USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 123 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 79 SER OG : rot -61:sc= 0.0939 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -3.61 F(o=-6.3!,f=-3.6) USER MOD Single : A 85 SER OG : rot -2:sc= -1.26! USER MOD Single : A 87 MET CE :methyl -152:sc= -0.171 (180deg=-0.728) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 92 TYR OH : rot 171:sc= 1.06 USER MOD Single : A 94 THR OG1 : rot 41:sc= 0.386 USER MOD Single : A 96 SER OG : rot 180:sc= -0.92 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.022) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 172:sc= 0.0127 USER MOD Single : A 121 MET CE :methyl -173:sc= 0 (180deg=-0.11) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= -0.0152 (180deg=-0.182) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 144 GLN :FLIP amide:sc= -0.331 F(o=-1.1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 75 -23.187 11.778 -4.593 1.00 0.00 N ATOM 2 CA ALA A 75 -21.863 11.325 -4.185 1.00 0.00 C ATOM 3 C ALA A 75 -21.578 11.703 -2.735 1.00 0.00 C ATOM 4 O ALA A 75 -21.635 10.860 -1.841 1.00 0.00 O ATOM 5 CB ALA A 75 -20.799 11.908 -5.103 1.00 0.00 C ATOM 0 HA ALA A 75 -21.837 10.238 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.815 11.561 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -20.985 11.585 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -20.833 12.996 -5.054 1.00 0.00 H new ATOM 11 N ALA A 76 -21.272 12.977 -2.511 1.00 0.00 N ATOM 12 CA ALA A 76 -20.980 13.468 -1.171 1.00 0.00 C ATOM 13 C ALA A 76 -19.640 12.938 -0.671 1.00 0.00 C ATOM 14 O ALA A 76 -19.394 11.733 -0.682 1.00 0.00 O ATOM 15 CB ALA A 76 -22.095 13.079 -0.210 1.00 0.00 C ATOM 0 H ALA A 76 -21.220 13.687 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.917 14.555 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.863 13.453 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -23.036 13.512 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -22.186 11.993 -0.178 1.00 0.00 H new ATOM 21 N GLU A 77 -18.777 13.849 -0.233 1.00 0.00 N ATOM 22 CA GLU A 77 -17.461 13.476 0.271 1.00 0.00 C ATOM 23 C GLU A 77 -16.782 12.478 -0.661 1.00 0.00 C ATOM 24 O GLU A 77 -16.481 11.351 -0.267 1.00 0.00 O ATOM 25 CB GLU A 77 -17.579 12.883 1.675 1.00 0.00 C ATOM 26 CG GLU A 77 -18.836 13.313 2.413 1.00 0.00 C ATOM 27 CD GLU A 77 -19.181 12.389 3.565 1.00 0.00 C ATOM 28 OE1 GLU A 77 -19.859 11.369 3.324 1.00 0.00 O ATOM 29 OE2 GLU A 77 -18.773 12.686 4.707 1.00 0.00 O ATOM 0 H GLU A 77 -18.966 14.851 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.849 14.377 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.564 11.795 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.707 13.176 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.702 14.326 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -19.671 13.343 1.713 1.00 0.00 H new ATOM 36 N ILE A 78 -16.545 12.899 -1.899 1.00 0.00 N ATOM 37 CA ILE A 78 -15.903 12.044 -2.888 1.00 0.00 C ATOM 38 C ILE A 78 -14.388 12.045 -2.721 1.00 0.00 C ATOM 39 O ILE A 78 -13.668 11.372 -3.459 1.00 0.00 O ATOM 40 CB ILE A 78 -16.262 12.490 -4.316 1.00 0.00 C ATOM 41 CG1 ILE A 78 -16.109 11.325 -5.291 1.00 0.00 C ATOM 42 CG2 ILE A 78 -15.399 13.669 -4.747 1.00 0.00 C ATOM 43 CD1 ILE A 78 -16.743 10.040 -4.804 1.00 0.00 C ATOM 0 H ILE A 78 -16.789 13.829 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 78 -16.272 11.031 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 78 -17.303 12.813 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -16.555 11.601 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.048 11.151 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -15.670 13.967 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -15.560 14.505 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -14.349 13.379 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.595 9.257 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.281 9.740 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -17.811 10.197 -4.650 1.00 0.00 H new ATOM 55 N SER A 79 -13.917 12.808 -1.750 1.00 0.00 N ATOM 56 CA SER A 79 -12.490 12.908 -1.473 1.00 0.00 C ATOM 57 C SER A 79 -11.823 11.539 -1.546 1.00 0.00 C ATOM 58 O SER A 79 -12.329 10.561 -0.994 1.00 0.00 O ATOM 59 CB SER A 79 -12.258 13.528 -0.094 1.00 0.00 C ATOM 60 OG SER A 79 -13.438 14.143 0.394 1.00 0.00 O ATOM 0 H SER A 79 -14.504 13.372 -1.135 1.00 0.00 H new ATOM 0 HA SER A 79 -12.044 13.550 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.930 12.758 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.458 14.266 -0.153 1.00 0.00 H new ATOM 0 HG SER A 79 -13.708 14.862 -0.215 1.00 0.00 H new ATOM 66 N GLY A 80 -10.685 11.476 -2.229 1.00 0.00 N ATOM 67 CA GLY A 80 -9.968 10.222 -2.361 1.00 0.00 C ATOM 68 C GLY A 80 -9.233 9.838 -1.092 1.00 0.00 C ATOM 69 O GLY A 80 -9.737 10.050 0.012 1.00 0.00 O ATOM 0 H GLY A 80 -10.247 12.271 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.671 9.431 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.254 10.300 -3.181 1.00 0.00 H new ATOM 73 N HIS A 81 -8.040 9.272 -1.248 1.00 0.00 N ATOM 74 CA HIS A 81 -7.233 8.857 -0.108 1.00 0.00 C ATOM 75 C HIS A 81 -6.074 7.978 -0.561 1.00 0.00 C ATOM 76 O HIS A 81 -6.179 6.753 -0.569 1.00 0.00 O ATOM 77 CB HIS A 81 -8.091 8.097 0.905 1.00 0.00 C ATOM 78 CG HIS A 81 -7.293 7.427 1.979 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.587 6.269 1.972 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.153 7.950 3.248 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.041 6.119 3.223 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -6.395 7.146 3.974 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.611 9.090 -2.155 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.831 9.753 0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.795 8.790 1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.680 7.346 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.594 8.873 3.595 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.422 5.294 3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.129 7.294 4.948 1.00 0.00 H new ATOM 91 N ILE A 82 -4.968 8.607 -0.939 1.00 0.00 N ATOM 92 CA ILE A 82 -3.798 7.866 -1.390 1.00 0.00 C ATOM 93 C ILE A 82 -2.936 7.434 -0.213 1.00 0.00 C ATOM 94 O ILE A 82 -3.082 7.939 0.900 1.00 0.00 O ATOM 95 CB ILE A 82 -2.946 8.692 -2.370 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.847 9.627 -3.178 1.00 0.00 C ATOM 97 CG2 ILE A 82 -2.151 7.769 -3.285 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.342 9.923 -4.576 1.00 0.00 C ATOM 0 H ILE A 82 -4.857 9.621 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.166 6.981 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.236 9.299 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.840 9.184 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.955 10.567 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.553 8.366 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.494 7.140 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.837 7.140 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.039 10.593 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.362 10.397 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.261 8.993 -5.138 1.00 0.00 H new ATOM 110 N VAL A 83 -2.039 6.493 -0.470 1.00 0.00 N ATOM 111 CA VAL A 83 -1.147 5.980 0.565 1.00 0.00 C ATOM 112 C VAL A 83 0.314 6.212 0.201 1.00 0.00 C ATOM 113 O VAL A 83 1.133 5.295 0.271 1.00 0.00 O ATOM 114 CB VAL A 83 -1.371 4.475 0.804 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.730 4.038 2.112 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.856 4.147 0.794 1.00 0.00 C ATOM 0 H VAL A 83 -1.908 6.067 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.380 6.526 1.479 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.895 3.924 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.900 2.972 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.342 4.233 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.172 4.595 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.994 3.079 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.358 4.708 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.282 4.418 -0.172 1.00 0.00 H new ATOM 126 N ARG A 84 0.636 7.441 -0.185 1.00 0.00 N ATOM 127 CA ARG A 84 2.001 7.788 -0.559 1.00 0.00 C ATOM 128 C ARG A 84 2.993 7.292 0.485 1.00 0.00 C ATOM 129 O ARG A 84 2.769 7.433 1.687 1.00 0.00 O ATOM 130 CB ARG A 84 2.139 9.301 -0.736 1.00 0.00 C ATOM 131 CG ARG A 84 1.195 10.107 0.141 1.00 0.00 C ATOM 132 CD ARG A 84 1.609 11.569 0.205 1.00 0.00 C ATOM 133 NE ARG A 84 0.535 12.421 0.709 1.00 0.00 N ATOM 134 CZ ARG A 84 0.548 13.747 0.625 1.00 0.00 C ATOM 135 NH1 ARG A 84 1.575 14.369 0.062 1.00 0.00 N ATOM 136 NH2 ARG A 84 -0.467 14.454 1.105 1.00 0.00 N ATOM 0 H ARG A 84 -0.028 8.212 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 84 2.225 7.300 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.165 9.592 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.956 9.554 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.180 10.032 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.182 9.687 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.484 11.670 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.903 11.906 -0.789 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.269 11.974 