USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 18 SER OG : rot 140:sc= 0.144 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.135 K(o=0.28,f=-0.67!) USER MOD Set 2.1: A 77 LYS NZ :NH3+ -132:sc= 0.762 (180deg=-0.251) USER MOD Set 2.2: A 81 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.1: A 23 CYS SG : rot -113:sc= -3.6! USER MOD Set 3.2: A 97 CYS SG : rot 10:sc= -1.22 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot -13:sc= 0.175 USER MOD Single : A 14 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.72) USER MOD Single : A 22 SER OG : rot 94:sc= 0.212 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -103:sc= 0.699 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 35 MET CE :methyl -142:sc= -0.0769 (180deg=-1.28) USER MOD Single : A 40 GLN : amide:sc= 0.387 K(o=0.39,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -25:sc= 0.285 USER MOD Single : A 59 THR OG1 : rot 39:sc= 0.0873 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= 0.0637 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.043 USER MOD Single : A 75 ASN : amide:sc= 0.773 K(o=0.77,f=-6.4!) USER MOD Single : A 78 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.83) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.544 K(o=0.54,f=-4.5!) USER MOD Single : A 84 MET CE :methyl -138:sc= -0.113 (180deg=-2.76!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= -0.16 (180deg=-0.42) USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.408 USER MOD Single : A 95 TYR OH : rot 129:sc= 0.648 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.96! K(o=-2!,f=-0.89) USER MOD Single : A 117 THR OG1 : rot 170:sc= -0.0307 USER MOD Single : A 118 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.053) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 51:sc= 0.0997 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.821 3.232 -5.889 1.00 0.00 N ATOM 38 CA LEU A 3 1.657 3.667 -7.017 1.00 0.00 C ATOM 39 C LEU A 3 1.831 5.192 -6.910 1.00 0.00 C ATOM 40 O LEU A 3 0.858 5.945 -7.031 1.00 0.00 O ATOM 41 CB LEU A 3 1.021 3.224 -8.379 1.00 0.00 C ATOM 42 CG LEU A 3 1.849 3.453 -9.706 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.803 4.918 -10.194 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.311 2.963 -9.562 1.00 0.00 C ATOM 0 HA LEU A 3 2.640 3.197 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.794 2.160 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.070 3.746 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 3 1.364 2.848 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.389 5.016 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.770 5.203 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.218 5.571 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.847 3.138 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.800 3.509 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.317 1.897 -9.335 1.00 0.00 H new ATOM 56 N GLN A 4 3.075 5.620 -6.651 1.00 0.00 N ATOM 57 CA GLN A 4 3.457 7.033 -6.507 1.00 0.00 C ATOM 58 C GLN A 4 4.464 7.387 -7.606 1.00 0.00 C ATOM 59 O GLN A 4 5.391 6.611 -7.867 1.00 0.00 O ATOM 60 CB GLN A 4 4.092 7.272 -5.112 1.00 0.00 C ATOM 61 CG GLN A 4 3.189 6.891 -3.930 1.00 0.00 C ATOM 62 CD GLN A 4 3.885 7.046 -2.574 1.00 0.00 C ATOM 63 OE1 GLN A 4 4.532 6.118 -2.086 1.00 0.00 O ATOM 64 NE2 GLN A 4 3.747 8.207 -1.951 1.00 0.00 N ATOM 0 H GLN A 4 3.861 4.980 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 4 2.573 7.664 -6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.018 6.701 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.360 8.325 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.295 7.514 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.861 5.858 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.205 8.956 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.183 8.352 -1.040 1.00 0.00 H new ATOM 73 N LEU A 5 4.254 8.532 -8.271 1.00 0.00 N ATOM 74 CA LEU A 5 5.167 9.066 -9.299 1.00 0.00 C ATOM 75 C LEU A 5 5.443 10.557 -9.014 1.00 0.00 C ATOM 76 O LEU A 5 4.509 11.366 -8.953 1.00 0.00 O ATOM 77 CB LEU A 5 4.561 8.863 -10.715 1.00 0.00 C ATOM 78 CG LEU A 5 4.411 7.384 -11.205 1.00 0.00 C ATOM 79 CD1 LEU A 5 3.608 7.300 -12.520 1.00 0.00 C ATOM 80 CD2 LEU A 5 5.790 6.700 -11.359 1.00 0.00 C ATOM 0 H LEU A 5 3.437 9.122 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 5 6.113 8.526 -9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.577 9.331 -10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.183 9.399 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 5 3.851 6.847 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.524 6.258 -12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.611 7.713 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.120 7.869 -13.296 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.651 5.674 -11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.388 7.247 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.304 6.696 -10.398 1.00 0.00 H new ATOM 92 N VAL A 6 6.731 10.899 -8.814 1.00 0.00 N ATOM 93 CA VAL A 6 7.195 12.274 -8.566 1.00 0.00 C ATOM 94 C VAL A 6 7.717 12.859 -9.887 1.00 0.00 C ATOM 95 O VAL A 6 8.810 12.512 -10.342 1.00 0.00 O ATOM 96 CB VAL A 6 8.325 12.325 -7.467 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.677 13.791 -7.085 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.919 11.496 -6.224 1.00 0.00 C ATOM 0 H VAL A 6 7.488 10.216 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 6 6.358 12.863 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 6 9.225 11.877 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.459 13.791 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.029 14.323 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.790 14.288 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.713 11.545 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.999 11.900 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.759 10.458 -6.515 1.00 0.00 H new ATOM 108 N GLU A 7 6.922 13.747 -10.487 1.00 0.00 N ATOM 109 CA GLU A 7 7.133 14.222 -11.864 1.00 0.00 C ATOM 110 C GLU A 7 7.713 15.647 -11.878 1.00 0.00 C ATOM 111 O GLU A 7 7.453 16.438 -10.962 1.00 0.00 O ATOM 112 CB GLU A 7 5.781 14.148 -12.600 1.00 0.00 C ATOM 113 CG GLU A 7 5.849 14.264 -14.126 1.00 0.00 C ATOM 114 CD GLU A 7 4.517 13.859 -14.765 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.531 14.602 -14.600 1.00 0.00 O ATOM 116 OE2 GLU A 7 4.444 12.776 -15.377 1.00 0.00 O ATOM 0 H GLU A 7 6.108 14.162 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 7 7.863 13.592 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.301 13.202 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.138 14.943 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.095 15.288 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.648 13.629 -14.508 1.00 0.00 H new ATOM 123 N SER A 8 8.485 15.965 -12.931 1.00 0.00 N ATOM 124 CA SER A 8 9.193 17.253 -13.067 1.00 0.00 C ATOM 125 C SER A 8 9.506 17.560 -14.544 1.00 0.00 C ATOM 126 O SER A 8 9.338 16.703 -15.426 1.00 0.00 O ATOM 127 CB SER A 8 10.490 17.236 -12.216 1.00 0.00 C ATOM 128 OG SER A 8 11.314 16.126 -12.538 1.00 0.00 O ATOM 0 H SER A 8 8.637 15.333 -13.717 1.00 0.00 H new ATOM 0 HA SER A 8 8.544 18.047 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.044 18.160 -12.379 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.231 17.202 -11.158 1.00 0.00 H new ATOM 0 HG SER A 8 10.803 15.484 -13.073 1.00 0.00 H new ATOM 134 N GLY A 9 9.975 18.798 -14.790 1.00 0.00 N ATOM 135 CA GLY A 9 10.271 19.296 -16.136 1.00 0.00 C ATOM 136 C GLY A 9 9.260 20.344 -16.601 1.00 0.00 C ATOM 137 O GLY A 9 9.393 20.893 -17.700 1.00 0.00 O ATOM 0 H GLY A 9 10.158 19.480 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.272 19.728 -16.149 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.275 18.462 -16.837 1.00 0.00 H new ATOM 141 N GLY A 10 8.250 20.618 -15.754 1.00 0.00 N ATOM 142 CA GLY A 10 7.170 21.557 -16.077 1.00 0.00 C ATOM 143 C GLY A 10 7.615 23.016 -16.139 1.00 0.00 C ATOM 144 O GLY A 10 8.136 23.552 -15.155 1.00 0.00 O ATOM 0 H GLY A 10 8.164 20.194 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.736 21.279 -17.037 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.382 21.459 -15.330 1.00 0.00 H new ATOM 148 N GLY A 11 7.427 23.643 -17.316 1.00 0.00 N ATOM 149 CA GLY A 11 7.715 25.063 -17.519 1.00 0.00 C ATOM 150 C GLY A 11 7.417 25.501 -18.938 1.00 0.00 C ATOM 151 O GLY A 11 6.993 24.683 -19.769 1.00 0.00 O ATOM 0 H GLY A 11 7.071 23.173 -18.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.122 25.657 -16.823 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.763 25.257 -17.291 1.00 0.00 H new ATOM 155 N LEU A 12 7.638 26.796 -19.228 1.00 0.00 N ATOM 156 CA LEU A 12 7.402 27.355 -20.567 1.00 0.00 C ATOM 157 C LEU A 12 8.654 27.199 -21.436 1.00 0.00 C ATOM 158 O LEU A 12 9.753 27.561 -21.020 1.00 0.00 O ATOM 159 CB LEU A 12 6.940 28.844 -20.494 1.00 0.00 C ATOM 160 CG LEU A 12 6.477 29.529 -21.849 1.00 0.00 C ATOM 161 CD1 LEU A 12 5.416 30.626 -21.597 1.00 0.00 C ATOM 162 CD2 LEU A 12 7.667 30.138 -22.650 1.00 0.00 C ATOM 0 H LEU A 12 7.981 27.475 -18.549 1.00 0.00 H new ATOM 0 HA LEU A 12 6.591 26.794 -21.031 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.115 28.907 -19.785 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.760 29.432 -20.082 1.00 0.00 H new ATOM 0 HG LEU A 12 6.037 28.732 -22.448 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.122 31.073 -22.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.542 30.184 -21.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.835 31.395 -20.948 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.293 30.593 -23.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.163 30.897 -22.044 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.378 29.351 -22.900 1.00 0.00 H new ATOM 174 N VAL A 13 8.468 26.634 -22.633 1.00 0.00 N ATOM 175 CA VAL A 13 9.459 26.648 -23.722 1.00 0.00 C ATOM 176 C VAL A 13 8.817 27.344 -24.935 1.00 0.00 C ATOM 177 O VAL A 13 7.587 27.359 -25.064 1.00 0.00 O ATOM 178 CB VAL A 13 9.945 25.190 -24.104 1.00 0.00 C ATOM 179 CG1 VAL A 13 10.646 24.500 -22.904 1.00 0.00 C ATOM 180 CG2 VAL A 13 8.776 24.319 -24.632 1.00 0.00 C ATOM 0 H VAL A 13 7.609 26.144 -22.880 1.00 0.00 H new ATOM 0 HA VAL A 13 10.346 27.189 -23.394 1.00 0.00 H new ATOM 0 HB VAL A 13 10.673 25.292 -24.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.969 23.501 -23.197 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.513 25.087 -22.602 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.949 24.426 -22.069 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.147 23.326 -24.884 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.008 24.235 -23.863 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.349 24.783 -25.521 1.00 0.00 H new ATOM 190 N GLN A 14 9.639 27.961 -25.791 1.00 0.00 N ATOM 191 CA GLN A 14 9.159 28.570 -27.049 1.00 0.00 C ATOM 192 C GLN A 14 8.907 27.464 -28.099 1.00 0.00 C ATOM 193 O GLN A 14 9.555 26.400 -28.058 1.00 0.00 O ATOM 194 CB GLN A 14 10.161 29.637 -27.609 1.00 0.00 C ATOM 195 CG GLN A 14 11.518 29.099 -28.144 1.00 0.00 C ATOM 196 CD GLN A 14 12.466 28.563 -27.062 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.268 29.308 -26.501 1.00 0.00 O ATOM 198 NE2 GLN A 14 12.355 27.282 -26.737 1.00 0.00 N ATOM 0 H GLN A 14 10.643 28.055 -25.640 1.00 0.00 H new ATOM 0 HA GLN A 14 8.226 29.090 -26.833 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.667 30.179 -28.415 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.368 30.359 -26.819 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.320 28.303 -28.862 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.022 29.899 -28.686 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.680 26.690 -27.221 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.944 26.889 -26.003 1.00 0.00 H new ATOM 207 N ALA A 15 7.951 27.724 -29.016 1.00 0.00 N ATOM 208 CA ALA A 15 7.656 26.839 -30.161 1.00 0.00 C ATOM 209 C ALA A 15 8.903 26.675 -31.054 1.00 0.00 C ATOM 210 O ALA A 15 9.526 27.666 -31.444 1.00 0.00 O ATOM 211 CB ALA A 15 6.466 27.386 -30.970 1.00 0.00 C ATOM 0 H ALA A 15 7.361 28.556 -28.982 1.00 0.00 H new ATOM 0 HA ALA A 15 7.383 25.855 -29.779 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.261 26.722 -31.810 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.586 27.442 -30.330 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.707 28.381 -31.344 1.00 0.00 H new ATOM 217 N GLY A 16 9.271 25.416 -31.330 1.00 0.00 N ATOM 218 CA GLY A 16 10.484 25.071 -32.071 1.00 0.00 C ATOM 219 C GLY A 16 11.539 24.462 -31.158 1.00 0.00 C ATOM 220 O GLY A 16 12.383 23.677 -31.608 1.00 0.00 O ATOM 0 H GLY A 16 8.727 24.603 -31.041 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.238 24.367 -32.866 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.886 25.964 -32.549 1.00 0.00 H new ATOM 224 N GLY A 17 11.471 24.818 -29.861 1.00 0.00 N ATOM 225 CA GLY A 17 12.384 24.297 -28.847 1.00 0.00 C ATOM 226 C GLY A 17 12.004 22.900 -28.351 1.00 0.00 C ATOM 227 O GLY A 17 11.012 22.312 -28.802 1.00 0.00 O ATOM 0 H GLY A 17 10.780 25.474 -29.496 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.393 24.267 -29.258 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.405 24.983 -28.000 1.00 0.00 H new ATOM 231 N SER A 18 12.799 22.379 -27.407 1.00 0.00 N ATOM 232 CA SER A 18 12.638 21.025 -26.848 1.00 0.00 C ATOM 233 C SER A 18 12.420 21.091 -25.325 1.00 0.00 C ATOM 234 O SER A 18 12.691 22.121 -24.693 1.00 0.00 O ATOM 235 CB SER A 18 13.897 20.187 -27.173 1.00 0.00 C ATOM 236 OG SER A 18 14.172 20.207 -28.563 1.00 0.00 O ATOM 0 H SER A 18 13.583 22.891 -27.003 1.00 0.00 H new ATOM 0 HA SER A 18 11.763 20.555 -27.296 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.752 20.580 -26.623 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.750 19.159 -26.842 1.00 0.00 H new ATOM 0 HG SER A 18 15.139 20.280 -28.704 1.00 0.00 H new ATOM 242 N LEU A 19 11.947 19.974 -24.750 1.00 0.00 N ATOM 243 CA LEU A 19 11.723 19.836 -23.302 1.00 0.00 C ATOM 244 C LEU A 19 11.681 18.351 -22.917 1.00 0.00 C ATOM 245 O LEU A 19 10.880 17.587 -23.462 1.00 0.00 O ATOM 246 CB LEU A 19 10.405 20.547 -22.874 1.00 0.00 C ATOM 247 CG LEU A 19 10.078 20.530 -21.344 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.231 21.139 -20.511 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.737 21.249 -21.055 1.00 0.00 C ATOM 0 H LEU A 19 11.708 19.136 -25.280 1.00 0.00 H new ATOM 0 HA LEU A 19 12.550 20.314 -22.777 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.453 21.585 -23.203 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.576 20.082 -23.407 1.00 0.00 H new ATOM 0 HG LEU A 19 9.972 19.488 -21.041 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.970 21.111 -19.453 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.142 20.563 -20.675 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.395 22.172 -20.817 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.533 21.223 -19.984 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.801 22.285 -21.387 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.932 20.746 -21.590 1.00 0.00 H new ATOM 261 N ARG A 20 12.553 17.951 -21.975 1.00 0.00 N ATOM 262 CA ARG A 20 12.545 16.602 -21.398 1.00 0.00 C ATOM 263 C ARG A 20 11.825 16.627 -20.039 1.00 0.00 C ATOM 264 O ARG A 20 12.112 17.469 -19.185 1.00 0.00 O ATOM 265 CB ARG A 20 13.985 16.045 -21.225 1.00 0.00 C ATOM 266 CG ARG A 20 14.034 14.605 -20.651 1.00 0.00 C ATOM 267 CD ARG A 20 15.466 14.083 -20.451 1.00 0.00 C ATOM 268 NE ARG A 20 16.216 14.014 -21.719 1.00 0.00 N ATOM 269 CZ ARG A 20 17.457 13.524 -21.863 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.143 13.071 -20.819 1.00 0.00 N ATOM 271 NH2 ARG A 20 18.009 13.503 -23.060 1.00 0.00 N ATOM 0 H ARG A 20 13.281 18.556 -21.595 1.00 0.00 H new ATOM 0 HA ARG A 20 12.015 15.943 -22.085 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.488 16.058 -22.192 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.544 16.708 -20.565 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.509 14.583 -19.696 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.500 13.934 -21.324 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.994 14.733 -19.754 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.430 13.092 -19.998 1.00 0.00 H new ATOM 0 HE ARG A 20 15.753 14.368 -22.556 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.727 13.092 -19.888 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.085 12.702 -20.949 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.493 13.857 -23.866 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.952 13.133 -23.180 1.00 0.00 H new ATOM 285 N LEU A 21 10.872 15.707 -19.874 1.00 0.00 N ATOM 286 CA LEU A 21 10.194 15.439 -18.604 1.00 0.00 C ATOM 287 C LEU A 21 10.879 14.249 -17.912 1.00 0.00 C ATOM 288 O LEU A 21 11.486 13.398 -18.580 1.00 0.00 O ATOM 289 CB LEU A 21 8.683 15.135 -18.834 1.00 0.00 C ATOM 290 CG LEU A 21 7.793 16.292 -19.411 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.957 17.588 -18.599 1.00 0.00 C ATOM 292 CD2 LEU A 21 8.049 16.533 -20.914 1.00 0.00 C ATOM 0 H LEU A 21 10.543 15.115 -20.636 1.00 0.00 H new ATOM 0 HA LEU A 21 10.263 16.322 -17.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.610 14.284 -19.511 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.254 14.822 -17.882 1.00 0.00 H new ATOM 0 HG LEU A 21 6.756 15.969 -19.314 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.326 18.368 -19.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.662 17.409 -17.565 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.999 17.907 -18.629 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.410 17.343 -21.267 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.094 16.803 -21.066 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.824 15.624 -21.472 1.00 0.00 H new ATOM 304 N SER A 22 10.772 14.196 -16.582 1.00 0.00 N ATOM 305 CA SER A 22 11.367 13.133 -15.757 1.00 0.00 C ATOM 306 C SER A 22 10.410 12.821 -14.593 1.00 0.00 C ATOM 307 O SER A 22 9.984 13.734 -13.883 1.00 0.00 O ATOM 308 CB SER A 22 12.760 13.584 -15.243 1.00 0.00 C ATOM 309 OG SER A 22 13.421 12.545 -14.536 1.00 0.00 O ATOM 0 H SER A 22 10.265 14.895 -16.039 1.00 0.00 H new ATOM 0 HA SER A 22 11.511 12.227 -16.346 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.375 13.898 -16.086 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.645 14.451 -14.592 1.00 0.00 H new ATOM 0 HG SER A 22 14.006 12.053 -15.149 1.00 0.00 H new ATOM 315 N CYS A 23 10.081 11.532 -14.403 1.00 0.00 N ATOM 316 CA CYS A 23 9.054 11.088 -13.442 1.00 0.00 C ATOM 317 C CYS A 23 9.544 9.839 -12.684 1.00 0.00 C ATOM 318 O CYS A 23 9.573 8.739 -13.236 1.00 0.00 O ATOM 319 CB CYS A 23 7.730 10.802 -14.196 1.00 0.00 C ATOM 320 SG CYS A 23 6.299 10.518 -13.133 1.00 0.00 S ATOM 0 H CYS A 23 10.521 10.765 -14.913 1.00 0.00 H new ATOM 0 HA CYS A 23 8.872 11.875 -12.710 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.514 11.643 -14.855 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.872 9.928 -14.832 1.00 0.00 H new ATOM 0 HG CYS A 23 5.909 9.284 -13.251 1.00 0.00 H new ATOM 326 N VAL A 24 9.944 10.027 -11.419 1.00 0.00 N ATOM 327 CA VAL A 24 10.533 8.964 -10.578 1.00 0.00 C ATOM 328 C VAL A 24 9.418 8.136 -9.905 1.00 0.00 C ATOM 329 O VAL A 24 8.382 8.677 -9.548 1.00 0.00 O ATOM 330 CB VAL A 24 11.474 9.578 -9.474 1.00 0.00 C ATOM 331 CG1 VAL A 24 12.284 8.478 -8.741 1.00 0.00 C ATOM 332 CG2 VAL A 24 12.414 10.655 -10.071 1.00 0.00 C ATOM 0 H VAL A 24 9.869 10.926 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 24 11.127 8.315 -11.222 1.00 0.00 H new ATOM 0 HB VAL A 24 10.835 10.064 -8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.922 8.938 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.598 7.781 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.902 7.941 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.050 11.059 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.036 10.206 -10.846 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.818 11.458 -10.504 1.00 0.00 H new ATOM 342 N ALA A 25 9.644 6.823 -9.730 1.00 0.00 N ATOM 343 CA ALA A 25 8.667 5.915 -9.111 1.00 0.00 C ATOM 344 C ALA A 25 8.887 5.861 -7.589 1.00 0.00 C ATOM 345 O ALA A 25 9.796 5.160 -7.118 1.00 0.00 O ATOM 346 CB ALA A 25 8.765 4.519 -9.758 1.00 0.00 C ATOM 0 H ALA A 25 10.509 6.363 -10.014 1.00 0.00 H new ATOM 0 HA ALA A 25 7.658 6.289 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.039 3.851 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.557 4.597 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.769 4.120 -9.612 1.00 0.00 H new ATOM 352 N SER A 26 8.029 6.624 -6.858 1.00 0.00 N ATOM 353 CA SER A 26 8.025 6.795 -5.383 1.00 0.00 C ATOM 354 C SER A 26 9.381 7.308 -4.844 1.00 0.00 C ATOM 355 O SER A 26 9.517 8.487 -4.496 1.00 0.00 O ATOM 356 CB SER A 26 7.520 5.510 -4.647 1.00 0.00 C ATOM 357 OG SER A 26 8.275 4.351 -4.970 1.00 0.00 O ATOM 0 H SER A 26 7.286 7.161 -7.305 1.00 0.00 H new ATOM 0 HA SER A 26 7.303 7.580 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.561 5.675 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.475 5.339 -4.903 1.00 0.00 H new ATOM 0 HG SER A 26 7.917 3.581 -4.482 1.00 0.00 H new ATOM 363 N GLY A 27 10.369 6.410 -4.794 1.00 0.00 N ATOM 364 CA GLY A 27 11.743 6.739 -4.436 1.00 0.00 C ATOM 365 C GLY A 27 12.696 6.048 -5.393 1.00 0.00 C ATOM 366 O GLY A 27 13.397 6.710 -6.167 1.00 0.00 O ATOM 0 H GLY A 27 10.230 5.422 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.891 7.818 -4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.948 6.425 -3.412 1.00 0.00 H new ATOM 370 N ARG A 28 12.694 4.699 -5.356 1.00 0.00 N ATOM 371 CA ARG A 28 13.462 3.854 -6.293 1.00 0.00 C ATOM 372 C ARG A 28 12.888 2.410 -6.277 1.00 0.00 C ATOM 373 O ARG A 28 13.615 1.415 -6.351 1.00 0.00 O ATOM 374 CB ARG A 28 14.986 3.899 -5.930 1.00 0.00 C ATOM 375 CG ARG A 28 15.923 3.213 -6.958 1.00 0.00 C ATOM 376 CD ARG A 28 17.417 3.423 -6.666 1.00 0.00 C ATOM 377 NE ARG A 28 17.814 4.829 -6.862 1.00 0.00 N ATOM 378 CZ ARG A 28 18.939 5.394 -6.403 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.789 4.715 -5.651 1.00 0.00 N ATOM 380 NH2 ARG A 28 19.195 6.656 -6.687 1.00 0.00 N ATOM 0 H ARG A 28 12.158 4.164 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 28 13.366 4.235 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.288 4.941 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.127 3.425 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.711 2.144 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.699 3.596 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.634 3.122 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.010 2.782 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 28 17.177 5.423 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.594 3.743 -5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.640 5.163 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.539 7.195 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.049 7.093 -6.341 1.00 0.00 H new ATOM 394 N THR A 29 11.555 2.299 -6.203 1.00 0.00 N ATOM 395 CA THR A 29 10.855 0.997 -6.257 1.00 0.00 C ATOM 396 C THR A 29 10.144 0.843 -7.612 1.00 0.00 C ATOM 397 O THR A 29 9.730 1.835 -8.221 1.00 0.00 O ATOM 398 CB THR A 29 9.835 0.860 -5.076 1.00 0.00 C ATOM 399 OG1 THR A 29 10.522 1.065 -3.834 1.00 0.00 O ATOM 400 CG2 THR A 29 9.143 -0.520 -5.027 1.00 0.00 C ATOM 0 H THR A 29 10.930 3.099 -6.105 1.00 0.00 H new ATOM 0 HA THR A 29 11.591 0.200 -6.153 1.00 0.00 H new ATOM 0 HB THR A 29 9.062 1.611 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.888 0.982 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.449 -0.550 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.596 -0.686 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.895 -1.300 -4.905 1.00 0.00 H new ATOM 408 N PHE A 30 9.994 -0.410 -8.063 1.00 0.00 N ATOM 409 CA PHE A 30 9.343 -0.748 -9.334 1.00 0.00 C ATOM 410 C PHE A 30 7.954 -1.321 -9.042 1.00 0.00 C ATOM 411 O PHE A 30 7.806 -2.244 -8.234 1.00 0.00 O ATOM 412 CB PHE A 30 10.208 -1.753 -10.154 1.00 0.00 C ATOM 413 CG PHE A 30 10.620 -3.042 -9.426 1.00 0.00 C ATOM 414 CD1 PHE A 30 11.668 -3.043 -8.500 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.965 -4.252 -9.673 1.00 0.00 C ATOM 416 CE1 PHE A 30 12.040 -4.203 -7.846 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.338 -5.410 -9.018 1.00 0.00 C ATOM 418 CZ PHE A 30 11.375 -5.387 -8.105 1.00 0.00 C ATOM 0 H PHE A 30 10.326 -1.226 -7.549 1.00 0.00 H new ATOM 0 HA PHE A 30 9.239 0.152 -9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.655 -2.028 -11.052 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.112 -1.240 -10.481 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.195 -2.123 -8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.155 -4.282 -10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.850 -4.184 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.818 -6.335 -9.220 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.666 -6.293 -7.594 1.00 0.00 H new ATOM 428 N ARG A 31 6.941 -0.724 -9.677 1.00 0.00 N ATOM 429 CA ARG A 31 5.537 -1.137 -9.547 1.00 0.00 C ATOM 430 C ARG A 31 4.795 -0.806 -10.847 1.00 0.00 C ATOM 431 O ARG A 31 5.123 0.193 -11.498 1.00 0.00 O ATOM 432 CB ARG A 31 4.867 -0.431 -8.334 1.00 0.00 C ATOM 433 CG ARG A 31 3.376 -0.789 -8.142 1.00 0.00 C ATOM 434 CD ARG A 31 2.728 -0.088 -6.948 1.00 0.00 C ATOM 435 NE ARG A 31 1.275 -0.341 -6.915 1.00 0.00 N ATOM 436 CZ ARG A 31 0.532 -0.462 -5.815 1.00 0.00 C ATOM 437 NH1 ARG A 31 1.070 -0.387 -4.612 1.00 0.00 N ATOM 438 NH2 ARG A 31 -0.756 -0.664 -5.925 1.00 0.00 N ATOM 0 H ARG A 31 7.073 0.070 -10.304 1.00 0.00 