 3.303 -2.506 -1.890 1.00 0.00 C ATOM 651 O GLY A 45 4.420 -2.517 -2.406 1.00 0.00 O ATOM 0 H GLY A 45 0.833 -2.864 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.639 -4.501 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.400 -3.981 -3.150 1.00 0.00 H new ATOM 655 N GLU A 46 2.869 -1.512 -1.121 1.00 0.00 N ATOM 656 CA GLU A 46 3.702 -0.350 -0.834 1.00 0.00 C ATOM 657 C GLU A 46 4.097 0.367 -2.122 1.00 0.00 C ATOM 658 O GLU A 46 5.208 0.883 -2.244 1.00 0.00 O ATOM 659 CB GLU A 46 4.957 -0.770 -0.066 1.00 0.00 C ATOM 660 CG GLU A 46 4.770 -0.790 1.441 1.00 0.00 C ATOM 661 CD GLU A 46 6.064 -0.546 2.193 1.00 0.00 C ATOM 662 OE1 GLU A 46 6.906 0.226 1.688 1.00 0.00 O ATOM 663 OE2 GLU A 46 6.235 -1.127 3.285 1.00 0.00 O ATOM 0 H GLU A 46 1.947 -1.488 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 46 3.122 0.337 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.261 -1.762 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.770 -0.087 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.041 -0.030 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.357 -1.754 1.739 1.00 0.00 H new ATOM 670 N THR A 47 3.179 0.394 -3.083 1.00 0.00 N ATOM 671 CA THR A 47 3.430 1.045 -4.363 1.00 0.00 C ATOM 672 C THR A 47 2.155 1.662 -4.925 1.00 0.00 C ATOM 673 O THR A 47 1.063 1.122 -4.752 1.00 0.00 O ATOM 674 CB THR A 47 4.006 0.055 -5.393 1.00 0.00 C ATOM 675 OG1 THR A 47 3.036 -0.953 -5.698 1.00 0.00 O ATOM 676 CG2 THR A 47 5.275 -0.597 -4.866 1.00 0.00 C ATOM 0 H THR A 47 2.254 -0.028 -2.999 1.00 0.00 H new ATOM 0 HA THR A 47 4.161 1.833 -4.180 1.00 0.00 H new ATOM 0 HB THR A 47 4.251 0.609 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.409 -1.578 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.663 -1.292 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.021 0.171 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.051 -1.138 -3.947 1.00 0.00 H new ATOM 684 N VAL A 48 2.301 2.798 -5.601 1.00 0.00 N ATOM 685 CA VAL A 48 1.160 3.488 -6.191 1.00 0.00 C ATOM 686 C VAL A 48 1.010 3.138 -7.667 1.00 0.00 C ATOM 687 O VAL A 48 0.969 4.022 -8.524 1.00 0.00 O ATOM 688 CB VAL A 48 1.294 5.016 -6.048 1.00 0.00 C ATOM 689 CG1 VAL A 48 0.085 5.717 -6.650 1.00 0.00 C ATOM 690 CG2 VAL A 48 1.470 5.401 -4.587 1.00 0.00 C ATOM 0 H VAL A 48 3.198 3.259 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 48 0.274 3.156 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 48 2.180 5.338 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.197 6.796 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.009 5.466 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.818 5.392 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.563 6.484 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.604 5.067 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.369 4.929 -4.192 1.00 0.00 H new ATOM 700 N ASP A 49 0.928 1.845 -7.957 1.00 0.00 N ATOM 701 CA ASP A 49 0.780 1.377 -9.331 1.00 0.00 C ATOM 702 C ASP A 49 -0.623 0.827 -9.569 1.00 0.00 C ATOM 703 O ASP A 49 -1.174 0.118 -8.727 1.00 0.00 O ATOM 704 CB ASP A 49 1.823 0.302 -9.641 1.00 0.00 C ATOM 705 CG ASP A 49 3.098 0.882 -10.220 1.00 0.00 C ATOM 706 OD1 ASP A 49 3.172 1.035 -11.457 1.00 0.00 O ATOM 707 OD2 ASP A 49 4.021 1.185 -9.436 1.00 0.00 O ATOM 0 H ASP A 49 0.961 1.101 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 49 0.936 2.226 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.058 -0.246 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.402 -0.416 -10.344 1.00 0.00 H new ATOM 712 N ALA A 50 -1.195 1.158 -10.722 1.00 0.00 N ATOM 713 CA ALA A 50 -2.532 0.697 -11.072 1.00 0.00 C ATOM 714 C ALA A 50 -2.610 -0.826 -11.052 1.00 0.00 C ATOM 715 O ALA A 50 -3.659 -1.400 -10.760 1.00 0.00 O ATOM 716 CB ALA A 50 -2.934 1.230 -12.439 1.00 0.00 C ATOM 0 H ALA A 50 -0.753 1.744 -11.430 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.228 1.081 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.935 0.877 -12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.927 2.320 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.228 0.875 -13.190 1.00 0.00 H new ATOM 722 N ASN A 51 -1.494 -1.475 -11.365 1.00 0.00 N ATOM 723 CA ASN A 51 -1.436 -2.932 -11.384 1.00 0.00 C ATOM 724 C ASN A 51 -1.841 -3.511 -10.032 1.00 0.00 C ATOM 725 O ASN A 51 -2.495 -4.552 -9.961 1.00 0.00 O ATOM 726 CB ASN A 51 -0.028 -3.403 -11.752 1.00 0.00 C ATOM 727 CG ASN A 51 0.276 -3.223 -13.226 1.00 0.00 C ATOM 728 OD1 ASN A 51 -0.616 -2.938 -14.025 1.00 0.00 O ATOM 729 ND2 ASN A 51 1.541 -3.391 -13.595 1.00 0.00 N ATOM 0 H ASN A 51 -0.617 -1.015 -11.609 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.139 -3.288 -12.137 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.703 -2.849 -11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.081 -4.455 -11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.805 -3.284 -14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.248 -3.627 -12.899 1.00 0.00 H new ATOM 736 N ARG A 52 -1.449 -2.828 -8.961 1.00 0.00 N ATOM 737 CA ARG A 52 -1.771 -3.274 -7.611 1.00 0.00 C ATOM 738 C ARG A 52 -2.775 -2.332 -6.952 1.00 0.00 C ATOM 739 O ARG A 52 -2.801 -2.193 -5.729 1.00 0.00 O ATOM 740 CB ARG A 52 -0.501 -3.357 -6.762 1.00 0.00 C ATOM 741 CG ARG A 52 0.629 -4.121 -7.431 1.00 0.00 C ATOM 742 CD ARG A 52 0.501 -5.619 -7.202 1.00 0.00 C ATOM 743 NE ARG A 52 1.802 -6.283 -7.181 1.00 0.00 N ATOM 744 CZ ARG A 52 1.954 -7.602 -7.193 1.00 0.00 C ATOM 745 NH1 ARG A 52 0.892 -8.395 -7.227 1.00 0.00 N ATOM 746 NH2 ARG A 52 3.171 -8.131 -7.172 1.00 0.00 N ATOM 0 H ARG A 52 -0.908 -1.964 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.220 -4.265 -7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.160 -2.347 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.740 -3.836 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.626 -3.914 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.586 -3.773 -7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.013 -5.799 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.116 -6.054 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 52 2.640 -5.701 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.045 -7.992 -7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.012 -9.408 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.990 -7.524 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.287 -9.144 -7.181 1.00 0.00 H new ATOM 760 N ARG A 53 -3.599 -1.687 -7.771 1.00 0.00 N ATOM 761 CA ARG A 53 -4.603 -0.757 -7.269 1.00 0.00 C ATOM 762 C ARG A 53 -5.791 -1.509 -6.675 1.00 0.00 C ATOM 763 O ARG A 53 -6.398 -2.353 -7.336 1.00 0.00 O ATOM 764 CB ARG A 53 -5.080 0.167 -8.390 1.00 0.00 C ATOM 765 CG ARG A 53 -6.305 0.989 -8.023 1.00 0.00 C ATOM 766 CD ARG A 53 -6.524 2.131 -9.003 1.00 0.00 C ATOM 767 NE ARG A 53 -6.857 1.648 -10.341 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.353 2.422 -11.299 1.00 0.00 C ATOM 769 NH1 ARG A 53 -7.572 3.709 -11.069 1.00 0.00 N ATOM 770 NH2 ARG A 53 -7.630 1.909 -12.491 1.00 0.00 N ATOM 0 H ARG A 53 -3.591 -1.791 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.145 -0.156 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.269 0.842 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.306 -0.432 -9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.185 0.346 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.187 1.390 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.327 2.772 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.624 2.744 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.700 0.662 -10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.359 4.107 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.953 4.301 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.462 0.919 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.011 2.504 -13.226 1.00 0.00 H new ATOM 784 N ILE A 54 -6.117 -1.197 -5.425 1.00 0.00 N ATOM 785 CA ILE A 54 -7.232 -1.843 -4.743 1.00 0.00 C ATOM 786 C ILE A 54 -8.547 -1.134 -5.048 1.00 0.00 C ATOM 787 O ILE A 54 -9.466 -1.726 -5.616 1.00 0.00 O ATOM 788 CB ILE A 54 -7.019 -1.871 -3.218 1.00 0.00 C ATOM 789 CG1 ILE A 54 -5.752 -2.658 -2.873 1.00 0.00 C ATOM 790 CG2 ILE A 54 -8.230 -2.477 -2.525 1.00 0.00 C ATOM 791 CD1 ILE A 54 -5.369 -2.575 -1.412 1.00 0.00 C ATOM 0 H ILE A 54 -5.625 -0.501 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.279 -2.867 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.897 -0.847 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.899 -3.704 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.926 -2.285 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.064 -2.490 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.114 -1.880 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.381 -3.496 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.463 -3.156 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.190 -1.534 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.178 -2.975 -0.801 1.00 0.00 H new ATOM 803 N ILE A 55 -8.630 0.137 -4.668 1.00 0.00 N ATOM 804 CA ILE A 55 -9.832 0.927 -4.904 1.00 0.00 C ATOM 805 C ILE A 55 -9.487 2.392 -5.150 1.00 0.00 C ATOM 806 O ILE A 55 -8.561 2.932 -4.548 1.00 0.00 O ATOM 807 CB ILE A 55 -10.809 0.834 -3.717 1.00 0.00 C ATOM 808 CG1 ILE A 55 -12.209 1.276 -4.145 1.00 0.00 C ATOM 809 CG2 ILE A 55 -10.312 1.680 -2.554 1.00 0.00 C ATOM 810 CD1 ILE A 55 -13.095 0.133 -4.588 1.00 0.00 C ATOM 0 H ILE A 55 -7.880 0.641 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.311 0.515 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.861 -0.204 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.687 1.795 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.121 1.994 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.013 1.604 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.333 1.322 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.234 2.721 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -14.072 0.521 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -12.639 -0.372 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -13.214 -0.574 -3.767 1.00 0.00 H new ATOM 822 N GLY A 56 -10.242 3.030 -6.040 1.00 0.00 N ATOM 823 CA GLY A 56 -10.002 4.428 -6.349 1.00 0.00 C ATOM 824 C GLY A 56 -11.285 5.228 -6.448 1.00 0.00 C ATOM 825 O GLY A 56 -12.150 4.928 -7.271 1.00 0.00 O ATOM 0 H GLY A 56 -11.015 2.604 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.365 4.863 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.459 4.501 -7.291 1.00 0.00 H new ATOM 829 N TYR A 57 -11.410 6.249 -5.607 1.00 0.00 N ATOM 830 CA TYR A 57 -12.599 7.093 -5.601 1.00 0.00 C ATOM 831 C TYR A 57 -12.235 8.548 -5.877 1.00 0.00 C ATOM 832 O TYR A 57 -11.208 9.043 -5.413 1.00 0.00 O ATOM 833 CB TYR A 57 -13.321 6.982 -4.257 1.00 0.00 C ATOM 834 CG TYR A 57 -14.404 8.019 -4.064 1.00 0.00 C ATOM 835 CD1 TYR A 57 -15.536 8.028 -4.871 1.00 0.00 C ATOM 836 CD2 TYR A 57 -14.296 8.990 -3.077 1.00 0.00 C ATOM 837 CE1 TYR A 57 -16.527 8.974 -4.699 1.00 0.00 C ATOM 838 CE2 TYR A 57 -15.283 9.939 -2.897 1.00 0.00 C ATOM 839 CZ TYR A 57 -16.397 9.927 -3.710 1.00 0.00 C ATOM 840 OH TYR A 57 -17.382 10.872 -3.535 1.00 0.00 O ATOM 0 H TYR A 57 -10.703 6.512 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 57 -13.264 6.747 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.762 5.989 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.591 7.077 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.642 7.283 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.425 9.003 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.399 8.968 -5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.183 10.686 -2.124 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.136 11.468 -2.797 1.00 0.00 H new ATOM 850 N VAL A 58 -13.087 9.230 -6.637 1.00 0.00 N ATOM 851 CA VAL A 58 -12.858 10.630 -6.975 1.00 0.00 C ATOM 852 C VAL A 58 -13.969 11.517 -6.424 1.00 0.00 C ATOM 853 O VAL A 58 -15.114 11.443 -6.869 1.00 0.00 O ATOM 854 CB VAL A 58 -12.764 10.831 -8.499 1.00 0.00 C ATOM 855 CG1 VAL A 58 -12.332 12.253 -8.825 1.00 0.00 C ATOM 856 CG2 VAL A 58 -11.805 9.821 -9.111 1.00 0.00 C ATOM 0 H VAL A 58 -13.942 8.836 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.910 10.915 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.752 10.669 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.271 12.376 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.060 12.956 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.355 12.447 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.751 9.977 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.814 9.950 -8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.162 8.811 -8.909 1.00 0.00 H new ATOM 866 N ILE A 59 -13.622 12.355 -5.453 1.00 0.00 N ATOM 867 CA ILE A 59 -14.589 13.258 -4.842 1.00 0.00 C ATOM 868 C ILE A 59 -15.086 14.293 -5.846 1.00 0.00 C ATOM 869 O ILE A 59 -16.233 14.736 -5.781 1.00 0.00 O ATOM 870 CB ILE A 59 -13.989 13.987 -3.626 1.00 0.00 C ATOM 871 CG1 ILE A 59 -13.409 12.977 -2.634 1.00 0.00 C ATOM 872 CG2 ILE A 59 -15.045 14.852 -2.952 1.00 0.00 C ATOM 873 CD1 ILE A 59 -12.238 13.513 -1.841 1.00 0.00 C ATOM 0 H ILE A 59 -12.678 12.427 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.427 12.645 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 59 -13.183 14.634 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -14.193 12.667 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -13.092 12.087 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.605 15.361 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.416 15.592 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -15.870 14.224 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -11.878 12.743 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.436 13.797 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -12.554 14.386 -1.270 1.00 0.00 H new ATOM 885 N SER A 60 -14.215 14.673 -6.776 1.00 0.00 N ATOM 886 CA SER A 60 -14.564 15.657 -7.794 1.00 0.00 C ATOM 887 C SER A 60 -15.841 15.253 -8.525 1.00 0.00 C ATOM 888 O SER A 60 -16.801 16.019 -8.589 1.00 0.00 O ATOM 889 CB SER A 60 -13.418 15.816 -8.794 1.00 0.00 C ATOM 890 OG SER A 60 -13.532 17.033 -9.511 1.00 0.00 O ATOM 0 H SER A 60 -13.263 14.314 -6.845 1.00 0.00 H new ATOM 0 HA SER A 60 -14.737 16.612 -7.297 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.465 15.789 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.420 14.978 -9.491 1.00 0.00 H new ATOM 0 HG SER A 60 -12.787 17.112 -10.142 1.00 0.00 H new ATOM 896 N ASN A 61 -15.842 14.043 -9.076 1.00 0.00 N ATOM 897 CA ASN A 61 -16.999 13.536 -9.804 1.00 0.00 C ATOM 898 C ASN A 61 -17.721 12.461 -8.997 1.00 0.00 C ATOM 899 O ASN A 61 -18.649 11.820 -9.490 1.00 0.00 O ATOM 900 CB ASN A 61 -16.568 12.970 -11.158 1.00 0.00 C ATOM 901 CG ASN A 61 -15.678 11.750 -11.018 1.00 0.00 C ATOM 902 OD1 ASN A 61 -15.683 11.080 -9.985 1.00 0.00 O ATOM 903 ND2 ASN A 61 -14.908 11.457 -12.059 1.00 0.00 N ATOM 0 H ASN A 61 -15.055 13.396 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 61 -17.687 14.366 -9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -17.453 12.706 -11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.038 13.740 -11.719 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.288 10.648 -12.023 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.937 12.041 -12.895 1.00 0.00 H new ATOM 910 N GLN A 62 -17.289 12.271 -7.755 1.00 0.00 N ATOM 911 CA GLN A 62 -17.894 11.274 -6.880 1.00 0.00 C ATOM 912 C GLN A 62 -18.064 9.944 -7.607 1.00 0.00 C ATOM 913 O GLN A 62 -19.147 9.359 -7.604 1.00 0.00 O ATOM 914 CB GLN A 62 -19.249 11.767 -6.369 1.00 0.00 C ATOM 915 CG GLN A 62 -19.144 12.917 -5.381 1.00 0.00 C ATOM 916 CD GLN A 62 -20.406 13.097 -4.560 1.00 0.00 C ATOM 917 OE1 GLN A 62 -20.686 12.314 -3.652 1.00 0.00 O ATOM 918 NE2 GLN A 62 -21.175 14.133 -4.875 1.00 0.00 N ATOM 0 H GLN A 62 -16.522 12.794 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 62 -17.228 11.121 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -19.855 12.082 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -19.773 10.937 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.302 12.741 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.933 13.839 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.904 14.757 -5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.036 14.305 -4.357 1.00 0.00 H new ATOM 927 N GLN A 63 -16.988 9.472 -8.228 1.00 0.00 N ATOM 928 CA GLN A 63 -17.020 8.212 -8.960 1.00 0.00 C ATOM 929 C GLN A 63 -16.139 7.167 -8.283 1.00 0.00 C ATOM 930 O GLN A 63 -15.070 7.485 -7.762 1.00 0.00 O ATOM 931 CB GLN A 63 -16.562 8.424 -10.404 1.00 0.00 C ATOM 932 CG GLN A 63 -16.804 7.222 -11.302 1.00 0.00 C ATOM 933 CD GLN A 63 -16.176 7.382 -12.673 1.00 0.00 C ATOM 934 OE1 GLN A 63 -16.650 8.163 -13.499 1.00 0.00 O ATOM 935 NE2 GLN A 63 -15.103 6.641 -12.923 1.00 0.00 N ATOM 0 H GLN A 63 -16.083 9.943 -8.239 