USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 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 65 ASN : amide:sc= 0.106 K(o=1.4,f=0.84) USER MOD Set 1.2: A 67 TYR OH : rot 90:sc= 1.26 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.761 USER MOD Set 2.2: A 38 GLN : amide:sc= -1.63 X(o=-2.4,f=-2.8) USER MOD Single : A 15 ASN : amide:sc= -0.67 K(o=-0.67,f=-8.2!) USER MOD Single : A 17 HIS : no HE2:sc= 0.29 K(o=0.29,f=-2.3!) USER MOD Single : A 21 TYR OH : rot -118:sc= -0.125 USER MOD Single : A 22 GLN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : A 23 GLN : amide:sc= 0.723 K(o=0.72,f=-6.6!) USER MOD Single : A 30 GLN : amide:sc= 0.783 K(o=0.78,f=-3.5!) USER MOD Single : A 33 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.006) USER MOD Single : A 37 GLN : amide:sc= -0.679! C(o=-0.68!,f=-10!) USER MOD Single : A 40 HIS : no HE2:sc= 0.233 K(o=0.23,f=-3.1!) USER MOD Single : A 43 SER OG : rot -157:sc= 2.15 USER MOD Single : A 44 ASN : amide:sc= -0.388 K(o=-0.39,f=-8.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 56 MET CE :methyl 168:sc= -0.309 (180deg=-0.667) USER MOD Single : A 60 HIS : no HE2:sc= 0.775 K(o=0.78,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 143:sc= 2.22 (180deg=0.888!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 150:sc= 0 USER MOD Single : A 79 THR OG1 : rot 30:sc= 0.0417 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 85 GLN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 87 MET CE :methyl -168:sc= -0.0656 (180deg=-0.433) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -2:sc= 1.92 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 3.063 0.026 -6.426 1.00 13.45 N ATOM 2 CA ASP A 14 3.250 1.150 -5.516 1.00 13.23 C ATOM 3 C ASP A 14 2.274 2.274 -5.861 1.00 12.41 C ATOM 4 O ASP A 14 1.448 2.641 -5.025 1.00 74.01 O ATOM 5 CB ASP A 14 4.724 1.632 -5.502 1.00 42.20 C ATOM 6 CG ASP A 14 5.306 1.772 -6.887 1.00 72.42 C ATOM 7 OD1 ASP A 14 5.067 2.783 -7.544 1.00 71.55 O ATOM 8 OD2 ASP A 14 5.938 0.819 -7.364 1.00 64.51 O1- ATOM 0 HA ASP A 14 3.029 0.818 -4.502 1.00 13.23 H new ATOM 0 HB2 ASP A 14 4.783 2.592 -4.989 1.00 42.20 H new ATOM 0 HB3 ASP A 14 5.327 0.927 -4.929 1.00 42.20 H new ATOM 13 N ASN A 15 2.365 2.833 -7.060 1.00 50.24 N ATOM 14 CA ASN A 15 1.380 3.805 -7.514 1.00 44.13 C ATOM 15 C ASN A 15 1.327 3.828 -9.045 1.00 52.43 C ATOM 16 O ASN A 15 2.268 4.275 -9.696 1.00 25.20 O ATOM 17 CB ASN A 15 1.718 5.215 -6.982 1.00 54.33 C ATOM 18 CG ASN A 15 0.623 6.247 -7.247 1.00 53.03 C ATOM 19 OD1 ASN A 15 -0.131 6.152 -8.201 1.00 74.35 O ATOM 20 ND2 ASN A 15 0.536 7.242 -6.400 1.00 43.54 N ATOM 0 H ASN A 15 3.106 2.632 -7.732 1.00 50.24 H new ATOM 0 HA ASN A 15 0.405 3.510 -7.125 1.00 44.13 H new ATOM 0 HB2 ASN A 15 1.898 5.156 -5.909 1.00 54.33 H new ATOM 0 HB3 ASN A 15 2.646 5.555 -7.442 1.00 54.33 H new ATOM 0 HD21 ASN A 15 -0.175 7.962 -6.530 1.00 43.54 H new ATOM 0 HD22 ASN A 15 1.179 7.297 -5.610 1.00 43.54 H new ATOM 27 N ARG A 16 0.291 3.237 -9.621 1.00 24.35 N ATOM 28 CA ARG A 16 0.079 3.332 -11.079 1.00 72.54 C ATOM 29 C ARG A 16 -1.143 4.181 -11.358 1.00 33.51 C ATOM 30 O ARG A 16 -1.058 5.302 -11.845 1.00 63.22 O ATOM 31 CB ARG A 16 -0.112 1.934 -11.782 1.00 3.22 C ATOM 32 CG ARG A 16 1.083 0.972 -11.735 1.00 41.21 C ATOM 33 CD ARG A 16 1.411 0.656 -10.318 1.00 14.42 C ATOM 34 NE ARG A 16 2.521 -0.234 -10.094 1.00 10.15 N ATOM 35 CZ ARG A 16 3.675 0.185 -9.622 1.00 1.51 C ATOM 36 NH1 ARG A 16 4.017 1.479 -9.711 1.00 23.52 N1+ ATOM 37 NH2 ARG A 16 4.484 -0.665 -9.030 1.00 22.50 N ATOM 0 H ARG A 16 -0.412 2.692 -9.121 1.00 24.35 H new ATOM 0 HA ARG A 16 0.983 3.782 -11.490 1.00 72.54 H new ATOM 0 HB2 ARG A 16 -0.968 1.437 -11.325 1.00 3.22 H new ATOM 0 HB3 ARG A 16 -0.367 2.110 -12.827 1.00 3.22 H new ATOM 0 HG2 ARG A 16 0.848 0.056 -12.278 1.00 41.21 H new ATOM 0 HG3 ARG A 16 1.945 1.422 -12.227 1.00 41.21 H new ATOM 0 HD2 ARG A 16 1.616 1.592 -9.799 1.00 14.42 H new ATOM 0 HD3 ARG A 16 0.527 0.221 -9.853 1.00 14.42 H new ATOM 0 HE ARG A 16 2.408 -1.225 -10.309 1.00 10.15 H new ATOM 0 HH11 ARG A 16 3.380 2.146 -10.147 1.00 23.52 H new ATOM 0 HH12 ARG A 16 4.914 1.796 -9.343 1.00 23.52 H new ATOM 0 HH21 ARG A 16 4.216 -1.645 -8.938 1.00 22.50 H new ATOM 0 HH22 ARG A 16 5.380 -0.345 -8.662 1.00 22.50 H new ATOM 51 N HIS A 17 -2.272 3.642 -10.977 1.00 41.12 N ATOM 52 CA HIS A 17 -3.583 4.216 -11.266 1.00 72.01 C ATOM 53 C HIS A 17 -3.880 5.410 -10.384 1.00 34.55 C ATOM 54 O HIS A 17 -4.502 6.398 -10.801 1.00 71.23 O ATOM 55 CB HIS A 17 -4.641 3.138 -11.054 1.00 3.33 C ATOM 56 CG HIS A 17 -4.503 1.976 -11.990 1.00 43.42 C ATOM 57 ND1 HIS A 17 -3.901 0.779 -11.654 1.00 2.24 N ATOM 58 CD2 HIS A 17 -4.877 1.852 -13.285 1.00 24.13 C ATOM 59 CE1 HIS A 17 -3.920 0.000 -12.725 1.00 13.41 C ATOM 60 NE2 HIS A 17 -4.504 0.591 -13.746 1.00 4.30 N ATOM 0 H HIS A 17 -2.319 2.773 -10.445 1.00 41.12 H new ATOM 0 HA HIS A 17 -3.592 4.565 -12.298 1.00 72.01 H new ATOM 0 HB2 HIS A 17 -4.581 2.777 -10.027 1.00 3.33 H new ATOM 0 HB3 HIS A 17 -5.629 3.580 -11.179 1.00 3.33 H new ATOM 0 HD1 HIS A 17 -3.511 0.538 -10.743 1.00 2.24 H new ATOM 0 HD2 HIS A 17 -5.383 2.608 -13.867 1.00 24.13 H new ATOM 0 HE1 HIS A 17 -3.507 -0.997 -12.757 1.00 13.41 H new ATOM 68 N ALA A 18 -3.380 5.334 -9.195 1.00 61.34 N ATOM 69 CA ALA A 18 -3.612 6.312 -8.177 1.00 3.22 C ATOM 70 C ALA A 18 -2.981 7.677 -8.472 1.00 22.41 C ATOM 71 O ALA A 18 -3.233 8.644 -7.768 1.00 70.21 O ATOM 72 CB ALA A 18 -3.326 5.771 -6.814 1.00 62.12 C ATOM 0 H ALA A 18 -2.780 4.567 -8.893 1.00 61.34 H new ATOM 0 HA ALA A 18 -4.680 6.528 -8.188 1.00 3.22 H new ATOM 0 HB1 ALA A 18 -3.514 6.544 -6.069 1.00 62.12 H new ATOM 0 HB2 ALA A 18 -3.972 4.915 -6.620 1.00 62.12 H new ATOM 0 HB3 ALA A 18 -2.283 5.459 -6.758 1.00 62.12 H new ATOM 78 N ALA A 19 -2.078 7.724 -9.439 1.00 11.52 N ATOM 79 CA ALA A 19 -1.525 8.991 -9.917 1.00 21.11 C ATOM 80 C ALA A 19 -2.667 9.954 -10.318 1.00 1.43 C ATOM 81 O ALA A 19 -2.581 11.157 -10.093 1.00 51.54 O ATOM 82 CB ALA A 19 -0.588 8.752 -11.091 1.00 2.31 C ATOM 0 H ALA A 19 -1.709 6.899 -9.912 1.00 11.52 H new ATOM 0 HA ALA A 19 -0.952 9.450 -9.111 1.00 21.11 H new ATOM 0 HB1 ALA A 19 -0.185 9.705 -11.435 1.00 2.31 H new ATOM 0 HB2 ALA A 19 0.230 8.104 -10.777 1.00 2.31 H new ATOM 0 HB3 ALA A 19 -1.137 8.276 -11.903 1.00 2.31 H new ATOM 88 N ASP A 20 -3.749 9.395 -10.873 1.00 23.21 N ATOM 89 CA ASP A 20 -4.944 10.184 -11.225 1.00 30.13 C ATOM 90 C ASP A 20 -5.648 10.579 -9.927 1.00 5.24 C ATOM 91 O ASP A 20 -6.066 11.716 -9.748 1.00 74.21 O ATOM 92 CB ASP A 20 -5.884 9.357 -12.141 1.00 4.12 C ATOM 93 CG ASP A 20 -7.123 10.113 -12.653 1.00 55.14 C ATOM 94 OD1 ASP A 20 -6.993 11.086 -13.400 1.00 35.41 O ATOM 95 OD2 ASP A 20 -8.256 9.682 -12.385 1.00 41.12 O1- ATOM 0 H ASP A 20 -3.825 8.401 -11.089 1.00 23.21 H new ATOM 0 HA ASP A 20 -4.660 11.081 -11.776 1.00 30.13 H new ATOM 0 HB2 ASP A 20 -5.312 9.004 -12.999 1.00 4.12 H new ATOM 0 HB3 ASP A 20 -6.216 8.475 -11.594 1.00 4.12 H new ATOM 100 N TYR A 21 -5.664 9.629 -8.980 1.00 30.01 N ATOM 101 CA TYR A 21 -6.244 9.784 -7.624 1.00 21.33 C ATOM 102 C TYR A 21 -5.626 10.961 -6.859 1.00 30.02 C ATOM 103 O TYR A 21 -6.253 11.495 -5.937 1.00 10.42 O ATOM 104 CB TYR A 21 -6.103 8.458 -6.832 1.00 70.43 C ATOM 105 CG TYR A 21 -6.543 8.486 -5.376 1.00 62.10 C ATOM 106 CD1 TYR A 21 -5.606 8.522 -4.345 1.00 14.51 C ATOM 107 CD2 TYR A 21 -7.879 8.462 -5.029 1.00 64.22 C ATOM 108 CE1 TYR A 21 -5.983 8.530 -3.046 1.00 22.10 C ATOM 109 CE2 TYR A 21 -8.265 8.477 -3.712 1.00 74.13 C ATOM 110 CZ TYR A 21 -7.301 8.511 -2.722 1.00 74.43 C ATOM 111 OH TYR A 21 -7.649 8.512 -1.399 1.00 14.43 O ATOM 0 H TYR A 21 -5.264 8.703 -9.134 1.00 30.01 H new ATOM 0 HA TYR A 21 -7.303 10.014 -7.738 1.00 21.33 H new ATOM 0 HB2 TYR A 21 -6.679 7.690 -7.348 1.00 70.43 H new ATOM 0 HB3 TYR A 21 -5.058 8.150 -6.867 1.00 70.43 H new ATOM 0 HD1 TYR A 21 -4.554 8.544 -4.589 1.00 14.51 H new ATOM 0 HD2 TYR A 21 -8.630 8.431 -5.804 1.00 64.22 H new ATOM 0 HE1 TYR A 21 -5.236 8.552 -2.267 1.00 22.10 H new ATOM 0 HE2 TYR A 21 -9.313 8.462 -3.451 1.00 74.13 H new ATOM 0 HH TYR A 21 -8.141 7.690 -1.189 1.00 14.43 H new ATOM 121 N GLN A 22 -4.412 11.375 -7.240 1.00 50.04 N ATOM 122 CA GLN A 22 -3.778 12.540 -6.623 1.00 33.52 C ATOM 123 C GLN A 22 -4.690 13.747 -6.820 1.00 32.21 C ATOM 124 O GLN A 22 -4.996 14.462 -5.872 1.00 33.11 O ATOM 125 CB GLN A 22 -2.415 12.840 -7.238 1.00 60.35 C ATOM 126 CG GLN A 22 -1.621 13.879 -6.452 1.00 22.43 C ATOM 127 CD GLN A 22 -0.401 14.374 -7.188 1.00 34.04 C ATOM 128 OE1 GLN A 22 0.675 13.789 -7.098 1.00 5.02 O ATOM 129 NE2 GLN A 22 -0.536 15.486 -7.860 1.00 12.32 N ATOM 0 H GLN A 22 -3.855 10.924 -7.966 1.00 50.04 H new ATOM 0 HA GLN A 22 -3.625 12.328 -5.565 1.00 33.52 H new ATOM 0 HB2 GLN A 22 -1.838 11.917 -7.296 1.00 60.35 H new ATOM 0 HB3 GLN A 22 -2.554 13.194 -8.260 1.00 60.35 H new ATOM 0 HG2 GLN A 22 -2.268 14.726 -6.224 1.00 22.43 H new ATOM 0 HG3 GLN A 22 -1.313 13.448 -5.500 1.00 22.43 H new ATOM 0 HE21 GLN A 22 -1.446 15.943 -7.912 1.00 12.32 H new ATOM 0 HE22 GLN A 22 0.269 15.897 -8.333 1.00 12.32 H new ATOM 138 N GLN A 