H new ATOM 0 HA ARG A 31 5.491 -2.212 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.412 -0.693 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.958 0.648 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.828 -0.527 -9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.283 -1.867 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.184 -0.441 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.913 0.985 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 31 0.797 -0.431 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.073 -0.234 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.482 -0.482 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.185 -0.728 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.331 -0.758 -5.088 1.00 0.00 H new ATOM 452 N SER A 32 3.806 -1.662 -11.195 1.00 0.00 N ATOM 453 CA SER A 32 2.953 -1.534 -12.389 1.00 0.00 C ATOM 454 C SER A 32 3.776 -1.712 -13.685 1.00 0.00 C ATOM 455 O SER A 32 4.654 -0.896 -14.006 1.00 0.00 O ATOM 456 CB SER A 32 2.168 -0.190 -12.396 1.00 0.00 C ATOM 457 OG SER A 32 1.230 -0.133 -13.463 1.00 0.00 O ATOM 0 H SER A 32 3.577 -2.482 -10.634 1.00 0.00 H new ATOM 0 HA SER A 32 2.216 -2.336 -12.350 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.647 -0.068 -11.447 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.869 0.640 -12.483 1.00 0.00 H new ATOM 0 HG SER A 32 1.586 0.431 -14.181 1.00 0.00 H new ATOM 463 N ASN A 33 3.469 -2.781 -14.437 1.00 0.00 N ATOM 464 CA ASN A 33 4.146 -3.101 -15.710 1.00 0.00 C ATOM 465 C ASN A 33 3.577 -2.262 -16.874 1.00 0.00 C ATOM 466 O ASN A 33 3.911 -2.505 -18.030 1.00 0.00 O ATOM 467 CB ASN A 33 4.023 -4.622 -16.014 1.00 0.00 C ATOM 468 CG ASN A 33 4.666 -5.506 -14.938 1.00 0.00 C ATOM 469 OD1 ASN A 33 5.600 -5.095 -14.250 1.00 0.00 O ATOM 470 ND2 ASN A 33 4.186 -6.734 -14.797 1.00 0.00 N ATOM 0 H ASN A 33 2.743 -3.451 -14.181 1.00 0.00 H new ATOM 0 HA ASN A 33 5.201 -2.848 -15.608 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.969 -4.883 -16.108 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.491 -4.833 -16.976 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.592 -7.364 -14.105 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.411 -7.049 -15.381 1.00 0.00 H new ATOM 477 N ALA A 34 2.706 -1.284 -16.554 1.00 0.00 N ATOM 478 CA ALA A 34 2.204 -0.295 -17.519 1.00 0.00 C ATOM 479 C ALA A 34 2.324 1.117 -16.911 1.00 0.00 C ATOM 480 O ALA A 34 1.750 1.388 -15.859 1.00 0.00 O ATOM 481 CB ALA A 34 0.741 -0.622 -17.887 1.00 0.00 C ATOM 0 H ALA A 34 2.331 -1.161 -15.613 1.00 0.00 H new ATOM 0 HA ALA A 34 2.798 -0.330 -18.432 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.373 0.113 -18.602 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.691 -1.616 -18.330 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.125 -0.594 -16.988 1.00 0.00 H new ATOM 487 N MET A 35 3.095 1.992 -17.580 1.00 0.00 N ATOM 488 CA MET A 35 3.237 3.425 -17.243 1.00 0.00 C ATOM 489 C MET A 35 3.199 4.201 -18.562 1.00 0.00 C ATOM 490 O MET A 35 4.066 3.993 -19.403 1.00 0.00 O ATOM 491 CB MET A 35 4.594 3.712 -16.516 1.00 0.00 C ATOM 492 CG MET A 35 4.727 3.153 -15.094 1.00 0.00 C ATOM 493 SD MET A 35 6.356 3.503 -14.384 1.00 0.00 S ATOM 494 CE MET A 35 6.147 2.984 -12.682 1.00 0.00 C ATOM 0 H MET A 35 3.651 1.719 -18.390 1.00 0.00 H new ATOM 0 HA MET A 35 2.434 3.725 -16.570 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.402 3.303 -17.123 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.741 4.791 -16.476 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.953 3.585 -14.460 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.561 2.076 -15.110 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.678 3.672 -12.024 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.087 2.985 -12.429 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.549 1.979 -12.556 1.00 0.00 H new ATOM 504 N GLY A 36 2.230 5.108 -18.732 1.00 0.00 N ATOM 505 CA GLY A 36 2.017 5.788 -20.016 1.00 0.00 C ATOM 506 C GLY A 36 2.033 7.295 -19.894 1.00 0.00 C ATOM 507 O GLY A 36 1.542 7.831 -18.914 1.00 0.00 O ATOM 0 H GLY A 36 1.581 5.388 -17.997 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.790 5.477 -20.719 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.061 5.473 -20.434 1.00 0.00 H new ATOM 511 N TRP A 37 2.604 7.982 -20.894 1.00 0.00 N ATOM 512 CA TRP A 37 2.591 9.450 -20.962 1.00 0.00 C ATOM 513 C TRP A 37 1.296 9.914 -21.639 1.00 0.00 C ATOM 514 O TRP A 37 1.005 9.551 -22.786 1.00 0.00 O ATOM 515 CB TRP A 37 3.835 9.994 -21.711 1.00 0.00 C ATOM 516 CG TRP A 37 5.123 9.823 -20.935 1.00 0.00 C ATOM 517 CD1 TRP A 37 6.010 8.791 -21.023 1.00 0.00 C ATOM 518 CD2 TRP A 37 5.648 10.713 -19.933 1.00 0.00 C ATOM 519 NE1 TRP A 37 7.067 9.002 -20.178 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.862 10.165 -19.486 1.00 0.00 C ATOM 521 CE3 TRP A 37 5.213 11.929 -19.381 1.00 0.00 C ATOM 522 CZ2 TRP A 37 7.652 10.783 -18.516 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.993 12.540 -18.415 1.00 0.00 C ATOM 524 CH2 TRP A 37 7.204 11.966 -17.992 1.00 0.00 C ATOM 0 H TRP A 37 3.086 7.538 -21.675 1.00 0.00 H new ATOM 0 HA TRP A 37 2.630 9.849 -19.948 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.926 9.483 -22.669 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.687 11.052 -21.927 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.895 7.931 -21.666 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.877 8.390 -20.080 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.286 12.379 -19.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.583 10.344 -18.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.666 13.473 -17.979 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.793 12.468 -17.239 1.00 0.00 H new ATOM 535 N PHE A 38 0.501 10.662 -20.875 1.00 0.00 N ATOM 536 CA PHE A 38 -0.733 11.308 -21.329 1.00 0.00 C ATOM 537 C PHE A 38 -0.563 12.828 -21.207 1.00 0.00 C ATOM 538 O PHE A 38 0.427 13.308 -20.639 1.00 0.00 O ATOM 539 CB PHE A 38 -1.948 10.828 -20.478 1.00 0.00 C ATOM 540 CG PHE A 38 -2.306 9.348 -20.654 1.00 0.00 C ATOM 541 CD1 PHE A 38 -1.525 8.348 -20.077 1.00 0.00 C ATOM 542 CD2 PHE A 38 -3.425 8.960 -21.387 1.00 0.00 C ATOM 543 CE1 PHE A 38 -1.849 7.013 -20.229 1.00 0.00 C ATOM 544 CE2 PHE A 38 -3.747 7.626 -21.538 1.00 0.00 C ATOM 545 CZ PHE A 38 -2.959 6.651 -20.959 1.00 0.00 C ATOM 0 H PHE A 38 0.703 10.842 -19.892 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.926 11.039 -22.368 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.733 11.014 -19.426 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.818 11.432 -20.737 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.653 8.621 -19.502 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.050 9.713 -21.844 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.231 6.253 -19.775 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.618 7.344 -22.111 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.212 5.608 -21.078 1.00 0.00 H new ATOM 555 N ARG A 39 -1.529 13.582 -21.747 1.00 0.00 N ATOM 556 CA ARG A 39 -1.581 15.045 -21.595 1.00 0.00 C ATOM 557 C ARG A 39 -3.033 15.526 -21.646 1.00 0.00 C ATOM 558 O ARG A 39 -3.785 15.159 -22.543 1.00 0.00 O ATOM 559 CB ARG A 39 -0.739 15.763 -22.681 1.00 0.00 C ATOM 560 CG ARG A 39 -1.215 15.531 -24.133 1.00 0.00 C ATOM 561 CD ARG A 39 -0.387 16.317 -25.141 1.00 0.00 C ATOM 562 NE ARG A 39 -0.814 16.086 -26.522 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.277 16.692 -27.593 1.00 0.00 C ATOM 564 NH1 ARG A 39 0.756 17.516 -27.461 1.00 0.00 N ATOM 565 NH2 ARG A 39 -0.765 16.447 -28.795 1.00 0.00 N ATOM 0 H ARG A 39 -2.295 13.198 -22.300 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.152 15.296 -20.625 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.748 16.834 -22.478 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.296 15.431 -22.596 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.157 14.468 -24.367 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.262 15.820 -24.221 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.460 17.381 -24.915 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.662 16.041 -25.038 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.570 15.420 -26.681 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.151 17.695 -26.538 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.155 17.970 -28.283 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.546 15.800 -28.906 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.361 16.904 -29.612 1.00 0.00 H new ATOM 579 N GLN A 40 -3.422 16.350 -20.685 1.00 0.00 N ATOM 580 CA GLN A 40 -4.763 16.937 -20.635 1.00 0.00 C ATOM 581 C GLN A 40 -4.648 18.438 -20.921 1.00 0.00 C ATOM 582 O GLN A 40 -3.840 19.138 -20.307 1.00 0.00 O ATOM 583 CB GLN A 40 -5.404 16.654 -19.249 1.00 0.00 C ATOM 584 CG GLN A 40 -6.833 17.197 -19.073 1.00 0.00 C ATOM 585 CD GLN A 40 -7.500 16.783 -17.754 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.835 16.580 -16.737 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.822 16.655 -17.763 1.00 0.00 N ATOM 0 H GLN A 40 -2.819 16.635 -19.913 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.412 16.492 -21.389 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.418 15.577 -19.084 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.769 17.087 -18.476 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.807 18.285 -19.129 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.447 16.850 -19.904 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.345 16.830 -18.621 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.314 16.382 -16.912 1.00 0.00 H new ATOM 596 N ALA A 41 -5.457 18.918 -21.871 1.00 0.00 N ATOM 597 CA ALA A 41 -5.500 20.338 -22.261 1.00 0.00 C ATOM 598 C ALA A 41 -6.616 21.061 -21.471 1.00 0.00 C ATOM 599 O ALA A 41 -7.532 20.389 -20.978 1.00 0.00 O ATOM 600 CB ALA A 41 -5.707 20.446 -23.785 1.00 0.00 C ATOM 0 H ALA A 41 -6.106 18.332 -22.396 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.556 20.825 -22.018 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.739 21.496 -24.074 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.883 19.953 -24.300 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.646 19.965 -24.060 1.00 0.00 H new ATOM 606 N PRO A 42 -6.530 22.428 -21.286 1.00 0.00 N ATOM 607 CA PRO A 42 -7.593 23.218 -20.604 1.00 0.00 C ATOM 608 C PRO A 42 -8.998 23.025 -21.238 1.00 0.00 C ATOM 609 O PRO A 42 -9.257 23.495 -22.355 1.00 0.00 O ATOM 610 CB PRO A 42 -7.099 24.687 -20.744 1.00 0.00 C ATOM 611 CG PRO A 42 -5.612 24.567 -20.882 1.00 0.00 C ATOM 612 CD PRO A 42 -5.375 23.297 -21.671 1.00 0.00 C ATOM 0 HA PRO A 42 -7.730 22.905 -19.569 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.541 25.174 -21.613 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.371 25.283 -19.872 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.196 25.432 -21.398 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.131 24.517 -19.905 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.356 23.488 -22.744 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.422 22.836 -21.413 1.00 0.00 H new ATOM 620 N GLY A 43 -9.877 22.301 -20.523 1.00 0.00 N ATOM 621 CA GLY A 43 -11.254 22.046 -20.974 1.00 0.00 C ATOM 622 C GLY A 43 -11.412 20.736 -21.739 1.00 0.00 C ATOM 623 O GLY A 43 -12.510 20.416 -22.209 1.00 0.00 O ATOM 0 H GLY A 43 -9.654 21.879 -19.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.915 22.033 -20.107 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.578 22.870 -21.610 1.00 0.00 H new ATOM 627 N LYS A 44 -10.308 19.984 -21.873 1.00 0.00 N ATOM 628 CA LYS A 44 -10.270 18.681 -22.566 1.00 0.00 C ATOM 629 C LYS A 44 -9.938 17.560 -21.570 1.00 0.00 C ATOM 630 O LYS A 44 -9.666 17.819 -20.396 1.00 0.00 O ATOM 631 CB LYS A 44 -9.221 18.717 -23.715 1.00 0.00 C ATOM 632 CG LYS A 44 -9.438 19.804 -24.817 1.00 0.00 C ATOM 633 CD LYS A 44 -10.504 19.442 -25.901 1.00 0.00 C ATOM 634 CE LYS A 44 -11.966 19.486 -25.410 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.938 19.289 -26.509 1.00 0.00 N ATOM 0 H LYS A 44 -9.402 20.266 -21.498 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.251 18.481 -22.997 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.236 18.869 -23.274 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.208 17.739 -24.197 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.735 20.735 -24.334 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.486 19.992 -25.314 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.396 20.129 -26.740 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.292 18.442 -26.279 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.116 18.715 -24.654 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.156 20.445 -24.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.905 19.327 -26.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.816 20.039 -27.