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.358 13.829 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.582 15.387 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.259 13.980 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.456 15.472 1.040 1.00 0.00 H new ATOM 150 N SER A 85 4.092 6.710 0.017 1.00 0.00 N ATOM 151 CA SER A 85 5.120 6.191 0.910 1.00 0.00 C ATOM 152 C SER A 85 5.430 7.192 2.019 1.00 0.00 C ATOM 153 O SER A 85 5.988 8.259 1.767 1.00 0.00 O ATOM 154 CB SER A 85 6.393 5.873 0.123 1.00 0.00 C ATOM 155 OG SER A 85 7.138 7.051 -0.137 1.00 0.00 O ATOM 0 H SER A 85 4.293 6.586 -0.975 1.00 0.00 H new ATOM 0 HA SER A 85 4.744 5.275 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.005 5.168 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.132 5.389 -0.818 1.00 0.00 H new ATOM 0 HG SER A 85 6.657 7.827 0.218 1.00 0.00 H new ATOM 161 N PRO A 86 5.073 6.853 3.268 1.00 0.00 N ATOM 162 CA PRO A 86 5.318 7.722 4.425 1.00 0.00 C ATOM 163 C PRO A 86 6.805 7.982 4.644 1.00 0.00 C ATOM 164 O PRO A 86 7.185 8.834 5.447 1.00 0.00 O ATOM 165 CB PRO A 86 4.731 6.935 5.603 1.00 0.00 C ATOM 166 CG PRO A 86 4.660 5.523 5.130 1.00 0.00 C ATOM 167 CD PRO A 86 4.411 5.597 3.651 1.00 0.00 C ATOM 0 HA PRO A 86 4.870 8.707 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.360 7.023 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.744 7.310 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.588 4.992 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.860 4.982 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.835 4.741 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.346 5.616 3.421 1.00 0.00 H new ATOM 175 N MET A 87 7.641 7.243 3.923 1.00 0.00 N ATOM 176 CA MET A 87 9.087 7.392 4.034 1.00 0.00 C ATOM 177 C MET A 87 9.784 6.815 2.806 1.00 0.00 C ATOM 178 O MET A 87 9.138 6.470 1.818 1.00 0.00 O ATOM 179 CB MET A 87 9.596 6.702 5.299 1.00 0.00 C ATOM 180 CG MET A 87 9.312 5.210 5.335 1.00 0.00 C ATOM 181 SD MET A 87 7.910 4.795 6.391 1.00 0.00 S ATOM 182 CE MET A 87 8.545 5.268 7.997 1.00 0.00 C ATOM 0 H MET A 87 7.341 6.534 3.254 1.00 0.00 H new ATOM 0 HA MET A 87 9.317 8.456 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.671 6.861 5.382 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.137 7.172 6.169 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.116 4.857 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.198 4.684 5.691 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.072 4.661 8.769 1.00 0.00 H new ATOM 0 HE2 MET A 87 9.623 5.111 8.023 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.327 6.320 8.179 1.00 0.00 H new ATOM 192 N VAL A 88 11.108 6.713 2.875 1.00 0.00 N ATOM 193 CA VAL A 88 11.890 6.178 1.768 1.00 0.00 C ATOM 194 C VAL A 88 11.985 4.658 1.848 1.00 0.00 C ATOM 195 O VAL A 88 12.959 4.114 2.370 1.00 0.00 O ATOM 196 CB VAL A 88 13.311 6.770 1.748 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.103 6.221 0.571 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.256 8.290 1.700 1.00 0.00 C ATOM 0 H VAL A 88 11.660 6.994 3.685 1.00 0.00 H new ATOM 0 HA VAL A 88 11.375 6.459 0.850 1.00 0.00 H new ATOM 0 HB VAL A 88 13.819 6.476 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.105 6.651 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.174 5.136 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.599 6.481 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.270 8.691 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 88 12.729 8.607 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.730 8.663 2.579 1.00 0.00 H new ATOM 208 N GLY A 89 10.968 3.976 1.329 1.00 0.00 N ATOM 209 CA GLY A 89 10.958 2.524 1.354 1.00 0.00 C ATOM 210 C GLY A 89 10.531 1.919 0.031 1.00 0.00 C ATOM 211 O GLY A 89 10.930 2.393 -1.033 1.00 0.00 O ATOM 0 H GLY A 89 10.151 4.403 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.954 2.162 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.284 2.183 2.139 1.00 0.00 H new ATOM 215 N THR A 90 9.718 0.868 0.097 1.00 0.00 N ATOM 216 CA THR A 90 9.239 0.196 -1.105 1.00 0.00 C ATOM 217 C THR A 90 7.782 -0.229 -0.951 1.00 0.00 C ATOM 218 O THR A 90 7.363 -0.671 0.119 1.00 0.00 O ATOM 219 CB THR A 90 10.105 -1.027 -1.410 1.00 0.00 C ATOM 220 OG1 THR A 90 11.467 -0.659 -1.533 1.00 0.00 O ATOM 221 CG2 THR A 90 9.705 -1.742 -2.682 1.00 0.00 C ATOM 0 H THR A 90 9.378 0.464 0.970 1.00 0.00 H new ATOM 0 HA THR A 90 9.308 0.901 -1.934 1.00 0.00 H new ATOM 0 HB THR A 90 9.954 -1.704 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.005 -1.455 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.360 -2.599 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.673 -2.084 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.794 -1.059 -3.527 1.00 0.00 H new ATOM 229 N PHE A 91 7.014 -0.095 -2.028 1.00 0.00 N ATOM 230 CA PHE A 91 5.603 -0.468 -2.016 1.00 0.00 C ATOM 231 C PHE A 91 5.433 -1.945 -2.341 1.00 0.00 C ATOM 232 O PHE A 91 6.180 -2.497 -3.149 1.00 0.00 O ATOM 233 CB PHE A 91 4.820 0.377 -3.023 1.00 0.00 C ATOM 234 CG PHE A 91 3.465 -0.182 -3.354 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.303 -1.095 -4.398 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.341 0.200 -2.622 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.051 -1.605 -4.699 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.096 -0.311 -2.924 1.00 0.00 C ATOM 239 CZ PHE A 91 0.950 -1.211 -3.963 1.00 0.00 C ATOM 0 H PHE A 91 7.345 0.270 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 91 5.213 -0.283 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.700 1.384 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.402 0.465 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.161 -1.406 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.447 0.904 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.935 -2.310 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.234 -0.008 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.026 -1.607 -4.200 1.00 0.00 H new ATOM 249 N TYR A 92 4.448 -2.579 -1.710 1.00 0.00 N ATOM 250 CA TYR A 92 4.174 -3.996 -1.933 1.00 0.00 C ATOM 251 C TYR A 92 2.682 -4.284 -1.822 1.00 0.00 C ATOM 252 O TYR A 92 1.934 -3.518 -1.215 1.00 0.00 O ATOM 253 CB TYR A 92 4.938 -4.854 -0.925 1.00 0.00 C ATOM 254 CG TYR A 92 6.433 -4.869 -1.143 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.969 -4.828 -2.429 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.310 -4.919 -0.063 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.342 -4.836 -2.632 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.681 -4.929 -0.254 1.00 0.00 C ATOM 259 CZ TYR A 92 9.193 -4.888 -1.540 1.00 0.00 C ATOM 260 OH TYR A 92 10.555 -4.896 -1.734 1.00 0.00 O ATOM 0 H TYR A 92 3.824 -2.132 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 92 4.506 -4.246 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.731 -4.487 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.563 -5.876 -0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.306 -4.789 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.914 -4.951 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.744 -4.802 -3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.347 -4.969 0.595 1.00 0.00 H new ATOM 0 HH TYR A 92 11.009 -4.791 -0.872 1.00 0.00 H new ATOM 270 N ARG A 93 2.255 -5.397 -2.409 1.00 0.00 N ATOM 271 CA ARG A 93 0.853 -5.792 -2.372 1.00 0.00 C ATOM 272 C ARG A 93 0.716 -7.311 -2.399 1.00 0.00 C ATOM 273 O ARG A 93 -0.334 -7.844 -2.762 1.00 0.00 O ATOM 274 CB ARG A 93 0.095 -5.177 -3.549 1.00 0.00 C ATOM 275 CG ARG A 93 0.485 -5.763 -4.896 1.00 0.00 C ATOM 276 CD ARG A 93 -0.338 -5.162 -6.025 1.00 0.00 C ATOM 277 NE ARG A 93 -0.800 -6.179 -6.966 1.00 0.00 N ATOM 278 CZ ARG A 93 -1.604 -7.181 -6.630 1.00 0.00 C ATOM 279 NH1 ARG A 93 -2.036 -7.297 -5.381 1.00 0.00 N ATOM 280 NH2 ARG A 93 -1.980 -8.067 -7.541 1.00 0.00 N ATOM 0 H ARG A 93 2.861 -6.042 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 93 0.422 -5.423 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.975 -5.320 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.274 -4.102 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.544 -5.582 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.345 -6.844 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.197 -4.637 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.261 -4.422 -6.556 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.488 -6.116 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.751 -6.616 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.654 -8.067 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.652 -7.980 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.598 -8.836 -7.280 1.00 0.00 H new ATOM 294 N THR A 94 1.785 -8.003 -2.014 1.00 0.00 N ATOM 295 CA THR A 94 1.786 -9.462 -1.994 1.00 0.00 C ATOM 296 C THR A 94 2.710 -9.989 -0.901 1.00 0.00 C ATOM 297 O THR A 94 3.934 -9.915 -1.019 1.00 0.00 O ATOM 298 CB THR A 94 2.218 -10.012 -3.353 1.00 0.00 C ATOM 299 OG1 THR A 94 3.439 -9.427 -3.767 1.00 0.00 O ATOM 300 CG2 THR A 94 1.200 -9.773 -4.447 1.00 0.00 C ATOM 0 H THR A 94 2.661 -7.577 -1.712 1.00 0.00 H new ATOM 0 HA THR A 94 0.771 -9.799 -1.781 1.00 0.00 H new ATOM 0 HB THR A 94 2.325 -11.087 -3.207 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.045 -9.359 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.569 -10.188 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.260 -10.257 