23 -5.202 13.885 -8.042 1.00 43.40 N ATOM 139 CA GLN A 23 -6.119 14.958 -8.395 1.00 32.11 C ATOM 140 C GLN A 23 -7.419 14.848 -7.637 1.00 71.22 C ATOM 141 O GLN A 23 -8.060 15.854 -7.341 1.00 51.52 O ATOM 142 CB GLN A 23 -6.368 15.006 -9.906 1.00 62.31 C ATOM 143 CG GLN A 23 -5.213 15.612 -10.670 1.00 61.03 C ATOM 144 CD GLN A 23 -5.031 17.076 -10.314 1.00 2.43 C ATOM 145 OE1 GLN A 23 -6.006 17.789 -10.017 1.00 25.22 O ATOM 146 NE2 GLN A 23 -3.814 17.521 -10.286 1.00 12.15 N ATOM 0 H GLN A 23 -4.990 13.253 -8.814 1.00 43.40 H new ATOM 0 HA GLN A 23 -5.645 15.896 -8.105 1.00 32.11 H new ATOM 0 HB2 GLN A 23 -6.550 13.996 -10.272 1.00 62.31 H new ATOM 0 HB3 GLN A 23 -7.271 15.584 -10.103 1.00 62.31 H new ATOM 0 HG2 GLN A 23 -4.298 15.064 -10.447 1.00 61.03 H new ATOM 0 HG3 GLN A 23 -5.390 15.514 -11.741 1.00 61.03 H new ATOM 0 HE21 GLN A 23 -3.040 16.906 -10.536 1.00 12.15 H new ATOM 0 HE22 GLN A 23 -3.630 18.487 -10.013 1.00 12.15 H new ATOM 155 N LEU A 24 -7.799 13.633 -7.291 1.00 64.33 N ATOM 156 CA LEU A 24 -8.991 13.433 -6.503 1.00 33.25 C ATOM 157 C LEU A 24 -8.750 13.896 -5.079 1.00 52.22 C ATOM 158 O LEU A 24 -9.624 14.429 -4.460 1.00 12.24 O ATOM 159 CB LEU A 24 -9.522 11.965 -6.591 1.00 5.52 C ATOM 160 CG LEU A 24 -10.791 11.613 -5.798 1.00 53.54 C ATOM 161 CD1 LEU A 24 -11.435 10.408 -6.408 1.00 4.11 C ATOM 162 CD2 LEU A 24 -10.463 11.294 -4.356 1.00 31.43 C ATOM 0 H LEU A 24 -7.302 12.779 -7.542 1.00 64.33 H new ATOM 0 HA LEU A 24 -9.790 14.046 -6.920 1.00 33.25 H new ATOM 0 HB2 LEU A 24 -9.710 11.739 -7.641 1.00 5.52 H new ATOM 0 HB3 LEU A 24 -8.725 11.300 -6.259 1.00 5.52 H new ATOM 0 HG LEU A 24 -11.460 12.473 -5.830 1.00 53.54 H new ATOM 0 HD11 LEU A 24 -12.336 10.154 -5.849 1.00 4.11 H new ATOM 0 HD12 LEU A 24 -11.699 10.622 -7.444 1.00 4.11 H new ATOM 0 HD13 LEU A 24 -10.740 9.569 -6.376 1.00 4.11 H new ATOM 0 HD21 LEU A 24 -11.380 11.049 -3.820 1.00 31.43 H new ATOM 0 HD22 LEU A 24 -9.782 10.444 -4.317 1.00 31.43 H new ATOM 0 HD23 LEU A 24 -9.991 12.159 -3.890 1.00 31.43 H new ATOM 174 N ARG A 25 -7.535 13.761 -4.605 1.00 44.01 N ATOM 175 CA ARG A 25 -7.200 14.159 -3.250 1.00 22.01 C ATOM 176 C ARG A 25 -7.101 15.638 -3.212 1.00 5.21 C ATOM 177 O ARG A 25 -7.710 16.277 -2.381 1.00 52.11 O ATOM 178 CB ARG A 25 -5.886 13.536 -2.824 1.00 5.22 C ATOM 179 CG ARG A 25 -5.952 12.043 -2.728 1.00 4.05 C ATOM 180 CD ARG A 25 -6.536 11.559 -1.498 1.00 12.20 C ATOM 181 NE ARG A 25 -5.735 11.850 -0.316 1.00 74.24 N ATOM 182 CZ ARG A 25 -5.511 10.954 0.659 1.00 53.44 C ATOM 183 NH1 ARG A 25 -5.959 9.707 0.536 1.00 43.31 N1+ ATOM 184 NH2 ARG A 25 -4.845 11.301 1.746 1.00 43.34 N ATOM 0 H ARG A 25 -6.754 13.377 -5.137 1.00 44.01 H new ATOM 0 HA ARG A 25 -7.972 13.816 -2.561 1.00 22.01 H new ATOM 0 HB2 ARG A 25 -5.110 13.815 -3.536 1.00 5.22 H new ATOM 0 HB3 ARG A 25 -5.593 13.944 -1.857 1.00 5.22 H new ATOM 0 HG2 ARG A 25 -6.531 11.660 -3.568 1.00 4.05 H new ATOM 0 HG3 ARG A 25 -4.945 11.638 -2.824 1.00 4.05 H new ATOM 0 HD2 ARG A 25 -7.524 12.003 -1.375 1.00 12.20 H new ATOM 0 HD3 ARG A 25 -6.679 10.481 -1.573 1.00 12.20 H new ATOM 0 HE ARG A 25 -5.325 12.779 -0.225 1.00 74.24 H new ATOM 0 HH11 ARG A 25 -6.474 9.430 -0.300 1.00 43.31 H new ATOM 0 HH12 ARG A 25 -5.788 9.028 1.278 1.00 43.31 H new ATOM 0 HH21 ARG A 25 -4.497 12.254 1.849 1.00 43.34 H new ATOM 0 HH22 ARG A 25 -4.678 10.615 2.483 1.00 43.34 H new ATOM 198 N GLU A 26 -6.361 16.165 -4.158 1.00 52.14 N ATOM 199 CA GLU A 26 -6.201 17.580 -4.338 1.00 14.25 C ATOM 200 C GLU A 26 -7.564 18.276 -4.407 1.00 25.00 C ATOM 201 O GLU A 26 -7.795 19.285 -3.750 1.00 13.21 O ATOM 202 CB GLU A 26 -5.455 17.828 -5.623 1.00 22.52 C ATOM 203 CG GLU A 26 -3.968 17.550 -5.614 1.00 3.35 C ATOM 204 CD GLU A 26 -3.356 17.835 -6.974 1.00 34.30 C ATOM 205 OE1 GLU A 26 -2.804 16.903 -7.591 1.00 71.44 O ATOM 206 OE2 GLU A 26 -3.484 19.003 -7.466 1.00 64.13 O1- ATOM 0 H GLU A 26 -5.844 15.606 -4.837 1.00 52.14 H new ATOM 0 HA GLU A 26 -5.646 17.982 -3.491 1.00 14.25 H new ATOM 0 HB2 GLU A 26 -5.910 17.217 -6.403 1.00 22.52 H new ATOM 0 HB3 GLU A 26 -5.604 18.870 -5.906 1.00 22.52 H new ATOM 0 HG2 GLU A 26 -3.483 18.166 -4.856 1.00 3.35 H new ATOM 0 HG3 GLU A 26 -3.790 16.510 -5.341 1.00 3.35 H new ATOM 213 N ARG A 27 -8.464 17.718 -5.193 1.00 71.12 N ATOM 214 CA ARG A 27 -9.787 18.269 -5.332 1.00 50.33 C ATOM 215 C ARG A 27 -10.691 17.982 -4.130 1.00 44.42 C ATOM 216 O ARG A 27 -11.303 18.880 -3.649 1.00 1.12 O ATOM 217 CB ARG A 27 -10.455 17.859 -6.653 1.00 43.03 C ATOM 218 CG ARG A 27 -10.251 18.803 -7.871 1.00 63.41 C ATOM 219 CD ARG A 27 -8.783 19.094 -8.229 1.00 21.12 C ATOM 220 NE ARG A 27 -8.157 20.091 -7.334 1.00 31.20 N ATOM 221 CZ ARG A 27 -6.836 20.333 -7.256 1.00 21.22 C ATOM 222 NH1 ARG A 27 -5.984 19.696 -8.059 1.00 73.34 N1+ ATOM 223 NH2 ARG A 27 -6.378 21.220 -6.374 1.00 62.24 N ATOM 0 H ARG A 27 -8.296 16.878 -5.746 1.00 71.12 H new ATOM 0 HA ARG A 27 -9.650 19.350 -5.360 1.00 50.33 H new ATOM 0 HB2 ARG A 27 -10.087 16.870 -6.926 1.00 43.03 H new ATOM 0 HB3 ARG A 27 -11.526 17.763 -6.475 1.00 43.03 H new ATOM 0 HG2 ARG A 27 -10.741 18.362 -8.739 1.00 63.41 H new ATOM 0 HG3 ARG A 27 -10.754 19.748 -7.667 1.00 63.41 H new ATOM 0 HD2 ARG A 27 -8.213 18.166 -8.185 1.00 21.12 H new ATOM 0 HD3 ARG A 27 -8.730 19.452 -9.257 1.00 21.12 H new ATOM 0 HE ARG A 27 -8.773 20.636 -6.731 1.00 31.20 H new ATOM 0 HH11 ARG A 27 -6.332 19.020 -8.739 1.00 73.34 H new ATOM 0 HH12 ARG A 27 -4.984 19.885 -7.994 1.00 73.34 H new ATOM 0 HH21 ARG A 27 -7.028 21.712 -5.761 1.00 62.24 H new ATOM 0 HH22 ARG A 27 -5.377 21.407 -6.311 1.00 62.24 H new ATOM 237 N LEU A 28 -10.740 16.743 -3.635 1.00 3.31 N ATOM 238 CA LEU A 28 -11.636 16.379 -2.522 1.00 4.31 C ATOM 239 C LEU A 28 -11.230 17.055 -1.213 1.00 63.02 C ATOM 240 O LEU A 28 -12.077 17.455 -0.412 1.00 20.24 O ATOM 241 CB LEU A 28 -11.668 14.862 -2.337 1.00 71.33 C ATOM 242 CG LEU A 28 -13.037 14.259 -2.052 1.00 32.54 C ATOM 243 CD1 LEU A 28 -12.967 12.757 -2.089 1.00 55.12 C ATOM 244 CD2 LEU A 28 -13.596 14.716 -0.723 1.00 72.51 C ATOM 0 H LEU A 28 -10.172 15.971 -3.984 1.00 3.31 H new ATOM 0 HA LEU A 28 -12.633 16.734 -2.783 1.00 4.31 H new ATOM 0 HB2 LEU A 28 -11.267 14.396 -3.237 1.00 71.33 H new ATOM 0 HB3 LEU A 28 -10.999 14.600 -1.517 1.00 71.33 H new ATOM 0 HG LEU A 28 -13.711 14.611 -2.833 1.00 32.54 H new ATOM 0 HD11 LEU A 28 -13.954 12.342 -1.883 1.00 55.12 H new ATOM 0 HD12 LEU A 28 -12.635 12.432 -3.075 1.00 55.12 H new ATOM 0 HD13 LEU A 28 -12.262 12.407 -1.335 1.00 55.12 H new ATOM 0 HD21 LEU A 28 -14.573 14.260 -0.563 1.00 72.51 H new ATOM 0 HD22 LEU A 28 -12.920 14.416 0.078 1.00 72.51 H new ATOM 0 HD23 LEU A 28 -13.698 15.801 -0.725 1.00 72.51 H new ATOM 256 N ILE A 29 -9.957 17.197 -1.003 1.00 54.23 N ATOM 257 CA ILE A 29 -9.470 17.831 0.195 1.00 30.14 C ATOM 258 C ILE A 29 -9.738 19.351 0.123 1.00 24.53 C ATOM 259 O ILE A 29 -9.936 20.010 1.118 1.00 64.35 O ATOM 260 CB ILE A 29 -7.973 17.416 0.465 1.00 13.53 C ATOM 261 CG1 ILE A 29 -7.974 15.886 0.671 1.00 35.51 C ATOM 262 CG2 ILE A 29 -7.399 18.111 1.698 1.00 71.23 C ATOM 263 CD1 ILE A 29 -6.639 15.186 0.776 1.00 52.41 C ATOM 0 H ILE A 29 -9.230 16.883 -1.645 1.00 54.23 H new ATOM 0 HA ILE A 29 -10.014 17.483 1.073 1.00 30.14 H new ATOM 0 HB ILE A 29 -7.346 17.714 -0.375 1.00 13.53 H new ATOM 0 HG12 ILE A 29 -8.537 15.671 1.580 1.00 35.51 H new ATOM 0 HG13 ILE A 29 -8.523 15.437 -0.157 1.00 35.51 H new ATOM 0 HG21 ILE A 29 -6.366 17.795 1.846 1.00 71.23 H new ATOM 0 HG22 ILE A 29 -7.432 19.191 1.555 1.00 71.23 H new ATOM 0 HG23 ILE A 29 -7.989 17.843 2.574 1.00 71.23 H new ATOM 0 HD11 ILE A 29 -6.799 14.117 0.919 1.00 52.41 H new ATOM 0 HD12 ILE A 29 -6.070 15.349 -0.139 1.00 52.41 H new ATOM 0 HD13 ILE A 29 -6.084 15.586 1.624 1.00 52.41 H new ATOM 275 N GLN A 30 -9.850 19.850 -1.084 1.00 54.01 N ATOM 276 CA GLN A 30 -10.204 21.241 -1.328 1.00 65.35 C ATOM 277 C GLN A 30 -11.755 21.395 -1.283 1.00 43.21 C ATOM 278 O GLN A 30 -12.284 22.383 -0.788 1.00 23.55 O ATOM 279 CB GLN A 30 -9.675 21.625 -2.714 1.00 54.32 C ATOM 280 CG GLN A 30 -9.859 23.072 -3.114 1.00 43.35 C ATOM 281 CD GLN A 30 -9.395 23.334 -4.539 1.00 0.23 C ATOM 282 OE1 GLN A 30 -8.485 22.668 -5.063 1.00 3.02 O ATOM 283 NE2 GLN A 30 -10.011 24.289 -5.181 1.00 64.02 N ATOM 0 H GLN A 30 -9.699 19.306 -1.934 1.00 54.01 H new ATOM 0 HA GLN A 30 -9.768 21.891 -0.569 1.00 65.35 H new ATOM 0 HB2 GLN A 30 -8.611 21.390 -2.754 1.00 54.32 H new ATOM 0 HB3 GLN A 30 -10.168 20.997 -3.456 1.00 54.32 H new ATOM 0 HG2 GLN A 30 -10.911 23.343 -3.020 1.00 43.35 H new ATOM 0 HG3 GLN A 30 -9.302 23.711 -2.428 1.00 43.35 H new ATOM 0 HE21 GLN A 30 -10.753 24.816 -4.721 1.00 64.02 H new ATOM 0 HE22 GLN A 30 -9.750 24.508 -6.142 1.00 64.02 H new ATOM 292 N GLU A 31 -12.425 20.360 -1.782 1.00 34.23 N ATOM 293 CA GLU A 31 -13.891 20.227 -1.950 1.00 61.03 C ATOM 294 C GLU A 31 -14.684 20.647 -0.709 1.00 34.43 C ATOM 295 O GLU A 31 -15.583 21.484 -0.792 1.00 34.03 O ATOM 296 CB GLU A 31 -14.168 18.746 -2.258 1.00 13.13 C ATOM 297 CG GLU A 31 -15.605 18.333 -2.427 1.00 11.45 C ATOM 298 CD GLU A 31 -16.220 18.817 -3.703 1.00 30.35 C ATOM 299 