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.777 18.362 -26.953 1.00 0.00 H new ATOM 649 N GLU A 45 -10.009 16.313 -22.052 1.00 0.00 N ATOM 650 CA GLU A 45 -9.624 15.108 -21.288 1.00 0.00 C ATOM 651 C GLU A 45 -8.181 14.689 -21.635 1.00 0.00 C ATOM 652 O GLU A 45 -7.532 15.319 -22.482 1.00 0.00 O ATOM 653 CB GLU A 45 -10.605 13.959 -21.589 1.00 0.00 C ATOM 654 CG GLU A 45 -12.081 14.276 -21.292 1.00 0.00 C ATOM 655 CD GLU A 45 -12.996 13.050 -21.446 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.635 12.635 -20.452 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.039 12.465 -22.556 1.00 0.00 O ATOM 0 H GLU A 45 -10.339 16.104 -22.994 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.668 15.338 -20.223 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.511 13.686 -22.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.311 13.087 -21.005 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.168 14.663 -20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.421 15.064 -21.964 1.00 0.00 H new ATOM 664 N ARG A 46 -7.674 13.639 -20.949 1.00 0.00 N ATOM 665 CA ARG A 46 -6.298 13.141 -21.164 1.00 0.00 C ATOM 666 C ARG A 46 -6.179 12.392 -22.518 1.00 0.00 C ATOM 667 O ARG A 46 -6.944 11.468 -22.806 1.00 0.00 O ATOM 668 CB ARG A 46 -5.789 12.258 -19.965 1.00 0.00 C ATOM 669 CG ARG A 46 -6.338 10.798 -19.814 1.00 0.00 C ATOM 670 CD ARG A 46 -7.853 10.687 -19.476 1.00 0.00 C ATOM 671 NE ARG A 46 -8.724 10.612 -20.674 1.00 0.00 N ATOM 672 CZ ARG A 46 -10.071 10.625 -20.662 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.747 10.838 -19.534 1.00 0.00 N ATOM 674 NH2 ARG A 46 -10.733 10.473 -21.799 1.00 0.00 N ATOM 0 H ARG A 46 -8.197 13.121 -20.243 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.645 14.012 -21.207 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.703 12.196 -20.039 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.016 12.792 -19.042 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.150 10.259 -20.743 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.771 10.293 -19.032 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.016 9.801 -18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.147 11.548 -18.876 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.265 10.545 -21.582 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.245 10.995 -18.660 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.767 10.844 -19.544 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.223 10.348 -22.673 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.753 10.481 -21.800 1.00 0.00 H new ATOM 688 N GLU A 47 -5.244 12.848 -23.359 1.00 0.00 N ATOM 689 CA GLU A 47 -4.925 12.237 -24.647 1.00 0.00 C ATOM 690 C GLU A 47 -3.757 11.261 -24.471 1.00 0.00 C ATOM 691 O GLU A 47 -2.760 11.595 -23.814 1.00 0.00 O ATOM 692 CB GLU A 47 -4.535 13.335 -25.679 1.00 0.00 C ATOM 693 CG GLU A 47 -4.101 12.785 -27.056 1.00 0.00 C ATOM 694 CD GLU A 47 -3.679 13.879 -28.049 1.00 0.00 C ATOM 695 OE1 GLU A 47 -2.471 14.166 -28.169 1.00 0.00 O ATOM 696 OE2 GLU A 47 -4.560 14.455 -28.720 1.00 0.00 O ATOM 0 H GLU A 47 -4.677 13.671 -23.155 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.800 11.701 -25.014 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.384 14.004 -25.819 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.722 13.933 -25.267 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.271 12.093 -26.916 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.924 12.214 -27.486 1.00 0.00 H new ATOM 703 N PHE A 48 -3.893 10.069 -25.064 1.00 0.00 N ATOM 704 CA PHE A 48 -2.830 9.064 -25.106 1.00 0.00 C ATOM 705 C PHE A 48 -1.719 9.538 -26.060 1.00 0.00 C ATOM 706 O PHE A 48 -1.932 9.617 -27.277 1.00 0.00 O ATOM 707 CB PHE A 48 -3.431 7.712 -25.570 1.00 0.00 C ATOM 708 CG PHE A 48 -2.453 6.536 -25.598 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.016 5.982 -26.804 1.00 0.00 C ATOM 710 CD2 PHE A 48 -1.983 5.979 -24.414 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.143 4.914 -26.817 1.00 0.00 C ATOM 712 CE2 PHE A 48 -1.111 4.914 -24.430 1.00 0.00 C ATOM 713 CZ PHE A 48 -0.692 4.381 -25.629 1.00 0.00 C ATOM 0 H PHE A 48 -4.751 9.775 -25.531 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.394 8.928 -24.116 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.261 7.457 -24.911 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.846 7.842 -26.570 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.366 6.395 -27.738 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.307 6.388 -23.468 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.813 4.496 -27.757 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.755 4.495 -23.500 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.009 3.544 -25.638 1.00 0.00 H new ATOM 723 N VAL A 49 -0.562 9.904 -25.488 1.00 0.00 N ATOM 724 CA VAL A 49 0.635 10.288 -26.262 1.00 0.00 C ATOM 725 C VAL A 49 1.445 9.025 -26.579 1.00 0.00 C ATOM 726 O VAL A 49 1.745 8.735 -27.747 1.00 0.00 O ATOM 727 CB VAL A 49 1.538 11.319 -25.475 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.809 11.712 -26.277 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.724 12.571 -25.072 1.00 0.00 C ATOM 0 H VAL A 49 -0.427 9.943 -24.478 1.00 0.00 H new ATOM 0 HA VAL A 49 0.309 10.774 -27.182 1.00 0.00 H new ATOM 0 HB VAL A 49 1.876 10.824 -24.565 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.400 12.422 -25.698 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.405 10.821 -26.475 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.516 12.169 -27.222 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.368 13.265 -24.532 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.337 13.057 -25.968 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.107 12.274 -24.432 1.00 0.00 H new ATOM 739 N ALA A 50 1.752 8.265 -25.511 1.00 0.00 N ATOM 740 CA ALA A 50 2.647 7.103 -25.567 1.00 0.00 C ATOM 741 C ALA A 50 2.503 6.237 -24.303 1.00 0.00 C ATOM 742 O ALA A 50 1.796 6.618 -23.364 1.00 0.00 O ATOM 743 CB ALA A 50 4.095 7.580 -25.732 1.00 0.00 C ATOM 0 H ALA A 50 1.380 8.445 -24.578 1.00 0.00 H new ATOM 0 HA ALA A 50 2.372 6.488 -26.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.760 6.717 -25.774 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.186 8.153 -26.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.370 8.209 -24.885 1.00 0.00 H new ATOM 749 N ALA A 51 3.197 5.079 -24.288 1.00 0.00 N ATOM 750 CA ALA A 51 3.177 4.147 -23.151 1.00 0.00 C ATOM 751 C ALA A 51 4.385 3.198 -23.163 1.00 0.00 C ATOM 752 O ALA A 51 4.843 2.720 -24.220 1.00 0.00 O ATOM 753 CB ALA A 51 1.864 3.344 -23.094 1.00 0.00 C ATOM 0 H ALA A 51 3.783 4.769 -25.063 1.00 0.00 H new ATOM 0 HA ALA A 51 3.241 4.758 -22.251 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.888 2.667 -22.240 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.023 4.029 -22.990 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.750 2.767 -24.012 1.00 0.00 H new ATOM 759 N ILE A 52 4.874 2.944 -21.945 1.00 0.00 N ATOM 760 CA ILE A 52 5.937 2.000 -21.657 1.00 0.00 C ATOM 761 C ILE A 52 5.302 0.816 -20.919 1.00 0.00 C ATOM 762 O ILE A 52 4.803 0.977 -19.798 1.00 0.00 O ATOM 763 CB ILE A 52 7.078 2.615 -20.731 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.725 3.914 -21.341 1.00 0.00 C ATOM 765 CG2 ILE A 52 8.161 1.553 -20.420 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.901 5.185 -21.182 1.00 0.00 C ATOM 0 H ILE A 52 4.522 3.411 -21.109 1.00 0.00 H new ATOM 0 HA ILE A 52 6.406 1.712 -22.598 1.00 0.00 H new ATOM 0 HB ILE A 52 6.599 2.915 -19.799 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.698 4.070 -20.874 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.904 3.747 -22.403 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.931 1.993 -19.786 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.705 0.709 -19.903 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.611 1.208 -21.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.432 6.022 -21.635 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.937 5.058 -21.675 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.743 5.386 -20.122 1.00 0.00 H new ATOM 778 N ARG A 53 5.306 -0.356 -21.552 1.00 0.00 N ATOM 779 CA ARG A 53 4.965 -1.613 -20.886 1.00 0.00 C ATOM 780 C ARG A 53 6.279 -2.293 -20.499 1.00 0.00 C ATOM 781 O ARG A 53 7.032 -2.733 -21.384 1.00 0.00 O ATOM 782 CB ARG A 53 4.110 -2.527 -21.802 1.00 0.00 C ATOM 783 CG ARG A 53 3.734 -3.897 -21.184 1.00 0.00 C ATOM 784 CD ARG A 53 2.942 -4.777 -22.161 1.00 0.00 C ATOM 785 NE ARG A 53 2.579 -6.078 -21.576 1.00 0.00 N ATOM 786 CZ ARG A 53 2.045 -7.109 -22.251 1.00 0.00 C ATOM 787 NH1 ARG A 53 1.844 -7.042 -23.563 1.00 0.00 N ATOM 788 NH2 ARG A 53 1.723 -8.212 -21.599 1.00 0.00 N ATOM 0 H ARG A 53 5.545 -0.462 -22.538 1.00 0.00 H new ATOM 0 HA ARG A 53 4.361 -1.418 -20.000 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.193 -1.999 -22.065 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.655 -2.700 -22.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.642 -4.419 -20.882 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.144 -3.737 -20.282 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.036 -4.253 -22.465 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.534 -4.939 -23.062 1.00 0.00 H new ATOM 0 HE ARG A 53 2.746 -6.207 -20.578 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.097 -6.197 -24.075 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.437 -7.836 -24.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.881 -8.274 -20.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.317 -9.001 -22.101 1.00 0.00 H new ATOM 851 N SER A 58 7.678 -1.302 -24.569 1.00 0.00 N ATOM 852 CA SER A 58 8.053 0.026 -24.049 1.00 0.00 C ATOM 853 C SER A 58 7.991 1.125 -25.136 1.00 0.00 C ATOM 854 O SER A 58 8.801 2.065 -25.132 1.00 0.00 O ATOM 855 CB SER A 58 9.472 -0.102 -23.444 1.00 0.00 C ATOM 856 OG SER A 58 10.362 -0.767 -24.337 1.00 0.00 O ATOM 0 HA SER A 58 7.339 0.339 -23.287 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.861 0.890 -23.212 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.420 -0.652 -22.504 1.00 0.00 H new ATOM 0 HG SER A 58 9.849 -1.339 -24.945 1.00 0.00 H new ATOM 862 N THR A 59 6.958 1.059 -26.000 1.00 0.00 N ATOM 863 CA THR A 59 6.894 1.835 -27.251 1.00 0.00 C ATOM 864 C THR A 59 5.427 2.055 -27.660 1.00 0.00 C ATOM 865 O THR A 59 4.694 1.089 -27.886 1.00 0.00 O ATOM 866 CB THR A 59 7.643 1.090 -28.432 1.00 0.00 C ATOM 867 OG1 THR A 59 7.282 -0.306 -28.446 1.00 0.00 O ATOM 868 CG2 THR A 59 9.175 1.222 -28.361 1.00 0.00 C ATOM 0 H THR A 59 6.144 0.464 -25.848 1.00 0.00 H new ATOM 0 HA THR A 59 7.384 2.792 -27.069 1.00 0.00 H new ATOM 0 HB THR A 59 7.322 1.576 -29.353 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.328 -0.399 -28.240 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.625 0.689 -29.199 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.452 2.275 -28.410 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.534 0.795 -27.424 1.00 0.00 H new ATOM 876 N TYR A 60 5.043 3.328 -27.773 1.00 0.00 N ATOM 877 CA TYR A 60 3.757 3.796 -28.331 1.00 0.00 C ATOM 878 C TYR A 60 3.960 5.252 -28.767 1.00 0.00 C ATOM 879 O TYR A 60 4.850 5.931 -28.244 1.00 0.00 O ATOM 880 CB TYR A 60 2.577 3.699 -27.311 1.00 0.00 C ATOM 881 CG TYR A 60 1.924 2.310 -27.181 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.187 1.472 -26.093 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.036 1.844 -28.152 1.00 0.00 C ATOM 884 CE1 TYR A 60 1.597 0.230 -25.984 1.00 0.00 C ATOM 885 CE2 TYR A 60 0.443 0.602 -28.046 1.00 0.00 C ATOM 886 CZ TYR A 60 0.725 -0.199 -26.961 1.00 0.00 C ATOM 887 OH TYR A 60 0.144 -1.444 -26.861 1.00 0.00 O ATOM 0 H TYR A 60 5.638 4.098 -27.468 1.00 0.00 H new ATOM 0 HA TYR A 60 3.479 3.155 -29.168 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.942 4.003 -26.330 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.809 4.416 -27.601 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.866 1.804 -25.322 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.808 2.468 -29.004 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.817 -0.403 -25.137 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.239 0.260 -28.810 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.445 -1.593 -27.630 1.00 0.00 H new ATOM 897 N TYR A 61 3.161 5.712 -29.735 1.00 0.00 N ATOM 898 CA TYR A 61 3.261 7.079 -30.278 1.00 0.00 C ATOM 899 C TYR A 61 2.019 7.413 -31.117 1.00 0.00 C ATOM 900 O TYR A 61 1.411 6.524 -31.728 1.00 0.00 O ATOM 901 CB TYR A 61 4.554 7.242 -31.147 1.00 0.00 C ATOM 902 CG TYR A 61 4.616 6.288 -32.360 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.009 4.953 -32.212 1.00 0.00 C ATOM 904 CD2 TYR A 61 4.245 6.713 -33.640 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.028 4.086 -33.284 1.00 0.00 C ATOM 906 CE2 TYR A 61 4.270 5.847 -34.711 1.00 0.00 C ATOM 907 