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.036 -8.702 -4.564 1.00 0.00 H new ATOM 308 N PRO A 95 2.132 -10.531 0.180 1.00 0.00 N ATOM 309 CA PRO A 95 2.901 -11.074 1.302 1.00 0.00 C ATOM 310 C PRO A 95 3.593 -12.388 0.950 1.00 0.00 C ATOM 311 O PRO A 95 4.497 -12.832 1.657 1.00 0.00 O ATOM 312 CB PRO A 95 1.842 -11.299 2.380 1.00 0.00 C ATOM 313 CG PRO A 95 0.574 -11.510 1.625 1.00 0.00 C ATOM 314 CD PRO A 95 0.679 -10.654 0.391 1.00 0.00 C ATOM 0 HA PRO A 95 3.705 -10.404 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.084 -12.164 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.768 -10.441 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.447 -12.560 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.290 -11.225 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.187 -11.119 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.211 -9.681 0.537 1.00 0.00 H new ATOM 322 N SER A 96 3.162 -13.005 -0.146 1.00 0.00 N ATOM 323 CA SER A 96 3.742 -14.268 -0.589 1.00 0.00 C ATOM 324 C SER A 96 3.321 -14.591 -2.018 1.00 0.00 C ATOM 325 O SER A 96 2.229 -14.225 -2.455 1.00 0.00 O ATOM 326 CB SER A 96 3.323 -15.401 0.347 1.00 0.00 C ATOM 327 OG SER A 96 2.622 -14.901 1.473 1.00 0.00 O ATOM 0 H SER A 96 2.414 -12.651 -0.743 1.00 0.00 H new ATOM 0 HA SER A 96 4.827 -14.168 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.693 -16.108 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.206 -15.948 0.678 1.00 0.00 H new ATOM 0 HG SER A 96 2.364 -15.646 2.055 1.00 0.00 H new ATOM 333 N PRO A 97 4.189 -15.288 -2.766 1.00 0.00 N ATOM 334 CA PRO A 97 3.914 -15.668 -4.156 1.00 0.00 C ATOM 335 C PRO A 97 2.563 -16.361 -4.310 1.00 0.00 C ATOM 336 O PRO A 97 1.955 -16.327 -5.380 1.00 0.00 O ATOM 337 CB PRO A 97 5.052 -16.633 -4.492 1.00 0.00 C ATOM 338 CG PRO A 97 6.163 -16.241 -3.580 1.00 0.00 C ATOM 339 CD PRO A 97 5.510 -15.759 -2.313 1.00 0.00 C ATOM 0 HA PRO A 97 3.865 -14.801 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.754 -17.669 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.349 -16.547 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.822 -17.086 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.775 -15.457 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.421 -16.559 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.083 -14.958 -1.845 1.00 0.00 H new ATOM 347 N ASP A 98 2.098 -16.987 -3.234 1.00 0.00 N ATOM 348 CA ASP A 98 0.819 -17.688 -3.250 1.00 0.00 C ATOM 349 C ASP A 98 -0.085 -17.191 -2.126 1.00 0.00 C ATOM 350 O ASP A 98 -0.620 -17.983 -1.350 1.00 0.00 O ATOM 351 CB ASP A 98 1.035 -19.197 -3.116 1.00 0.00 C ATOM 352 CG ASP A 98 1.049 -19.902 -4.458 1.00 0.00 C ATOM 353 OD1 ASP A 98 1.666 -19.368 -5.403 1.00 0.00 O ATOM 354 OD2 ASP A 98 0.443 -20.988 -4.564 1.00 0.00 O ATOM 0 H ASP A 98 2.588 -17.023 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 98 0.333 -17.483 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.978 -19.382 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.246 -19.620 -2.495 1.00 0.00 H new ATOM 359 N ALA A 99 -0.249 -15.875 -2.042 1.00 0.00 N ATOM 360 CA ALA A 99 -1.085 -15.273 -1.012 1.00 0.00 C ATOM 361 C ALA A 99 -2.305 -14.590 -1.619 1.00 0.00 C ATOM 362 O ALA A 99 -2.668 -14.851 -2.767 1.00 0.00 O ATOM 363 CB ALA A 99 -0.277 -14.278 -0.192 1.00 0.00 C ATOM 0 H ALA A 99 0.187 -15.205 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.437 -16.070 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.914 -13.836 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.559 -14.792 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.104 -13.493 -0.845 1.00 0.00 H new ATOM 369 N LYS A 100 -2.934 -13.714 -0.843 1.00 0.00 N ATOM 370 CA LYS A 100 -4.114 -12.993 -1.303 1.00 0.00 C ATOM 371 C LYS A 100 -3.835 -11.496 -1.395 1.00 0.00 C ATOM 372 O LYS A 100 -4.753 -10.678 -1.327 1.00 0.00 O ATOM 373 CB LYS A 100 -5.291 -13.249 -0.362 1.00 0.00 C ATOM 374 CG LYS A 100 -5.306 -12.339 0.855 1.00 0.00 C ATOM 375 CD LYS A 100 -5.478 -13.131 2.142 1.00 0.00 C ATOM 376 CE LYS A 100 -6.909 -13.617 2.309 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.079 -14.429 3.546 1.00 0.00 N ATOM 0 H LYS A 100 -2.646 -13.486 0.108 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.368 -13.358 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.222 -13.119 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.260 -14.286 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.376 -11.771 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.117 -11.616 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.801 -13.985 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.202 -12.509 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.582 -12.760 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.194 -14.213 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.068 -14.741 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.456 -15.260 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.832 -13.853 4.376 1.00 0.00 H new ATOM 391 N ALA A 101 -2.562 -11.145 -1.551 1.00 0.00 N ATOM 392 CA ALA A 101 -2.162 -9.746 -1.652 1.00 0.00 C ATOM 393 C ALA A 101 -2.761 -8.920 -0.520 1.00 0.00 C ATOM 394 O ALA A 101 -3.590 -9.410 0.248 1.00 0.00 O ATOM 395 CB ALA A 101 -2.574 -9.176 -3.001 1.00 0.00 C ATOM 0 H ALA A 101 -1.791 -11.810 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.077 -9.697 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.269 -8.131 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.092 -9.742 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.656 -9.245 -3.110 1.00 0.00 H new ATOM 401 N PHE A 102 -2.337 -7.665 -0.422 1.00 0.00 N ATOM 402 CA PHE A 102 -2.832 -6.770 0.618 1.00 0.00 C ATOM 403 C PHE A 102 -3.933 -5.863 0.075 1.00 0.00 C ATOM 404 O PHE A 102 -4.973 -5.686 0.710 1.00 0.00 O ATOM 405 CB PHE A 102 -1.685 -5.928 1.183 1.00 0.00 C ATOM 406 CG PHE A 102 -0.791 -6.685 2.127 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.048 -8.018 2.431 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.310 -6.066 2.711 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.225 -8.717 3.302 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.132 -6.759 3.581 1.00 0.00 C ATOM 411 CZ PHE A 102 0.866 -8.086 3.877 1.00 0.00 C ATOM 0 H PHE A 102 -1.652 -7.244 -1.050 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.253 -7.378 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -1.086 -5.544 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.101 -5.065 1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.897 -8.514 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.525 -5.033 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.434 -9.751 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.981 -6.266 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.508 -8.628 4.555 1.00 0.00 H new ATOM 421 N ILE A 103 -3.701 -5.296 -1.105 1.00 0.00 N ATOM 422 CA ILE A 103 -4.676 -4.411 -1.732 1.00 0.00 C ATOM 423 C ILE A 103 -4.422 -4.285 -3.231 1.00 0.00 C ATOM 424 O ILE A 103 -3.275 -4.233 -3.674 1.00 0.00 O ATOM 425 CB ILE A 103 -4.654 -3.005 -1.102 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.263 -2.385 -1.234 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.074 -3.070 0.358 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.138 -1.433 -2.402 1.00 0.00 C ATOM 0 H ILE A 103 -2.847 -5.434 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.656 -4.859 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.365 -2.374 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.022 -1.853 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.527 -3.182 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.053 -2.068 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.084 -3.474 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.387 -3.714 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.126 -1.030 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.348 -1.966 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.850 -0.616 -2.284 1.00 0.00 H new ATOM 440 N GLU A 104 -5.501 -4.234 -4.007 1.00 0.00 N ATOM 441 CA GLU A 104 -5.398 -4.113 -5.456 1.00 0.00 C ATOM 442 C GLU A 104 -6.327 -3.021 -5.979 1.00 0.00 C ATOM 443 O GLU A 104 -7.146 -2.482 -5.234 1.00 0.00 O ATOM 444 CB GLU A 104 -5.730 -5.447 -6.128 1.00 0.00 C ATOM 445 CG GLU A 104 -7.218 -5.755 -6.165 1.00 0.00 C ATOM 446 CD GLU A 104 -7.524 -7.070 -6.854 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.771 -7.448 -7.775 1.00 0.00 O ATOM 448 OE2 GLU A 104 -8.519 -7.722 -6.472 1.00 0.00 O ATOM 0 H GLU A 104 -6.457 -4.275 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.371 -3.839 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.344 -5.437 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.214 -6.249 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.605 -5.784 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.739 -4.949 -6.681 1.00 0.00 H new ATOM 455 N VAL A 105 -6.195 -2.701 -7.262 1.00 0.00 N ATOM 456 CA VAL A 105 -7.024 -1.675 -7.882 1.00 0.00 C ATOM 457 C VAL A 105 -8.506 -1.989 -7.716 1.00 0.00 C ATOM 458 O VAL A 105 -9.005 -2.979 -8.252 1.00 0.00 O ATOM 459 CB VAL A 105 -6.710 -1.527 -9.382 1.00 0.00 C ATOM 460 CG1 VAL A 105 -7.148 -2.768 -10.145 1.00 0.00 C ATOM 461 CG2 VAL A 105 -7.377 -0.282 -9.947 1.00 0.00 C ATOM 0 H VAL A 105 -5.522 -3.137 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.794 -0.738 