OE1 GLU A 31 -16.156 18.091 -4.715 1.00 71.12 O ATOM 300 OE2 GLU A 31 -16.865 19.881 -3.695 1.00 72.20 O1- ATOM 0 H GLU A 31 -11.934 19.527 -2.106 1.00 34.23 H new ATOM 0 HA GLU A 31 -14.214 20.891 -2.752 1.00 61.03 H new ATOM 0 HB2 GLU A 31 -13.633 18.486 -3.171 1.00 13.13 H new ATOM 0 HB3 GLU A 31 -13.738 18.148 -1.455 1.00 13.13 H new ATOM 0 HG2 GLU A 31 -15.669 17.245 -2.392 1.00 11.45 H new ATOM 0 HG3 GLU A 31 -16.185 18.713 -1.586 1.00 11.45 H new ATOM 307 N LEU A 32 -14.368 20.068 0.431 1.00 63.33 N ATOM 308 CA LEU A 32 -15.089 20.423 1.646 1.00 2.45 C ATOM 309 C LEU A 32 -14.247 21.292 2.560 1.00 52.34 C ATOM 310 O LEU A 32 -14.591 21.469 3.723 1.00 74.10 O ATOM 311 CB LEU A 32 -15.529 19.164 2.388 1.00 21.12 C ATOM 312 CG LEU A 32 -16.480 18.226 1.650 1.00 23.21 C ATOM 313 CD1 LEU A 32 -16.736 16.990 2.487 1.00 54.21 C ATOM 314 CD2 LEU A 32 -17.792 18.927 1.323 1.00 33.23 C ATOM 0 H LEU A 32 -13.637 19.367 0.547 1.00 63.33 H new ATOM 0 HA LEU A 32 -15.969 20.995 1.352 1.00 2.45 H new ATOM 0 HB2 LEU A 32 -14.636 18.599 2.657 1.00 21.12 H new ATOM 0 HB3 LEU A 32 -16.007 19.468 3.319 1.00 21.12 H new ATOM 0 HG LEU A 32 -16.014 17.930 0.710 1.00 23.21 H new ATOM 0 HD11 LEU A 32 -17.416 16.324 1.955 1.00 54.21 H new ATOM 0 HD12 LEU A 32 -15.794 16.474 2.672 1.00 54.21 H new ATOM 0 HD13 LEU A 32 -17.183 17.281 3.438 1.00 54.21 H new ATOM 0 HD21 LEU A 32 -18.452 18.237 0.797 1.00 33.23 H new ATOM 0 HD22 LEU A 32 -18.270 19.254 2.247 1.00 33.23 H new ATOM 0 HD23 LEU A 32 -17.594 19.793 0.691 1.00 33.23 H new ATOM 326 N ASN A 33 -13.176 21.872 2.006 1.00 64.12 N ATOM 327 CA ASN A 33 -12.201 22.667 2.780 1.00 31.45 C ATOM 328 C ASN A 33 -11.650 21.788 3.911 1.00 74.25 C ATOM 329 O ASN A 33 -11.783 22.071 5.116 1.00 34.11 O ATOM 330 CB ASN A 33 -12.824 23.986 3.316 1.00 44.43 C ATOM 331 CG ASN A 33 -11.801 24.957 3.917 1.00 3.20 C ATOM 332 OD1 ASN A 33 -11.258 25.810 3.227 1.00 41.15 O ATOM 333 ND2 ASN A 33 -11.537 24.837 5.193 1.00 4.53 N ATOM 0 H ASN A 33 -12.956 21.807 1.012 1.00 64.12 H new ATOM 0 HA ASN A 33 -11.382 22.973 2.129 1.00 31.45 H new ATOM 0 HB2 ASN A 33 -13.349 24.485 2.502 1.00 44.43 H new ATOM 0 HB3 ASN A 33 -13.568 23.743 4.074 1.00 44.43 H new ATOM 0 HD21 ASN A 33 -10.864 25.463 5.636 1.00 4.53 H new ATOM 0 HD22 ASN A 33 -12.004 24.117 5.745 1.00 4.53 H new ATOM 340 N LEU A 34 -11.080 20.701 3.497 1.00 14.41 N ATOM 341 CA LEU A 34 -10.559 19.705 4.367 1.00 14.43 C ATOM 342 C LEU A 34 -9.050 19.835 4.420 1.00 22.41 C ATOM 343 O LEU A 34 -8.446 20.566 3.647 1.00 31.52 O ATOM 344 CB LEU A 34 -10.972 18.299 3.857 1.00 32.11 C ATOM 345 CG LEU A 34 -12.463 17.925 3.997 1.00 35.32 C ATOM 346 CD1 LEU A 34 -12.873 16.856 2.967 1.00 31.43 C ATOM 347 CD2 LEU A 34 -12.733 17.388 5.394 1.00 23.14 C ATOM 0 H LEU A 34 -10.962 20.479 2.509 1.00 14.41 H new ATOM 0 HA LEU A 34 -10.961 19.838 5.371 1.00 14.43 H new ATOM 0 HB2 LEU A 34 -10.699 18.224 2.804 1.00 32.11 H new ATOM 0 HB3 LEU A 34 -10.382 17.555 4.393 1.00 32.11 H new ATOM 0 HG LEU A 34 -13.048 18.827 3.819 1.00 35.32 H new ATOM 0 HD11 LEU A 34 -13.929 16.615 3.093 1.00 31.43 H new ATOM 0 HD12 LEU A 34 -12.705 17.238 1.960 1.00 31.43 H new ATOM 0 HD13 LEU A 34 -12.275 15.957 3.118 1.00 31.43 H new ATOM 0 HD21 LEU A 34 -13.787 17.126 5.486 1.00 23.14 H new ATOM 0 HD22 LEU A 34 -12.122 16.502 5.567 1.00 23.14 H new ATOM 0 HD23 LEU A 34 -12.483 18.151 6.132 1.00 23.14 H new ATOM 359 N THR A 35 -8.469 19.156 5.335 1.00 22.21 N ATOM 360 CA THR A 35 -7.057 19.106 5.512 1.00 23.12 C ATOM 361 C THR A 35 -6.737 17.672 5.886 1.00 22.02 C ATOM 362 O THR A 35 -7.642 16.972 6.336 1.00 20.13 O ATOM 363 CB THR A 35 -6.602 20.090 6.634 1.00 25.22 C ATOM 364 OG1 THR A 35 -7.479 19.990 7.771 1.00 53.24 O ATOM 365 CG2 THR A 35 -6.553 21.533 6.143 1.00 42.24 C ATOM 0 H THR A 35 -8.981 18.593 6.014 1.00 22.21 H new ATOM 0 HA THR A 35 -6.531 19.407 4.606 1.00 23.12 H new ATOM 0 HB THR A 35 -5.592 19.804 6.926 1.00 25.22 H new ATOM 0 HG1 THR A 35 -7.182 20.611 8.469 1.00 53.24 H new ATOM 0 HG21 THR A 35 -6.231 22.183 6.956 1.00 42.24 H new ATOM 0 HG22 THR A 35 -5.848 21.612 5.315 1.00 42.24 H new ATOM 0 HG23 THR A 35 -7.544 21.836 5.806 1.00 42.24 H new ATOM 373 N PRO A 36 -5.495 17.191 5.706 1.00 30.35 N ATOM 374 CA PRO A 36 -5.132 15.787 6.018 1.00 73.15 C ATOM 375 C PRO A 36 -5.406 15.393 7.494 1.00 51.51 C ATOM 376 O PRO A 36 -5.498 14.224 7.821 1.00 12.25 O ATOM 377 CB PRO A 36 -3.627 15.735 5.728 1.00 22.45 C ATOM 378 CG PRO A 36 -3.386 16.850 4.773 1.00 34.34 C ATOM 379 CD PRO A 36 -4.344 17.939 5.160 1.00 43.24 C ATOM 0 HA PRO A 36 -5.727 15.087 5.432 1.00 73.15 H new ATOM 0 HB2 PRO A 36 -3.044 15.862 6.640 1.00 22.45 H new ATOM 0 HB3 PRO A 36 -3.340 14.776 5.297 1.00 22.45 H new ATOM 0 HG2 PRO A 36 -2.355 17.198 4.832 1.00 34.34 H new ATOM 0 HG3 PRO A 36 -3.556 16.528 3.746 1.00 34.34 H new ATOM 0 HD2 PRO A 36 -3.912 18.612 5.901 1.00 43.24 H new ATOM 0 HD3 PRO A 36 -4.629 18.549 4.303 1.00 43.24 H new ATOM 387 N GLN A 37 -5.520 16.393 8.365 1.00 11.43 N ATOM 388 CA GLN A 37 -5.800 16.163 9.777 1.00 53.42 C ATOM 389 C GLN A 37 -7.263 15.763 9.992 1.00 25.14 C ATOM 390 O GLN A 37 -7.580 15.007 10.897 1.00 14.41 O ATOM 391 CB GLN A 37 -5.464 17.398 10.653 1.00 24.53 C ATOM 392 CG GLN A 37 -4.009 17.888 10.590 1.00 43.11 C ATOM 393 CD GLN A 37 -3.716 18.857 9.441 1.00 13.41 C ATOM 394 OE1 GLN A 37 -4.344 18.830 8.387 1.00 44.45 O ATOM 395 NE2 GLN A 37 -2.755 19.720 9.643 1.00 54.45 N ATOM 0 H GLN A 37 -5.422 17.377 8.113 1.00 11.43 H new ATOM 0 HA GLN A 37 -5.153 15.343 10.089 1.00 53.42 H new ATOM 0 HB2 GLN A 37 -6.117 18.219 10.356 1.00 24.53 H new ATOM 0 HB3 GLN A 37 -5.703 17.160 11.690 1.00 24.53 H new ATOM 0 HG2 GLN A 37 -3.762 18.376 11.533 1.00 43.11 H new ATOM 0 HG3 GLN A 37 -3.351 17.024 10.497 1.00 43.11 H new ATOM 0 HE21 GLN A 37 -2.248 19.721 10.528 1.00 54.45 H new ATOM 0 HE22 GLN A 37 -2.512 20.392 8.915 1.00 54.45 H new ATOM 404 N GLN A 38 -8.146 16.292 9.162 1.00 63.13 N ATOM 405 CA GLN A 38 -9.565 15.962 9.250 1.00 14.43 C ATOM 406 C GLN A 38 -9.932 14.905 8.234 1.00 33.12 C ATOM 407 O GLN A 38 -10.814 14.072 8.468 1.00 33.52 O ATOM 408 CB GLN A 38 -10.469 17.211 9.131 1.00 32.51 C ATOM 409 CG GLN A 38 -10.086 18.163 8.036 1.00 53.15 C ATOM 410 CD GLN A 38 -10.987 19.373 7.964 1.00 73.34 C ATOM 411 OE1 GLN A 38 -12.157 19.308 8.283 1.00 63.11 O ATOM 412 NE2 GLN A 38 -10.432 20.486 7.572 1.00 21.01 N ATOM 0 H GLN A 38 -7.910 16.951 8.420 1.00 63.13 H new ATOM 0 HA GLN A 38 -9.743 15.551 10.244 1.00 14.43 H new ATOM 0 HB2 GLN A 38 -11.496 16.885 8.967 1.00 32.51 H new ATOM 0 HB3 GLN A 38 -10.453 17.746 10.081 1.00 32.51 H new ATOM 0 HG2 GLN A 38 -9.058 18.491 8.190 1.00 53.15 H new ATOM 0 HG3 GLN A 38 -10.113 17.639 7.081 1.00 53.15 H new ATOM 0 HE21 GLN A 38 -9.446 20.500 7.312 1.00 21.01 H new ATOM 0 HE22 GLN A 38 -10.984 21.342 7.525 1.00 21.01 H new ATOM 421 N LEU A 39 -9.247 14.914 7.116 1.00 22.23 N ATOM 422 CA LEU A 39 -9.471 13.928 6.119 1.00 35.21 C ATOM 423 C LEU A 39 -8.285 12.985 6.134 1.00 61.35 C ATOM 424 O LEU A 39 -7.274 13.219 5.466 1.00 31.35 O ATOM 425 CB LEU A 39 -9.644 14.541 4.714 1.00 72.15 C ATOM 426 CG LEU A 39 -10.590 13.797 3.740 1.00 33.03 C ATOM 427 CD1 LEU A 39 -10.432 14.314 2.331 1.00 21.02 C ATOM 428 CD2 LEU A 39 -10.407 12.294 3.782 1.00 24.00 C ATOM 0 H LEU A 39 -8.530 15.601 6.885 1.00 22.23 H new ATOM 0 HA LEU A 39 -10.399 13.402 6.342 1.00 35.21 H new ATOM 0 HB2 LEU A 39 -10.010 15.561 4.831 1.00 72.15 H new ATOM 0 HB3 LEU A 39 -8.661 14.607 4.249 1.00 72.15 H new ATOM 0 HG LEU A 39 -11.606 14.003 4.076 1.00 33.03 H new ATOM 0 HD11 LEU A 39 -11.108 13.774 1.668 1.00 21.02 H new ATOM 0 HD12 LEU A 39 -10.670 15.377 2.305 1.00 21.02 H new ATOM 0 HD13 LEU A 39 -9.404 14.164 2.002 1.00 21.02 H new ATOM 0 HD21 LEU A 39 -11.095 11.824 3.080 1.00 24.00 H new ATOM 0 HD22 LEU A 39 -9.382 12.044 3.508 1.00 24.00 H new ATOM 0 HD23 LEU A 39 -10.612 11.931 4.789 1.00 24.00 H new ATOM 440 N HIS A 40 -8.400 11.993 6.947 1.00 32.20 N ATOM 441 CA HIS A 40 -7.440 10.943 7.063 1.00 72.34 C ATOM 442 C HIS A 40 -7.975 9.855 6.151 1.00 62.01 C ATOM 443 O HIS A 40 -9.147 9.940 5.745 1.00 61.11 O ATOM 444 CB HIS A 40 -7.415 10.463 8.530 1.00 64.01 C ATOM 445 CG HIS A 40 -6.226 9.632 8.939 1.00 74.41 C ATOM 446 ND1 HIS A 40 -6.205 8.254 8.973 1.00 23.10 N ATOM 447 CD2 HIS A 40 -5.020 10.024 9.421 1.00 74.32 C ATOM 448 CE1 HIS A 40 -5.047 7.865 9.468 1.00 2.14 C ATOM 449 NE2 HIS A 40 -4.275 8.897 9.757 1.00 73.42 N ATOM 0 H HIS A 40 -9.196 11.884 7.576 1.00 32.20 H new ATOM 0 HA HIS A 40 -6.426 11.237 6.794 1.00 72.34 H new ATOM 0 HB2 HIS A 40 -7.460 11.339 9.178 1.00 64.01 H new ATOM 0 HB3 HIS A 40 -8.319 9.883 8.716 1.00 64.01 H new ATOM 0 HD1 HIS A 40 -6.959 7.639 8.667 1.00 23.10 H new ATOM 0 HD2 HIS A 40 -4.690 11.047 9.527 1.00 74.32 H new ATOM 0 HE1 HIS A 40 -4.765 6.833 9.618 1.00 2.14 H new ATOM 457 N GLU A 41 -7.177 8.873 5.805 1.00 5.00 N ATOM 458 CA GLU A 41 -7.622 7.797 4.904 1.00 33.21 C ATOM 459 C GLU A 41 -8.934 7.160 5.426 1.00 51.23 C ATOM 460 O GLU A 41 -9.891 6.920 4.667 1.00 1.23 O ATOM 461 CB GLU A 41 -6.539 6.714 4.784 1.00 1.12 C