CZ TYR A 61 4.656 4.538 -34.529 1.00 0.00 C ATOM 908 OH TYR A 61 4.664 3.676 -35.601 1.00 0.00 O ATOM 0 H TYR A 61 2.426 5.151 -30.167 1.00 0.00 H new ATOM 0 HA TYR A 61 3.320 7.772 -29.439 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.614 8.271 -31.503 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.427 7.071 -30.517 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.304 4.594 -31.237 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.934 7.736 -33.791 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.333 3.059 -33.147 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.987 6.195 -35.693 1.00 0.00 H new ATOM 0 HH TYR A 61 4.374 4.153 -36.406 1.00 0.00 H new ATOM 918 N ALA A 62 1.637 8.692 -31.121 1.00 0.00 N ATOM 919 CA ALA A 62 0.744 9.253 -32.145 1.00 0.00 C ATOM 920 C ALA A 62 1.602 9.670 -33.354 1.00 0.00 C ATOM 921 O ALA A 62 2.776 10.030 -33.185 1.00 0.00 O ATOM 922 CB ALA A 62 -0.044 10.453 -31.584 1.00 0.00 C ATOM 0 H ALA A 62 1.935 9.368 -30.418 1.00 0.00 H new ATOM 0 HA ALA A 62 0.013 8.506 -32.453 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.699 10.853 -32.359 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.644 10.129 -30.734 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.652 11.227 -31.262 1.00 0.00 H new ATOM 928 N ASP A 63 1.026 9.617 -34.564 1.00 0.00 N ATOM 929 CA ASP A 63 1.726 10.042 -35.798 1.00 0.00 C ATOM 930 C ASP A 63 2.075 11.545 -35.727 1.00 0.00 C ATOM 931 O ASP A 63 3.134 11.971 -36.198 1.00 0.00 O ATOM 932 CB ASP A 63 0.857 9.739 -37.045 1.00 0.00 C ATOM 933 CG ASP A 63 1.585 10.019 -38.379 1.00 0.00 C ATOM 934 OD1 ASP A 63 2.475 9.220 -38.756 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.274 11.029 -39.052 1.00 0.00 O ATOM 0 H ASP A 63 0.075 9.284 -34.721 1.00 0.00 H new ATOM 0 HA ASP A 63 2.655 9.478 -35.884 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.549 8.694 -37.019 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.051 10.340 -37.001 1.00 0.00 H new ATOM 940 N SER A 64 1.186 12.323 -35.076 1.00 0.00 N ATOM 941 CA SER A 64 1.360 13.773 -34.877 1.00 0.00 C ATOM 942 C SER A 64 2.546 14.107 -33.942 1.00 0.00 C ATOM 943 O SER A 64 3.015 15.247 -33.928 1.00 0.00 O ATOM 944 CB SER A 64 0.060 14.385 -34.310 1.00 0.00 C ATOM 945 OG SER A 64 -1.055 14.056 -35.122 1.00 0.00 O ATOM 0 H SER A 64 0.323 11.959 -34.672 1.00 0.00 H new ATOM 0 HA SER A 64 1.585 14.206 -35.852 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.105 14.021 -33.296 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.161 15.468 -34.248 1.00 0.00 H new ATOM 0 HG SER A 64 -1.866 14.454 -34.741 1.00 0.00 H new ATOM 951 N VAL A 65 3.014 13.122 -33.143 1.00 0.00 N ATOM 952 CA VAL A 65 4.127 13.323 -32.178 1.00 0.00 C ATOM 953 C VAL A 65 5.343 12.421 -32.511 1.00 0.00 C ATOM 954 O VAL A 65 6.332 12.417 -31.761 1.00 0.00 O ATOM 955 CB VAL A 65 3.652 13.076 -30.688 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.421 13.950 -30.321 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.387 11.580 -30.386 1.00 0.00 C ATOM 0 H VAL A 65 2.638 12.174 -33.145 1.00 0.00 H new ATOM 0 HA VAL A 65 4.442 14.363 -32.270 1.00 0.00 H new ATOM 0 HB VAL A 65 4.481 13.385 -30.051 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.127 13.750 -29.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.678 15.004 -30.427 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.593 13.710 -30.988 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.064 11.469 -29.351 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.608 11.207 -31.051 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.302 11.009 -30.544 1.00 0.00 H new ATOM 967 N LYS A 66 5.267 11.693 -33.651 1.00 0.00 N ATOM 968 CA LYS A 66 6.310 10.729 -34.079 1.00 0.00 C ATOM 969 C LYS A 66 7.677 11.423 -34.278 1.00 0.00 C ATOM 970 O LYS A 66 7.755 12.487 -34.905 1.00 0.00 O ATOM 971 CB LYS A 66 5.899 10.029 -35.407 1.00 0.00 C ATOM 972 CG LYS A 66 6.938 9.000 -35.941 1.00 0.00 C ATOM 973 CD LYS A 66 6.630 8.499 -37.373 1.00 0.00 C ATOM 974 CE LYS A 66 5.291 7.753 -37.475 1.00 0.00 C ATOM 975 NZ LYS A 66 5.007 7.297 -38.857 1.00 0.00 N ATOM 0 H LYS A 66 4.482 11.757 -34.299 1.00 0.00 H new ATOM 0 HA LYS A 66 6.405 9.987 -33.286 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.947 9.520 -35.256 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.736 10.791 -36.169 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.928 9.456 -35.929 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.972 8.146 -35.265 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.618 9.350 -38.054 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.433 7.839 -37.701 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.305 6.893 -36.806 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.487 8.406 -37.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.148 7.767 -39.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.810 7.536 -39.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.863 6.267 -38.860 1.00 0.00 H new ATOM 989 N GLY A 67 8.735 10.821 -33.696 1.00 0.00 N ATOM 990 CA GLY A 67 10.120 11.255 -33.896 1.00 0.00 C ATOM 991 C GLY A 67 10.560 12.384 -32.971 1.00 0.00 C ATOM 992 O GLY A 67 11.745 12.500 -32.649 1.00 0.00 O ATOM 0 H GLY A 67 8.645 10.018 -33.073 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.781 10.401 -33.749 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.242 11.579 -34.930 1.00 0.00 H new ATOM 996 N ARG A 68 9.604 13.219 -32.544 1.00 0.00 N ATOM 997 CA ARG A 68 9.867 14.382 -31.689 1.00 0.00 C ATOM 998 C ARG A 68 9.706 14.001 -30.217 1.00 0.00 C ATOM 999 O ARG A 68 10.558 14.316 -29.386 1.00 0.00 O ATOM 1000 CB ARG A 68 8.916 15.533 -32.079 1.00 0.00 C ATOM 1001 CG ARG A 68 9.158 16.078 -33.506 1.00 0.00 C ATOM 1002 CD ARG A 68 8.286 17.295 -33.832 1.00 0.00 C ATOM 1003 NE ARG A 68 6.850 16.976 -33.853 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.870 17.880 -33.975 1.00 0.00 C ATOM 1005 NH1 ARG A 68 6.122 19.184 -33.917 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.630 17.472 -34.120 1.00 0.00 N ATOM 0 H ARG A 68 8.619 13.105 -32.784 1.00 0.00 H new ATOM 0 HA ARG A 68 10.893 14.719 -31.834 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.886 15.184 -32.002 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.031 16.347 -31.363 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.208 16.350 -33.613 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.958 15.289 -34.230 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.470 18.076 -33.094 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.579 17.697 -34.802 1.00 0.00 H new ATOM 0 HE ARG A 68 6.582 15.996 -33.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.077 19.513 -33.777 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.360 19.855 -34.012 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.420 16.474 -34.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.877 18.153 -34.214 1.00 0.00 H new ATOM 1020 N PHE A 69 8.594 13.322 -29.912 1.00 0.00 N ATOM 1021 CA PHE A 69 8.305 12.804 -28.568 1.00 0.00 C ATOM 1022 C PHE A 69 8.930 11.401 -28.446 1.00 0.00 C ATOM 1023 O PHE A 69 8.639 10.511 -29.254 1.00 0.00 O ATOM 1024 CB PHE A 69 6.772 12.745 -28.316 1.00 0.00 C ATOM 1025 CG PHE A 69 6.052 14.104 -28.214 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.261 15.121 -29.154 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.120 14.343 -27.201 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.572 16.316 -29.080 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.437 15.544 -27.126 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.659 16.529 -28.065 1.00 0.00 C ATOM 0 H PHE A 69 7.865 13.115 -30.594 1.00 0.00 H new ATOM 0 HA PHE A 69 8.733 13.468 -27.817 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.313 12.172 -29.122 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.596 12.193 -27.393 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.974 14.968 -29.951 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.929 13.577 -26.464 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.747 17.086 -29.817 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.727 15.711 -26.329 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.121 17.464 -28.007 1.00 0.00 H new ATOM 1040 N THR A 70 9.803 11.235 -27.451 1.00 0.00 N ATOM 1041 CA THR A 70 10.548 9.995 -27.200 1.00 0.00 C ATOM 1042 C THR A 70 10.288 9.558 -25.759 1.00 0.00 C ATOM 1043 O THR A 70 10.355 10.380 -24.850 1.00 0.00 O ATOM 1044 CB THR A 70 12.083 10.221 -27.422 1.00 0.00 C ATOM 1045 OG1 THR A 70 12.310 10.707 -28.757 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.902 8.936 -27.186 1.00 0.00 C ATOM 0 H THR A 70 10.018 11.974 -26.781 1.00 0.00 H new ATOM 0 HA THR A 70 10.216 9.222 -27.893 1.00 0.00 H new ATOM 0 HB THR A 70 12.418 10.958 -26.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.270 10.850 -28.894 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.959 9.143 -27.352 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.755 8.594 -26.161 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.571 8.161 -27.878 1.00 0.00 H new ATOM 1054 N ILE A 71 9.988 8.266 -25.552 1.00 0.00 N ATOM 1055 CA ILE A 71 9.681 7.722 -24.216 1.00 0.00 C ATOM 1056 C ILE A 71 10.664 6.610 -23.848 1.00 0.00 C ATOM 1057 O ILE A 71 11.140 5.872 -24.721 1.00 0.00 O ATOM 1058 CB ILE A 71 8.196 7.200 -24.080 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.869 5.947 -24.984 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.204 8.345 -24.340 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.775 6.194 -26.488 1.00 0.00 C ATOM 0 H ILE A 71 9.951 7.572 -26.299 1.00 0.00 H new ATOM 0 HA ILE A 71 9.788 8.552 -23.518 1.00 0.00 H new ATOM 0 HB ILE A 71 8.087 6.850 -23.053 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.636 5.192 -24.810 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.923 5.523 -24.649 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.184 7.972 -24.243 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.369 9.142 -23.615 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.354 8.735 -25.347 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.546 5.258 -26.997 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.986 6.918 -26.689 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.726 6.583 -26.853 1.00 0.00 H new ATOM 1073 N SER A 72 10.964 6.521 -22.547 1.00 0.00 N ATOM 1074 CA SER A 72 11.853 5.503 -21.982 1.00 0.00 C ATOM 1075 C SER A 72 11.581 5.359 -20.479 1.00 0.00 C ATOM 1076 O SER A 72 11.137 6.304 -19.833 1.00 0.00 O ATOM 1077 CB SER A 72 13.337 5.883 -22.233 1.00 0.00 C ATOM 1078 OG SER A 72 13.632 7.175 -21.721 1.00 0.00 O ATOM 0 H SER A 72 10.590 7.164 -21.849 1.00 0.00 H new ATOM 0 HA SER A 72 11.659 4.548 -22.470 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.988 5.146 -21.763 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.546 5.857 -23.303 1.00 0.00 H new ATOM 0 HG SER A 72 14.573 7.387 -21.892 1.00 0.00 H new ATOM 1084 N ARG A 73 11.829 4.164 -19.947 1.00 0.00 N ATOM 1085 CA ARG A 73 11.801 3.884 -18.503 1.00 0.00 C ATOM 1086 C ARG A 73 13.114 3.198 -18.147 1.00 0.00 C ATOM 1087 O ARG A 73 13.463 2.183 -18.753 1.00 0.00 O ATOM 1088 CB ARG A 73 10.578 2.990 -18.143 1.00 0.00 C ATOM 1089 CG ARG A 73 10.578 2.360 -16.719 1.00 0.00 C ATOM 1090 CD ARG A 73 9.301 1.525 -16.447 1.00 0.00 C ATOM 1091 NE ARG A 73 9.400 0.677 -15.231 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.348 0.123 -14.586 1.00 0.00 C ATOM 1093 NH1 ARG A 73 7.095 0.433 -14.919 1.00 0.00 N ATOM 1094 NH2 ARG A 73 8.558 -0.729 -13.592 1.00 0.00 N ATOM 0 H ARG A 73 12.059 3.346 -20.512 1.00 0.00 H new ATOM 0 HA ARG A 73 11.696 4.806 -17.932 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.673 3.588 -18.252 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.517 2.183 -18.874 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.456 1.725 -16.605 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.658 3.151 -15.974 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.450 2.199 -16.343 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.101 0.889 -17.309 1.00 0.00 H new ATOM 0 HE ARG A 73 10.331 0.499 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.917 1.098 -15.672 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.314 0.005 -14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.511 -0.965 -13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.767 -1.148 -13.104 1.00 0.00 H new ATOM 1108 N ASP A 74 13.854 3.778 -17.199 1.00 0.00 N ATOM 1109 CA ASP A 74 15.063 3.162 -16.649 1.00 0.00 C ATOM 1110 C ASP A 74 14.716 2.639 -15.257 1.00 0.00 C ATOM 1111 O ASP A 74 14.602 3.417 -14.305 1.00 0.00 O ATOM 1112 CB ASP A 74 16.231 4.180 -16.587 1.00 0.00 C ATOM 1113 CG ASP A 74 17.594 3.500 -16.359 1.00 0.00 C ATOM 1114 OD1 ASP A 74 18.404 3.414 -17.311 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.854 