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.632 -1.419 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.918 -2.645 -11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.619 -3.639 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.221 -2.911 -10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.144 -0.194 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.457 -0.357 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.009 0.599 -9.420 1.00 0.00 H new ATOM 471 N GLY A 106 -9.206 -1.139 -6.972 1.00 0.00 N ATOM 472 CA GLY A 106 -10.625 -1.343 -6.749 1.00 0.00 C ATOM 473 C GLY A 106 -10.909 -2.133 -5.487 1.00 0.00 C ATOM 474 O GLY A 106 -12.065 -2.401 -5.161 1.00 0.00 O ATOM 0 H GLY A 106 -8.816 -0.312 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.122 -0.375 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.052 -1.866 -7.605 1.00 0.00 H new ATOM 478 N GLN A 107 -9.852 -2.507 -4.774 1.00 0.00 N ATOM 479 CA GLN A 107 -9.992 -3.271 -3.538 1.00 0.00 C ATOM 480 C GLN A 107 -10.490 -2.381 -2.403 1.00 0.00 C ATOM 481 O GLN A 107 -9.803 -1.450 -1.984 1.00 0.00 O ATOM 482 CB GLN A 107 -8.656 -3.909 -3.155 1.00 0.00 C ATOM 483 CG GLN A 107 -8.667 -4.571 -1.787 1.00 0.00 C ATOM 484 CD GLN A 107 -9.257 -5.968 -1.820 1.00 0.00 C ATOM 485 OE1 GLN A 107 -10.179 -6.283 -1.067 1.00 0.00 O ATOM 486 NE2 GLN A 107 -8.727 -6.813 -2.696 1.00 0.00 N ATOM 0 H GLN A 107 -8.888 -2.294 -5.030 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.727 -4.058 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.389 -4.652 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.879 -3.144 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.648 -4.620 -1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.240 -3.955 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.964 -6.509 -3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.083 -7.766 -2.765 1.00 0.00 H new ATOM 495 N LYS A 108 -11.691 -2.672 -1.912 1.00 0.00 N ATOM 496 CA LYS A 108 -12.283 -1.898 -0.827 1.00 0.00 C ATOM 497 C LYS A 108 -11.577 -2.184 0.497 1.00 0.00 C ATOM 498 O LYS A 108 -11.405 -3.341 0.881 1.00 0.00 O ATOM 499 CB LYS A 108 -13.775 -2.211 -0.704 1.00 0.00 C ATOM 500 CG LYS A 108 -14.076 -3.693 -0.536 1.00 0.00 C ATOM 501 CD LYS A 108 -14.677 -4.286 -1.800 1.00 0.00 C ATOM 502 CE LYS A 108 -16.071 -4.837 -1.548 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.123 -3.806 -1.760 1.00 0.00 N ATOM 0 H LYS A 108 -12.273 -3.439 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.160 -0.840 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.182 -1.667 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.289 -1.843 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -13.159 -4.225 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.765 -3.833 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -14.721 -3.522 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -14.032 -5.082 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.252 -5.682 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.133 -5.214 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.059 -4.222 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.965 -3.010 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.081 -3.464 -2.741 1.00 0.00 H new ATOM 517 N VAL A 109 -11.171 -1.123 1.189 1.00 0.00 N ATOM 518 CA VAL A 109 -10.486 -1.261 2.469 1.00 0.00 C ATOM 519 C VAL A 109 -11.347 -0.743 3.616 1.00 0.00 C ATOM 520 O VAL A 109 -12.410 -0.163 3.394 1.00 0.00 O ATOM 521 CB VAL A 109 -9.142 -0.507 2.472 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.192 -1.102 1.444 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.362 0.976 2.211 1.00 0.00 C ATOM 0 H VAL A 109 -11.305 -0.159 0.884 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.299 -2.325 2.611 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.687 -0.616 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.249 -0.556 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.009 -2.150 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.636 -1.027 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.402 1.493 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.839 1.108 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.002 1.391 2.989 1.00 0.00 H new ATOM 533 N ASN A 110 -10.879 -0.953 4.843 1.00 0.00 N ATOM 534 CA ASN A 110 -11.601 -0.507 6.023 1.00 0.00 C ATOM 535 C ASN A 110 -10.680 -0.474 7.236 1.00 0.00 C ATOM 536 O ASN A 110 -9.965 -1.435 7.518 1.00 0.00 O ATOM 537 CB ASN A 110 -12.791 -1.424 6.303 1.00 0.00 C ATOM 538 CG ASN A 110 -13.581 -1.751 5.050 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.146 -2.550 4.220 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.747 -1.134 4.908 1.00 0.00 N ATOM 0 H ASN A 110 -10.000 -1.431 5.043 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.968 0.501 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.434 -2.349 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.449 -0.948 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.323 -1.314 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.068 -0.479 5.621 1.00 0.00 H new ATOM 547 N VAL A 111 -10.707 0.642 7.949 1.00 0.00 N ATOM 548 CA VAL A 111 -9.878 0.815 9.135 1.00 0.00 C ATOM 549 C VAL A 111 -9.853 -0.453 9.977 1.00 0.00 C ATOM 550 O VAL A 111 -10.899 -0.991 10.339 1.00 0.00 O ATOM 551 CB VAL A 111 -10.377 1.983 10.006 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.254 3.300 9.257 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.813 1.744 10.449 1.00 0.00 C ATOM 0 H VAL A 111 -11.296 1.445 7.727 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.870 1.037 8.784 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.751 2.040 10.897 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.612 4.113 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.210 3.475 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.852 3.258 8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.148 2.580 11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.455 1.658 9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.866 0.823 11.029 1.00 0.00 H new ATOM 563 N GLY A 112 -8.651 -0.928 10.286 1.00 0.00 N ATOM 564 CA GLY A 112 -8.513 -2.131 11.084 1.00 0.00 C ATOM 565 C GLY A 112 -7.915 -3.283 10.300 1.00 0.00 C ATOM 566 O GLY A 112 -7.700 -4.367 10.843 1.00 0.00 O ATOM 0 H GLY A 112 -7.771 -0.501 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.884 -1.919 11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.491 -2.424 11.465 1.00 0.00 H new ATOM 570 N ASP A 113 -7.647 -3.050 9.019 1.00 0.00 N ATOM 571 CA ASP A 113 -7.071 -4.075 8.161 1.00 0.00 C ATOM 572 C ASP A 113 -5.646 -3.700 7.757 1.00 0.00 C ATOM 573 O ASP A 113 -4.928 -3.051 8.517 1.00 0.00 O ATOM 574 CB ASP A 113 -7.943 -4.269 6.918 1.00 0.00 C ATOM 575 CG ASP A 113 -8.074 -5.728 6.527 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.058 -6.324 6.107 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.190 -6.276 6.641 1.00 0.00 O ATOM 0 H ASP A 113 -7.820 -2.159 8.554 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.034 -5.013 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.934 -3.855 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.515 -3.710 6.086 1.00 0.00 H new ATOM 582 N THR A 114 -5.242 -4.113 6.560 1.00 0.00 N ATOM 583 CA THR A 114 -3.903 -3.819 6.064 1.00 0.00 C ATOM 584 C THR A 114 -3.955 -3.294 4.632 1.00 0.00 C ATOM 585 O THR A 114 -4.649 -3.850 3.782 1.00 0.00 O ATOM 586 CB THR A 114 -3.027 -5.070 6.126 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.468 -5.941 7.153 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.566 -4.766 6.378 1.00 0.00 C ATOM 0 H THR A 114 -5.822 -4.651 5.917 1.00 0.00 H new ATOM 0 HA THR A 114 -3.470 -3.047 6.700 1.00 0.00 H new ATOM 0 HB THR A 114 -3.120 -5.536 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.896 -6.736 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.001 -5.697 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.182 -4.136 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.462 -4.245 7.330 1.00 0.00 H new ATOM 596 N LEU A 115 -3.215 -2.220 4.375 1.00 0.00 N ATOM 597 CA LEU A 115 -3.174 -1.621 3.047 1.00 0.00 C ATOM 598 C LEU A 115 -2.103 -2.283 2.187 1.00 0.00 C ATOM 599 O LEU A 115 -2.410 -3.041 1.268 1.00 0.00 O ATOM 600 CB LEU A 115 -2.906 -0.119 3.149 1.00 0.00 C ATOM 601 CG LEU A 115 -4.093 0.722 3.623 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.648 2.141 3.939 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.194 0.726 2.572 1.00 0.00 C ATOM 0 H LEU A 115 -2.636 -1.747 5.069 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.144 -1.777 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.072 0.040 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.590 0.245 2.171 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.490 0.277 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.505 2.725 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.894 2.119 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.226 2.598 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.031 1.329 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.809 1.147 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.531 -0.295 2.395 1.00 0.00 H new ATOM 615 N CYS A 116 -0.843 -1.992 2.494 1.00 0.00 N ATOM 616 CA CYS A 116 0.274 -2.560 1.750 1.00 0.00 C ATOM 617 C CYS A 116 1.538 -2.581 2.601 1.00 0.00 C ATOM 618 O