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.048 7.849 -8.962 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.083 9.287 -10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.498 8.661 -10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.401 6.329 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.877 7.067 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.744 6.007 -12.210 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.638 6.706 -13.828 1.00 0.00 H new ATOM 944 N ILE A 64 -16.596 5.919 -8.294 1.00 0.00 N ATOM 945 CA ILE A 64 -15.849 4.827 -7.682 1.00 0.00 C ATOM 946 C ILE A 64 -15.370 3.831 -8.733 1.00 0.00 C ATOM 947 O ILE A 64 -16.169 3.280 -9.492 1.00 0.00 O ATOM 948 CB ILE A 64 -16.697 4.083 -6.634 1.00 0.00 C ATOM 949 CG1 ILE A 64 -17.115 5.037 -5.514 1.00 0.00 C ATOM 950 CG2 ILE A 64 -15.923 2.901 -6.069 1.00 0.00 C ATOM 951 CD1 ILE A 64 -18.131 4.444 -4.562 1.00 0.00 C ATOM 0 H ILE A 64 -17.480 5.639 -8.720 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.986 5.273 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.597 3.705 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.230 5.332 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.529 5.944 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -16.535 2.385 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.671 2.212 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.008 3.258 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.381 5.176 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -19.032 4.174 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.713 3.554 -4.092 1.00 0.00 H new ATOM 963 N THR A 65 -14.061 3.602 -8.771 1.00 0.00 N ATOM 964 CA THR A 65 -13.476 2.671 -9.727 1.00 0.00 C ATOM 965 C THR A 65 -12.564 1.668 -9.031 1.00 0.00 C ATOM 966 O THR A 65 -11.407 1.954 -8.721 1.00 0.00 O ATOM 967 CB THR A 65 -12.671 3.412 -10.812 1.00 0.00 C ATOM 968 OG1 THR A 65 -13.459 4.470 -11.369 1.00 0.00 O ATOM 969 CG2 THR A 65 -12.242 2.457 -11.915 1.00 0.00 C ATOM 0 H THR A 65 -13.386 4.049 -8.150 1.00 0.00 H new ATOM 0 HA THR A 65 -14.304 2.140 -10.197 1.00 0.00 H new ATOM 0 HB THR A 65 -11.777 3.830 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.940 4.937 -12.057 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.675 3.003 -12.669 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.618 1.669 -11.492 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.125 2.013 -12.375 1.00 0.00 H new ATOM 977 N PRO A 66 -13.094 0.462 -8.778 1.00 0.00 N ATOM 978 CA PRO A 66 -12.343 -0.610 -8.116 1.00 0.00 C ATOM 979 C PRO A 66 -11.236 -1.173 -9.000 1.00 0.00 C ATOM 980 O PRO A 66 -11.474 -1.551 -10.146 1.00 0.00 O ATOM 981 CB PRO A 66 -13.409 -1.676 -7.849 1.00 0.00 C ATOM 982 CG PRO A 66 -14.454 -1.434 -8.882 1.00 0.00 C ATOM 983 CD PRO A 66 -14.466 0.051 -9.120 1.00 0.00 C ATOM 0 HA PRO A 66 -11.837 -0.259 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.994 -2.680 -7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.818 -1.583 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.227 -1.975 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.429 -1.782 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.711 0.290 -10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.204 0.552 -8.494 1.00 0.00 H new ATOM 991 N GLY A 67 -10.022 -1.226 -8.458 1.00 0.00 N ATOM 992 CA GLY A 67 -8.896 -1.746 -9.212 1.00 0.00 C ATOM 993 C GLY A 67 -8.947 -3.253 -9.367 1.00 0.00 C ATOM 994 O GLY A 67 -9.926 -3.903 -9.000 1.00 0.00 O ATOM 0 H GLY A 67 -9.799 -0.918 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.879 -1.283 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.968 -1.467 -8.712 1.00 0.00 H new ATOM 998 N PRO A 68 -7.873 -3.831 -9.924 1.00 0.00 N ATOM 999 CA PRO A 68 -7.775 -5.277 -10.140 1.00 0.00 C ATOM 1000 C PRO A 68 -7.636 -6.051 -8.834 1.00 0.00 C ATOM 1001 O PRO A 68 -8.077 -7.195 -8.729 1.00 0.00 O ATOM 1002 CB PRO A 68 -6.508 -5.425 -10.987 1.00 0.00 C ATOM 1003 CG PRO A 68 -5.690 -4.225 -10.656 1.00 0.00 C ATOM 1004 CD PRO A 68 -6.670 -3.117 -10.385 1.00 0.00 C ATOM 0 HA PRO A 68 -8.670 -5.679 -10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.976 -6.346 -10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.745 -5.462 -12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.060 -4.410 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.026 -3.966 -11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.297 -2.427 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.870 -2.529 -11.281 1.00 0.00 H new ATOM 1012 N ALA A 69 -7.020 -5.419 -7.840 1.00 0.00 N ATOM 1013 CA ALA A 69 -6.825 -6.047 -6.539 1.00 0.00 C ATOM 1014 C ALA A 69 -8.036 -5.831 -5.638 1.00 0.00 C ATOM 1015 O ALA A 69 -7.911 -5.784 -4.414 1.00 0.00 O ATOM 1016 CB ALA A 69 -5.567 -5.507 -5.875 1.00 0.00 C ATOM 0 H ALA A 69 -6.647 -4.472 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.708 -7.119 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.434 -5.985 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.703 -5.719 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.661 -4.430 -5.739 1.00 0.00 H new ATOM 1022 N TYR A 70 -9.207 -5.699 -6.251 1.00 0.00 N ATOM 1023 CA TYR A 70 -10.441 -5.484 -5.503 1.00 0.00 C ATOM 1024 C TYR A 70 -11.232 -6.782 -5.374 1.00 0.00 C ATOM 1025 O TYR A 70 -11.658 -7.365 -6.371 1.00 0.00 O ATOM 1026 CB TYR A 70 -11.297 -4.418 -6.188 1.00 0.00 C ATOM 1027 CG TYR A 70 -12.479 -3.967 -5.359 1.00 0.00 C ATOM 1028 CD1 TYR A 70 -12.296 -3.376 -4.115 1.00 0.00 C ATOM 1029 CD2 TYR A 70 -13.779 -4.132 -5.821 1.00 0.00 C ATOM 1030 CE1 TYR A 70 -13.373 -2.964 -3.355 1.00 0.00 C ATOM 1031 CE2 TYR A 70 -14.862 -3.721 -5.069 1.00 0.00 C ATOM 1032 CZ TYR A 70 -14.654 -3.138 -3.836 1.00 0.00 C ATOM 1033 OH TYR A 70 -15.730 -2.727 -3.082 1.00 0.00 O ATOM 0 H TYR A 70 -9.328 -5.737 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.176 -5.140 -4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.673 -3.554 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.659 -4.810 -7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.294 -3.236 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.945 -4.590 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.213 -2.508 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.866 -3.855 -5.444 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.419 -2.434 -2.200 1.00 0.00 H new ATOM 1043 N SER A 71 -11.425 -7.229 -4.137 1.00 0.00 N ATOM 1044 CA SER A 71 -12.162 -8.460 -3.876 1.00 0.00 C ATOM 1045 C SER A 71 -13.610 -8.157 -3.501 1.00 0.00 C ATOM 1046 O SER A 71 -14.380 -9.059 -3.175 1.00 0.00 O ATOM 1047 CB SER A 71 -11.489 -9.254 -2.755 1.00 0.00 C ATOM 1048 OG SER A 71 -10.950 -8.390 -1.770 1.00 0.00 O ATOM 0 H SER A 71 -11.081 -6.757 -3.300 1.00 0.00 H new ATOM 0 HA SER A 71 -12.158 -9.057 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.214 -9.926 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.696 -9.876 -3.171 1.00 0.00 H new ATOM 0 HG SER A 71 -10.527 -8.922 -1.064 1.00 0.00 H new ATOM 1054 N ASN A 72 -13.972 -6.879 -3.550 1.00 0.00 N ATOM 1055 CA ASN A 72 -15.326 -6.455 -3.215 1.00 0.00 C ATOM 1056 C ASN A 72 -15.576 -6.567 -1.714 1.00 0.00 C ATOM 1057 O ASN A 72 -16.703 -6.803 -1.278 1.00 0.00 O ATOM 1058 CB ASN A 72 -16.350 -7.297 -3.978 1.00 0.00 C ATOM 1059 CG ASN A 72 -17.696 -6.608 -4.094 1.00 0.00 C ATOM 1060 OD1 ASN A 72 -17.838 -5.437 -3.742 1.00 0.00 O ATOM 1061 ND2 ASN A 72 -18.692 -7.334 -4.588 1.00 0.00 N ATOM 0 H ASN A 72 -13.346 -6.119 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.435 -5.410 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.968 -7.512 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.478 -8.254 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.621 -6.924 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.528 -8.301 -4.867 1.00 0.00 H new ATOM 1068 N ARG A 73 -14.518 -6.395 -0.929 1.00 0.00 N ATOM 1069 CA ARG A 73 -14.622 -6.478 0.523 1.00 0.00 C ATOM 1070 C ARG A 73 -14.161 -5.178 1.176 1.00 0.00 C ATOM 1071 O ARG A 73 -14.377 -4.961 2.367 1.00 0.00 O ATOM 1072 CB ARG A 73 -13.790 -7.648 1.049 1.00 0.00 C ATOM 1073 CG ARG A 73 -14.245 -9.002 0.529 1.00 0.00 C ATOM 1074 CD ARG A 73 -13.619 -10.141 1.318 1.00 0.00 C ATOM 1075 NE ARG A 73 -12.162 -10.048 1.352 1.00 0.00 N ATOM 1076 CZ ARG A 73 -11.390 -10.863 2.062 1.00 0.00 C ATOM 1077 NH1 ARG A 73 -11.933 -11.827 2.793 1.00 0.00 N ATOM 1078 NH2 ARG A 73 -10.072 -10.715 2.042 1.00 0.00 N ATOM 