3.028 -15.237 1.00 0.00 O ATOM 0 H ASP A 74 13.632 4.686 -16.792 1.00 0.00 H new ATOM 0 HA ASP A 74 15.396 2.345 -17.289 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.263 4.748 -17.516 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.045 4.893 -15.784 1.00 0.00 H new ATOM 1120 N ASN A 75 14.528 1.320 -15.157 1.00 0.00 N ATOM 1121 CA ASN A 75 14.061 0.664 -13.927 1.00 0.00 C ATOM 1122 C ASN A 75 15.197 0.545 -12.881 1.00 0.00 C ATOM 1123 O ASN A 75 14.933 0.236 -11.715 1.00 0.00 O ATOM 1124 CB ASN A 75 13.454 -0.720 -14.281 1.00 0.00 C ATOM 1125 CG ASN A 75 12.576 -1.300 -13.171 1.00 0.00 C ATOM 1126 OD1 ASN A 75 11.380 -1.014 -13.107 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.154 -2.103 -12.290 1.00 0.00 N ATOM 0 H ASN A 75 14.695 0.673 -15.928 1.00 0.00 H new ATOM 0 HA ASN A 75 13.285 1.278 -13.469 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.862 -0.627 -15.191 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.262 -1.419 -14.497 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.606 -2.505 -11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.147 -2.319 -12.372 1.00 0.00 H new ATOM 1134 N ALA A 76 16.461 0.808 -13.303 1.00 0.00 N ATOM 1135 CA ALA A 76 17.632 0.719 -12.408 1.00 0.00 C ATOM 1136 C ALA A 76 17.583 1.781 -11.291 1.00 0.00 C ATOM 1137 O ALA A 76 17.918 1.474 -10.144 1.00 0.00 O ATOM 1138 CB ALA A 76 18.942 0.794 -13.195 1.00 0.00 C ATOM 0 H ALA A 76 16.689 1.083 -14.258 1.00 0.00 H new ATOM 0 HA ALA A 76 17.594 -0.257 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.784 0.726 -12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.987 -0.031 -13.906 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.989 1.741 -13.733 1.00 0.00 H new ATOM 1144 N LYS A 77 17.162 3.026 -11.616 1.00 0.00 N ATOM 1145 CA LYS A 77 16.867 4.049 -10.566 1.00 0.00 C ATOM 1146 C LYS A 77 15.362 4.372 -10.521 1.00 0.00 C ATOM 1147 O LYS A 77 14.926 5.205 -9.711 1.00 0.00 O ATOM 1148 CB LYS A 77 17.714 5.352 -10.717 1.00 0.00 C ATOM 1149 CG LYS A 77 17.463 6.207 -11.980 1.00 0.00 C ATOM 1150 CD LYS A 77 18.117 5.632 -13.249 1.00 0.00 C ATOM 1151 CE LYS A 77 17.986 6.581 -14.454 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.667 7.883 -14.226 1.00 0.00 N ATOM 0 H LYS A 77 17.019 3.349 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 77 17.160 3.604 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.533 5.977 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.768 5.075 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.389 6.295 -12.142 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.843 7.214 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.172 5.437 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.656 4.675 -13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.409 6.103 -15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.931 6.757 -14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 18.027 8.660 -14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.923 7.970 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.527 7.931 -14.808 1.00 0.00 H new ATOM 1166 N ASN A 78 14.590 3.667 -11.382 1.00 0.00 N ATOM 1167 CA ASN A 78 13.120 3.760 -11.466 1.00 0.00 C ATOM 1168 C ASN A 78 12.683 5.193 -11.773 1.00 0.00 C ATOM 1169 O ASN A 78 12.124 5.885 -10.927 1.00 0.00 O ATOM 1170 CB ASN A 78 12.436 3.193 -10.193 1.00 0.00 C ATOM 1171 CG ASN A 78 12.812 1.735 -9.943 1.00 0.00 C ATOM 1172 OD1 ASN A 78 13.754 1.439 -9.220 1.00 0.00 O ATOM 1173 ND2 ASN A 78 12.108 0.817 -10.575 1.00 0.00 N ATOM 0 H ASN A 78 14.984 3.005 -12.050 1.00 0.00 H new ATOM 0 HA ASN A 78 12.789 3.136 -12.296 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.722 3.794 -9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.354 3.276 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.343 -0.170 -10.468 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.328 1.093 -11.171 1.00 0.00 H new ATOM 1180 N THR A 79 13.027 5.645 -12.980 1.00 0.00 N ATOM 1181 CA THR A 79 12.705 6.990 -13.461 1.00 0.00 C ATOM 1182 C THR A 79 12.337 6.916 -14.957 1.00 0.00 C ATOM 1183 O THR A 79 13.045 6.288 -15.749 1.00 0.00 O ATOM 1184 CB THR A 79 13.912 7.966 -13.221 1.00 0.00 C ATOM 1185 OG1 THR A 79 14.284 7.952 -11.826 1.00 0.00 O ATOM 1186 CG2 THR A 79 13.582 9.411 -13.635 1.00 0.00 C ATOM 0 H THR A 79 13.542 5.083 -13.658 1.00 0.00 H new ATOM 0 HA THR A 79 11.853 7.382 -12.906 1.00 0.00 H new ATOM 0 HB THR A 79 14.737 7.616 -13.841 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.038 8.561 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.447 10.049 -13.451 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.331 9.437 -14.695 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.734 9.772 -13.053 1.00 0.00 H new ATOM 1194 N VAL A 80 11.220 7.564 -15.319 1.00 0.00 N ATOM 1195 CA VAL A 80 10.627 7.511 -16.667 1.00 0.00 C ATOM 1196 C VAL A 80 10.783 8.889 -17.337 1.00 0.00 C ATOM 1197 O VAL A 80 10.455 9.910 -16.734 1.00 0.00 O ATOM 1198 CB VAL A 80 9.100 7.111 -16.593 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.494 6.893 -18.001 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.887 5.862 -15.699 1.00 0.00 C ATOM 0 H VAL A 80 10.692 8.151 -14.673 1.00 0.00 H new ATOM 0 HA VAL A 80 11.144 6.753 -17.256 1.00 0.00 H new ATOM 0 HB VAL A 80 8.572 7.947 -16.135 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.443 6.619 -17.906 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.579 7.813 -18.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.033 6.093 -18.509 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.826 5.613 -15.669 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.446 5.021 -16.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.239 6.073 -14.689 1.00 0.00 H new ATOM 1210 N TYR A 81 11.298 8.910 -18.574 1.00 0.00 N ATOM 1211 CA TYR A 81 11.616 10.151 -19.309 1.00 0.00 C ATOM 1212 C TYR A 81 10.701 10.326 -20.532 1.00 0.00 C ATOM 1213 O TYR A 81 10.266 9.340 -21.146 1.00 0.00 O ATOM 1214 CB TYR A 81 13.100 10.121 -19.762 1.00 0.00 C ATOM 1215 CG TYR A 81 14.094 9.949 -18.601 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.582 11.055 -17.899 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.525 8.680 -18.192 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.456 10.902 -16.841 1.00 0.00 C ATOM 1219 CE2 TYR A 81 15.404 8.526 -17.137 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.864 9.639 -16.464 1.00 0.00 C ATOM 1221 OH TYR A 81 16.723 9.490 -15.399 1.00 0.00 O ATOM 0 H TYR A 81 11.509 8.062 -19.100 1.00 0.00 H new ATOM 0 HA TYR A 81 11.451 10.996 -18.641 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.238 9.305 -20.472 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.329 11.046 -20.291 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.270 12.047 -18.189 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.163 7.805 -18.712 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.819 11.769 -16.310 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.729 7.540 -16.841 1.00 0.00 H new ATOM 0 HH TYR A 81 16.579 10.218 -14.759 1.00 0.00 H new ATOM 1231 N LEU A 82 10.422 11.601 -20.870 1.00 0.00 N ATOM 1232 CA LEU A 82 9.742 11.993 -22.117 1.00 0.00 C ATOM 1233 C LEU A 82 10.533 13.134 -22.764 1.00 0.00 C ATOM 1234 O LEU A 82 10.400 14.295 -22.377 1.00 0.00 O ATOM 1235 CB LEU A 82 8.278 12.432 -21.837 1.00 0.00 C ATOM 1236 CG LEU A 82 7.450 12.976 -23.052 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.264 11.916 -24.156 1.00 0.00 C ATOM 1238 CD2 LEU A 82 6.089 13.541 -22.590 1.00 0.00 C ATOM 0 H LEU A 82 10.666 12.394 -20.277 1.00 0.00 H new ATOM 0 HA LEU A 82 9.702 11.140 -22.794 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.744 11.579 -21.418 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.298 13.205 -21.068 1.00 0.00 H new ATOM 0 HG LEU A 82 8.027 13.791 -23.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.684 12.342 -24.975 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.240 11.602 -24.527 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.736 11.054 -23.748 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.537 13.911 -23.454 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.515 12.753 -22.102 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.254 14.358 -21.887 1.00 0.00 H new ATOM 1250 N GLN A 83 11.376 12.792 -23.742 1.00 0.00 N ATOM 1251 CA GLN A 83 12.158 13.779 -24.495 1.00 0.00 C ATOM 1252 C GLN A 83 11.330 14.274 -25.687 1.00 0.00 C ATOM 1253 O GLN A 83 11.207 13.584 -26.696 1.00 0.00 O ATOM 1254 CB GLN A 83 13.511 13.163 -24.955 1.00 0.00 C ATOM 1255 CG GLN A 83 14.427 14.106 -25.769 1.00 0.00 C ATOM 1256 CD GLN A 83 14.760 15.416 -25.045 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.703 15.477 -24.264 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.997 16.470 -25.313 1.00 0.00 N ATOM 0 H GLN A 83 11.536 11.828 -24.034 1.00 0.00 H new ATOM 0 HA GLN A 83 12.390 14.631 -23.856 1.00 0.00 H new ATOM 0 HB2 GLN A 83 14.056 12.827 -24.073 1.00 0.00 H new ATOM 0 HB3 GLN A 83 13.302 12.279 -25.557 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.355 13.584 -26.003 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.944 14.338 -26.718 1.00 0.00 H new ATOM 0 HE21 GLN A 83 13.220 16.384 -25.968 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.188 17.365 -24.863 1.00 0.00 H new ATOM 1267 N MET A 84 10.733 15.462 -25.528 1.00 0.00 N ATOM 1268 CA MET A 84 9.974 16.140 -26.590 1.00 0.00 C ATOM 1269 C MET A 84 10.901 17.117 -27.319 1.00 0.00 C ATOM 1270 O MET A 84 11.754 17.739 -26.684 1.00 0.00 O ATOM 1271 CB MET A 84 8.766 16.902 -25.992 1.00 0.00 C ATOM 1272 CG MET A 84 7.825 16.050 -25.136 1.00 0.00 C ATOM 1273 SD MET A 84 6.295 16.910 -24.690 1.00 0.00 S ATOM 1274 CE MET A 84 6.878 18.391 -23.857 1.00 0.00 C ATOM 0 H MET A 84 10.763 15.985 -24.653 1.00 0.00 H new ATOM 0 HA MET A 84 9.595 15.397 -27.292 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.140 17.726 -25.384 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.193 17.342 -26.808 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.577 15.137 -25.678 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.344 15.749 -24.226 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.262 18.580 -22.978 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.915 18.252 -23.550 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.812 19.241 -24.537 1.00 0.00 H new ATOM 1284 N ASN A 85 10.751 17.235 -28.646 1.00 0.00 N ATOM 1285 CA ASN A 85 11.581 18.138 -29.488 1.00 0.00 C ATOM 1286 C ASN A 85 10.693 18.875 -30.502 1.00 0.00 C ATOM 1287 O ASN A 85 9.657 18.343 -30.902 1.00 0.00 O ATOM 1288 CB ASN A 85 12.691 17.335 -30.232 1.00 0.00 C ATOM 1289 CG ASN A 85 13.676 16.622 -29.289 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.467 15.469 -28.905 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.737 17.310 -28.887 1.00 0.00 N ATOM 0 H ASN A 85 10.054 16.711 -29.175 1.00 0.00 H new ATOM 0 HA ASN A 85 12.063 18.868 -28.838 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.220 16.594 -30.878 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.247 18.014 -30.878 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.406 16.887 -28.244 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.884 18.262 -29.221 1.00 0.00 H new ATOM 1298 N SER A 86 11.107 20.109 -30.885 1.00 0.00 N ATOM 1299 CA SER A 86 10.462 20.916 -31.953 1.00 0.00 C ATOM 1300 C SER A 86 8.937 21.056 -31.723 1.00 0.00 C ATOM 1301 O SER A 86 8.108 20.621 -32.532 1.00 0.00 O ATOM 1302 CB SER A 86 10.799 20.318 -33.344 1.00 0.00 C ATOM 1303 OG SER A 86 10.297 21.111 -34.411 1.00 0.00 O ATOM 0 H SER A 86 11.906 20.577 -30.457 1.00 0.00 H new ATOM 0 HA SER A 86 10.865 21.928 -31.917 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.880 20.223 -33.443 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.383 19.313 -33.415 1.00 0.00 H new ATOM 0 HG SER A 86 10.535 20.696 -35.267 1.00 0.00 H new ATOM 1309 N LEU A 87 8.602 21.645 -30.574 1.00 0.00 N ATOM 1310 CA LEU A 87 7.224 21.732 -30.065 1.00 0.00 C ATOM 1311 C LEU A 87 6.419 22.856 -30.741 1.00 0.00 C ATOM 1312 O LEU A 87 6.982 23.763 -31.347 1.00 0.00 O ATOM 1313 CB LEU A 87 7.283 21.915 -28.529 1.00 0.00 C ATOM 1314 CG LEU A 87 7.906 20.705 -27.759 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.123 21.017 -26.265 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.035 19.445 -27.950 1.00 0.00 C ATOM 0 H LEU A 87 9.287 22.083 -29.959 1.00 0.00 H new ATOM 0 HA LEU A 87 6.696 20.809 -30.307 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.862 22.811 -28.304 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.273 22.086 -28.156 1.00 0.00 H new ATOM 0 HG LEU A 87 8.892 20.513 -28.182 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.557 20.148 -25.771 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.799 21.866 -26.165 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.167 21.258 -25.