CYS A 116 1.510 -2.243 3.785 1.00 0.00 O ATOM 619 CB CYS A 116 0.521 -1.762 0.469 1.00 0.00 C ATOM 620 SG CYS A 116 0.181 0.007 0.625 1.00 0.00 S ATOM 0 H CYS A 116 -0.571 -1.367 3.252 1.00 0.00 H new ATOM 0 HA CYS A 116 0.017 -3.586 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.559 -1.896 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.100 -2.172 -0.327 1.00 0.00 H new ATOM 0 HG CYS A 116 0.570 0.620 -0.453 1.00 0.00 H new ATOM 626 N ILE A 117 2.647 -2.982 1.990 1.00 0.00 N ATOM 627 CA ILE A 117 3.924 -3.051 2.690 1.00 0.00 C ATOM 628 C ILE A 117 4.884 -1.980 2.190 1.00 0.00 C ATOM 629 O ILE A 117 5.293 -1.992 1.029 1.00 0.00 O ATOM 630 CB ILE A 117 4.588 -4.433 2.524 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.564 -5.469 2.058 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.235 -4.870 3.827 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.975 -6.897 2.343 1.00 0.00 C ATOM 0 H ILE A 117 2.687 -3.264 1.011 1.00 0.00 H new ATOM 0 HA ILE A 117 3.711 -2.883 3.746 1.00 0.00 H new ATOM 0 HB ILE A 117 5.364 -4.354 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.610 -5.270 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.404 -5.353 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.699 -5.847 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.995 -4.144 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.476 -4.933 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.201 -7.577 1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.913 -7.114 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.107 -7.030 3.417 1.00 0.00 H new ATOM 645 N VAL A 118 5.243 -1.056 3.075 1.00 0.00 N ATOM 646 CA VAL A 118 6.162 0.020 2.726 1.00 0.00 C ATOM 647 C VAL A 118 7.571 -0.300 3.205 1.00 0.00 C ATOM 648 O VAL A 118 8.171 0.464 3.962 1.00 0.00 O ATOM 649 CB VAL A 118 5.714 1.363 3.332 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.227 2.524 2.494 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.200 1.413 3.455 1.00 0.00 C ATOM 0 H VAL A 118 4.911 -1.031 4.039 1.00 0.00 H new ATOM 0 HA VAL A 118 6.157 0.108 1.640 1.00 0.00 H new ATOM 0 HB VAL A 118 6.140 1.451 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.901 3.465 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.316 2.496 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.832 2.444 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.901 2.369 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.751 1.303 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.860 0.603 4.100 1.00 0.00 H new ATOM 661 N GLU A 119 8.091 -1.441 2.763 1.00 0.00 N ATOM 662 CA GLU A 119 9.428 -1.879 3.147 1.00 0.00 C ATOM 663 C GLU A 119 10.368 -0.692 3.324 1.00 0.00 C ATOM 664 O GLU A 119 10.979 -0.221 2.366 1.00 0.00 O ATOM 665 CB GLU A 119 9.991 -2.843 2.103 1.00 0.00 C ATOM 666 CG GLU A 119 10.239 -4.243 2.640 1.00 0.00 C ATOM 667 CD GLU A 119 11.414 -4.927 1.969 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.710 -4.592 0.803 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.041 -5.796 2.611 1.00 0.00 O ATOM 0 H GLU A 119 7.604 -2.081 2.136 1.00 0.00 H new ATOM 0 HA GLU A 119 9.349 -2.396 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.298 -2.902 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.927 -2.440 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.420 -4.189 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.343 -4.847 2.497 1.00 0.00 H new ATOM 676 N ALA A 120 10.483 -0.218 4.560 1.00 0.00 N ATOM 677 CA ALA A 120 11.351 0.910 4.873 1.00 0.00 C ATOM 678 C ALA A 120 12.548 0.461 5.703 1.00 0.00 C ATOM 679 O ALA A 120 12.410 -0.358 6.611 1.00 0.00 O ATOM 680 CB ALA A 120 10.569 1.988 5.609 1.00 0.00 C ATOM 0 H ALA A 120 9.984 -0.600 5.364 1.00 0.00 H new ATOM 0 HA ALA A 120 11.724 1.325 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.229 2.825 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.748 2.334 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.169 1.578 6.537 1.00 0.00 H new ATOM 686 N MET A 121 13.719 1.000 5.384 1.00 0.00 N ATOM 687 CA MET A 121 14.942 0.654 6.100 1.00 0.00 C ATOM 688 C MET A 121 15.269 -0.828 5.930 1.00 0.00 C ATOM 689 O MET A 121 16.112 -1.375 6.642 1.00 0.00 O ATOM 690 CB MET A 121 14.810 1.009 7.588 1.00 0.00 C ATOM 691 CG MET A 121 14.323 -0.136 8.470 1.00 0.00 C ATOM 692 SD MET A 121 15.607 -0.753 9.574 1.00 0.00 S ATOM 693 CE MET A 121 14.616 -1.550 10.836 1.00 0.00 C ATOM 0 H MET A 121 13.848 1.679 4.634 1.00 0.00 H new ATOM 0 HA MET A 121 15.762 1.234 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.779 1.347 7.955 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.121 1.847 7.689 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.472 0.202 9.061 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.969 -0.951 7.839 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.260 -1.872 11.654 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.874 -0.847 11.214 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.111 -2.416 10.409 1.00 0.00 H new ATOM 703 N LYS A 122 14.592 -1.471 4.983 1.00 0.00 N ATOM 704 CA LYS A 122 14.804 -2.888 4.717 1.00 0.00 C ATOM 705 C LYS A 122 13.952 -3.748 5.644 1.00 0.00 C ATOM 706 O LYS A 122 14.460 -4.636 6.327 1.00 0.00 O ATOM 707 CB LYS A 122 16.282 -3.247 4.883 1.00 0.00 C ATOM 708 CG LYS A 122 16.698 -4.485 4.105 1.00 0.00 C ATOM 709 CD LYS A 122 15.602 -5.539 4.109 1.00 0.00 C ATOM 710 CE LYS A 122 15.895 -6.651 3.115 1.00 0.00 C ATOM 711 NZ LYS A 122 16.715 -7.708 3.701 1.00 0.00 N ATOM 0 H LYS A 122 13.891 -1.031 4.387 1.00 0.00 H new ATOM 0 HA LYS A 122 14.504 -3.087 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.891 -2.403 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.492 -3.405 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.934 -4.208 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.607 -4.901 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.505 -5.960 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.647 -5.073 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.956 -7.076 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.406 -6.235 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.891 -8.446 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 17.622 -7.309 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.217 -8.123 4.514 1.00 0.00 H new ATOM 722 N MET A 123 12.651 -3.477 5.662 1.00 0.00 N ATOM 723 CA MET A 123 11.726 -4.227 6.503 1.00 0.00 C ATOM 724 C MET A 123 10.281 -3.870 6.178 1.00 0.00 C ATOM 725 O MET A 123 9.928 -2.695 6.071 1.00 0.00 O ATOM 726 CB MET A 123 12.005 -3.953 7.981 1.00 0.00 C ATOM 727 CG MET A 123 11.478 -2.610 8.461 1.00 0.00 C ATOM 728 SD MET A 123 9.976 -2.767 9.446 1.00 0.00 S ATOM 729 CE MET A 123 9.815 -1.101 10.084 1.00 0.00 C ATOM 0 H MET A 123 12.214 -2.744 5.104 1.00 0.00 H new ATOM 0 HA MET A 123 11.876 -5.288 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.556 -4.745 8.580 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.081 -3.994 8.153 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.246 -2.113 9.053 1.00 0.00 H new ATOM 0 HG3 MET A 123 11.278 -1.973 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 123 8.801 -0.949 10.454 1.00 0.00 H new ATOM 0 HE2 MET A 123 10.524 -0.953 10.899 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.022 -0.385 9.289 1.00 0.00 H new ATOM 739 N MET A 124 9.449 -4.894 6.024 1.00 0.00 N ATOM 740 CA MET A 124 8.038 -4.694 5.711 1.00 0.00 C ATOM 741 C MET A 124 7.409 -3.675 6.654 1.00 0.00 C ATOM 742 O MET A 124 7.470 -3.823 7.875 1.00 0.00 O ATOM 743 CB MET A 124 7.281 -6.021 5.795 1.00 0.00 C ATOM 744 CG MET A 124 7.745 -6.917 6.933 1.00 0.00 C ATOM 745 SD MET A 124 6.372 -7.661 7.835 1.00 0.00 S ATOM 746 CE MET A 124 6.454 -9.351 7.246 1.00 0.00 C ATOM 0 H MET A 124 9.727 -5.872 6.111 1.00 0.00 H new ATOM 0 HA MET A 124 7.970 -4.309 4.693 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.217 -5.816 5.916 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.397 -6.556 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.382 -7.706 6.533 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.355 -6.335 7.623 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.665 -9.939 7.715 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.323 -9.366 6.164 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.424 -9.778 7.500 1.00 0.00 H new ATOM 756 N ASN A 125 6.801 -2.643 6.079 1.00 0.00 N ATOM 757 CA ASN A 125 6.157 -1.600 6.868 1.00 0.00 C ATOM 758 C ASN A 125 4.639 -1.706 6.766 1.00 0.00 C ATOM 759 O ASN A 125 3.971 -0.780 6.305 1.00 0.00 O ATOM 760 CB ASN A 125 6.617 -0.218 6.400 1.00 0.00 C ATOM 761 CG ASN A 125 6.770 0.760 7.549 1.00 0.00 C ATOM 762 OD1 ASN A 125 5.796 1.362 8.000 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.998 0.922 8.029 1.00 0.00 N ATOM 0 H ASN A 125 6.741 -2.507 5.070 1.00 0.00 H new ATOM 0 HA ASN A 125 6.445 -1.735 7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.569 -0.313 5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.898 0.178 5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.162 1.566 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.777 0.402 7.624 1.00 0.00 H new ATOM 770 N GLN A 126 4.101 -2.844 7.195 1.00 0.00 N ATOM 771 CA GLN A 126 2.663 -3.076 7.151 1.00 0.00 C ATOM 772 C GLN A 126 1.896 -1.794 7.458 1.00 0.00 C ATOM 773 O GLN A 126 2.185 -1.103 8.435 1.00 0.00 O ATOM 774 CB GLN A 126 2.271 -4.171 