0 H ARG A 73 -13.579 -6.197 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.669 -6.642 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.747 -7.494 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.834 -7.653 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.331 -9.070 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.978 -9.097 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.007 -10.132 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.911 -11.093 0.874 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.713 -9.317 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.946 -11.944 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.338 -12.451 3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.650 -9.975 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.480 -11.341 2.588 1.00 0.00 H new ATOM 1092 N GLU A 74 -13.525 -4.318 0.386 1.00 0.00 N ATOM 1093 CA GLU A 74 -13.033 -3.041 0.889 1.00 0.00 C ATOM 1094 C GLU A 74 -13.947 -1.898 0.458 1.00 0.00 C ATOM 1095 O GLU A 74 -14.550 -1.939 -0.615 1.00 0.00 O ATOM 1096 CB GLU A 74 -11.609 -2.785 0.389 1.00 0.00 C ATOM 1097 CG GLU A 74 -10.554 -3.609 1.109 1.00 0.00 C ATOM 1098 CD GLU A 74 -9.350 -3.906 0.237 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -9.528 -4.537 -0.825 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -8.230 -3.506 0.617 1.00 0.00 O ATOM 0 H GLU A 74 -13.339 -4.482 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.026 -3.087 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.563 -3.003 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.376 -1.727 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.228 -3.075 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.997 -4.548 1.443 1.00 0.00 H new ATOM 1107 N THR A 75 -14.046 -0.876 1.303 1.00 0.00 N ATOM 1108 CA THR A 75 -14.888 0.278 1.012 1.00 0.00 C ATOM 1109 C THR A 75 -14.197 1.577 1.411 1.00 0.00 C ATOM 1110 O THR A 75 -13.785 1.744 2.560 1.00 0.00 O ATOM 1111 CB THR A 75 -16.241 0.184 1.741 1.00 0.00 C ATOM 1112 OG1 THR A 75 -16.949 -0.985 1.312 1.00 0.00 O ATOM 1113 CG2 THR A 75 -17.086 1.421 1.475 1.00 0.00 C ATOM 0 H THR A 75 -13.553 -0.824 2.195 1.00 0.00 H new ATOM 0 HA THR A 75 -15.063 0.279 -0.064 1.00 0.00 H new ATOM 0 HB THR A 75 -16.048 0.119 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.808 -1.038 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.037 1.332 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.557 2.306 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.270 1.513 0.405 1.00 0.00 H new ATOM 1121 N ILE A 76 -14.075 2.494 0.458 1.00 0.00 N ATOM 1122 CA ILE A 76 -13.435 3.779 0.712 1.00 0.00 C ATOM 1123 C ILE A 76 -14.289 4.646 1.631 1.00 0.00 C ATOM 1124 O ILE A 76 -15.461 4.350 1.869 1.00 0.00 O ATOM 1125 CB ILE A 76 -13.171 4.545 -0.598 1.00 0.00 C ATOM 1126 CG1 ILE A 76 -13.041 3.568 -1.768 1.00 0.00 C ATOM 1127 CG2 ILE A 76 -11.916 5.396 -0.469 1.00 0.00 C ATOM 1128 CD1 ILE A 76 -14.346 3.313 -2.489 1.00 0.00 C ATOM 0 H ILE A 76 -14.411 2.371 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.483 3.567 1.198 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.016 5.205 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.313 3.959 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.648 2.621 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.742 5.932 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.044 6.113 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.062 4.754 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.179 2.611 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.071 2.892 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.730 4.251 -2.889 1.00 0.00 H new ATOM 1140 N TYR A 77 -13.696 5.718 2.143 1.00 0.00 N ATOM 1141 CA TYR A 77 -14.402 6.628 3.037 1.00 0.00 C ATOM 1142 C TYR A 77 -14.180 8.080 2.623 1.00 0.00 C ATOM 1143 O TYR A 77 -13.241 8.409 1.898 1.00 0.00 O ATOM 1144 CB TYR A 77 -13.939 6.421 4.480 1.00 0.00 C ATOM 1145 CG TYR A 77 -14.722 5.362 5.222 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -14.571 4.015 4.914 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -15.612 5.707 6.231 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -15.286 3.044 5.588 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -16.329 4.743 6.912 1.00 0.00 C ATOM 1150 CZ TYR A 77 -16.163 3.413 6.587 1.00 0.00 C ATOM 1151 OH TYR A 77 -16.875 2.448 7.262 1.00 0.00 O ATOM 0 H TYR A 77 -12.728 5.978 1.954 1.00 0.00 H new ATOM 0 HA TYR A 77 -15.468 6.409 2.970 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -12.884 6.146 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -14.021 7.365 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.883 3.723 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.746 6.748 6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.159 2.002 5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -17.016 5.029 7.695 1.00 0.00 H new ATOM 0 HH TYR A 77 -17.447 2.874 7.935 1.00 0.00 H new ATOM 1161 N PRO A 78 -15.066 8.970 3.094 1.00 0.00 N ATOM 1162 CA PRO A 78 -14.988 10.402 2.787 1.00 0.00 C ATOM 1163 C PRO A 78 -13.801 11.076 3.466 1.00 0.00 C ATOM 1164 O PRO A 78 -13.606 12.284 3.339 1.00 0.00 O ATOM 1165 CB PRO A 78 -16.304 10.954 3.340 1.00 0.00 C ATOM 1166 CG PRO A 78 -16.696 9.998 4.413 1.00 0.00 C ATOM 1167 CD PRO A 78 -16.210 8.649 3.963 1.00 0.00 C ATOM 0 HA PRO A 78 -14.847 10.584 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.175 11.962 3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -17.067 11.011 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.247 10.276 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -17.776 9.995 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.911 8.028 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.984 8.103 3.423 1.00 0.00 H new ATOM 1175 N ASN A 79 -13.010 10.288 4.186 1.00 0.00 N ATOM 1176 CA ASN A 79 -11.841 10.810 4.885 1.00 0.00 C ATOM 1177 C ASN A 79 -10.565 10.140 4.385 1.00 0.00 C ATOM 1178 O ASN A 79 -9.524 10.199 5.039 1.00 0.00 O ATOM 1179 CB ASN A 79 -11.985 10.597 6.393 1.00 0.00 C ATOM 1180 CG ASN A 79 -12.930 11.598 7.030 1.00 0.00 C ATOM 1181 OD1 ASN A 79 -12.542 12.725 7.337 1.00 0.00 O ATOM 1182 ND2 ASN A 79 -14.177 11.189 7.233 1.00 0.00 N ATOM 0 H ASN A 79 -13.157 9.285 4.301 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.774 11.879 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.349 9.587 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.005 10.676 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.857 11.818 7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.455 10.246 6.963 1.00 0.00 H new ATOM 1189 N ALA A 80 -10.653 9.503 3.222 1.00 0.00 N ATOM 1190 CA ALA A 80 -9.505 8.825 2.633 1.00 0.00 C ATOM 1191 C ALA A 80 -9.161 7.557 3.407 1.00 0.00 C ATOM 1192 O ALA A 80 -8.005 7.136 3.445 1.00 0.00 O ATOM 1193 CB ALA A 80 -8.306 9.760 2.587 1.00 0.00 C ATOM 0 H ALA A 80 -11.508 9.442 2.669 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.766 8.538 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.456 9.240 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.550 10.635 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.052 10.076 3.599 1.00 0.00 H new ATOM 1199 N SER A 81 -10.172 6.952 4.022 1.00 0.00 N ATOM 1200 CA SER A 81 -9.975 5.733 4.799 1.00 0.00 C ATOM 1201 C SER A 81 -10.538 4.522 4.062 1.00 0.00 C ATOM 1202 O SER A 81 -11.443 4.649 3.236 1.00 0.00 O ATOM 1203 CB SER A 81 -10.640 5.865 6.170 1.00 0.00 C ATOM 1204 OG SER A 81 -10.288 7.088 6.793 1.00 0.00 O ATOM 0 H SER A 81 -11.136 7.286 3.998 1.00 0.00 H new ATOM 0 HA SER A 81 -8.903 5.587 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.723 5.808 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.341 5.031 6.805 1.00 0.00 H new ATOM 0 HG SER A 81 -11.073 7.464 7.243 1.00 0.00 H new ATOM 1210 N LEU A 82 -9.997 3.348 4.366 1.00 0.00 N ATOM 1211 CA LEU A 82 -10.444 2.112 3.734 1.00 0.00 C ATOM 1212 C LEU A 82 -10.818 1.068 4.782 1.00 0.00 C ATOM 1213 O LEU A 82 -10.002 0.704 5.630 1.00 0.00 O ATOM 1214 CB LEU A 82 -9.351 1.561 2.816 1.00 0.00 C ATOM 1215 CG LEU A 82 -9.716 0.311 2.014 1.00 0.00 C ATOM 1216 CD1 LEU A 82 -10.419 0.694 0.720 1.00 0.00 C ATOM 1217 CD2 LEU A 82 -8.473 -0.517 1.723 1.00 0.00 C ATOM 0 H LEU A 82 -9.247 3.226 5.047 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.330 2.337 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.062 2.346 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.474 