ATOM 462 CG GLU A 41 -5.156 7.230 4.435 1.00 42.03 C ATOM 463 CD GLU A 41 -5.164 8.119 3.230 1.00 63.22 C ATOM 464 OE1 GLU A 41 -5.531 7.659 2.125 1.00 33.51 O ATOM 465 OE2 GLU A 41 -4.812 9.299 3.362 1.00 2.31 O1- ATOM 0 H GLU A 41 -6.213 8.783 6.125 1.00 5.00 H new ATOM 0 HA GLU A 41 -7.803 8.232 3.921 1.00 33.21 H new ATOM 0 HB2 GLU A 41 -6.481 6.172 5.728 1.00 1.12 H new ATOM 0 HB3 GLU A 41 -6.846 5.996 4.023 1.00 1.12 H new ATOM 0 HG2 GLU A 41 -4.751 7.779 5.285 1.00 42.03 H new ATOM 0 HG3 GLU A 41 -4.491 6.385 4.255 1.00 42.03 H new ATOM 472 N GLU A 42 -8.959 6.965 6.721 1.00 60.31 N ATOM 473 CA GLU A 42 -10.051 6.360 7.473 1.00 50.43 C ATOM 474 C GLU A 42 -11.207 7.340 7.778 1.00 60.14 C ATOM 475 O GLU A 42 -12.190 6.952 8.416 1.00 22.44 O ATOM 476 CB GLU A 42 -9.501 5.774 8.799 1.00 60.23 C ATOM 477 CG GLU A 42 -8.621 4.525 8.664 1.00 61.20 C ATOM 478 CD GLU A 42 -7.395 4.765 7.832 1.00 15.34 C ATOM 479 OE1 GLU A 42 -7.087 3.939 6.972 1.00 62.41 O ATOM 480 OE2 GLU A 42 -6.784 5.846 7.994 1.00 43.41 O1- ATOM 0 H GLU A 42 -8.179 7.236 7.320 1.00 60.31 H new ATOM 0 HA GLU A 42 -10.468 5.574 6.844 1.00 50.43 H new ATOM 0 HB2 GLU A 42 -8.924 6.548 9.305 1.00 60.23 H new ATOM 0 HB3 GLU A 42 -10.345 5.532 9.445 1.00 60.23 H new ATOM 0 HG2 GLU A 42 -8.321 4.188 9.656 1.00 61.20 H new ATOM 0 HG3 GLU A 42 -9.206 3.721 8.218 1.00 61.20 H new ATOM 487 N SER A 43 -11.108 8.584 7.345 1.00 2.24 N ATOM 488 CA SER A 43 -12.186 9.525 7.585 1.00 54.45 C ATOM 489 C SER A 43 -13.357 9.233 6.659 1.00 30.30 C ATOM 490 O SER A 43 -13.186 9.098 5.431 1.00 12.12 O ATOM 491 CB SER A 43 -11.719 10.969 7.416 1.00 2.31 C ATOM 492 OG SER A 43 -10.705 11.300 8.354 1.00 31.43 O ATOM 0 H SER A 43 -10.309 8.961 6.835 1.00 2.24 H new ATOM 0 HA SER A 43 -12.512 9.402 8.618 1.00 54.45 H new ATOM 0 HB2 SER A 43 -11.342 11.115 6.404 1.00 2.31 H new ATOM 0 HB3 SER A 43 -12.566 11.644 7.541 1.00 2.31 H new ATOM 0 HG SER A 43 -10.686 12.271 8.487 1.00 31.43 H new ATOM 498 N ASN A 44 -14.534 9.110 7.241 1.00 23.32 N ATOM 499 CA ASN A 44 -15.724 8.819 6.482 1.00 62.41 C ATOM 500 C ASN A 44 -16.159 10.046 5.697 1.00 61.40 C ATOM 501 O ASN A 44 -16.564 11.053 6.266 1.00 23.50 O ATOM 502 CB ASN A 44 -16.861 8.334 7.380 1.00 60.24 C ATOM 503 CG ASN A 44 -18.074 7.877 6.581 1.00 71.20 C ATOM 504 OD1 ASN A 44 -18.936 8.669 6.226 1.00 1.44 O ATOM 505 ND2 ASN A 44 -18.157 6.598 6.309 1.00 70.21 N ATOM 0 H ASN A 44 -14.687 9.209 8.245 1.00 23.32 H new ATOM 0 HA ASN A 44 -15.486 8.014 5.786 1.00 62.41 H new ATOM 0 HB2 ASN A 44 -16.506 7.511 8.000 1.00 60.24 H new ATOM 0 HB3 ASN A 44 -17.155 9.137 8.056 1.00 60.24 H new ATOM 0 HD21 ASN A 44 -18.957 6.238 5.788 1.00 70.21 H new ATOM 0 HD22 ASN A 44 -17.422 5.962 6.619 1.00 70.21 H new ATOM 512 N LEU A 45 -16.087 9.937 4.398 1.00 15.22 N ATOM 513 CA LEU A 45 -16.385 11.036 3.495 1.00 32.24 C ATOM 514 C LEU A 45 -17.862 11.481 3.501 1.00 21.11 C ATOM 515 O LEU A 45 -18.162 12.635 3.192 1.00 34.35 O ATOM 516 CB LEU A 45 -15.886 10.732 2.082 1.00 0.41 C ATOM 517 CG LEU A 45 -14.358 10.833 1.848 1.00 32.13 C ATOM 518 CD1 LEU A 45 -14.029 10.433 0.437 1.00 42.33 C ATOM 519 CD2 LEU A 45 -13.880 12.266 2.113 1.00 1.12 C ATOM 0 H LEU A 45 -15.817 9.076 3.923 1.00 15.22 H new ATOM 0 HA LEU A 45 -15.836 11.895 3.880 1.00 32.24 H new ATOM 0 HB2 LEU A 45 -16.205 9.724 1.818 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -16.382 11.414 1.392 1.00 0.41 H new ATOM 0 HG LEU A 45 -13.848 10.158 2.536 1.00 32.13 H new ATOM 0 HD11 LEU A 45 -12.953 10.506 0.280 1.00 42.33 H new ATOM 0 HD12 LEU A 45 -14.352 9.406 0.265 1.00 42.33 H new ATOM 0 HD13 LEU A 45 -14.544 11.096 -0.259 1.00 42.33 H new ATOM 0 HD21 LEU A 45 -12.805 12.328 1.946 1.00 1.12 H new ATOM 0 HD22 LEU A 45 -14.392 12.951 1.437 1.00 1.12 H new ATOM 0 HD23 LEU A 45 -14.103 12.539 3.144 1.00 1.12 H new ATOM 531 N ILE A 46 -18.770 10.599 3.879 1.00 71.00 N ATOM 532 CA ILE A 46 -20.186 10.980 3.946 1.00 30.11 C ATOM 533 C ILE A 46 -20.410 11.850 5.182 1.00 40.22 C ATOM 534 O ILE A 46 -21.127 12.837 5.135 1.00 21.34 O ATOM 535 CB ILE A 46 -21.141 9.741 3.962 1.00 51.40 C ATOM 536 CG1 ILE A 46 -20.996 8.919 2.671 1.00 1.34 C ATOM 537 CG2 ILE A 46 -22.601 10.148 4.176 1.00 60.43 C ATOM 538 CD1 ILE A 46 -21.293 9.684 1.395 1.00 42.45 C ATOM 0 H ILE A 46 -18.569 9.634 4.140 1.00 71.00 H new ATOM 0 HA ILE A 46 -20.428 11.542 3.044 1.00 30.11 H new ATOM 0 HB ILE A 46 -20.845 9.119 4.807 1.00 51.40 H new ATOM 0 HG12 ILE A 46 -19.979 8.530 2.617 1.00 1.34 H new ATOM 0 HG13 ILE A 46 -21.664 8.059 2.727 1.00 1.34 H new ATOM 0 HG21 ILE A 46 -23.230 9.258 4.180 1.00 60.43 H new ATOM 0 HG22 ILE A 46 -22.698 10.666 5.130 1.00 60.43 H new ATOM 0 HG23 ILE A 46 -22.916 10.811 3.370 1.00 60.43 H new ATOM 0 HD11 ILE A 46 -21.165 9.024 0.537 1.00 42.45 H new ATOM 0 HD12 ILE A 46 -22.319 10.050 1.421 1.00 42.45 H new ATOM 0 HD13 ILE A 46 -20.609 10.528 1.309 1.00 42.45 H new ATOM 550 N GLN A 47 -19.724 11.498 6.255 1.00 11.11 N ATOM 551 CA GLN A 47 -19.785 12.246 7.508 1.00 12.21 C ATOM 552 C GLN A 47 -19.037 13.562 7.373 1.00 22.12 C ATOM 553 O GLN A 47 -19.305 14.513 8.092 1.00 23.21 O ATOM 554 CB GLN A 47 -19.212 11.419 8.654 1.00 30.22 C ATOM 555 CG GLN A 47 -20.029 10.181 8.984 1.00 1.30 C ATOM 556 CD GLN A 47 -19.376 9.306 10.033 1.00 31.24 C ATOM 557 OE1 GLN A 47 -18.649 9.772 10.889 1.00 55.22 O ATOM 558 NE2 GLN A 47 -19.638 8.025 9.971 1.00 40.12 N ATOM 0 H GLN A 47 -19.107 10.686 6.287 1.00 11.11 H new ATOM 0 HA GLN A 47 -20.830 12.462 7.732 1.00 12.21 H new ATOM 0 HB2 GLN A 47 -18.197 11.116 8.399 1.00 30.22 H new ATOM 0 HB3 GLN A 47 -19.143 12.046 9.543 1.00 30.22 H new ATOM 0 HG2 GLN A 47 -21.015 10.486 9.335 1.00 1.30 H new ATOM 0 HG3 GLN A 47 -20.180 9.599 8.075 1.00 1.30 H new ATOM 0 HE21 GLN A 47 -20.252 7.665 9.241 1.00 40.12 H new ATOM 0 HE22 GLN A 47 -19.228 7.387 10.653 1.00 40.12 H new ATOM 567 N ALA A 48 -18.080 13.591 6.451 1.00 34.44 N ATOM 568 CA ALA A 48 -17.358 14.807 6.138 1.00 34.30 C ATOM 569 C ALA A 48 -18.294 15.774 5.422 1.00 4.51 C ATOM 570 O ALA A 48 -18.186 16.984 5.569 1.00 31.53 O ATOM 571 CB ALA A 48 -16.131 14.502 5.285 1.00 24.44 C ATOM 0 H ALA A 48 -17.789 12.778 5.908 1.00 34.44 H new ATOM 0 HA ALA A 48 -17.008 15.267 7.062 1.00 34.30 H new ATOM 0 HB1 ALA A 48 -15.604 15.429 5.062 1.00 24.44 H new ATOM 0 HB2 ALA A 48 -15.468 13.829 5.829 1.00 24.44 H new ATOM 0 HB3 ALA A 48 -16.444 14.029 4.354 1.00 24.44 H new ATOM 577 N GLY A 49 -19.212 15.220 4.641 1.00 23.01 N ATOM 578 CA GLY A 49 -20.218 16.035 4.013 1.00 14.40 C ATOM 579 C GLY A 49 -20.266 15.949 2.497 1.00 23.12 C ATOM 580 O GLY A 49 -20.569 16.940 1.829 1.00 50.03 O ATOM 0 H GLY A 49 -19.273 14.223 4.435 1.00 23.01 H new ATOM 0 HA2 GLY A 49 -21.193 15.750 4.408 1.00 14.40 H new ATOM 0 HA3 GLY A 49 -20.051 17.074 4.297 1.00 14.40 H new ATOM 584 N LEU A 50 -19.960 14.798 1.933 1.00 32.23 N ATOM 585 CA LEU A 50 -20.101 14.637 0.496 1.00 12.44 C ATOM 586 C LEU A 50 -21.532 14.329 0.160 1.00 21.43 C ATOM 587 O LEU A 50 -22.025 13.241 0.463 1.00 34.31 O ATOM 588 CB LEU A 50 -19.208 13.533 -0.065 1.00 32.44 C ATOM 589 CG LEU A 50 -17.698 13.692 0.126 1.00 41.43 C ATOM 590 CD1 LEU A 50 -17.014 12.634 -0.669 1.00 20.42 C ATOM 591 CD2 LEU A 50 -17.199 15.060 -0.323 1.00 34.45 C ATOM 0 H LEU A 50 -19.619 13.976 2.432 1.00 32.23 H new ATOM 0 HA LEU A 50 -19.790 15.576 0.039 1.00 12.44 H new ATOM 0 HB2 LEU A 50 -19.509 12.590 0.391 1.00 32.44 H new ATOM 0 HB3 LEU A 50 -19.407 13.448 -1.133 1.00 32.44 H new ATOM 0 HG LEU A 50 -17.475 13.599 1.189 1.00 41.43 H new ATOM 0 HD11 LEU A 50 -15.935 12.728 -0.548 1.00 20.42 H new ATOM 0 HD12 LEU A 50 -17.334 11.652 -0.320 1.00 20.42 H new ATOM 0 HD13 LEU A 50 -17.272 12.746 -1.722 1.00 20.42 H new ATOM 0 HD21 LEU A 50 -16.122 15.124 -0.167 1.00 34.45 H new ATOM 0 HD22 LEU A 50 -17.422 15.199 -1.381 1.00 34.45 H new ATOM 0 HD23 LEU A 50 -17.696 15.837 0.258 1.00 34.45 H new ATOM 603 N ASP A 51 -22.217 15.304 -0.409 1.00 64.13 N ATOM 604 CA ASP A 51 -23.580 15.106 -0.877 1.00 44.22 C ATOM 605 C ASP A 51 -23.558 14.137 -2.046 1.00 73.02 C ATOM 606 O ASP A 51 -22.505 13.911 -2.661 1.00 5.50 O ATOM 607 CB ASP A 51 -24.251 16.430 -1.298 1.00 34.14 C ATOM 608 CG ASP A 51 -23.569 17.096 -2.472 1.00 53.33 C ATOM 609 OD1 ASP A 51 -23.856 16.723 -3.629 1.00 52.01 O ATOM 610 OD2 ASP A 51 -22.713 17.988 -2.241 1.00 53.10 O1- ATOM 0 H ASP A 51 -21.852 16.244 -0.559 1.00 64.13 H new ATOM 0 HA ASP A 51 -24.169 14.700 -0.055 1.00 44.22 H new ATOM 0 HB2 ASP A 51 -25.293 16.237 -1.553 1.00 34.14 H new ATOM 0 HB3 ASP A 51 -24.252 17.115 -0.450 1.00 34.14 H new ATOM 615 N SER A 52 -24.689 13.595 -2.381 1.00 24.21 N ATOM 616 CA SER A 52 -24.749 12.579 -3.377 1.00 15.42 C ATOM 617 C SER A 52 -24.522 13.075 -4.806 1.00 13.21 C ATOM 618 O SER A 52 -24.150 12.278 -5.678 1.00 63.34 O ATOM 619 CB SER A 52 -26.011 11.781 -3.224 1.00 73.30 C ATOM 620 OG SER A 52 -27.128 12.645 -3.030 1.00 74.23 O ATOM 0 H SER A 52 -25.589 13.845 -1.972 1.00 24.21 H new ATOM 0 HA SER A 52 -23.900 11.918 -3.203 1.00 15.42 H new ATOM 0 HB2 SER A 52 -26.169 11.166 -4.110 1.00 73.30 H new ATOM 0 HB3 SER A 52 -25.918 11.101 -2.377 1.00 73.30 H new ATOM 0 HG SER A 52 -27.943 12.109 -2.934 1.00 74.23 H new ATOM 626 N ILE A 53 -24.686 14.375 -5.066 1.00 40.52 N ATOM 627 CA ILE A 53 -24.379 14.849 -6.393 1.00 44.53 C ATOM 628 C ILE A 53 -22.897 14.928 -6.492 1.00 50.14 C ATOM 629 O ILE A 53 -22.313 14.489 -7.455 1.00 61.14 O ATOM 630 CB ILE A 53 -24.945 16.236 -6.771 1.00 52.14 C ATOM 631 CG1 ILE A 53 -26.483 16.272 -6.620 1.00 11.15 C ATOM 632 CG2 ILE A 53 -24.519 16.576 -8.233 1.00 63.53 C ATOM 633 CD1 ILE A 53 -27.233 15.272 -7.487 1.00 32.15 C ATOM 0 H ILE A 53 -25.014 15.078 -4.404 1.00 40.52 H new ATOM 0 HA ILE A 53 -24.850 14.146 -7.081 1.00 44.53 H new ATOM 0 HB ILE A 53 -24.539 16.986 -6.092 1.00 52.14 H new ATOM 0 HG12 ILE A 53 -26.736 16.088 -5.576 1.00 11.15 H new ATOM 0 HG13 ILE A 53 -26.834 17.275 -6.861 1.00 11.15 H new ATOM 0 HG21 ILE A 53 -24.914 17.554 -8.509 1.00 63.53 H new ATOM 0 HG22 ILE A 53 -23.431 16.592 -8.301 1.00 63.53 H new ATOM 0 HG23 ILE A 53 -24.914 15.820 -8.912 1.00 63.53 H new ATOM 0 HD11 ILE A 53 -28.304 15.371 -7.313 1.00 32.15 H new ATOM 0 HD12 ILE A 53 -27.016 15.467 -8.537 1.00 32.15 H new ATOM 0 HD13 ILE A 53 -26.916 14.260 -7.233 1.00 32.15 H new ATOM 645 N ARG A 54 -22.293 15.457 -5.452 1.00 63.11 N ATOM 646 CA ARG A 54 -20.868 15.594 -5.355 1.00 11.25 C ATOM 647 C ARG A 54 -20.234 14.218 -5.456 1.00 43.15 C ATOM 648 O ARG A 54 -19.226 14.030 -6.132 1.00 61.41 O ATOM 649 CB ARG A 54 -20.551 16.224 -4.026 1.00 73.30 C ATOM 650 CG ARG A 54 -19.158 16.753 -3.876 1.00 31.13 C ATOM 651 CD ARG A 54 -19.018 17.457 -2.545 1.00 5.04 C ATOM 652 NE ARG A 54 -20.115 18.403 -2.313 1.00 52.11 N ATOM 653 CZ ARG A 54 -20.013 19.661 -1.904 1.00 54.01 C ATOM 654 NH1 ARG A 54 -18.862 20.340 -2.012 1.00 23.10 N1+ ATOM 655 NH2 ARG A 54 -21.119 20.276 -1.513 1.00 34.53 N ATOM 0 H ARG A 54 -22.794 15.809 -4.636 1.00 63.11 H new ATOM 0 HA ARG A 54 -20.477 16.219 -6.158 1.00 11.25 H new ATOM 0 HB2 ARG A 54 -21.251 17.042 -3.856 1.00 73.30 H new ATOM 0 HB3 ARG A 54 -20.726 15.486 -3.243 1.00 73.30 H new ATOM 0 HG2 ARG A 54 -18.440 15.936 -3.943 1.00 31.13 H new ATOM 0 HG3 ARG A 54 -18.932 17.443 -4.689 1.00 31.13 H new ATOM 0 HD2 ARG A 54 -18.999 16.719 -1.743 1.00 5.04 H new ATOM 0 HD3 ARG A 54 -18.067 17.988 -2.513 1.00 5.04 H new ATOM 0 HE ARG A 54 -21.059 18.056 -2.485 1.00 52.11 H new ATOM 0 HH11 ARG A 54 -18.040 19.890 -2.416 1.00 23.10 H new ATOM 0 HH12 ARG A 54 -18.808 21.306 -1.691 1.00 23.10 H new ATOM 0 HH21 ARG A 54 -22.011 19.782 -1.533 1.00 34.53 H new ATOM 0 HH22 ARG A 54 -21.078 21.243 -1.192 1.00 34.53 H new ATOM 669 N LEU A 55 -20.886 13.262 -4.832 1.00 4.24 N ATOM 670 CA LEU A 55 -20.468 11.888 -4.835 1.00 11.33 C ATOM 671 C LEU A 55 -20.540 11.319 -6.268 1.00 40.23 C ATOM 672 O LEU A 55 -19.597 10.689 -6.745 1.00 3.10 O ATOM 673 CB LEU A 55 -21.361 11.076 -3.884 1.00 53.51 C ATOM 674 CG LEU A 55 -20.799 9.740 -3.394 1.00 24.44 C ATOM 675 CD1 LEU A 55 -19.463 9.941 -2.703 1.00 64.03 C ATOM 676 CD2 LEU A 55 -21.761 9.106 -2.430 1.00 70.13 C ATOM 0 H LEU A 55 -21.739 13.428 -4.298 1.00 4.24 H new ATOM 0 HA LEU A 55 -19.436 11.821 -4.490 1.00 11.33 H new ATOM 0 HB2 LEU A 55 -21.582 11.693 -3.013 1.00 53.51 H new ATOM 0 HB3 LEU A 55 -22.309 10.884 -4.387 1.00 53.51 H new ATOM 0 HG LEU A 55 -20.657 9.091 -4.258 1.00 24.44 H new ATOM 0 HD11 LEU A 55 -19.081 8.979 -2.362 1.00 64.03 H new ATOM 0 HD12 LEU A 55 -18.755 10.385 -3.402 1.00 64.03 H new ATOM 0 HD13 LEU A 55 -19.592 10.604 -1.847 1.00 64.03 H new ATOM 0 HD21 LEU A 55 -21.356 8.155 -2.084 1.00 70.13 H new ATOM 0 HD22 LEU A 55 -21.911 9.768 -1.577 1.00 70.13 H new ATOM 0 HD23 LEU A 55 -22.715 8.934 -2.928 1.00 70.13 H new ATOM 688 N MET A 56 -21.642 11.584 -6.974 1.00 43.14 N ATOM 689 CA MET A 56 -21.783 11.091 -8.348 1.00 33.42 C ATOM 690 C MET A 56 -20.935 11.911 -9.318 1.00 51.40 C ATOM 691 O MET A 56 -20.663 11.465 -10.445 1.00 20.55 O ATOM 692 CB MET A 56 -23.248 11.014 -8.828 1.00 4.42 C ATOM 693 CG MET A 56 -23.907 12.350 -9.092 1.00 61.40 C ATOM 694 SD MET A 56 -25.639 12.210 -9.589 1.00 34.34 S ATOM 695 CE MET A 56 -26.363 11.431 -8.144 1.00 54.21 C ATOM 0 H MET A 56 -22.434 12.125 -6.628 1.00 43.14 H new ATOM 0 HA MET A 56 -21.412 10.066 -8.337 1.00 33.42 H new ATOM 0 HB2 MET A 56 -23.284 10.421 -9.742 1.00 4.42 H new ATOM 0 HB3 MET A 56 -23.832 10.480 -8.079 1.00 4.42 H new ATOM 0 HG2 MET A 56 -23.843 12.962 -8.193 1.00 61.40 H new ATOM 0 HG3 MET A 56 -23.354 12.872 -9.873 1.00 61.40 H new ATOM 0 HE1 MET A 56 -27.450 11.475 -8.213 1.00 54.21 H new ATOM 0 HE2 MET A 56 -26.044 10.390 -8.094 1.00 54.21 H new ATOM 0 HE3 MET A 56 -26.035 11.955 -7.246 1.00 54.21 H new ATOM 705 N ARG A 57 -20.526 13.127 -8.899 1.00 4.54 N ATOM 706 CA ARG A 57 -19.614 13.909 -9.703 1.00 31.23 C ATOM 707 C ARG A 57 -18.308 13.130 -9.799 1.00 71.44 C ATOM 708 O ARG A 57 -17.717 12.987 -10.870 1.00 73.01 O ATOM 709 CB ARG A 57 -19.306 15.317 -9.128 1.00 42.54 C ATOM 710 CG ARG A 57 -20.495 16.255 -9.056 1.00 64.22 C ATOM 711 CD ARG A 57 -20.076 17.707 -8.820 1.00 4.00 C ATOM 712 NE ARG A 57 -19.185 17.901 -7.654 1.00 4.41 N ATOM 713 CZ ARG A 57 -19.048 19.064 -6.979 1.00 11.52 C ATOM 714 NH1 ARG A 57 -19.879 20.087 -7.217 1.00 73.23 N1+ ATOM 715 NH2 ARG A 57 -18.108 19.194 -6.065 1.00 10.22 N ATOM 0 H ARG A 57 -20.815 13.566 -8.025 1.00 4.54 H new ATOM 0 HA ARG A 57 -20.090 14.071 -10.670 1.00 31.23 H new ATOM 0 HB2 ARG A 57 -18.893 15.201 -8.126 1.00 42.54 H new ATOM 0 HB3 ARG A 57 -18.533 15.781 -9.740 1.00 42.54 H new ATOM 0 HG2 ARG A 57 -21.063 16.189 -9.984 1.00 64.22 H new ATOM 0 HG3 ARG A 57 -21.159 15.936 -8.253 1.00 64.22 H new ATOM 0 HD2 ARG A 57 -19.573 18.078 -9.713 1.00 4.00 H new ATOM 0 HD3 ARG A 57 -20.971 18.314 -8.684 1.00 4.00 H new ATOM 0 HE ARG A 57 -18.636 17.101 -7.338 1.00 4.41 H new ATOM 0 HH11 ARG A 57 -20.620 19.991 -7.911 1.00 73.23 H new ATOM 0 HH12 ARG A 57 -19.770 20.962 -6.704 1.00 73.23 H new ATOM 0 HH21 ARG A 57 -17.480 18.415 -5.865 1.00 10.22 H new ATOM 0 HH22 ARG A 57 -18.008 20.073 -5.558 1.00 10.22 H new ATOM 729 N TRP A 58 -17.909 12.571 -8.648 1.00 23.54 N ATOM 730 CA TRP A 58 -16.710 11.760 -8.527 1.00 60.24 C ATOM 731 C TRP A 58 -16.775 10.502 -9.366 1.00 60.32 C ATOM 732 O TRP A 58 -15.772 10.087 -9.921 1.00 72.11 O ATOM 733 CB TRP A 58 -16.397 11.411 -7.073 1.00 3.43 C ATOM 734 CG TRP A 58 -15.818 12.546 -6.293 1.00 12.35 C ATOM 735 CD1 TRP A 58 -16.325 13.139 -5.171 1.00 3.44 C ATOM 736 CD2 TRP A 58 -14.604 13.226 -6.597 1.00 54.41 C ATOM 737 NE1 TRP A 58 -15.479 14.131 -4.749 1.00 35.55 N ATOM 738 CE2 TRP A 58 -14.413 14.204 -5.619 1.00 43.54 C ATOM 739 CE3 TRP A 58 -13.654 13.092 -7.608 1.00 55.31 C ATOM 740 CZ2 TRP A 58 -13.300 15.043 -5.627 1.00 15.31 C ATOM 741 CZ3 TRP A 58 -12.564 13.925 -7.611 1.00 10.12 C ATOM 742 CH2 TRP A 58 -12.396 14.883 -6.627 1.00 40.11 C ATOM 0 H TRP A 58 -18.421 12.676 -7.772 1.00 23.54 H new ATOM 0 HA TRP A 58 -15.896 12.375 -8.912 1.00 60.24 H new ATOM 0 HB2 TRP A 58 -17.312 11.076 -6.584 1.00 3.43 H new ATOM 0 HB3 TRP A 58 -15.699 10.574 -7.052 1.00 3.43 H new ATOM 0 HD1 TRP A 58 -17.253 12.867 -4.689 1.00 3.44 H new ATOM 0 HE1 TRP A 58 -15.616 14.718 -3.926 1.00 35.55 H new ATOM 0 HE3 TRP A 58 -13.774 12.344 -8.377 1.00 55.31 H new ATOM 0 HZ2 TRP A 58 -13.162 15.795 -4.864 1.00 15.31 H new ATOM 0 HZ3 TRP A 58 -11.826 13.832 -8.394 1.00 10.12 H new ATOM 0 HH2 TRP A 58 -11.524 15.519 -6.655 1.00 40.11 H new ATOM 753 N LEU A 59 -17.959 9.911 -9.470 1.00 10.04 N ATOM 754 CA LEU A 59 -18.164 8.711 -10.296 1.00 63.51 C ATOM 755 C LEU A 59 -17.705 8.964 -11.733 1.00 22.10 C ATOM 756 O LEU A 59 -17.058 8.122 -12.356 1.00 55.12 O ATOM 757 CB LEU A 59 -19.645 8.305 -10.296 1.00 22.35 C ATOM 758 CG LEU A 59 -20.026 7.136 -11.212 1.00 72.23 C ATOM 759 CD1 LEU A 59 -19.341 5.842 -10.790 1.00 61.13 C ATOM 760 CD2 LEU A 59 -21.534 6.966 -11.273 1.00 63.42 C ATOM 0 H LEU A 59 -18.799 10.239 -8.994 1.00 10.04 H new ATOM 0 HA LEU A 59 -17.571 7.902 -9.869 1.00 63.51 H new ATOM 0 HB2 LEU A 59 -19.930 8.048 -9.276 1.00 22.35 H new ATOM 0 HB3 LEU A 59 -20.238 9.173 -10.583 1.00 22.35 H new ATOM 0 HG LEU A 59 -19.672 7.375 -12.215 1.00 72.23 H new ATOM 0 HD11 LEU A 59 -19.636 5.038 -11.463 1.00 61.13 H new ATOM 0 HD12 LEU A 59 -18.260 5.972 -10.833 1.00 61.13 H new ATOM 0 HD13 LEU A 59 -19.636 5.589 -9.772 1.00 61.13 H new ATOM 0 HD21 LEU A 59 -21.780 6.131 -11.929 1.00 63.42 H new ATOM 0 HD22 LEU A 59 -21.919 6.767 -10.273 1.00 63.42 H new ATOM 0 HD23 LEU A 59 -21.988 7.878 -11.661 1.00 63.42 H new ATOM 772 N HIS A 60 -18.011 10.139 -12.225 1.00 11.43 N ATOM 773 CA HIS A 60 -17.648 10.525 -13.571 1.00 40.53 C ATOM 774 C HIS A 60 -16.165 10.815 -13.667 1.00 31.13 C ATOM 775 O HIS A 60 -15.532 10.545 -14.690 1.00 15.33 O ATOM 776 CB HIS A 60 -18.502 11.705 -14.042 1.00 64.30 C ATOM 777 CG HIS A 60 -19.933 11.317 -14.272 1.00 71.30 C ATOM 778 ND1 HIS A 60 -20.914 11.310 -13.297 1.00 61.35 N ATOM 779 CD2 HIS A 60 -20.523 10.861 -15.394 1.00 61.22 C ATOM 780 CE1 HIS A 60 -22.039 10.850 -13.851 1.00 1.42 C ATOM 781 NE2 HIS A 60 -21.851 10.558 -15.132 1.00 41.14 N ATOM 0 H HIS A 60 -18.518 10.856 -11.706 1.00 11.43 H new