8.145 1.00 0.00 C ATOM 775 CG GLN A 126 2.215 -3.693 9.587 1.00 0.00 C ATOM 776 CD GLN A 126 2.205 -4.838 10.580 1.00 0.00 C ATOM 777 OE1 GLN A 126 2.043 -5.999 10.206 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.379 -4.515 11.857 1.00 0.00 N ATOM 0 H GLN A 126 4.641 -3.620 7.577 1.00 0.00 H new ATOM 0 HA GLN A 126 2.403 -3.401 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.296 -4.571 7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.986 -4.991 8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.073 -3.051 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.322 -3.085 9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.510 -3.539 12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.382 -5.243 12.571 1.00 0.00 H new ATOM 787 N ILE A 127 0.917 -1.482 6.614 1.00 0.00 N ATOM 788 CA ILE A 127 0.108 -0.283 6.792 1.00 0.00 C ATOM 789 C ILE A 127 -1.323 -0.637 7.181 1.00 0.00 C ATOM 790 O ILE A 127 -2.039 -1.292 6.425 1.00 0.00 O ATOM 791 CB ILE A 127 0.083 0.572 5.512 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.494 1.053 5.165 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.858 1.755 5.683 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.071 2.017 6.179 1.00 0.00 C ATOM 0 H ILE A 127 0.666 -2.043 5.800 1.00 0.00 H new ATOM 0 HA ILE A 127 0.568 0.292 7.596 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.283 -0.043 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.153 0.189 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.475 1.535 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.865 2.350 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.865 1.392 5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.519 2.372 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.072 2.316 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.434 2.899 6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.123 1.532 7.154 1.00 0.00 H new ATOM 806 N GLU A 128 -1.734 -0.196 8.366 1.00 0.00 N ATOM 807 CA GLU A 128 -3.081 -0.463 8.855 1.00 0.00 C ATOM 808 C GLU A 128 -4.052 0.619 8.396 1.00 0.00 C ATOM 809 O GLU A 128 -3.830 1.806 8.635 1.00 0.00 O ATOM 810 CB GLU A 128 -3.082 -0.553 10.381 1.00 0.00 C ATOM 811 CG GLU A 128 -1.908 -1.336 10.945 1.00 0.00 C ATOM 812 CD GLU A 128 -2.044 -2.830 10.722 1.00 0.00 C ATOM 813 OE1 GLU A 128 -2.978 -3.240 9.999 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.218 -3.590 11.269 1.00 0.00 O ATOM 0 H GLU A 128 -1.153 0.348 9.005 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.409 -1.417 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -3.069 0.455 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.011 -1.020 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.986 -0.985 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.823 -1.138 12.013 1.00 0.00 H new ATOM 821 N ALA A 129 -5.125 0.203 7.734 1.00 0.00 N ATOM 822 CA ALA A 129 -6.129 1.139 7.242 1.00 0.00 C ATOM 823 C ALA A 129 -6.480 2.175 8.304 1.00 0.00 C ATOM 824 O ALA A 129 -7.013 1.839 9.361 1.00 0.00 O ATOM 825 CB ALA A 129 -7.377 0.392 6.797 1.00 0.00 C ATOM 0 H ALA A 129 -5.322 -0.776 7.525 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.710 1.664 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.117 1.105 6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.119 -0.304 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.790 -0.161 7.641 1.00 0.00 H new ATOM 831 N ASP A 130 -6.179 3.436 8.015 1.00 0.00 N ATOM 832 CA ASP A 130 -6.465 4.522 8.945 1.00 0.00 C ATOM 833 C ASP A 130 -7.722 5.278 8.525 1.00 0.00 C ATOM 834 O ASP A 130 -8.006 6.363 9.032 1.00 0.00 O ATOM 835 CB ASP A 130 -5.279 5.485 9.020 1.00 0.00 C ATOM 836 CG ASP A 130 -4.635 5.716 7.667 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.360 5.679 6.651 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.407 5.935 7.624 1.00 0.00 O ATOM 0 H ASP A 130 -5.737 3.731 7.144 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.633 4.088 9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.614 6.439 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.535 5.088 9.710 1.00 0.00 H new ATOM 843 N LYS A 131 -8.470 4.696 7.593 1.00 0.00 N ATOM 844 CA LYS A 131 -9.697 5.312 7.101 1.00 0.00 C ATOM 845 C LYS A 131 -10.348 4.441 6.032 1.00 0.00 C ATOM 846 O LYS A 131 -9.730 4.123 5.016 1.00 0.00 O ATOM 847 CB LYS A 131 -9.400 6.704 6.535 1.00 0.00 C ATOM 848 CG LYS A 131 -10.523 7.271 5.678 1.00 0.00 C ATOM 849 CD LYS A 131 -10.018 7.688 4.306 1.00 0.00 C ATOM 850 CE LYS A 131 -11.166 8.013 3.364 1.00 0.00 C ATOM 851 NZ LYS A 131 -12.119 8.988 3.964 1.00 0.00 N ATOM 0 H LYS A 131 -8.248 3.798 7.163 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.390 5.409 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.205 7.388 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.489 6.657 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -11.310 6.525 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -10.968 8.130 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.370 8.559 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.413 6.887 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -10.768 8.420 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.697 7.096 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.745 9.363 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.690 8.512 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.588 9.770 4.397 1.00 0.00 H new ATOM 865 N SER A 132 -11.600 4.061 6.266 1.00 0.00 N ATOM 866 CA SER A 132 -12.333 3.229 5.319 1.00 0.00 C ATOM 867 C SER A 132 -12.374 3.885 3.945 1.00 0.00 C ATOM 868 O SER A 132 -12.777 5.041 3.810 1.00 0.00 O ATOM 869 CB SER A 132 -13.756 2.978 5.822 1.00 0.00 C ATOM 870 OG SER A 132 -14.656 2.799 4.741 1.00 0.00 O ATOM 0 H SER A 132 -12.127 4.315 7.101 1.00 0.00 H new ATOM 0 HA SER A 132 -11.815 2.274 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.769 2.094 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.082 3.818 6.435 1.00 0.00 H new ATOM 0 HG SER A 132 -15.558 2.639 5.089 1.00 0.00 H new ATOM 876 N GLY A 133 -11.955 3.143 2.926 1.00 0.00 N ATOM 877 CA GLY A 133 -11.952 3.675 1.577 1.00 0.00 C ATOM 878 C GLY A 133 -11.985 2.587 0.522 1.00 0.00 C ATOM 879 O GLY A 133 -12.137 1.407 0.839 1.00 0.00 O ATOM 0 H GLY A 133 -11.618 2.184 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.814 4.329 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.062 4.288 1.434 1.00 0.00 H new ATOM 883 N THR A 134 -11.847 2.987 -0.737 1.00 0.00 N ATOM 884 CA THR A 134 -11.862 2.042 -1.847 1.00 0.00 C ATOM 885 C THR A 134 -10.749 2.348 -2.842 1.00 0.00 C ATOM 886 O THR A 134 -10.811 3.337 -3.571 1.00 0.00 O ATOM 887 CB THR A 134 -13.213 2.094 -2.559 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.270 1.845 -1.649 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.332 1.094 -3.689 1.00 0.00 C ATOM 0 H THR A 134 -11.723 3.961 -1.015 1.00 0.00 H new ATOM 0 HA THR A 134 -11.700 1.043 -1.443 1.00 0.00 H new ATOM 0 HB THR A 134 -13.282 3.099 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.126 1.884 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.315 1.183 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.561 1.292 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.206 0.085 -3.297 1.00 0.00 H new ATOM 897 N VAL A 135 -9.734 1.491 -2.875 1.00 0.00 N ATOM 898 CA VAL A 135 -8.617 1.676 -3.792 1.00 0.00 C ATOM 899 C VAL A 135 -9.121 1.998 -5.193 1.00 0.00 C ATOM 900 O VAL A 135 -10.147 1.474 -5.627 1.00 0.00 O ATOM 901 CB VAL A 135 -7.721 0.425 -3.852 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.589 0.625 -4.848 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.176 0.094 -2.471 1.00 0.00 C ATOM 0 H VAL A 135 -9.662 0.666 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.026 2.510 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.325 -0.417 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.967 -0.270 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.004 0.809 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.983 1.479 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.545 -0.793 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.587 0.934 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.005 -0.096 -1.789 1.00 0.00 H new ATOM 913 N LYS A 136 -8.398 2.860 -5.896 1.00 0.00 N ATOM 914 CA LYS A 136 -8.776 3.247 -7.241 1.00 0.00 C ATOM 915 C LYS A 136 -7.726 2.768 -8.226 1.00 0.00 C ATOM 916 O LYS A 136 -8.035 2.383 -9.354 1.00 0.00 O ATOM 917 CB LYS A 136 -8.939 4.771 -7.307 1.00 0.00 C ATOM 918 CG LYS A 136 -7.852 5.498 -8.088 1.00 0.00 C ATOM 919 CD LYS A 136 -7.625 6.896 -7.543 1.00 0.00 C ATOM 920 CE LYS A 136 -8.648 7.881 -8.086 1.00 0.00 C ATOM 921 NZ LYS A 136 -8.010 9.141 -8.558 1.00 0.00 N ATOM 0 H LYS A 136 -7.546 3.303 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.727 2.785 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -9.905 5.000 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.961 5.164 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.923 4.930 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -8.133 5.556 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -7.680 6.876 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -6.621 7.231 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -9.194 7.420 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.377 8.112 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.741 