1.336 3.423 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.400 -0.294 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.671 -0.208 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.331 1.245 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.759 1.320 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.751 -1.403 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.765 0.079 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.011 -0.822 2.662 1.00 0.00 H new ATOM 1229 N LEU A 83 -12.055 0.589 4.716 1.00 0.00 N ATOM 1230 CA LEU A 83 -12.537 -0.416 5.658 1.00 0.00 C ATOM 1231 C LEU A 83 -12.339 -1.822 5.103 1.00 0.00 C ATOM 1232 O LEU A 83 -12.986 -2.214 4.132 1.00 0.00 O ATOM 1233 CB LEU A 83 -14.016 -0.182 5.970 1.00 0.00 C ATOM 1234 CG LEU A 83 -14.728 -1.305 6.725 1.00 0.00 C ATOM 1235 CD1 LEU A 83 -14.339 -1.290 8.195 1.00 0.00 C ATOM 1236 CD2 LEU A 83 -16.237 -1.180 6.569 1.00 0.00 C ATOM 0 H LEU A 83 -12.742 0.880 4.021 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.959 -0.324 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.103 0.734 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.542 -0.012 5.031 1.00 0.00 H new ATOM 0 HG LEU A 83 -14.417 -2.258 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.855 -2.096 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.262 -1.429 8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.620 -0.334 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.727 -1.988 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.566 -0.221 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.500 -1.242 5.513 1.00 0.00 H new ATOM 1248 N MET A 84 -11.441 -2.578 5.727 1.00 0.00 N ATOM 1249 CA MET A 84 -11.160 -3.943 5.296 1.00 0.00 C ATOM 1250 C MET A 84 -12.055 -4.938 6.027 1.00 0.00 C ATOM 1251 O MET A 84 -11.991 -5.063 7.250 1.00 0.00 O ATOM 1252 CB MET A 84 -9.690 -4.286 5.542 1.00 0.00 C ATOM 1253 CG MET A 84 -9.138 -5.325 4.580 1.00 0.00 C ATOM 1254 SD MET A 84 -7.341 -5.268 4.451 1.00 0.00 S ATOM 1255 CE MET A 84 -7.100 -3.620 3.792 1.00 0.00 C ATOM 0 H MET A 84 -10.896 -2.269 6.532 1.00 0.00 H new ATOM 0 HA MET A 84 -11.367 -4.010 4.228 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.095 -3.376 5.462 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.577 -4.652 6.563 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.443 -6.318 4.910 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.574 -5.169 3.593 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.441 -3.668 2.925 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.062 -3.203 3.494 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.650 -2.985 4.555 1.00 0.00 H new ATOM 1265 N ARG A 85 -12.890 -5.644 5.271 1.00 0.00 N ATOM 1266 CA ARG A 85 -13.799 -6.627 5.848 1.00 0.00 C ATOM 1267 C ARG A 85 -13.280 -8.044 5.624 1.00 0.00 C ATOM 1268 O ARG A 85 -12.570 -8.310 4.655 1.00 0.00 O ATOM 1269 CB ARG A 85 -15.194 -6.481 5.239 1.00 0.00 C ATOM 1270 CG ARG A 85 -15.930 -5.232 5.694 1.00 0.00 C ATOM 1271 CD ARG A 85 -17.428 -5.350 5.460 1.00 0.00 C ATOM 1272 NE ARG A 85 -18.078 -6.172 6.478 1.00 0.00 N ATOM 1273 CZ ARG A 85 -19.386 -6.158 6.708 1.00 0.00 C ATOM 1274 NH1 ARG A 85 -20.179 -5.370 5.997 1.00 0.00 N ATOM 1275 NH2 ARG A 85 -19.902 -6.935 7.652 1.00 0.00 N ATOM 0 H ARG A 85 -12.956 -5.553 4.257 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.858 -6.446 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.107 -6.466 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.788 -7.357 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.739 -5.062 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.544 -4.365 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.874 -4.355 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.608 -5.782 4.476 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.496 -6.790 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -19.785 -4.772 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -21.183 -5.362 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.294 -7.543 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.907 -6.924 7.829 1.00 0.00 H new ATOM 1289 N ASN A 86 -13.640 -8.950 6.527 1.00 0.00 N ATOM 1290 CA ASN A 86 -13.210 -10.340 6.429 1.00 0.00 C ATOM 1291 C ASN A 86 -11.701 -10.430 6.225 1.00 0.00 C ATOM 1292 O ASN A 86 -11.227 -11.071 5.287 1.00 0.00 O ATOM 1293 CB ASN A 86 -13.934 -11.040 5.277 1.00 0.00 C ATOM 1294 CG ASN A 86 -15.437 -11.076 5.476 1.00 0.00 C ATOM 1295 OD1 ASN A 86 -16.124 -10.074 5.281 1.00 0.00 O ATOM 1296 ND2 ASN A 86 -15.954 -12.236 5.865 1.00 0.00 N ATOM 0 H ASN A 86 -14.228 -8.747 7.335 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.463 -10.839 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.706 -10.527 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.558 -12.059 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.959 -12.322 6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.346 -13.041 6.015 1.00 0.00 H new ATOM 1303 N VAL A 87 -10.950 -9.782 7.110 1.00 0.00 N ATOM 1304 CA VAL A 87 -9.494 -9.790 7.029 1.00 0.00 C ATOM 1305 C VAL A 87 -8.940 -11.196 7.227 1.00 0.00 C ATOM 1306 O VAL A 87 -9.600 -12.060 7.805 1.00 0.00 O ATOM 1307 CB VAL A 87 -8.869 -8.850 8.077 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -9.420 -7.441 7.927 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -9.114 -9.381 9.481 1.00 0.00 C ATOM 0 H VAL A 87 -11.326 -9.245 7.891 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.230 -9.437 6.032 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.793 -8.812 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.967 -6.791 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.188 -7.064 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.501 -7.456 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.666 -8.705 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.187 -9.450 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.665 -10.369 9.580 1.00 0.00 H new ATOM 1319 N THR A 88 -7.721 -11.420 6.744 1.00 0.00 N ATOM 1320 CA THR A 88 -7.077 -12.721 6.868 1.00 0.00 C ATOM 1321 C THR A 88 -5.629 -12.577 7.322 1.00 0.00 C ATOM 1322 O THR A 88 -5.049 -11.494 7.242 1.00 0.00 O ATOM 1323 CB THR A 88 -7.111 -13.493 5.536 1.00 0.00 C ATOM 1324 OG1 THR A 88 -6.700 -12.638 4.463 1.00 0.00 O ATOM 1325 CG2 THR A 88 -8.507 -14.030 5.257 1.00 0.00 C ATOM 0 H THR A 88 -7.161 -10.716 6.263 1.00 0.00 H new ATOM 0 HA THR A 88 -7.636 -13.280 7.618 1.00 0.00 H new ATOM 0 HB THR A 88 -6.423 -14.335 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.124 -11.760 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.506 -14.571 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.805 -14.704 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.211 -13.200 5.199 1.00 0.00 H new ATOM 1333 N ARG A 89 -5.051 -13.675 7.798 1.00 0.00 N ATOM 1334 CA ARG A 89 -3.670 -13.670 8.265 1.00 0.00 C ATOM 1335 C ARG A 89 -2.715 -13.297 7.135 1.00 0.00 C ATOM 1336 O ARG A 89 -1.656 -12.717 7.370 1.00 0.00 O ATOM 1337 CB ARG A 89 -3.296 -15.041 8.832 1.00 0.00 C ATOM 1338 CG ARG A 89 -3.225 -16.136 7.779 1.00 0.00 C ATOM 1339 CD ARG A 89 -4.567 -16.828 7.603 1.00 0.00 C ATOM 1340 NE ARG A 89 -4.434 -18.117 6.929 1.00 0.00 N ATOM 1341 CZ ARG A 89 -4.106 -19.242 7.553 1.00 0.00 C ATOM 1342 NH1 ARG A 89 -3.879 -19.238 8.860 1.00 0.00 N ATOM 1343 NH2 ARG A 89 -4.005 -20.376 6.871 1.00 0.00 N ATOM 0 H ARG A 89 -5.518 -14.579 7.870 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.582 -12.922 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.331 -14.967 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.027 -15.324 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.908 -15.708 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.471 -16.869 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.030 -16.975 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.234 -16.185 7.028 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.602 -18.155 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.956 -18.369 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.627 -20.104 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.179 -20.384 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.753 -21.240 7.352 1.00 0.00 H new ATOM 1357 N ASN A 90 -3.098 -13.636 5.908 1.00 0.00 N ATOM 1358 CA ASN A 90 -2.275 -13.337 4.741 1.00 0.00 C ATOM 1359 C ASN A 90 -2.291 -11.843 4.432 1.00 0.00 C ATOM 1360 O ASN A 