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.480 18.610 -27.409 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.033 19.634 -27.566 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.977 19.200 -29.011 1.00 0.00 H new ATOM 1328 N LYS A 88 5.091 22.759 -30.639 1.00 0.00 N ATOM 1329 CA LYS A 88 4.139 23.739 -31.203 1.00 0.00 C ATOM 1330 C LYS A 88 3.260 24.290 -30.056 1.00 0.00 C ATOM 1331 O LYS A 88 3.067 23.585 -29.061 1.00 0.00 O ATOM 1332 CB LYS A 88 3.278 23.093 -32.337 1.00 0.00 C ATOM 1333 CG LYS A 88 2.565 21.765 -31.977 1.00 0.00 C ATOM 1334 CD LYS A 88 3.453 20.507 -32.145 1.00 0.00 C ATOM 1335 CE LYS A 88 2.726 19.221 -31.719 1.00 0.00 C ATOM 1336 NZ LYS A 88 1.403 19.086 -32.375 1.00 0.00 N ATOM 0 H LYS A 88 4.632 21.987 -30.155 1.00 0.00 H new ATOM 0 HA LYS A 88 4.684 24.565 -31.660 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.523 23.815 -32.648 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.922 22.914 -33.198 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.220 21.818 -30.944 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.680 21.658 -32.604 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.762 20.419 -33.187 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.360 20.623 -31.552 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.343 18.357 -31.966 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.596 19.220 -30.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.279 18.109 -32.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.652 19.318 -31.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.349 19.737 -33.184 1.00 0.00 H new ATOM 1350 N PRO A 89 2.703 25.551 -30.166 1.00 0.00 N ATOM 1351 CA PRO A 89 2.060 26.256 -29.017 1.00 0.00 C ATOM 1352 C PRO A 89 0.834 25.527 -28.401 1.00 0.00 C ATOM 1353 O PRO A 89 0.411 25.857 -27.282 1.00 0.00 O ATOM 1354 CB PRO A 89 1.660 27.635 -29.614 1.00 0.00 C ATOM 1355 CG PRO A 89 1.564 27.393 -31.084 1.00 0.00 C ATOM 1356 CD PRO A 89 2.658 26.397 -31.393 1.00 0.00 C ATOM 0 HA PRO A 89 2.747 26.317 -28.173 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.711 27.984 -29.206 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.405 28.397 -29.385 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.585 26.999 -31.355 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.703 28.317 -31.645 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.427 25.808 -32.280 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.612 26.891 -31.577 1.00 0.00 H new ATOM 1364 N GLU A 90 0.276 24.539 -29.130 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.893 23.753 -28.668 1.00 0.00 C ATOM 1366 C GLU A 90 -0.517 22.766 -27.537 1.00 0.00 C ATOM 1367 O GLU A 90 -1.401 22.249 -26.844 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.531 22.986 -29.851 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.667 21.832 -30.402 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.325 21.060 -31.556 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -2.309 20.328 -31.309 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.853 21.158 -32.708 1.00 0.00 O ATOM 0 H GLU A 90 0.618 24.263 -30.050 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.618 24.459 -28.264 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.492 22.584 -29.531 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.733 23.690 -30.658 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.286 22.236 -30.744 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.446 21.137 -29.592 1.00 0.00 H new ATOM 1379 N ASP A 91 0.801 22.528 -27.346 1.00 0.00 N ATOM 1380 CA ASP A 91 1.322 21.626 -26.295 1.00 0.00 C ATOM 1381 C ASP A 91 1.400 22.355 -24.922 1.00 0.00 C ATOM 1382 O ASP A 91 2.140 21.940 -24.022 1.00 0.00 O ATOM 1383 CB ASP A 91 2.719 21.069 -26.701 1.00 0.00 C ATOM 1384 CG ASP A 91 2.789 20.447 -28.110 1.00 0.00 C ATOM 1385 OD1 ASP A 91 1.784 19.861 -28.578 1.00 0.00 O ATOM 1386 OD2 ASP A 91 3.862 20.528 -28.755 1.00 0.00 O ATOM 0 H ASP A 91 1.531 22.955 -27.915 1.00 0.00 H new ATOM 0 HA ASP A 91 0.631 20.789 -26.192 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.447 21.878 -26.641 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.019 20.316 -25.973 1.00 0.00 H new ATOM 1391 N THR A 92 0.648 23.466 -24.784 1.00 0.00 N ATOM 1392 CA THR A 92 0.363 24.085 -23.487 1.00 0.00 C ATOM 1393 C THR A 92 -0.690 23.231 -22.757 1.00 0.00 C ATOM 1394 O THR A 92 -1.904 23.398 -22.954 1.00 0.00 O ATOM 1395 CB THR A 92 -0.127 25.555 -23.675 1.00 0.00 C ATOM 1396 OG1 THR A 92 0.907 26.302 -24.329 1.00 0.00 O ATOM 1397 CG2 THR A 92 -0.499 26.241 -22.342 1.00 0.00 C ATOM 0 H THR A 92 0.224 23.954 -25.573 1.00 0.00 H new ATOM 0 HA THR A 92 1.271 24.125 -22.886 1.00 0.00 H new ATOM 0 HB THR A 92 -1.035 25.528 -24.278 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.806 26.219 -25.300 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.832 27.260 -22.538 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.301 25.684 -21.858 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.373 26.264 -21.689 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.203 22.292 -21.940 1.00 0.00 N ATOM 1406 CA ALA A 93 -1.042 21.268 -21.310 1.00 0.00 C ATOM 1407 C ALA A 93 -0.311 20.632 -20.127 1.00 0.00 C ATOM 1408 O ALA A 93 0.909 20.772 -19.979 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.436 20.194 -22.351 1.00 0.00 C ATOM 0 H ALA A 93 0.785 22.220 -21.697 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.951 21.738 -20.934 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.059 19.437 -21.875 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.991 20.662 -23.164 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.536 19.725 -22.749 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.076 19.937 -19.281 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.526 19.163 -18.172 1.00 0.00 C ATOM 1417 C VAL A 94 -0.189 17.736 -18.659 1.00 0.00 C ATOM 1418 O VAL A 94 -1.079 16.941 -18.965 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.504 19.163 -16.923 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.927 18.671 -17.272 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.911 18.360 -15.751 1.00 0.00 C ATOM 0 H VAL A 94 -2.093 19.897 -19.348 1.00 0.00 H new ATOM 0 HA VAL A 94 0.397 19.631 -17.830 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.604 20.203 -16.611 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.549 18.694 -16.377 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.360 19.321 -18.032 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.876 17.651 -17.653 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.604 18.378 -14.910 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.746 17.329 -16.063 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.038 18.804 -15.449 1.00 0.00 H new ATOM 1431 N TYR A 95 1.112 17.452 -18.797 1.00 0.00 N ATOM 1432 CA TYR A 95 1.611 16.109 -19.119 1.00 0.00 C ATOM 1433 C TYR A 95 1.726 15.327 -17.818 1.00 0.00 C ATOM 1434 O TYR A 95 2.141 15.883 -16.810 1.00 0.00 O ATOM 1435 CB TYR A 95 2.981 16.183 -19.843 1.00 0.00 C ATOM 1436 CG TYR A 95 2.888 16.613 -21.320 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.475 17.896 -21.674 1.00 0.00 C ATOM 1438 CD2 TYR A 95 3.222 15.736 -22.359 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.405 18.292 -22.997 1.00 0.00 C ATOM 1440 CE2 TYR A 95 3.152 16.129 -23.681 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.746 17.410 -23.994 1.00 0.00 C ATOM 1442 OH TYR A 95 2.671 17.800 -25.314 1.00 0.00 O ATOM 0 H TYR A 95 1.850 18.148 -18.688 1.00 0.00 H new ATOM 0 HA TYR A 95 0.920 15.608 -19.797 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.624 16.884 -19.311 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.462 15.206 -19.789 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.204 18.596 -20.898 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.541 14.732 -22.122 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.083 19.292 -23.246 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.414 15.436 -24.467 1.00 0.00 H new ATOM 0 HH TYR A 95 3.516 17.593 -25.765 1.00 0.00 H new ATOM 1452 N LEU A 96 1.316 14.054 -17.842 1.00 0.00 N ATOM 1453 CA LEU A 96 1.250 13.214 -16.640 1.00 0.00 C ATOM 1454 C LEU A 96 1.477 11.742 -16.990 1.00 0.00 C ATOM 1455 O LEU A 96 0.975 11.252 -18.009 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.100 13.423 -15.865 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.459 13.030 -16.568 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.641 13.170 -15.584 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -1.741 13.863 -17.842 1.00 0.00 C ATOM 0 H LEU A 96 1.021 13.577 -18.694 1.00 0.00 H new ATOM 0 HA LEU A 96 2.053 13.524 -15.972 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.036 12.858 -14.935 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.163 14.477 -15.594 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.356 11.989 -16.875 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.568 12.895 -16.087 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.483 12.512 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.708 14.202 -15.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.688 13.548 -18.281 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.796 14.920 -17.581 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.938 13.709 -18.563 1.00 0.00 H new ATOM 1471 N CYS A 97 2.236 11.038 -16.130 1.00 0.00 N ATOM 1472 CA CYS A 97 2.451 9.596 -16.260 1.00 0.00 C ATOM 1473 C CYS A 97 1.326 8.875 -15.526 1.00 0.00 C ATOM 1474 O CYS A 97 1.213 8.967 -14.305 1.00 0.00 O ATOM 1475 CB CYS A 97 3.811 9.167 -15.664 1.00 0.00 C ATOM 1476 SG CYS A 97 5.238 9.816 -16.521 1.00 0.00 S ATOM 0 H CYS A 97 2.713 11.456 -15.331 1.00 0.00 H new ATOM 0 HA CYS A 97 2.456 9.336 -17.319 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.853 9.486 -14.623 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.866 8.078 -15.666 1.00 0.00 H new ATOM 0 HG CYS A 97 4.857 10.712 -17.383 1.00 0.00 H new ATOM 1482 N ALA A 98 0.506 8.155 -16.280 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.617 7.403 -15.754 1.00 0.00 C ATOM 1484 C ALA A 98 -0.289 5.915 -15.817 1.00 0.00 C ATOM 1485 O ALA A 98 -0.101 5.358 -16.905 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.879 7.725 -16.559 1.00 0.00 C ATOM 0 H ALA A 98 0.608 8.078 -17.292 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.801 7.679 -14.716 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.720 7.158 -16.160 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.094 8.791 -16.487 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.723 7.456 -17.604 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.226 5.283 -14.645 1.00 0.00 N ATOM 1493 CA ALA A 99 0.071 3.859 -14.508 1.00 0.00 C ATOM 1494 C ALA A 99 -1.195 3.160 -14.025 1.00 0.00 C ATOM 1495 O ALA A 99 -1.702 3.454 -12.933 1.00 0.00 O ATOM 1496 CB ALA A 99 1.232 3.647 -13.527 1.00 0.00 C ATOM 0 H ALA A 99 -0.382 5.753 -13.753 1.00 0.00 H new ATOM 0 HA ALA A 99 0.379 3.439 -15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.441 2.581 -13.436 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.119 4.161 -13.897 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.961 4.049 -12.551 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.712 2.259 -14.863 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.972 1.593 -14.601 1.00 0.00 C ATOM 1504 C GLY A 100 -3.086 0.272 -15.318 1.00 0.00 C ATOM 1505 O GLY A 100 -2.381 0.019 -16.304 1.00 0.00 O ATOM 0 H GLY A 100 -1.265 1.977 -15.736 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.078 1.431 -13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.793 2.241 -14.908 1.00 0.00 H new ATOM 1652 N PRO A 110 -6.592 4.243 -16.685 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.492 4.746 -15.833 1.00 0.00 C ATOM 1654 C PRO A 110 -5.919 4.749 -14.345 1.00 0.00 C ATOM 1655 O PRO A 110 -6.929 5.369 -13.986 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.235 6.193 -16.370 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.121 6.347 -17.580 1.00 0.00 C ATOM 1658 CD PRO A 110 -7.252 5.361 -17.403 1.00 0.00 C ATOM 0 HA PRO A 110 -4.594 4.130 -15.877 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.475 6.939 -15.613 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.186 6.332 -16.633 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.501 7.366 -17.657 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.567 6.143 -18.496 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.074 5.785 -16.826 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.666 5.041 -18.360 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.146 4.056 -13.494 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.498 3.826 -12.077 1.00 0.00 C ATOM 1668 C ASP A 111 -4.913 4.941 -11.193 