9.786 -8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.510 9.594 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -7.333 8.924 -9.317 1.00 0.00 H new ATOM 935 N ALA A 137 -6.480 2.804 -7.782 1.00 0.00 N ATOM 936 CA ALA A 137 -5.366 2.383 -8.615 1.00 0.00 C ATOM 937 C ALA A 137 -4.035 2.573 -7.899 1.00 0.00 C ATOM 938 O ALA A 137 -3.838 3.555 -7.183 1.00 0.00 O ATOM 939 CB ALA A 137 -5.384 3.166 -9.913 1.00 0.00 C ATOM 0 H ALA A 137 -6.215 3.121 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.475 1.320 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.549 2.852 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.321 2.980 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.295 4.231 -9.697 1.00 0.00 H new ATOM 945 N ILE A 138 -3.117 1.633 -8.106 1.00 0.00 N ATOM 946 CA ILE A 138 -1.802 1.707 -7.489 1.00 0.00 C ATOM 947 C ILE A 138 -0.843 2.483 -8.383 1.00 0.00 C ATOM 948 O ILE A 138 -0.131 1.901 -9.201 1.00 0.00 O ATOM 949 CB ILE A 138 -1.219 0.303 -7.209 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.285 -0.778 -7.411 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.661 0.237 -5.798 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.544 -0.544 -6.605 1.00 0.00 C ATOM 0 H ILE A 138 -3.262 0.813 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.920 2.223 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.409 0.121 -7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.544 -0.828 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.865 -1.746 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.254 -0.757 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.129 0.980 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.457 0.441 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.254 -1.348 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.298 -0.524 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.988 0.409 -6.893 1.00 0.00 H new ATOM 964 N LEU A 139 -0.835 3.804 -8.225 1.00 0.00 N ATOM 965 CA LEU A 139 0.031 4.665 -9.023 1.00 0.00 C ATOM 966 C LEU A 139 1.411 4.041 -9.170 1.00 0.00 C ATOM 967 O LEU A 139 2.112 4.272 -10.156 1.00 0.00 O ATOM 968 CB LEU A 139 0.148 6.048 -8.380 1.00 0.00 C ATOM 969 CG LEU A 139 -1.181 6.761 -8.131 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.949 8.098 -7.444 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.932 6.955 -9.439 1.00 0.00 C ATOM 0 H LEU A 139 -1.418 4.301 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.412 4.774 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.672 5.947 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.766 6.678 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.789 6.139 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.906 8.591 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.451 7.934 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.323 8.728 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.876 7.464 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.329 7.556 -10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.130 5.984 -9.892 1.00 0.00 H new ATOM 983 N VAL A 140 1.792 3.250 -8.177 1.00 0.00 N ATOM 984 CA VAL A 140 3.084 2.585 -8.176 1.00 0.00 C ATOM 985 C VAL A 140 2.947 1.123 -8.566 1.00 0.00 C ATOM 986 O VAL A 140 1.874 0.534 -8.432 1.00 0.00 O ATOM 987 CB VAL A 140 3.738 2.658 -6.786 1.00 0.00 C ATOM 988 CG1 VAL A 140 4.964 1.759 -6.720 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.102 4.096 -6.447 1.00 0.00 C ATOM 0 H VAL A 140 1.219 3.053 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 140 3.709 3.101 -8.905 1.00 0.00 H new ATOM 0 HB VAL A 140 3.020 2.302 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.411 1.826 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.670 0.728 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.690 2.078 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.564 4.131 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.802 4.479 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.201 4.709 -6.448 1.00 0.00 H new ATOM 999 N GLU A 141 4.043 0.534 -9.027 1.00 0.00 N ATOM 1000 CA GLU A 141 4.038 -0.868 -9.406 1.00 0.00 C ATOM 1001 C GLU A 141 3.650 -1.711 -8.199 1.00 0.00 C ATOM 1002 O GLU A 141 2.864 -1.273 -7.359 1.00 0.00 O ATOM 1003 CB GLU A 141 5.416 -1.286 -9.927 1.00 0.00 C ATOM 1004 CG GLU A 141 6.068 -0.245 -10.822 1.00 0.00 C ATOM 1005 CD GLU A 141 6.302 -0.753 -12.232 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.367 -1.987 -12.416 1.00 0.00 O ATOM 1007 OE2 GLU A 141 6.418 0.083 -13.152 1.00 0.00 O ATOM 0 H GLU A 141 4.940 1.004 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 141 3.312 -1.023 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.071 -1.486 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.318 -2.220 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.437 0.643 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.020 0.059 -10.386 1.00 0.00 H new ATOM 1014 N SER A 142 4.201 -2.910 -8.099 1.00 0.00 N ATOM 1015 CA SER A 142 3.895 -3.773 -6.972 1.00 0.00 C ATOM 1016 C SER A 142 5.022 -3.750 -5.948 1.00 0.00 C ATOM 1017 O SER A 142 4.812 -3.389 -4.793 1.00 0.00 O ATOM 1018 CB SER A 142 3.659 -5.204 -7.433 1.00 0.00 C ATOM 1019 OG SER A 142 4.121 -5.400 -8.758 1.00 0.00 O ATOM 0 H SER A 142 4.855 -3.303 -8.776 1.00 0.00 H new ATOM 0 HA SER A 142 2.985 -3.394 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.170 -5.894 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.595 -5.435 -7.378 1.00 0.00 H new ATOM 0 HG SER A 142 3.958 -6.328 -9.027 1.00 0.00 H new ATOM 1025 N GLY A 143 6.216 -4.142 -6.380 1.00 0.00 N ATOM 1026 CA GLY A 143 7.356 -4.163 -5.487 1.00 0.00 C ATOM 1027 C GLY A 143 8.528 -3.372 -6.021 1.00 0.00 C ATOM 1028 O GLY A 143 9.254 -3.837 -6.899 1.00 0.00 O ATOM 0 H GLY A 143 6.413 -4.445 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.061 -3.759 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.664 -5.195 -5.322 1.00 0.00 H new ATOM 1032 N GLN A 144 8.716 -2.171 -5.486 1.00 0.00 N ATOM 1033 CA GLN A 144 9.815 -1.316 -5.914 1.00 0.00 C ATOM 1034 C GLN A 144 9.999 -0.136 -4.966 1.00 0.00 C ATOM 1035 O GLN A 144 9.029 0.495 -4.544 1.00 0.00 O ATOM 1036 CB GLN A 144 9.567 -0.808 -7.335 1.00 0.00 C ATOM 1037 CG GLN A 144 8.334 0.073 -7.460 1.00 0.00 C ATOM 1038 CD GLN A 144 8.653 1.448 -8.011 1.00 0.00 C ATOM 1039 OE1 GLN A 144 8.091 2.480 -7.392 1.00 0.00 O flip ATOM 1040 NE2 GLN A 144 9.396 1.581 -8.983 1.00 0.00 N flip ATOM 0 H GLN A 144 8.124 -1.769 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 144 10.728 -1.911 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.440 -0.247 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.462 -1.662 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.608 -0.415 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.866 0.178 -6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.806 0.760 -9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 144 9.602 2.513 -9.344 1.00 0.00 H new ATOM 1049 N PRO A 145 11.257 0.174 -4.622 1.00 0.00 N ATOM 1050 CA PRO A 145 11.585 1.284 -3.720 1.00 0.00 C ATOM 1051 C PRO A 145 10.965 2.602 -4.171 1.00 0.00 C ATOM 1052 O PRO A 145 10.697 2.801 -5.356 1.00 0.00 O ATOM 1053 CB PRO A 145 13.112 1.361 -3.790 1.00 0.00 C ATOM 1054 CG PRO A 145 13.544 -0.008 -4.191 1.00 0.00 C ATOM 1055 CD PRO A 145 12.460 -0.536 -5.089 1.00 0.00 C ATOM 0 HA PRO A 145 11.199 1.118 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.438 2.107 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.538 1.644 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.502 0.021 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.674 -0.648 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.669 -0.326 -6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.351 -1.617 -4.996 1.00 0.00 H new ATOM 1063 N VAL A 146 10.740 3.500 -3.217 1.00 0.00 N ATOM 1064 CA VAL A 146 10.153 4.800 -3.512 1.00 0.00 C ATOM 1065 C VAL A 146 10.740 5.882 -2.611 1.00 0.00 C ATOM 1066 O VAL A 146 11.846 5.738 -2.092 1.00 0.00 O ATOM 1067 CB VAL A 146 8.622 4.777 -3.340 1.00 0.00 C ATOM 1068 CG1 VAL A 146 8.020 3.577 -4.054 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.252 4.770 -1.865 1.00 0.00 C ATOM 0 H VAL A 146 10.956 3.350 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 146 10.389 5.028 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 146 8.211 5.680 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.938 3.579 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.254 3.631 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.435 2.660 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.167 4.754 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.675 3.886 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.648 5.665 -1.386 1.00 0.00 H new ATOM 1079 N GLU A 147 9.991 6.965 -2.428 1.00 0.00 N ATOM 1080 CA GLU A 147 10.438 8.071 -1.589 1.00 0.00 C ATOM 1081 C GLU A 147 9.254 8.771 -0.933 1.00 0.00 C ATOM 1082 O GLU A 147 8.151 8.793 -1.481 1.00 0.00 O ATOM 1083 CB GLU A 147 11.243 9.075 -2.417 1.00 0.00 C ATOM 1084 CG GLU A 147 12.674 8.637 -2.682 1.00 0.00 C ATOM 1085 CD GLU A 147 13.608 9.808 -2.917 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.197 10.957 -2.654 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.750 9.575 -3.366 1.00 0.00 O ATOM 0 H GLU A 147 9.072 7.100 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 147 11.075 