90 -1.257 -11.252 4.122 1.00 0.00 O ATOM 1361 CB ASN A 90 -2.769 -14.126 3.527 1.00 0.00 C ATOM 1362 CG ASN A 90 -4.248 -13.918 3.266 1.00 0.00 C ATOM 1363 OD1 ASN A 90 -5.076 -14.763 3.607 1.00 0.00 O ATOM 1364 ND2 ASN A 90 -4.588 -12.788 2.657 1.00 0.00 N ATOM 0 H ASN A 90 -3.972 -14.117 5.696 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.250 -13.632 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.202 -13.825 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.576 -15.187 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.568 -12.593 2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.869 -12.115 2.392 1.00 0.00 H new ATOM 1371 N ASP A 91 -3.471 -11.240 4.519 1.00 0.00 N ATOM 1372 CA ASP A 91 -3.623 -9.814 4.250 1.00 0.00 C ATOM 1373 C ASP A 91 -2.487 -9.018 4.885 1.00 0.00 C ATOM 1374 O ASP A 91 -2.048 -8.002 4.344 1.00 0.00 O ATOM 1375 CB ASP A 91 -4.969 -9.315 4.776 1.00 0.00 C ATOM 1376 CG ASP A 91 -6.109 -9.606 3.820 1.00 0.00 C ATOM 1377 OD1 ASP A 91 -5.910 -9.450 2.597 1.00 0.00 O ATOM 1378 OD2 ASP A 91 -7.199 -9.988 4.294 1.00 0.00 O ATOM 0 H ASP A 91 -4.337 -11.716 4.774 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.587 -9.666 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.176 -9.784 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.911 -8.241 4.952 1.00 0.00 H new ATOM 1383 N THR A 92 -2.015 -9.485 6.037 1.00 0.00 N ATOM 1384 CA THR A 92 -0.933 -8.816 6.747 1.00 0.00 C ATOM 1385 C THR A 92 0.190 -8.422 5.793 1.00 0.00 C ATOM 1386 O THR A 92 0.773 -9.271 5.121 1.00 0.00 O ATOM 1387 CB THR A 92 -0.355 -9.709 7.861 1.00 0.00 C ATOM 1388 OG1 THR A 92 -1.416 -10.369 8.560 1.00 0.00 O ATOM 1389 CG2 THR A 92 0.470 -8.888 8.840 1.00 0.00 C ATOM 0 H THR A 92 -2.366 -10.325 6.498 1.00 0.00 H new ATOM 0 HA THR A 92 -1.357 -7.918 7.195 1.00 0.00 H new ATOM 0 HB THR A 92 0.294 -10.453 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.543 -11.267 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.868 -9.540 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.294 -8.411 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.160 -8.124 9.295 1.00 0.00 H new ATOM 1397 N GLY A 93 0.488 -7.127 5.741 1.00 0.00 N ATOM 1398 CA GLY A 93 1.541 -6.644 4.866 1.00 0.00 C ATOM 1399 C GLY A 93 1.664 -5.134 4.887 1.00 0.00 C ATOM 1400 O GLY A 93 2.084 -4.552 5.887 1.00 0.00 O ATOM 0 H GLY A 93 0.020 -6.405 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.491 -7.087 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.343 -6.975 3.847 1.00 0.00 H new ATOM 1404 N SER A 94 1.298 -4.496 3.779 1.00 0.00 N ATOM 1405 CA SER A 94 1.375 -3.044 3.672 1.00 0.00 C ATOM 1406 C SER A 94 0.400 -2.525 2.620 1.00 0.00 C ATOM 1407 O SER A 94 0.183 -3.163 1.589 1.00 0.00 O ATOM 1408 CB SER A 94 2.800 -2.612 3.321 1.00 0.00 C ATOM 1409 OG SER A 94 3.659 -2.732 4.441 1.00 0.00 O ATOM 0 H SER A 94 0.945 -4.962 2.943 1.00 0.00 H new ATOM 0 HA SER A 94 1.102 -2.618 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.178 -3.224 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.795 -1.580 2.972 1.00 0.00 H new ATOM 0 HG SER A 94 3.211 -3.248 5.143 1.00 0.00 H new ATOM 1415 N TYR A 95 -0.186 -1.363 2.887 1.00 0.00 N ATOM 1416 CA TYR A 95 -1.140 -0.758 1.965 1.00 0.00 C ATOM 1417 C TYR A 95 -0.924 0.749 1.869 1.00 0.00 C ATOM 1418 O TYR A 95 -1.175 1.487 2.823 1.00 0.00 O ATOM 1419 CB TYR A 95 -2.572 -1.051 2.415 1.00 0.00 C ATOM 1420 CG TYR A 95 -2.868 -2.526 2.570 1.00 0.00 C ATOM 1421 CD1 TYR A 95 -2.295 -3.266 3.597 1.00 0.00 C ATOM 1422 CD2 TYR A 95 -3.722 -3.179 1.690 1.00 0.00 C ATOM 1423 CE1 TYR A 95 -2.561 -4.614 3.741 1.00 0.00 C ATOM 1424 CE2 TYR A 95 -3.995 -4.526 1.827 1.00 0.00 C ATOM 1425 CZ TYR A 95 -3.413 -5.239 2.854 1.00 0.00 C ATOM 1426 OH TYR A 95 -3.682 -6.581 2.996 1.00 0.00 O ATOM 0 H TYR A 95 -0.017 -0.821 3.735 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.980 -1.194 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.755 -0.550 3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.266 -0.624 1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.630 -2.779 4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.180 -2.624 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.105 -5.175 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.661 -5.018 1.134 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.151 -6.945 3.735 1.00 0.00 H new ATOM 1436 N THR A 96 -0.455 1.201 0.710 1.00 0.00 N ATOM 1437 CA THR A 96 -0.204 2.619 0.487 1.00 0.00 C ATOM 1438 C THR A 96 -1.453 3.324 -0.029 1.00 0.00 C ATOM 1439 O THR A 96 -2.109 2.848 -0.957 1.00 0.00 O ATOM 1440 CB THR A 96 0.945 2.836 -0.515 1.00 0.00 C ATOM 1441 OG1 THR A 96 2.182 2.393 0.055 1.00 0.00 O ATOM 1442 CG2 THR A 96 1.056 4.303 -0.903 1.00 0.00 C ATOM 0 H THR A 96 -0.241 0.604 -0.089 1.00 0.00 H new ATOM 0 HA THR A 96 0.079 3.045 1.450 1.00 0.00 H new ATOM 0 HB THR A 96 0.730 2.255 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.907 2.533 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.874 4.431 -1.611 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.123 4.629 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.250 4.901 -0.013 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.778 4.462 0.575 1.00 0.00 N ATOM 1451 CA LEU A 97 -2.949 5.234 0.175 1.00 0.00 C ATOM 1452 C LEU A 97 -2.540 6.595 -0.378 1.00 0.00 C ATOM 1453 O LEU A 97 -2.081 7.464 0.362 1.00 0.00 O ATOM 1454 CB LEU A 97 -3.894 5.417 1.364 1.00 0.00 C ATOM 1455 CG LEU A 97 -4.956 6.507 1.216 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -4.365 7.874 1.525 1.00 0.00 C ATOM 1457 CD2 LEU A 97 -5.551 6.485 -0.185 1.00 0.00 C ATOM 0 H LEU A 97 -1.247 4.870 1.344 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.466 4.683 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.399 4.469 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.295 5.639 2.247 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.754 6.309 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.136 8.637 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.988 7.885 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.547 8.081 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.305 7.267 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.763 6.657 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.012 5.515 -0.369 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.713 6.773 -1.684 1.00 0.00 N ATOM 1470 CA GLN A 98 -2.364 8.030 -2.336 1.00 0.00 C ATOM 1471 C GLN A 98 -3.612 8.856 -2.629 1.00 0.00 C ATOM 1472 O GLN A 98 -4.555 8.375 -3.257 1.00 0.00 O ATOM 1473 CB GLN A 98 -1.600 7.760 -3.634 1.00 0.00 C ATOM 1474 CG GLN A 98 -1.449 8.988 -4.517 1.00 0.00 C ATOM 1475 CD GLN A 98 -1.125 8.636 -5.956 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -1.905 7.967 -6.633 1.00 0.00 O ATOM 1477 NE2 GLN A 98 0.030 9.086 -6.430 1.00 0.00 N ATOM 0 H GLN A 98 -3.092 6.063 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.726 8.597 -1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.610 7.374 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.116 6.981 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.372 9.568 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.660 9.624 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.646 9.637 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.301 8.881 -7.392 1.00 0.00 H new ATOM 1486 N VAL A 99 -3.611 10.104 -2.171 1.00 0.00 N ATOM 1487 CA VAL A 99 -4.742 10.998 -2.384 1.00 0.00 C ATOM 1488 C VAL A 99 -4.335 12.212 -3.212 1.00 0.00 C ATOM 1489 O VAL A 99 -3.303 12.833 -2.955 1.00 0.00 O ATOM 1490 CB VAL A 99 -5.338 11.479 -1.048 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -4.243 12.008 -0.134 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -6.402 12.539 -1.289 1.00 0.00 C ATOM 0 H VAL A 99 -2.839 10.519 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.497 10.428 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.811 10.630 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.683 12.343 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.522 11.216 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.738 12.845 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.812 12.867 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.957 13.390 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.200 12.120 -1.902 1.00 0.00 H new ATOM 1502 N ILE A 100 -5.152 12.544 -4.206 1.00 0.00 N ATOM 1503 CA ILE A 100 -4.877 13.685 -5.070 