ATOM 0 HA HIS A 60 -17.853 9.691 -14.242 1.00 40.53 H new ATOM 0 HB2 HIS A 60 -18.459 12.501 -13.299 1.00 64.30 H new ATOM 0 HB3 HIS A 60 -18.084 12.107 -14.965 1.00 64.30 H new ATOM 0 HD1 HIS A 60 -20.799 11.604 -12.327 1.00 61.35 H new ATOM 0 HD2 HIS A 60 -20.036 10.749 -16.351 1.00 61.22 H new ATOM 0 HE1 HIS A 60 -22.976 10.732 -13.327 1.00 1.42 H new ATOM 789 N TRP A 61 -15.609 11.315 -12.582 1.00 11.04 N ATOM 790 CA TRP A 61 -14.194 11.573 -12.490 1.00 13.22 C ATOM 791 C TRP A 61 -13.423 10.242 -12.532 1.00 31.02 C ATOM 792 O TRP A 61 -12.416 10.117 -13.229 1.00 41.11 O ATOM 793 CB TRP A 61 -13.870 12.353 -11.196 1.00 3.32 C ATOM 794 CG TRP A 61 -12.407 12.656 -11.010 1.00 65.13 C ATOM 795 CD1 TRP A 61 -11.764 13.818 -11.300 1.00 70.23 C ATOM 796 CD2 TRP A 61 -11.410 11.769 -10.497 1.00 63.34 C ATOM 797 NE1 TRP A 61 -10.429 13.696 -11.022 1.00 13.10 N ATOM 798 CE2 TRP A 61 -10.195 12.451 -10.522 1.00 12.52 C ATOM 799 CE3 TRP A 61 -11.437 10.457 -10.024 1.00 34.14 C ATOM 800 CZ2 TRP A 61 -9.030 11.871 -10.101 1.00 51.33 C ATOM 801 CZ3 TRP A 61 -10.277 9.884 -9.610 1.00 61.23 C ATOM 802 CH2 TRP A 61 -9.090 10.587 -9.649 1.00 54.51 C ATOM 0 H TRP A 61 -16.131 11.553 -11.739 1.00 11.04 H new ATOM 0 HA TRP A 61 -13.886 12.185 -13.338 1.00 13.22 H new ATOM 0 HB2 TRP A 61 -14.426 13.290 -11.201 1.00 3.32 H new ATOM 0 HB3 TRP A 61 -14.222 11.778 -10.340 1.00 3.32 H new ATOM 0 HD1 TRP A 61 -12.237 14.707 -11.692 1.00 70.23 H new ATOM 0 HE1 TRP A 61 -9.725 14.420 -11.166 1.00 13.10 H new ATOM 0 HE3 TRP A 61 -12.365 9.906 -9.988 1.00 34.14 H new ATOM 0 HZ2 TRP A 61 -8.095 12.412 -10.126 1.00 51.33 H new ATOM 0 HZ3 TRP A 61 -10.284 8.867 -9.246 1.00 61.23 H new ATOM 0 HH2 TRP A 61 -8.184 10.106 -9.312 1.00 54.51 H new ATOM 813 N PHE A 62 -13.876 9.266 -11.766 1.00 63.34 N ATOM 814 CA PHE A 62 -13.245 7.948 -11.759 1.00 43.13 C ATOM 815 C PHE A 62 -13.328 7.323 -13.127 1.00 22.24 C ATOM 816 O PHE A 62 -12.341 6.856 -13.696 1.00 13.10 O ATOM 817 CB PHE A 62 -13.928 7.000 -10.764 1.00 70.31 C ATOM 818 CG PHE A 62 -13.602 7.204 -9.315 1.00 42.31 C ATOM 819 CD1 PHE A 62 -12.402 6.756 -8.803 1.00 44.31 C ATOM 820 CD2 PHE A 62 -14.513 7.784 -8.457 1.00 51.34 C ATOM 821 CE1 PHE A 62 -12.113 6.886 -7.462 1.00 73.14 C ATOM 822 CE2 PHE A 62 -14.229 7.925 -7.119 1.00 40.41 C ATOM 823 CZ PHE A 62 -13.028 7.470 -6.621 1.00 24.34 C ATOM 0 H PHE A 62 -14.676 9.355 -11.140 1.00 63.34 H new ATOM 0 HA PHE A 62 -12.206 8.094 -11.464 1.00 43.13 H new ATOM 0 HB2 PHE A 62 -15.007 7.095 -10.888 1.00 70.31 H new ATOM 0 HB3 PHE A 62 -13.665 5.977 -11.032 1.00 70.31 H new ATOM 0 HD1 PHE A 62 -11.680 6.297 -9.462 1.00 44.31 H new ATOM 0 HD2 PHE A 62 -15.461 8.132 -8.841 1.00 51.34 H new ATOM 0 HE1 PHE A 62 -11.170 6.530 -7.074 1.00 73.14 H new ATOM 0 HE2 PHE A 62 -14.946 8.392 -6.460 1.00 40.41 H new ATOM 0 HZ PHE A 62 -12.806 7.573 -5.569 1.00 24.34 H new ATOM 833 N ARG A 63 -14.492 7.372 -13.664 1.00 13.35 N ATOM 834 CA ARG A 63 -14.815 6.708 -14.882 1.00 61.23 C ATOM 835 C ARG A 63 -14.071 7.284 -16.123 1.00 14.11 C ATOM 836 O ARG A 63 -14.129 6.673 -17.179 1.00 70.43 O ATOM 837 CB ARG A 63 -16.322 6.654 -15.059 1.00 50.41 C ATOM 838 CG ARG A 63 -16.819 5.489 -15.889 1.00 10.32 C ATOM 839 CD ARG A 63 -18.304 5.642 -16.188 1.00 40.34 C ATOM 840 NE ARG A 63 -18.573 6.837 -17.027 1.00 51.20 N ATOM 841 CZ ARG A 63 -19.606 7.697 -16.875 1.00 71.22 C ATOM 842 NH1 ARG A 63 -20.470 7.549 -15.864 1.00 41.14 N1+ ATOM 843 NH2 ARG A 63 -19.759 8.713 -17.731 1.00 64.11 N ATOM 0 H ARG A 63 -15.272 7.889 -13.259 1.00 13.35 H new ATOM 0 HA ARG A 63 -14.447 5.685 -14.807 1.00 61.23 H new ATOM 0 HB2 ARG A 63 -16.789 6.607 -14.075 1.00 50.41 H new ATOM 0 HB3 ARG A 63 -16.653 7.582 -15.525 1.00 50.41 H new ATOM 0 HG2 ARG A 63 -16.258 5.434 -16.822 1.00 10.32 H new ATOM 0 HG3 ARG A 63 -16.644 4.554 -15.356 1.00 10.32 H new ATOM 0 HD2 ARG A 63 -18.667 4.750 -16.698 1.00 40.34 H new ATOM 0 HD3 ARG A 63 -18.858 5.722 -15.252 1.00 40.34 H new ATOM 0 HE ARG A 63 -17.920 7.027 -17.787 1.00 51.20 H new ATOM 0 HH11 ARG A 63 -20.352 6.783 -15.201 1.00 41.14 H new ATOM 0 HH12 ARG A 63 -21.246 8.202 -15.757 1.00 41.14 H new ATOM 0 HH21 ARG A 63 -19.097 8.838 -18.497 1.00 64.11 H new ATOM 0 HH22 ARG A 63 -20.537 9.362 -17.618 1.00 64.11 H new ATOM 857 N LYS A 64 -13.409 8.483 -15.994 1.00 20.34 N ATOM 858 CA LYS A 64 -12.609 9.084 -17.125 1.00 10.22 C ATOM 859 C LYS A 64 -11.663 8.038 -17.703 1.00 24.50 C ATOM 860 O LYS A 64 -11.639 7.787 -18.891 1.00 23.53 O ATOM 861 CB LYS A 64 -11.657 10.215 -16.663 1.00 61.52 C ATOM 862 CG LYS A 64 -12.230 11.375 -15.879 1.00 25.05 C ATOM 863 CD LYS A 64 -11.135 12.442 -15.606 1.00 21.00 C ATOM 864 CE LYS A 64 -9.815 11.858 -15.008 1.00 0.32 C ATOM 865 NZ LYS A 64 -9.970 11.262 -13.654 1.00 11.11 N1+ ATOM 0 H LYS A 64 -13.411 9.042 -15.141 1.00 20.34 H new ATOM 0 HA LYS A 64 -13.353 9.457 -17.829 1.00 10.22 H new ATOM 0 HB2 LYS A 64 -10.875 9.760 -16.055 1.00 61.52 H new ATOM 0 HB3 LYS A 64 -11.174 10.623 -17.551 1.00 61.52 H new ATOM 0 HG2 LYS A 64 -13.054 11.825 -16.434 1.00 25.05 H new ATOM 0 HG3 LYS A 64 -12.640 11.016 -14.935 1.00 25.05 H new ATOM 0 HD2 LYS A 64 -10.903 12.957 -16.538 1.00 21.00 H new ATOM 0 HD3 LYS A 64 -11.533 13.189 -14.920 1.00 21.00 H new ATOM 0 HE2 LYS A 64 -9.428 11.097 -15.686 1.00 0.32 H new ATOM 0 HE3 LYS A 64 -9.069 12.651 -14.960 1.00 0.32 H new ATOM 0 HZ1 LYS A 64 -9.365 10.420 -13.574 1.00 11.11 H new ATOM 0 HZ2 LYS A 64 -9.691 11.959 -12.934 1.00 11.11 H new ATOM 0 HZ3 LYS A 64 -10.963 10.990 -13.506 1.00 11.11 H new ATOM 879 N ASN A 65 -10.915 7.408 -16.808 1.00 71.35 N ATOM 880 CA ASN A 65 -9.896 6.430 -17.188 1.00 32.33 C ATOM 881 C ASN A 65 -10.446 5.052 -16.924 1.00 41.13 C ATOM 882 O ASN A 65 -9.700 4.062 -16.783 1.00 50.32 O ATOM 883 CB ASN A 65 -8.601 6.638 -16.367 1.00 11.32 C ATOM 884 CG ASN A 65 -8.004 8.040 -16.487 1.00 23.11 C ATOM 885 OD1 ASN A 65 -8.170 8.724 -17.486 1.00 24.15 O ATOM 886 ND2 ASN A 65 -7.297 8.464 -15.469 1.00 4.13 N ATOM 0 H ASN A 65 -10.994 7.557 -15.802 1.00 71.35 H new ATOM 0 HA ASN A 65 -9.650 6.552 -18.243 1.00 32.33 H new ATOM 0 HB2 ASN A 65 -8.812 6.433 -15.317 1.00 11.32 H new ATOM 0 HB3 ASN A 65 -7.858 5.909 -16.690 1.00 11.32 H new ATOM 0 HD21 ASN A 65 -6.867 9.389 -15.496 1.00 4.13 H new ATOM 0 HD22 ASN A 65 -7.177 7.870 -14.649 1.00 4.13 H new ATOM 893 N GLY A 66 -11.765 4.999 -16.873 1.00 52.24 N ATOM 894 CA GLY A 66 -12.481 3.798 -16.592 1.00 51.54 C ATOM 895 C GLY A 66 -12.131 3.236 -15.247 1.00 51.41 C ATOM 896 O GLY A 66 -11.823 2.050 -15.139 1.00 24.32 O ATOM 0 H GLY A 66 -12.365 5.809 -17.030 1.00 52.24 H new ATOM 0 HA2 GLY A 66 -13.552 3.996 -16.634 1.00 51.54 H new ATOM 0 HA3 GLY A 66 -12.263 3.058 -17.362 1.00 51.54 H new ATOM 900 N TYR A 67 -12.112 4.076 -14.209 1.00 52.51 N ATOM 901 CA TYR A 67 -11.804 3.565 -12.906 1.00 31.40 C ATOM 902 C TYR A 67 -12.769 2.557 -12.414 1.00 72.33 C ATOM 903 O TYR A 67 -13.956 2.581 -12.736 1.00 72.10 O ATOM 904 CB TYR A 67 -11.322 4.571 -11.873 1.00 23.20 C ATOM 905 CG TYR A 67 -9.902 4.966 -12.149 1.00 4.22 C ATOM 906 CD1 TYR A 67 -9.537 6.276 -12.390 1.00 11.13 C ATOM 907 CD2 TYR A 67 -8.919 3.991 -12.215 1.00 51.11 C ATOM 908 CE1 TYR A 67 -8.231 6.596 -12.689 1.00 41.31 C ATOM 909 CE2 TYR A 67 -7.625 4.308 -12.502 1.00 30.05 C ATOM 910 CZ TYR A 67 -7.283 5.606 -12.740 1.00 55.22 C ATOM 911 OH TYR A 67 -5.993 5.910 -13.061 1.00 65.14 O ATOM 0 H TYR A 67 -12.302 5.077 -14.257 1.00 52.51 H new ATOM 0 HA TYR A 67 -10.886 3.003 -13.077 1.00 31.40 H new ATOM 0 HB2 TYR A 67 -11.961 5.454 -11.890 1.00 23.20 H new ATOM 0 HB3 TYR A 67 -11.399 4.141 -10.874 1.00 23.20 H new ATOM 0 HD1 TYR A 67 -10.282 7.056 -12.344 1.00 11.13 H new ATOM 0 HD2 TYR A 67 -9.184 2.959 -12.035 1.00 51.11 H new ATOM 0 HE1 TYR A 67 -7.955 7.622 -12.882 1.00 41.31 H new ATOM 0 HE2 TYR A 67 -6.873 3.534 -12.541 1.00 30.05 H new ATOM 0 HH TYR A 67 -5.495 6.127 -12.245 1.00 65.14 H new ATOM 921 N ARG A 68 -12.259 1.709 -11.601 1.00 65.01 N ATOM 922 CA ARG A 68 -12.889 0.430 -11.363 1.00 12.32 C ATOM 923 C ARG A 68 -13.903 0.473 -10.247 1.00 72.41 C ATOM 924 O ARG A 68 -13.698 -0.146 -9.186 1.00 42.32 O ATOM 925 CB ARG A 68 -11.826 -0.688 -11.115 1.00 52.43 C ATOM 926 CG ARG A 68 -10.883 -1.052 -12.293 1.00 75.13 C ATOM 927 CD ARG A 68 -10.058 0.133 -12.744 1.00 32.50 C ATOM 928 NE ARG A 68 -8.922 -0.215 -13.609 1.00 61.02 N ATOM 929 CZ ARG A 68 -8.448 0.535 -14.627 1.00 45.15 C ATOM 930 NH1 ARG A 68 -9.206 1.478 -15.188 1.00 55.12 N1+ ATOM 931 NH2 ARG A 68 -7.245 0.278 -15.129 1.00 61.32 N ATOM 0 H ARG A 68 -11.398 1.864 -11.076 1.00 65.01 H new ATOM 0 HA ARG A 68 -13.439 0.185 -12.272 1.00 12.32 H new ATOM 0 HB2 ARG A 68 -11.208 -0.383 -10.271 1.00 52.43 H new ATOM 0 HB3 ARG A 68 -12.353 -1.593 -10.814 1.00 52.43 H new ATOM 0 HG2 ARG A 68 -10.219 -1.862 -11.989 1.00 75.13 H new ATOM 0 HG3 ARG A 68 -11.475 -1.422 -13.130 1.00 75.13 H new ATOM 0 HD2 ARG A 68 -10.705 0.830 -13.277 1.00 32.50 H new ATOM 0 HD3 ARG A 68 -9.683 0.656 -11.864 1.00 32.50 H new ATOM 0 HE ARG A 68 -8.450 -1.100 -13.424 1.00 61.02 H new ATOM 0 HH11 ARG A 68 -10.154 1.639 -14.849 1.00 55.12 