1.00 0.00 C ATOM 1669 O ASP A 111 -5.606 5.504 -10.336 1.00 0.00 O ATOM 1670 CB ASP A 111 -4.991 2.423 -11.637 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.413 2.015 -10.214 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.618 2.098 -9.890 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -4.559 1.576 -9.427 1.00 0.00 O ATOM 0 H ASP A 111 -4.257 3.637 -13.766 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.582 3.851 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.362 1.678 -12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.903 2.407 -11.700 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.629 5.252 -11.414 1.00 0.00 N ATOM 1679 CA TYR A 112 -2.937 6.385 -10.763 1.00 0.00 C ATOM 1680 C TYR A 112 -2.310 7.286 -11.818 1.00 0.00 C ATOM 1681 O TYR A 112 -2.071 6.863 -12.948 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.847 5.899 -9.774 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.411 5.295 -8.487 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.841 6.112 -7.437 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.524 3.919 -8.325 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.362 5.571 -6.281 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -3.039 3.379 -7.171 1.00 0.00 C ATOM 1688 CZ TYR A 112 -3.459 4.203 -6.156 1.00 0.00 C ATOM 1689 OH TYR A 112 -3.992 3.651 -5.013 1.00 0.00 O ATOM 0 H TYR A 112 -3.033 4.725 -12.052 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.680 6.945 -10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.223 5.156 -10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.200 6.738 -9.518 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.764 7.185 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.201 3.263 -9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.692 6.215 -5.479 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.113 2.307 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.988 2.674 -5.089 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.057 8.538 -11.417 1.00 0.00 N ATOM 1700 CA TRP A 113 -1.427 9.569 -12.252 1.00 0.00 C ATOM 1701 C TRP A 113 -0.244 10.167 -11.479 1.00 0.00 C ATOM 1702 O TRP A 113 -0.252 10.181 -10.238 1.00 0.00 O ATOM 1703 CB TRP A 113 -2.461 10.665 -12.627 1.00 0.00 C ATOM 1704 CG TRP A 113 -3.664 10.129 -13.383 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -3.783 9.963 -14.732 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -4.900 9.668 -12.820 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.007 9.435 -15.040 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.713 9.247 -13.884 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -5.393 9.576 -11.515 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -6.991 8.738 -13.691 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -6.661 9.071 -11.320 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.448 8.657 -12.403 1.00 0.00 C ATOM 0 H TRP A 113 -2.290 8.870 -10.481 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.065 9.129 -13.181 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -2.804 11.157 -11.717 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -1.969 11.425 -13.234 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.020 10.213 -15.454 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.339 9.217 -15.979 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -4.792 9.894 -10.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.600 8.419 -14.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.054 8.993 -10.317 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.437 8.265 -12.217 1.00 0.00 H new ATOM 1723 N GLY A 114 0.760 10.672 -12.213 1.00 0.00 N ATOM 1724 CA GLY A 114 2.010 11.142 -11.620 1.00 0.00 C ATOM 1725 C GLY A 114 1.982 12.595 -11.198 1.00 0.00 C ATOM 1726 O GLY A 114 2.931 13.327 -11.484 1.00 0.00 O ATOM 0 H GLY A 114 0.723 10.763 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.242 10.526 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.818 10.998 -12.338 1.00 0.00 H new ATOM 1730 N GLN A 115 0.886 12.996 -10.497 1.00 0.00 N ATOM 1731 CA GLN A 115 0.627 14.377 -10.009 1.00 0.00 C ATOM 1732 C GLN A 115 0.240 15.331 -11.161 1.00 0.00 C ATOM 1733 O GLN A 115 -0.716 16.107 -11.028 1.00 0.00 O ATOM 1734 CB GLN A 115 1.818 14.952 -9.182 1.00 0.00 C ATOM 1735 CG GLN A 115 2.179 14.126 -7.929 1.00 0.00 C ATOM 1736 CD GLN A 115 3.435 14.631 -7.224 1.00 0.00 C ATOM 1737 OE1 GLN A 115 3.372 15.475 -6.338 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.589 14.138 -7.639 1.00 0.00 N ATOM 0 H GLN A 115 0.138 12.348 -10.250 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.226 14.305 -9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.695 15.015 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.574 15.969 -8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.342 14.151 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.324 13.085 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.607 13.436 -8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.461 14.459 -7.219 1.00 0.00 H new ATOM 1747 N GLY A 116 0.985 15.280 -12.280 1.00 0.00 N ATOM 1748 CA GLY A 116 0.725 16.119 -13.435 1.00 0.00 C ATOM 1749 C GLY A 116 1.636 17.331 -13.448 1.00 0.00 C ATOM 1750 O GLY A 116 1.509 18.209 -12.587 1.00 0.00 O ATOM 0 H GLY A 116 1.781 14.652 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.871 15.541 -14.348 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.316 16.443 -13.426 1.00 0.00 H new ATOM 1754 N THR A 117 2.558 17.384 -14.417 1.00 0.00 N ATOM 1755 CA THR A 117 3.484 18.504 -14.576 1.00 0.00 C ATOM 1756 C THR A 117 2.949 19.487 -15.661 1.00 0.00 C ATOM 1757 O THR A 117 2.640 19.101 -16.802 1.00 0.00 O ATOM 1758 CB THR A 117 4.940 17.989 -14.902 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.885 19.058 -14.798 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.063 17.337 -16.293 1.00 0.00 C ATOM 0 H THR A 117 2.680 16.648 -15.113 1.00 0.00 H new ATOM 0 HA THR A 117 3.548 19.051 -13.635 1.00 0.00 H new ATOM 0 HB THR A 117 5.156 17.218 -14.163 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.795 18.696 -14.843 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.090 17.006 -16.450 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.392 16.480 -16.354 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.794 18.063 -17.060 1.00 0.00 H new ATOM 1768 N GLN A 118 2.780 20.757 -15.251 1.00 0.00 N ATOM 1769 CA GLN A 118 2.263 21.842 -16.104 1.00 0.00 C ATOM 1770 C GLN A 118 3.373 22.392 -17.008 1.00 0.00 C ATOM 1771 O GLN A 118 4.259 23.115 -16.541 1.00 0.00 O ATOM 1772 CB GLN A 118 1.649 22.980 -15.210 1.00 0.00 C ATOM 1773 CG GLN A 118 0.118 22.894 -15.014 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.667 23.394 -16.238 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -1.011 24.573 -16.324 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.917 22.523 -17.205 1.00 0.00 N ATOM 0 H GLN A 118 3.002 21.063 -14.304 1.00 0.00 H new ATOM 0 HA GLN A 118 1.477 21.444 -16.745 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.129 22.953 -14.232 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.891 23.944 -15.657 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.160 21.861 -14.807 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.166 23.482 -14.141 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.620 21.552 -17.106 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.406 22.823 -18.048 1.00 0.00 H new ATOM 1785 N VAL A 119 3.340 22.013 -18.297 1.00 0.00 N ATOM 1786 CA VAL A 119 4.231 22.588 -19.315 1.00 0.00 C ATOM 1787 C VAL A 119 3.418 23.553 -20.190 1.00 0.00 C ATOM 1788 O VAL A 119 2.196 23.396 -20.355 1.00 0.00 O ATOM 1789 CB VAL A 119 4.937 21.487 -20.207 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.511 20.342 -19.338 1.00 0.00 C ATOM 1791 CG2 VAL A 119 4.014 20.936 -21.316 1.00 0.00 C ATOM 0 H VAL A 119 2.700 21.306 -18.659 1.00 0.00 H new ATOM 0 HA VAL A 119 5.032 23.120 -18.803 1.00 0.00 H new ATOM 0 HB VAL A 119 5.768 21.982 -20.709 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.989 19.602 -19.980 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.245 20.747 -18.642 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.703 19.869 -18.779 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.550 20.185 -21.896 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.132 20.483 -20.863 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.707 21.751 -21.972 1.00 0.00 H new ATOM 1801 N THR A 120 4.089 24.568 -20.718 1.00 0.00 N ATOM 1802 CA THR A 120 3.484 25.547 -21.617 1.00 0.00 C ATOM 1803 C THR A 120 4.416 25.783 -22.798 1.00 0.00 C ATOM 1804 O THR A 120 5.523 26.261 -22.618 1.00 0.00 O ATOM 1805 CB THR A 120 3.201 26.891 -20.862 1.00 0.00 C ATOM 1806 OG1 THR A 120 2.258 26.663 -19.794 1.00 0.00 O ATOM 1807 CG2 THR A 120 2.661 27.991 -21.797 1.00 0.00 C ATOM 0 H THR A 120 5.078 24.738 -20.534 1.00 0.00 H new ATOM 0 HA THR A 120 2.531 25.162 -21.980 1.00 0.00 H new ATOM 0 HB THR A 120 4.152 27.240 -20.460 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.086 27.506 -19.324 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.482 28.900 -21.223 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.392 28.194 -22.580 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.727 27.658 -22.250 1.00 0.00 H new ATOM 1815 N VAL A 121 4.010 25.416 -24.005 1.00 0.00 N ATOM 1816 CA VAL A 121 4.748 25.827 -25.199 1.00 0.00 C ATOM 1817 C VAL A 121 4.128 27.136 -25.713 1.00 0.00 C ATOM 1818 O VAL A 121 3.000 27.134 -26.201 1.00 0.00 O ATOM 1819 CB VAL A 121 4.759 24.717 -26.299 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.643 25.131 -27.502 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.231 23.371 -25.696 1.00 0.00 C ATOM 0 H VAL A 121 3.186 24.843 -24.187 1.00 0.00 H new ATOM 0 HA VAL A 121 5.795 25.989 -24.941 1.00 0.00 H new ATOM 0 HB VAL A 121 3.742 24.590 -26.670 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.632 24.339 -28.251 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.254 26.051 -27.940 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.666 25.295 -27.163 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.234 22.606 -26.472 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.238 23.485 -25.295 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.553 23.073 -24.896 1.00 0.00 H new ATOM 1831 N SER A 122 4.825 28.267 -25.490 1.00 0.00 N ATOM 1832 CA SER A 122 4.409 29.566 -26.048 1.00 0.00 C ATOM 1833 C SER A 122 4.692 29.634 -27.566 1.00 0.00 C ATOM 1834 O SER A 122 5.544 28.904 -28.081 1.00 0.00 O ATOM 1835 CB SER A 122 5.134 30.709 -25.325 1.00 0.00 C ATOM 1836 OG SER A 122 4.593 31.969 -25.675 1.00 0.00 O ATOM 0 H SER A 122 5.676 28.306 -24.929 1.00 0.00 H new ATOM 0 HA SER A 122 3.335 29.672 -25.896 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.058 30.566 -24.247 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.195 30.685 -25.575 1.00 0.00 H new ATOM 0 HG SER A 122 5.075 32.676 -25.197 1.00 0.00 H new ATOM 1842 N SER A 123 3.973 30.530 -28.265 1.00 0.00 N ATOM 1843 CA SER A 123 4.110 30.733 -29.718 1.00 0.00 C ATOM 1844 C SER A 123 5.264 31.711 -30.025 1.00 0.00 C ATOM 1845 O SER A 123 5.037 32.881 -30.352 1.00 0.00 O ATOM 1846 CB SER A 123 2.758 31.216 -30.309 1.00 0.00 C ATOM 1847 OG SER A 123 2.258 32.351 -29.619 1.00 0.00 O ATOM 0 H SER A 123 3.276 31.138 -27.835 1.00 0.00 H new ATOM 0 HA SER A 123 4.364 29.786 -30.195 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.888 31.460 -31.363 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.029 30.408 -30.256 1.00 0.00 H new ATOM 0 HG SER A 123 2.961 33.031 -29.555 1.00 0.00 H new ATOM 1853 N LEU A 124 6.509 31.205 -29.846 1.00 0.00 N ATOM 1854 CA LEU A 124 7.784 31.948 -30.055 1.00 0.00 C ATOM 1855 C LEU A 124 8.068 33.020 -28.970 1.00 0.00 C ATOM 1856 O LEU A 124 9.209 33.505 -28.898 1.00 0.00 O ATOM 1857 CB LEU A 124 7.907 32.566 -31.492 1.00 0.00 C ATOM 1858 CG LEU A 124 8.257 31.589 -32.667 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.567 30.814 -32.397 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.095 30.638 -32.998 1.00 0.00 C ATOM 0 H LEU A 124 6.662 30.243 -29.544 1.00 0.00 H new ATOM 0 HA LEU A 124 8.557 31.185 -29.956 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.963 33.056 -31.730 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.671 33.343 -31.461 1.00 0.00 H new ATOM 0 HG LEU A 124 8.421 32.207 -33.550 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.775 30.148 -33.234 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.390 31.519 -32.282 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.461 30.228 -31.484 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.385 29.981 -33.818 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.854 30.038 -32.120 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.221 31.220 -33.291 1.00 0.00 H new