1.00 0.00 C ATOM 1504 C ILE A 100 -5.528 14.954 -4.530 1.00 0.00 C ATOM 1505 O ILE A 100 -6.650 14.923 -4.024 1.00 0.00 O ATOM 1506 CB ILE A 100 -5.377 13.437 -6.506 1.00 0.00 C ATOM 1507 CG1 ILE A 100 -4.485 12.412 -7.210 1.00 0.00 C ATOM 1508 CG2 ILE A 100 -5.413 14.742 -7.287 1.00 0.00 C ATOM 1509 CD1 ILE A 100 -4.792 10.981 -6.829 1.00 0.00 C ATOM 0 H ILE A 100 -6.009 12.039 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.795 13.814 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.390 13.037 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.597 12.524 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.443 12.627 -6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.768 14.550 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.086 15.443 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.411 15.169 -7.329 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.122 10.310 -7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.652 10.852 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.824 10.748 -7.090 1.00 0.00 H new ATOM 1521 N LYS A 101 -4.817 16.071 -4.642 1.00 0.00 N ATOM 1522 CA LYS A 101 -5.325 17.353 -4.168 1.00 0.00 C ATOM 1523 C LYS A 101 -5.961 18.141 -5.308 1.00 0.00 C ATOM 1524 O LYS A 101 -5.880 17.745 -6.472 1.00 0.00 O ATOM 1525 CB LYS A 101 -4.196 18.170 -3.535 1.00 0.00 C ATOM 1526 CG LYS A 101 -3.876 17.762 -2.108 1.00 0.00 C ATOM 1527 CD LYS A 101 -2.413 18.001 -1.774 1.00 0.00 C ATOM 1528 CE LYS A 101 -1.526 16.902 -2.338 1.00 0.00 C ATOM 1529 NZ LYS A 101 -1.993 15.548 -1.930 1.00 0.00 N ATOM 0 H LYS A 101 -3.886 16.114 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.089 17.157 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.298 18.066 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.470 19.225 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.504 18.325 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.115 16.708 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.100 18.965 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.289 18.051 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.512 16.969 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.502 17.051 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.200 14.877 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.352 15.584 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.753 15.236 -2.568 1.00 0.00 H new ATOM 1543 N LEU A 102 -6.592 19.260 -4.968 1.00 0.00 N ATOM 1544 CA LEU A 102 -7.240 20.106 -5.964 1.00 0.00 C ATOM 1545 C LEU A 102 -6.208 20.897 -6.762 1.00 0.00 C ATOM 1546 O LEU A 102 -6.495 21.387 -7.853 1.00 0.00 O ATOM 1547 CB LEU A 102 -8.222 21.064 -5.287 1.00 0.00 C ATOM 1548 CG LEU A 102 -9.608 20.497 -4.979 1.00 0.00 C ATOM 1549 CD1 LEU A 102 -10.554 20.734 -6.145 1.00 0.00 C ATOM 1550 CD2 LEU A 102 -9.517 19.012 -4.657 1.00 0.00 C ATOM 0 H LEU A 102 -6.669 19.602 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.787 19.461 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.777 21.409 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.343 21.939 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.005 21.015 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.535 20.323 -5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.644 21.805 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.162 20.244 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.513 18.625 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.099 18.479 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.874 18.867 -3.789 1.00 0.00 H new ATOM 1562 N ASN A 103 -5.005 21.016 -6.209 1.00 0.00 N ATOM 1563 CA ASN A 103 -3.929 21.746 -6.869 1.00 0.00 C ATOM 1564 C ASN A 103 -3.173 20.842 -7.839 1.00 0.00 C ATOM 1565 O ASN A 103 -2.019 21.106 -8.180 1.00 0.00 O ATOM 1566 CB ASN A 103 -2.963 22.321 -5.832 1.00 0.00 C ATOM 1567 CG ASN A 103 -2.914 21.490 -4.564 1.00 0.00 C ATOM 1568 OD1 ASN A 103 -3.928 21.305 -3.891 1.00 0.00 O ATOM 1569 ND2 ASN A 103 -1.732 20.984 -4.233 1.00 0.00 N ATOM 0 H ASN A 103 -4.751 20.616 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.373 22.565 -7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.964 22.380 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.264 23.339 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.638 20.416 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.918 21.163 -4.821 1.00 0.00 H new ATOM 1576 N LEU A 104 -3.832 19.776 -8.280 1.00 0.00 N ATOM 1577 CA LEU A 104 -3.223 18.832 -9.212 1.00 0.00 C ATOM 1578 C LEU A 104 -1.987 18.182 -8.598 1.00 0.00 C ATOM 1579 O LEU A 104 -0.947 18.069 -9.245 1.00 0.00 O ATOM 1580 CB LEU A 104 -2.846 19.541 -10.513 1.00 0.00 C ATOM 1581 CG LEU A 104 -3.976 20.291 -11.221 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -3.475 20.915 -12.514 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -5.146 19.356 -11.495 1.00 0.00 C ATOM 0 H LEU A 104 -4.787 19.543 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.952 18.052 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.045 20.249 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.441 18.801 -11.203 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.322 21.091 -10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.293 21.444 -13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.671 21.616 -12.292 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.102 20.133 -13.175 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.941 19.906 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.814 18.534 -12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.522 18.957 -10.553 1.00 0.00 H new ATOM 1595 N MET A 105 -2.111 17.753 -7.346 1.00 0.00 N ATOM 1596 CA MET A 105 -1.005 17.110 -6.646 1.00 0.00 C ATOM 1597 C MET A 105 -1.449 15.791 -6.023 1.00 0.00 C ATOM 1598 O MET A 105 -2.619 15.416 -6.107 1.00 0.00 O ATOM 1599 CB MET A 105 -0.450 18.038 -5.563 1.00 0.00 C ATOM 1600 CG MET A 105 0.461 19.127 -6.105 1.00 0.00 C ATOM 1601 SD MET A 105 2.192 18.625 -6.153 1.00 0.00 S ATOM 1602 CE MET A 105 2.605 18.666 -4.410 1.00 0.00 C ATOM 0 H MET A 105 -2.966 17.839 -6.796 1.00 0.00 H new ATOM 0 HA MET A 105 -0.220 16.902 -7.373 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.281 18.502 -5.032 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.101 17.444 -4.834 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.138 19.399 -7.110 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.362 20.019 -5.486 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.688 18.715 -4.294 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.150 19.543 -3.949 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.228 17.765 -3.926 1.00 0.00 H new ATOM 1612 N SER A 106 -0.509 15.090 -5.397 1.00 0.00 N ATOM 1613 CA SER A 106 -0.803 13.811 -4.763 1.00 0.00 C ATOM 1614 C SER A 106 0.140 13.555 -3.591 1.00 0.00 C ATOM 1615 O SER A 106 1.307 13.943 -3.625 1.00 0.00 O ATOM 1616 CB SER A 106 -0.689 12.675 -5.781 1.00 0.00 C ATOM 1617 OG SER A 106 0.549 12.729 -6.470 1.00 0.00 O ATOM 0 H SER A 106 0.463 15.387 -5.316 1.00 0.00 H new ATOM 0 HA SER A 106 -1.824 13.849 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.784 11.716 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.510 12.739 -6.496 1.00 0.00 H new ATOM 0 HG SER A 106 0.598 11.991 -7.113 1.00 0.00 H new ATOM 1623 N GLU A 107 -0.376 12.899 -2.556 1.00 0.00 N ATOM 1624 CA GLU A 107 0.419 12.593 -1.373 1.00 0.00 C ATOM 1625 C GLU A 107 0.635 11.088 -1.238 1.00 0.00 C ATOM 1626 O GLU A 107 0.170 10.307 -2.067 1.00 0.00 O ATOM 1627 CB GLU A 107 -0.264 13.136 -0.117 1.00 0.00 C ATOM 1628 CG GLU A 107 0.150 14.555 0.236 1.00 0.00 C ATOM 1629 CD GLU A 107 1.607 14.653 0.647 1.00 0.00 C ATOM 1630 OE1 GLU A 107 1.976 14.039 1.670 1.00 0.00 O ATOM 1631 OE2 GLU A 107 2.377 15.342 -0.054 1.00 0.00 O ATOM 0 H GLU A 107 -1.340 12.570 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 107 1.391 13.074 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.344 13.107 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.035 12.480 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.026 15.205 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.478 14.921 1.048 1.00 0.00 H new ATOM 1638 N GLU A 108 1.345 10.690 -0.187 1.00 0.00 N ATOM 1639 CA GLU A 108 1.623 9.279 0.057 1.00 0.00 C ATOM 1640 C GLU A 108 1.647 8.980 1.553 1.00 0.00 C ATOM 1641 O GLU A 108 2.201 9.744 2.342 1.00 0.00 O ATOM 1642 CB GLU A 108 2.960 8.884 -0.575 1.00 0.00 C ATOM 