7.663 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.738 9.235 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.255 10.034 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.034 8.054 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.694 7.981 -3.552 1.00 0.00 H new ATOM 1094 N PHE A 148 9.488 9.343 0.243 1.00 0.00 N ATOM 1095 CA PHE A 148 8.439 10.046 0.972 1.00 0.00 C ATOM 1096 C PHE A 148 7.610 10.912 0.028 1.00 0.00 C ATOM 1097 O PHE A 148 8.144 11.523 -0.898 1.00 0.00 O ATOM 1098 CB PHE A 148 9.051 10.913 2.075 1.00 0.00 C ATOM 1099 CG PHE A 148 8.062 11.826 2.741 1.00 0.00 C ATOM 1100 CD1 PHE A 148 6.958 11.308 3.409 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.235 13.206 2.700 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.044 12.149 4.025 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.325 14.052 3.315 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.228 13.522 3.978 1.00 0.00 C ATOM 0 H PHE A 148 10.394 9.334 0.711 1.00 0.00 H new ATOM 0 HA PHE A 148 7.783 9.303 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.499 10.265 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.856 11.512 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.811 10.239 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.087 13.623 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.190 11.735 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.470 15.122 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.517 14.179 4.457 1.00 0.00 H new ATOM 1114 N ASP A 149 6.302 10.956 0.264 1.00 0.00 N ATOM 1115 CA ASP A 149 5.403 11.745 -0.569 1.00 0.00 C ATOM 1116 C ASP A 149 5.341 11.180 -1.983 1.00 0.00 C ATOM 1117 O ASP A 149 5.119 11.913 -2.947 1.00 0.00 O ATOM 1118 CB ASP A 149 5.857 13.205 -0.610 1.00 0.00 C ATOM 1119 CG ASP A 149 4.865 14.137 0.057 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.025 13.648 0.840 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.929 15.357 -0.205 1.00 0.00 O ATOM 0 H ASP A 149 5.842 10.455 1.024 1.00 0.00 H new ATOM 0 HA ASP A 149 4.406 11.696 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.825 13.296 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 149 5.998 13.510 -1.647 1.00 0.00 H new ATOM 1126 N GLU A 150 5.538 9.872 -2.098 1.00 0.00 N ATOM 1127 CA GLU A 150 5.502 9.209 -3.393 1.00 0.00 C ATOM 1128 C GLU A 150 4.268 8.323 -3.516 1.00 0.00 C ATOM 1129 O GLU A 150 4.359 7.098 -3.445 1.00 0.00 O ATOM 1130 CB GLU A 150 6.766 8.375 -3.603 1.00 0.00 C ATOM 1131 CG GLU A 150 6.828 7.705 -4.965 1.00 0.00 C ATOM 1132 CD GLU A 150 7.918 8.279 -5.849 1.00 0.00 C ATOM 1133 OE1 GLU A 150 8.090 9.517 -5.849 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.598 7.493 -6.540 1.00 0.00 O ATOM 0 H GLU A 150 5.724 9.251 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 150 5.454 9.979 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.639 9.016 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.821 7.611 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 150 6.998 6.637 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.865 7.815 -5.464 1.00 0.00 H new ATOM 1141 N PRO A 151 3.094 8.940 -3.711 1.00 0.00 N ATOM 1142 CA PRO A 151 1.835 8.219 -3.857 1.00 0.00 C ATOM 1143 C PRO A 151 2.025 6.871 -4.545 1.00 0.00 C ATOM 1144 O PRO A 151 2.745 6.771 -5.538 1.00 0.00 O ATOM 1145 CB PRO A 151 1.023 9.171 -4.727 1.00 0.00 C ATOM 1146 CG PRO A 151 1.480 10.537 -4.320 1.00 0.00 C ATOM 1147 CD PRO A 151 2.901 10.396 -3.817 1.00 0.00 C ATOM 0 HA PRO A 151 1.365 7.976 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.204 8.992 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.047 9.045 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.436 11.226 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.834 10.944 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.616 10.845 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.035 10.888 -2.854 1.00 0.00 H new ATOM 1155 N LEU A 152 1.386 5.835 -4.009 1.00 0.00 N ATOM 1156 CA LEU A 152 1.502 4.501 -4.574 1.00 0.00 C ATOM 1157 C LEU A 152 0.136 3.842 -4.678 1.00 0.00 C ATOM 1158 O LEU A 152 -0.147 3.114 -5.631 1.00 0.00 O ATOM 1159 CB LEU A 152 2.420 3.633 -3.705 1.00 0.00 C ATOM 1160 CG LEU A 152 3.369 4.399 -2.780 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.140 3.989 -1.333 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.815 4.153 -3.182 1.00 0.00 C ATOM 0 H LEU A 152 0.785 5.896 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 152 1.929 4.593 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.800 2.975 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.014 2.995 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 152 3.163 5.465 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.822 4.541 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.111 4.211 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.323 2.920 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.477 4.705 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.036 3.088 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.970 4.490 -4.207 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.701 4.088 -3.678 1.00 0.00 N ATOM 1175 CA VAL A 153 -2.026 3.506 -3.630 1.00 0.00 C ATOM 1176 C VAL A 153 -3.098 4.568 -3.403 1.00 0.00 C ATOM 1177 O VAL A 153 -3.142 5.211 -2.356 1.00 0.00 O ATOM 1178 CB VAL A 153 -2.085 2.438 -2.521 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -3.487 2.295 -1.942 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -1.582 1.120 -3.066 1.00 0.00 C ATOM 0 H VAL A 153 -0.479 4.692 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 153 -2.227 3.039 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.442 2.757 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -3.483 1.532 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -3.803 3.247 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -4.179 2.004 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -1.623 0.363 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -2.207 0.810 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -0.553 1.236 -3.405 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.964 4.733 -4.396 1.00 0.00 N ATOM 1191 CA VAL A 154 -5.049 5.703 -4.318 1.00 0.00 C ATOM 1192 C VAL A 154 -6.350 5.035 -3.883 1.00 0.00 C ATOM 1193 O VAL A 154 -6.779 4.044 -4.478 1.00 0.00 O ATOM 1194 CB VAL A 154 -5.279 6.400 -5.669 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.810 7.809 -5.458 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.998 6.420 -6.488 1.00 0.00 C ATOM 0 H VAL A 154 -3.935 4.205 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.754 6.447 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 154 -6.026 5.834 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.967 8.287 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.756 7.764 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.089 8.387 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -4.183 6.918 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.225 6.959 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.667 5.398 -6.671 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.971 5.583 -2.841 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.223 5.042 -2.321 1.00 0.00 C ATOM 1208 C ILE A 155 -9.332 6.091 -2.345 1.00 0.00 C ATOM 1209 O ILE A 155 -9.071 7.287 -2.208 1.00 0.00 O ATOM 1210 CB ILE A 155 -8.049 4.523 -0.881 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.032 3.380 -0.847 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.384 4.068 -0.314 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.124 3.415 0.363 1.00 0.00 C ATOM 0 H ILE A 155 -6.627 6.402 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.504 4.212 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.674 5.338 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.565 2.429 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.423 3.420 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.242 3.705 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -10.081 4.906 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.788 3.266 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.429 2.576 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.564 4.350 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -6.724 3.344 1.270 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.570 5.637 -2.522 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.717 6.538 -2.566 1.00 0.00 C ATOM 1227 C GLU A 156 -12.688 6.241 -1.427 1.00 0.00 C ATOM 1228 O GLU A 156 -13.911 6.244 -1.678 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.437 6.415 -3.910 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.342 7.595 -4.227 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.125 7.398 -5.511 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.211 6.784 -5.456 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -13.653 7.859 -6.571 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.217 6.009 -0.294 1.00 0.00 O ATOM 0 H GLU A 156 -10.804 4.651 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.350 7.558 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.695 6.314 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -13.031 5.501 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.037 7.748 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.739 8.500 -4.308 1.00 0.00 H new TER 1241 GLU A 156