H new ATOM 0 HH12 ARG A 68 -8.837 2.038 -15.956 1.00 55.12 H new ATOM 0 HH21 ARG A 68 -6.684 -0.483 -14.745 1.00 61.32 H new ATOM 0 HH22 ARG A 68 -6.882 0.841 -15.898 1.00 61.32 H new ATOM 945 N LEU A 69 -14.990 1.206 -10.452 1.00 3.00 N ATOM 946 CA LEU A 69 -16.003 1.280 -9.438 1.00 21.21 C ATOM 947 C LEU A 69 -17.334 1.741 -9.974 1.00 72.34 C ATOM 948 O LEU A 69 -17.490 2.023 -11.154 1.00 24.32 O ATOM 949 CB LEU A 69 -15.530 2.128 -8.221 1.00 5.23 C ATOM 950 CG LEU A 69 -15.009 3.552 -8.485 1.00 5.03 C ATOM 951 CD1 LEU A 69 -16.126 4.528 -8.828 1.00 20.42 C ATOM 952 CD2 LEU A 69 -14.221 4.036 -7.295 1.00 52.44 C ATOM 0 H LEU A 69 -15.180 1.744 -11.298 1.00 3.00 H new ATOM 0 HA LEU A 69 -16.164 0.263 -9.081 1.00 21.21 H new ATOM 0 HB2 LEU A 69 -16.364 2.203 -7.523 1.00 5.23 H new ATOM 0 HB3 LEU A 69 -14.740 1.573 -7.715 1.00 5.23 H new ATOM 0 HG LEU A 69 -14.357 3.508 -9.358 1.00 5.03 H new ATOM 0 HD11 LEU A 69 -15.703 5.517 -9.005 1.00 20.42 H new ATOM 0 HD12 LEU A 69 -16.643 4.189 -9.726 1.00 20.42 H new ATOM 0 HD13 LEU A 69 -16.833 4.578 -8.000 1.00 20.42 H new ATOM 0 HD21 LEU A 69 -13.854 5.044 -7.487 1.00 52.44 H new ATOM 0 HD22 LEU A 69 -14.862 4.045 -6.413 1.00 52.44 H new ATOM 0 HD23 LEU A 69 -13.376 3.369 -7.123 1.00 52.44 H new ATOM 964 N THR A 70 -18.275 1.780 -9.096 1.00 43.14 N ATOM 965 CA THR A 70 -19.591 2.233 -9.342 1.00 44.02 C ATOM 966 C THR A 70 -19.901 3.162 -8.160 1.00 71.44 C ATOM 967 O THR A 70 -19.155 3.159 -7.187 1.00 65.42 O ATOM 968 CB THR A 70 -20.559 1.018 -9.350 1.00 31.33 C ATOM 969 OG1 THR A 70 -20.003 -0.016 -10.167 1.00 63.12 O ATOM 970 CG2 THR A 70 -21.924 1.398 -9.920 1.00 51.43 C ATOM 0 H THR A 70 -18.133 1.478 -8.132 1.00 43.14 H new ATOM 0 HA THR A 70 -19.699 2.741 -10.300 1.00 44.02 H new ATOM 0 HB THR A 70 -20.688 0.681 -8.322 1.00 31.33 H new ATOM 0 HG1 THR A 70 -20.608 -0.787 -10.176 1.00 63.12 H new ATOM 0 HG21 THR A 70 -22.577 0.526 -9.912 1.00 51.43 H new ATOM 0 HG22 THR A 70 -22.365 2.188 -9.312 1.00 51.43 H new ATOM 0 HG23 THR A 70 -21.805 1.752 -10.944 1.00 51.43 H new ATOM 978 N LEU A 71 -20.959 3.932 -8.218 1.00 72.12 N ATOM 979 CA LEU A 71 -21.272 4.863 -7.132 1.00 33.12 C ATOM 980 C LEU A 71 -21.582 4.117 -5.836 1.00 25.12 C ATOM 981 O LEU A 71 -21.344 4.627 -4.751 1.00 51.41 O ATOM 982 CB LEU A 71 -22.456 5.695 -7.504 1.00 65.14 C ATOM 983 CG LEU A 71 -22.769 6.877 -6.610 1.00 43.12 C ATOM 984 CD1 LEU A 71 -21.587 7.770 -6.559 1.00 22.13 C ATOM 985 CD2 LEU A 71 -23.991 7.627 -7.111 1.00 74.33 C ATOM 0 H LEU A 71 -21.621 3.942 -8.994 1.00 72.12 H new ATOM 0 HA LEU A 71 -20.399 5.497 -6.973 1.00 33.12 H new ATOM 0 HB2 LEU A 71 -22.305 6.066 -8.518 1.00 65.14 H new ATOM 0 HB3 LEU A 71 -23.332 5.047 -7.529 1.00 65.14 H new ATOM 0 HG LEU A 71 -22.995 6.519 -5.606 1.00 43.12 H new ATOM 0 HD11 LEU A 71 -21.804 8.624 -5.917 1.00 22.13 H new ATOM 0 HD12 LEU A 71 -20.734 7.222 -6.158 1.00 22.13 H new ATOM 0 HD13 LEU A 71 -21.353 8.121 -7.564 1.00 22.13 H new ATOM 0 HD21 LEU A 71 -24.195 8.471 -6.452 1.00 74.33 H new ATOM 0 HD22 LEU A 71 -23.805 7.992 -8.121 1.00 74.33 H new ATOM 0 HD23 LEU A 71 -24.851 6.957 -7.119 1.00 74.33 H new ATOM 997 N ARG A 72 -22.078 2.877 -5.980 1.00 54.00 N ATOM 998 CA ARG A 72 -22.436 2.006 -4.837 1.00 2.23 C ATOM 999 C ARG A 72 -21.238 1.869 -3.933 1.00 4.45 C ATOM 1000 O ARG A 72 -21.354 1.842 -2.718 1.00 22.42 O ATOM 1001 CB ARG A 72 -22.702 0.579 -5.303 1.00 42.04 C ATOM 1002 CG ARG A 72 -23.555 0.391 -6.532 1.00 31.15 C ATOM 1003 CD ARG A 72 -23.568 -1.089 -6.916 1.00 34.22 C ATOM 1004 NE ARG A 72 -22.191 -1.648 -6.967 1.00 4.33 N ATOM 1005 CZ ARG A 72 -21.720 -2.553 -7.826 1.00 15.14 C ATOM 1006 NH1 ARG A 72 -22.487 -3.035 -8.814 1.00 20.33 N1+ ATOM 1007 NH2 ARG A 72 -20.468 -2.968 -7.681 1.00 21.34 N ATOM 0 H ARG A 72 -22.244 2.446 -6.889 1.00 54.00 H new ATOM 0 HA ARG A 72 -23.307 2.449 -4.354 1.00 2.23 H new ATOM 0 HB2 ARG A 72 -21.740 0.101 -5.486 1.00 42.04 H new ATOM 0 HB3 ARG A 72 -23.174 0.040 -4.481 1.00 42.04 H new ATOM 0 HG2 ARG A 72 -24.570 0.738 -6.341 1.00 31.15 H new ATOM 0 HG3 ARG A 72 -23.164 0.989 -7.355 1.00 31.15 H new ATOM 0 HD2 ARG A 72 -24.163 -1.649 -6.194 1.00 34.22 H new ATOM 0 HD3 ARG A 72 -24.048 -1.210 -7.887 1.00 34.22 H new ATOM 0 HE ARG A 72 -21.534 -1.301 -6.268 1.00 4.33 H new ATOM 0 HH11 ARG A 72 -23.448 -2.710 -8.918 1.00 20.33 H new ATOM 0 HH12 ARG A 72 -22.109 -3.727 -9.462 1.00 20.33 H new ATOM 0 HH21 ARG A 72 -19.891 -2.595 -6.927 1.00 21.34 H new ATOM 0 HH22 ARG A 72 -20.082 -3.660 -8.324 1.00 21.34 H new ATOM 1021 N GLU A 73 -20.082 1.862 -4.569 1.00 33.55 N ATOM 1022 CA GLU A 73 -18.838 1.527 -3.908 1.00 32.34 C ATOM 1023 C GLU A 73 -18.436 2.641 -2.965 1.00 73.44 C ATOM 1024 O GLU A 73 -17.892 2.409 -1.886 1.00 13.01 O ATOM 1025 CB GLU A 73 -17.742 1.316 -4.935 1.00 73.33 C ATOM 1026 CG GLU A 73 -18.173 0.432 -6.077 1.00 45.21 C ATOM 1027 CD GLU A 73 -18.490 -0.986 -5.734 1.00 31.30 C ATOM 1028 OE1 GLU A 73 -17.552 -1.787 -5.627 1.00 42.51 O ATOM 1029 OE2 GLU A 73 -19.694 -1.329 -5.681 1.00 54.33 O1- ATOM 0 H GLU A 73 -19.980 2.089 -5.558 1.00 33.55 H new ATOM 0 HA GLU A 73 -18.981 0.607 -3.341 1.00 32.34 H new ATOM 0 HB2 GLU A 73 -17.428 2.283 -5.329 1.00 73.33 H new ATOM 0 HB3 GLU A 73 -16.874 0.874 -4.447 1.00 73.33 H new ATOM 0 HG2 GLU A 73 -19.054 0.877 -6.540 1.00 45.21 H new ATOM 0 HG3 GLU A 73 -17.383 0.434 -6.828 1.00 45.21 H new ATOM 1036 N LEU A 74 -18.779 3.854 -3.368 1.00 41.13 N ATOM 1037 CA LEU A 74 -18.426 5.045 -2.633 1.00 42.11 C ATOM 1038 C LEU A 74 -19.359 5.222 -1.442 1.00 42.42 C ATOM 1039 O LEU A 74 -19.026 5.905 -0.486 1.00 42.25 O ATOM 1040 CB LEU A 74 -18.479 6.276 -3.549 1.00 35.35 C ATOM 1041 CG LEU A 74 -17.663 6.194 -4.853 1.00 3.04 C ATOM 1042 CD1 LEU A 74 -17.764 7.491 -5.637 1.00 4.44 C ATOM 1043 CD2 LEU A 74 -16.207 5.850 -4.574 1.00 0.00 C ATOM 0 H LEU A 74 -19.312 4.035 -4.219 1.00 41.13 H new ATOM 0 HA LEU A 74 -17.406 4.939 -2.263 1.00 42.11 H new ATOM 0 HB2 LEU A 74 -19.521 6.464 -3.809 1.00 35.35 H new ATOM 0 HB3 LEU A 74 -18.131 7.139 -2.982 1.00 35.35 H new ATOM 0 HG LEU A 74 -18.087 5.392 -5.458 1.00 3.04 H new ATOM 0 HD11 LEU A 74 -17.180 7.409 -6.553 1.00 4.44 H new ATOM 0 HD12 LEU A 74 -18.807 7.684 -5.888 1.00 4.44 H new ATOM 0 HD13 LEU A 74 -17.378 8.312 -5.033 1.00 4.44 H new ATOM 0 HD21 LEU A 74 -15.658 5.800 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -15.767 6.618 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -16.151 4.885 -4.069 1.00 0.00 H new ATOM 1055 N TYR A 75 -20.541 4.615 -1.523 1.00 55.01 N ATOM 1056 CA TYR A 75 -21.477 4.615 -0.403 1.00 4.02 C ATOM 1057 C TYR A 75 -21.095 3.520 0.575 1.00 11.03 C ATOM 1058 O TYR A 75 -21.178 3.701 1.783 1.00 30.42 O ATOM 1059 CB TYR A 75 -22.926 4.363 -0.844 1.00 72.21 C ATOM 1060 CG TYR A 75 -23.635 5.484 -1.572 1.00 4.41 C ATOM 1061 CD1 TYR A 75 -23.855 5.423 -2.937 1.00 44.55 C ATOM 1062 CD2 TYR A 75 -24.126 6.583 -0.876 1.00 75.44 C ATOM 1063 CE1 TYR A 75 -24.544 6.425 -3.593 1.00 60.55 C ATOM 1064 CE2 TYR A 75 -24.810 7.593 -1.527 1.00 64.22 C ATOM 1065 CZ TYR A 75 -25.015 7.506 -2.887 1.00 74.02 C ATOM 1066 OH TYR A 75 -25.706 8.501 -3.545 1.00 44.31 O ATOM 0 H TYR A 75 -20.872 4.118 -2.350 1.00 55.01 H new ATOM 0 HA TYR A 75 -21.421 5.603 0.054 1.00 4.02 H new ATOM 0 HB2 TYR A 75 -22.934 3.484 -1.489 1.00 72.21 H new ATOM 0 HB3 TYR A 75 -23.510 4.114 0.042 1.00 72.21 H new ATOM 0 HD1 TYR A 75 -23.482 4.579 -3.498 1.00 44.55 H new ATOM 0 HD2 TYR A 75 -23.971 6.649 0.191 1.00 75.44 H new ATOM 0 HE1 TYR A 75 -24.712 6.359 -4.658 1.00 60.55 H new ATOM 0 HE2 TYR A 75 -25.181 8.443 -0.974 1.00 64.22 H new ATOM 0 HH TYR A 75 -26.355 8.908 -2.934 1.00 44.31 H new ATOM 1076 N ALA A 76 -20.691 2.379 0.023 1.00 54.50 N ATOM 1077 CA ALA A 76 -20.318 1.210 0.806 1.00 50.40 C ATOM 1078 C ALA A 76 -19.112 1.496 1.679 1.00 53.02 C ATOM 1079 O ALA A 76 -19.108 1.187 2.870 1.00 45.42 O ATOM 1080 CB ALA A 76 -20.047 0.021 -0.108 1.00 74.55 C ATOM 0 H ALA A 76 -20.614 2.241 -0.985 1.00 54.50 H new ATOM 0 HA ALA A 76 -21.154 0.963 1.461 1.00 50.40 H new ATOM 0 HB1 ALA A 76 -19.769 -0.845 0.494 1.00 74.55 H new ATOM 0 HB2 ALA A 76 -20.945 -0.209 -0.682 1.00 74.55 H new ATOM 0 HB3 ALA A 76 -19.233 0.265 -0.790 1.00 74.55 H new ATOM 1086 N ALA A 77 -18.095 2.086 1.099 1.00 62.33 N ATOM 1087 CA ALA A 77 -16.925 2.426 1.855 1.00 21.51 C ATOM 1088 C ALA A 77 -16.487 3.855 1.564 1.00 5.13 C ATOM 1089 O ALA A 77 -15.609 4.097 0.730 1.00 43.54 O ATOM 1090 CB ALA A 77 -15.797 1.432 1.609 1.00 13.12 C ATOM 0 H ALA A 77 -18.058 2.338 0.111 1.00 62.33 H new ATOM 0 HA ALA A 77 -17.180 2.367 2.913 1.00 21.51 H new ATOM 0 HB1 ALA A 77 -14.925 1.718 2.197 1.00 13.12 H new ATOM 0 HB2 ALA A 77 -16.121 0.434 1.903 1.00 13.12 H new ATOM 0 HB3 ALA A 77 -15.537 1.432 0.551 1.00 13.12 H new ATOM 1096 N PRO A 78 -17.114 4.845 2.206 1.00 5.14 N ATOM 1097 CA PRO A 78 -16.765 6.212 1.992 1.00 63.42 C ATOM 1098 C PRO A 78 -15.646 6.644 2.913 1.00 23.24 C ATOM 1099 O PRO A 78 -15.883 7.150 4.001 1.00 42.51 O ATOM 1100 CB PRO A 78 -18.051 6.982 2.319 1.00 35.13 C ATOM 1101 CG PRO A 78 -18.989 5.982 2.947 1.00 64.03 C ATOM 1102 CD PRO A 