1643 CG GLU A 108 2.857 8.542 -2.052 1.00 0.00 C ATOM 1644 CD GLU A 108 4.143 8.821 -2.806 1.00 0.00 C ATOM 1645 OE1 GLU A 108 5.013 7.927 -2.849 1.00 0.00 O ATOM 1646 OE2 GLU A 108 4.278 9.935 -3.354 1.00 0.00 O ATOM 0 H GLU A 108 1.738 11.324 0.509 1.00 0.00 H new ATOM 0 HA GLU A 108 0.826 8.693 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.668 9.703 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.366 8.026 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.598 7.489 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.046 9.117 -2.499 1.00 0.00 H new ATOM 1653 N VAL A 109 1.040 7.861 1.936 1.00 0.00 N ATOM 1654 CA VAL A 109 0.991 7.458 3.336 1.00 0.00 C ATOM 1655 C VAL A 109 0.782 5.954 3.469 1.00 0.00 C ATOM 1656 O VAL A 109 -0.272 5.427 3.110 1.00 0.00 O ATOM 1657 CB VAL A 109 -0.135 8.190 4.091 1.00 0.00 C ATOM 1658 CG1 VAL A 109 -1.423 8.169 3.282 1.00 0.00 C ATOM 1659 CG2 VAL A 109 -0.347 7.568 5.463 1.00 0.00 C ATOM 0 H VAL A 109 0.575 7.217 1.296 1.00 0.00 H new ATOM 0 HA VAL A 109 1.951 7.728 3.777 1.00 0.00 H new ATOM 0 HB VAL A 109 0.161 9.230 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.206 8.691 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.260 8.664 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.727 7.137 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.146 8.097 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.621 6.519 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.574 7.642 6.042 1.00 0.00 H new ATOM 1669 N THR A 110 1.794 5.265 3.987 1.00 0.00 N ATOM 1670 CA THR A 110 1.723 3.821 4.167 1.00 0.00 C ATOM 1671 C THR A 110 0.970 3.462 5.444 1.00 0.00 C ATOM 1672 O THR A 110 1.504 3.582 6.545 1.00 0.00 O ATOM 1673 CB THR A 110 3.127 3.191 4.219 1.00 0.00 C ATOM 1674 OG1 THR A 110 4.050 3.988 3.468 1.00 0.00 O ATOM 1675 CG2 THR A 110 3.106 1.774 3.664 1.00 0.00 C ATOM 0 H THR A 110 2.673 5.685 4.289 1.00 0.00 H new ATOM 0 HA THR A 110 1.186 3.422 3.307 1.00 0.00 H new ATOM 0 HB THR A 110 3.444 3.152 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.941 3.581 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.109 1.350 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.425 1.162 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.769 1.794 2.628 1.00 0.00 H new ATOM 1683 N GLY A 111 -0.274 3.020 5.287 1.00 0.00 N ATOM 1684 CA GLY A 111 -1.080 2.650 6.436 1.00 0.00 C ATOM 1685 C GLY A 111 -1.613 1.234 6.339 1.00 0.00 C ATOM 1686 O GLY A 111 -2.446 0.937 5.484 1.00 0.00 O ATOM 0 H GLY A 111 -0.738 2.912 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.482 2.749 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.916 3.344 6.528 1.00 0.00 H new ATOM 1690 N GLN A 112 -1.131 0.360 7.216 1.00 0.00 N ATOM 1691 CA GLN A 112 -1.563 -1.033 7.222 1.00 0.00 C ATOM 1692 C GLN A 112 -1.831 -1.513 8.645 1.00 0.00 C ATOM 1693 O GLN A 112 -1.697 -0.752 9.604 1.00 0.00 O ATOM 1694 CB GLN A 112 -0.506 -1.920 6.563 1.00 0.00 C ATOM 1695 CG GLN A 112 0.837 -1.897 7.274 1.00 0.00 C ATOM 1696 CD GLN A 112 1.566 -0.579 7.102 1.00 0.00 C ATOM 1697 OE1 GLN A 112 1.149 0.277 6.321 1.00 0.00 O ATOM 1698 NE2 GLN A 112 2.662 -0.409 7.831 1.00 0.00 N ATOM 0 H GLN A 112 -0.442 0.591 7.931 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.490 -1.102 6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.873 -2.946 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.367 -1.599 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.685 -2.088 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.460 -2.705 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.972 -1.145 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.195 0.458 7.756 1.00 0.00 H new ATOM 1707 N PHE A 113 -2.211 -2.779 8.775 1.00 0.00 N ATOM 1708 CA PHE A 113 -2.499 -3.361 10.081 1.00 0.00 C ATOM 1709 C PHE A 113 -1.984 -4.795 10.163 1.00 0.00 C ATOM 1710 O PHE A 113 -1.332 -5.286 9.242 1.00 0.00 O ATOM 1711 CB PHE A 113 -4.004 -3.331 10.355 1.00 0.00 C ATOM 1712 CG PHE A 113 -4.809 -4.129 9.370 1.00 0.00 C ATOM 1713 CD1 PHE A 113 -4.858 -3.761 8.035 1.00 0.00 C ATOM 1714 CD2 PHE A 113 -5.517 -5.248 9.778 1.00 0.00 C ATOM 1715 CE1 PHE A 113 -5.597 -4.494 7.125 1.00 0.00 C ATOM 1716 CE2 PHE A 113 -6.258 -5.985 8.874 1.00 0.00 C ATOM 1717 CZ PHE A 113 -6.299 -5.607 7.546 1.00 0.00 C ATOM 0 H PHE A 113 -2.327 -3.422 7.992 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.987 -2.766 10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.190 -3.713 11.359 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.347 -2.297 10.339 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.312 -2.891 7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.489 -5.548 10.815 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.625 -4.197 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.804 -6.856 9.205 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.879 -6.181 6.838 1.00 0.00 H new ATOM 1727 N SER A 114 -2.282 -5.461 11.274 1.00 0.00 N ATOM 1728 CA SER A 114 -1.846 -6.837 11.480 1.00 0.00 C ATOM 1729 C SER A 114 -3.039 -7.751 11.747 1.00 0.00 C ATOM 1730 O SER A 114 -4.043 -7.329 12.322 1.00 0.00 O ATOM 1731 CB SER A 114 -0.860 -6.913 12.647 1.00 0.00 C ATOM 1732 OG SER A 114 -0.434 -8.246 12.870 1.00 0.00 O ATOM 0 H SER A 114 -2.823 -5.070 12.045 1.00 0.00 H new ATOM 0 HA SER A 114 -1.348 -7.174 10.571 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.004 -6.282 12.439 1.00 0.00 H new ATOM 0 HB3 SER A 114 -1.330 -6.522 13.550 1.00 0.00 H new ATOM 0 HG SER A 114 0.197 -8.267 13.620 1.00 0.00 H new ATOM 1738 N VAL A 115 -2.921 -9.006 11.326 1.00 0.00 N ATOM 1739 CA VAL A 115 -3.988 -9.981 11.520 1.00 0.00 C ATOM 1740 C VAL A 115 -3.455 -11.258 12.160 1.00 0.00 C ATOM 1741 O VAL A 115 -2.413 -11.778 11.761 1.00 0.00 O ATOM 1742 CB VAL A 115 -4.673 -10.336 10.187 1.00 0.00 C ATOM 1743 CG1 VAL A 115 -5.906 -11.193 10.431 1.00 0.00 C ATOM 1744 CG2 VAL A 115 -5.036 -9.072 9.422 1.00 0.00 C ATOM 0 H VAL A 115 -2.097 -9.372 10.848 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.719 -9.522 12.185 1.00 0.00 H new ATOM 0 HB VAL A 115 -3.973 -10.912 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.376 -11.434 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.615 -12.115 10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.612 -10.646 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.519 -9.341 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.718 -8.468 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.132 -8.500 9.214 1.00 0.00 H new ATOM 1754 N HIS A 116 -4.179 -11.760 13.156 1.00 0.00 N ATOM 1755 CA HIS A 116 -3.780 -12.978 13.853 1.00 0.00 C ATOM 1756 C HIS A 116 -4.999 -13.817 14.221 1.00 0.00 C ATOM 1757 O HIS A 116 -6.031 -13.302 14.653 1.00 0.00 O ATOM 1758 CB HIS A 116 -2.984 -12.634 15.112 1.00 0.00 C ATOM 1759 CG HIS A 116 -3.561 -11.493 15.892 1.00 0.00 C ATOM 1760 ND1 HIS A 116 -4.083 -11.636 17.159 1.00 0.00 N ATOM 1761 CD2 HIS A 116 -3.694 -10.183 15.577 1.00 0.00 C ATOM 1762 CE1 HIS A 116 -4.515 -10.464 17.590 1.00 0.00 C ATOM 1763 NE2 HIS A 116 -4.289 -9.565 16.649 1.00 0.00 N ATOM 0 H HIS A 116 -5.044 -11.342 13.498 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.149 -13.561 13.182 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.936 -13.514 15.753 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.960 -12.389 14.829 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.389 -9.712 14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.975 -10.274 18.549 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.519 -8.573 16.709 1.00 0.00 H new ATOM 1772 N PRO A 117 -4.881 -15.142 14.047 1.00 0.00 N ATOM 1773 CA PRO A 117 -5.965 -16.081 14.355 1.00 0.00 C ATOM 1774 C PRO A 117 -6.218 -16.202 15.853 1.00 0.00 C ATOM 1775 O PRO A 117 -5.313 -16.003 16.663 1.00 0.00 O ATOM 1776 CB PRO A 117 -5.454 -17.409 13.790 1.00 0.00 C ATOM 1777 CG PRO A 117 -3.970 -17.278 13.797 1.00 0.00 C ATOM 1778 CD PRO A 117 -3.681 -15.826 13.536 1.00 0.00 C ATOM 0 HA PRO A 117 -6.916 -15.759 13.931 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.780 -18.251 14.401 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.831 -17.582 12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.555 -17.592 14.755 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.519 -17.909 13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -2.780 -15.496 14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -3.529 -15.631 12.474 1.00 0.00 H new