78 -18.213 4.710 3.157 1.00 71.22 C ATOM 0 HA PRO A 78 -16.407 6.390 0.978 1.00 63.42 H new ATOM 0 HB2 PRO A 78 -17.848 7.808 3.001 1.00 35.13 H new ATOM 0 HB3 PRO A 78 -18.487 7.413 1.418 1.00 35.13 H new ATOM 0 HG2 PRO A 78 -19.373 6.358 3.895 1.00 64.03 H new ATOM 0 HG3 PRO A 78 -19.850 5.805 2.302 1.00 64.03 H new ATOM 0 HD2 PRO A 78 -17.853 4.620 4.182 1.00 71.22 H new ATOM 0 HD3 PRO A 78 -18.819 3.827 2.953 1.00 71.22 H new ATOM 1110 N THR A 79 -14.452 6.418 2.469 1.00 33.45 N ATOM 1111 CA THR A 79 -13.228 6.766 3.151 1.00 0.22 C ATOM 1112 C THR A 79 -12.208 6.898 2.065 1.00 73.34 C ATOM 1113 O THR A 79 -12.258 6.106 1.119 1.00 55.32 O ATOM 1114 CB THR A 79 -12.777 5.627 4.118 1.00 30.23 C ATOM 1115 OG1 THR A 79 -12.911 4.352 3.460 1.00 34.25 O ATOM 1116 CG2 THR A 79 -13.567 5.622 5.420 1.00 1.21 C ATOM 0 H THR A 79 -14.286 5.961 1.572 1.00 33.45 H new ATOM 0 HA THR A 79 -13.354 7.671 3.745 1.00 0.22 H new ATOM 0 HB THR A 79 -11.734 5.810 4.374 1.00 30.23 H new ATOM 0 HG1 THR A 79 -12.786 4.467 2.495 1.00 34.25 H new ATOM 0 HG21 THR A 79 -13.214 4.811 6.057 1.00 1.21 H new ATOM 0 HG22 THR A 79 -13.428 6.573 5.934 1.00 1.21 H new ATOM 0 HG23 THR A 79 -14.625 5.478 5.203 1.00 1.21 H new ATOM 1124 N LEU A 80 -11.299 7.852 2.141 1.00 3.32 N ATOM 1125 CA LEU A 80 -10.337 7.986 1.062 1.00 34.45 C ATOM 1126 C LEU A 80 -9.465 6.741 0.890 1.00 21.25 C ATOM 1127 O LEU A 80 -9.005 6.446 -0.231 1.00 54.44 O ATOM 1128 CB LEU A 80 -9.482 9.227 1.142 1.00 51.15 C ATOM 1129 CG LEU A 80 -10.036 10.487 0.455 1.00 50.44 C ATOM 1130 CD1 LEU A 80 -9.055 11.594 0.611 1.00 22.40 C ATOM 1131 CD2 LEU A 80 -10.244 10.262 -1.033 1.00 73.52 C ATOM 0 H LEU A 80 -11.206 8.521 2.905 1.00 3.32 H new ATOM 0 HA LEU A 80 -10.955 8.095 0.171 1.00 34.45 H new ATOM 0 HB2 LEU A 80 -9.313 9.458 2.194 1.00 51.15 H new ATOM 0 HB3 LEU A 80 -8.509 9.000 0.706 1.00 51.15 H new ATOM 0 HG LEU A 80 -10.992 10.728 0.919 1.00 50.44 H new ATOM 0 HD11 LEU A 80 -9.439 12.492 0.127 1.00 22.40 H new ATOM 0 HD12 LEU A 80 -8.896 11.793 1.671 1.00 22.40 H new ATOM 0 HD13 LEU A 80 -8.109 11.310 0.150 1.00 22.40 H new ATOM 0 HD21 LEU A 80 -10.636 11.172 -1.487 1.00 73.52 H new ATOM 0 HD22 LEU A 80 -9.293 10.005 -1.499 1.00 73.52 H new ATOM 0 HD23 LEU A 80 -10.953 9.447 -1.182 1.00 73.52 H new ATOM 1143 N ALA A 81 -9.274 6.002 1.993 1.00 64.25 N ATOM 1144 CA ALA A 81 -8.529 4.746 1.997 1.00 15.23 C ATOM 1145 C ALA A 81 -9.103 3.791 0.969 1.00 21.22 C ATOM 1146 O ALA A 81 -8.374 3.195 0.171 1.00 62.33 O ATOM 1147 CB ALA A 81 -8.599 4.087 3.371 1.00 24.04 C ATOM 0 H ALA A 81 -9.636 6.265 2.909 1.00 64.25 H new ATOM 0 HA ALA A 81 -7.491 4.970 1.753 1.00 15.23 H new ATOM 0 HB1 ALA A 81 -8.038 3.152 3.355 1.00 24.04 H new ATOM 0 HB2 ALA A 81 -8.169 4.755 4.117 1.00 24.04 H new ATOM 0 HB3 ALA A 81 -9.639 3.882 3.624 1.00 24.04 H new ATOM 1153 N ALA A 82 -10.418 3.669 0.976 1.00 41.20 N ATOM 1154 CA ALA A 82 -11.107 2.787 0.066 1.00 45.44 C ATOM 1155 C ALA A 82 -11.031 3.315 -1.351 1.00 33.40 C ATOM 1156 O ALA A 82 -10.678 2.582 -2.254 1.00 30.21 O ATOM 1157 CB ALA A 82 -12.546 2.599 0.489 1.00 31.42 C ATOM 0 H ALA A 82 -11.032 4.178 1.612 1.00 41.20 H new ATOM 0 HA ALA A 82 -10.614 1.815 0.095 1.00 45.44 H new ATOM 0 HB1 ALA A 82 -13.047 1.930 -0.211 1.00 31.42 H new ATOM 0 HB2 ALA A 82 -12.578 2.167 1.489 1.00 31.42 H new ATOM 0 HB3 ALA A 82 -13.053 3.564 0.494 1.00 31.42 H new ATOM 1163 N TRP A 83 -11.297 4.614 -1.514 1.00 2.00 N ATOM 1164 CA TRP A 83 -11.294 5.282 -2.836 1.00 1.03 C ATOM 1165 C TRP A 83 -9.969 5.055 -3.589 1.00 10.20 C ATOM 1166 O TRP A 83 -9.956 4.908 -4.806 1.00 12.21 O ATOM 1167 CB TRP A 83 -11.581 6.799 -2.696 1.00 54.12 C ATOM 1168 CG TRP A 83 -12.988 7.154 -2.258 1.00 24.14 C ATOM 1169 CD1 TRP A 83 -13.736 6.556 -1.300 1.00 14.11 C ATOM 1170 CD2 TRP A 83 -13.783 8.229 -2.756 1.00 52.00 C ATOM 1171 NE1 TRP A 83 -14.959 7.169 -1.192 1.00 75.03 N ATOM 1172 CE2 TRP A 83 -15.010 8.199 -2.077 1.00 24.31 C ATOM 1173 CE3 TRP A 83 -13.579 9.204 -3.718 1.00 21.23 C ATOM 1174 CZ2 TRP A 83 -16.024 9.109 -2.331 1.00 53.35 C ATOM 1175 CZ3 TRP A 83 -14.582 10.109 -3.972 1.00 71.31 C ATOM 1176 CH2 TRP A 83 -15.792 10.058 -3.281 1.00 41.24 C ATOM 0 H TRP A 83 -11.521 5.239 -0.740 1.00 2.00 H new ATOM 0 HA TRP A 83 -12.093 4.830 -3.423 1.00 1.03 H new ATOM 0 HB2 TRP A 83 -10.877 7.220 -1.978 1.00 54.12 H new ATOM 0 HB3 TRP A 83 -11.384 7.279 -3.655 1.00 54.12 H new ATOM 0 HD1 TRP A 83 -13.415 5.714 -0.704 1.00 14.11 H new ATOM 0 HE1 TRP A 83 -15.706 6.897 -0.553 1.00 75.03 H new ATOM 0 HE3 TRP A 83 -12.646 9.253 -4.260 1.00 21.23 H new ATOM 0 HZ2 TRP A 83 -16.962 9.068 -1.797 1.00 53.35 H new ATOM 0 HZ3 TRP A 83 -14.430 10.873 -4.720 1.00 71.31 H new ATOM 0 HH2 TRP A 83 -16.560 10.784 -3.503 1.00 41.24 H new ATOM 1187 N ASN A 84 -8.872 5.008 -2.849 1.00 34.40 N ATOM 1188 CA ASN A 84 -7.550 4.755 -3.434 1.00 54.41 C ATOM 1189 C ASN A 84 -7.385 3.276 -3.786 1.00 71.40 C ATOM 1190 O ASN A 84 -7.014 2.920 -4.916 1.00 14.00 O ATOM 1191 CB ASN A 84 -6.438 5.192 -2.459 1.00 62.30 C ATOM 1192 CG ASN A 84 -5.026 4.891 -2.953 1.00 31.01 C ATOM 1193 OD1 ASN A 84 -4.759 4.879 -4.135 1.00 64.54 O ATOM 1194 ND2 ASN A 84 -4.118 4.662 -2.037 1.00 54.55 N ATOM 0 H ASN A 84 -8.864 5.141 -1.838 1.00 34.40 H new ATOM 0 HA ASN A 84 -7.468 5.340 -4.350 1.00 54.41 H new ATOM 0 HB2 ASN A 84 -6.528 6.263 -2.278 1.00 62.30 H new ATOM 0 HB3 ASN A 84 -6.591 4.693 -1.502 1.00 62.30 H new ATOM 0 HD21 ASN A 84 -3.155 4.467 -2.311 1.00 54.55 H new ATOM 0 HD22 ASN A 84 -4.374 4.679 -1.050 1.00 54.55 H new ATOM 1201 N GLN A 85 -7.716 2.416 -2.837 1.00 73.33 N ATOM 1202 CA GLN A 85 -7.537 0.978 -3.006 1.00 63.13 C ATOM 1203 C GLN A 85 -8.464 0.402 -4.067 1.00 22.24 C ATOM 1204 O GLN A 85 -8.172 -0.624 -4.651 1.00 22.05 O ATOM 1205 CB GLN A 85 -7.688 0.245 -1.681 1.00 14.44 C ATOM 1206 CG GLN A 85 -6.640 0.639 -0.655 1.00 62.23 C ATOM 1207 CD GLN A 85 -6.871 0.006 0.697 1.00 54.33 C ATOM 1208 OE1 GLN A 85 -6.389 -1.072 0.984 1.00 54.41 O ATOM 1209 NE2 GLN A 85 -7.608 0.684 1.534 1.00 4.42 N ATOM 0 H GLN A 85 -8.112 2.687 -1.937 1.00 73.33 H new ATOM 0 HA GLN A 85 -6.518 0.824 -3.361 1.00 63.13 H new ATOM 0 HB2 GLN A 85 -8.679 0.445 -1.274 1.00 14.44 H new ATOM 0 HB3 GLN A 85 -7.627 -0.829 -1.858 1.00 14.44 H new ATOM 0 HG2 GLN A 85 -5.655 0.351 -1.021 1.00 62.23 H new ATOM 0 HG3 GLN A 85 -6.635 1.724 -0.546 1.00 62.23 H new ATOM 0 HE21 GLN A 85 -7.996 1.586 1.257 1.00 4.42 H new ATOM 0 HE22 GLN A 85 -7.796 0.312 2.465 1.00 4.42 H new ATOM 1218 N LEU A 86 -9.565 1.078 -4.343 1.00 61.53 N ATOM 1219 CA LEU A 86 -10.465 0.638 -5.391 1.00 50.12 C ATOM 1220 C LEU A 86 -9.774 0.641 -6.759 1.00 0.02 C ATOM 1221 O LEU A 86 -10.190 -0.061 -7.675 1.00 60.10 O ATOM 1222 CB LEU A 86 -11.754 1.462 -5.413 1.00 63.05 C ATOM 1223 CG LEU A 86 -12.627 1.347 -4.151 1.00 2.33 C ATOM 1224 CD1 LEU A 86 -13.888 2.139 -4.308 1.00 3.11 C ATOM 1225 CD2 LEU A 86 -12.950 -0.106 -3.824 1.00 42.34 C ATOM 0 H LEU A 86 -9.855 1.928 -3.859 1.00 61.53 H new ATOM 0 HA LEU A 86 -10.744 -0.391 -5.166 1.00 50.12 H new ATOM 0 HB2 LEU A 86 -11.494 2.510 -5.561 1.00 63.05 H new ATOM 0 HB3 LEU A 86 -12.347 1.156 -6.275 1.00 63.05 H new ATOM 0 HG LEU A 86 -12.056 1.757 -3.318 1.00 2.33 H new ATOM 0 HD11 LEU A 86 -14.492 2.045 -3.405 1.00 3.11 H new ATOM 0 HD12 LEU A 86 -13.641 3.188 -4.472 1.00 3.11 H new ATOM 0 HD13 LEU A 86 -14.451 1.762 -5.162 1.00 3.11 H new ATOM 0 HD21 LEU A 86 -13.568 -0.148 -2.927 1.00 42.34 H new ATOM 0 HD22 LEU A 86 -13.489 -0.555 -4.658 1.00 42.34 H new ATOM 0 HD23 LEU A 86 -12.024 -0.655 -3.653 1.00 42.34 H new ATOM 1237 N MET A 87 -8.738 1.459 -6.904 1.00 14.35 N ATOM 1238 CA MET A 87 -7.949 1.448 -8.120 1.00 11.01 C ATOM 1239 C MET A 87 -6.872 0.355 -8.061 1.00 32.44 C ATOM 1240 O MET A 87 -6.913 -0.621 -8.812 1.00 14.34 O ATOM 1241 CB MET A 87 -7.276 2.802 -8.350 1.00 60.41 C ATOM 1242 CG MET A 87 -8.228 3.966 -8.453 1.00 30.43 C ATOM 1243 SD MET A 87 -7.381 5.509 -8.816 1.00 73.43 S ATOM 1244 CE MET A 87 -8.775 6.618 -8.859 1.00 73.33 C ATOM 0 H MET A 87 -8.431 2.130 -6.200 1.00 14.35 H new ATOM 0 HA MET A 87 -8.628 1.242 -8.947 1.00 11.01 H new ATOM 0 HB2 MET A 87 -6.580 2.990 -7.533 1.00 60.41 H new ATOM 0 HB3 MET A 87 -6.687 2.749 -9.265 1.00 60.41 H new ATOM 0 HG2 MET A 87 -8.962 3.765 -9.233 1.00 30.43 H new ATOM 0 HG3 MET A 87 -8.778 4.067 -7.517 1.00 30.43 H new ATOM 0 HE1 MET A 87 -8.466 7.575 -9.279 1.00 73.33 H new ATOM 0 HE2 MET A 87 -9.563 6.188 -9.477 1.00 73.33 H new ATOM 0 HE3 MET A 87 -9.150 6.770 -7.847 1.00 73.33 H new ATOM 1254 N LEU A 88 -5.956 0.506 -7.101 1.00 1.52 N ATOM 1255 CA LEU A 88 -4.775 -0.385 -6.936 1.00 3.33 C ATOM 1256 C LEU A 88 -5.073 -1.812 -6.464 1.00 13.41 C ATOM 1257 O LEU A 88 -4.218 -2.671 -6.530 1.00 20.12 O ATOM 1258 CB LEU A 88 -3.742 0.261 -6.012 1.00 3.54 C ATOM 1259 CG LEU A 88 -2.856 1.345 -6.585 1.00 55.01 C ATOM 1260 CD1 LEU A 88 -3.643 2.441 -7.247 1.00 44.32 C ATOM 1261 CD2 LEU A 88 -1.999 1.909 -5.494 1.00 12.23 C ATOM 0 H LEU A 88 -6.001 1.251 -6.405 1.00 1.52 H new ATOM 0 HA LEU A 88 -4.381 -0.498 -7.946 1.00 3.33 H new ATOM 0 HB2 LEU A 88 -4.274 0.681 -5.158 1.00 3.54 H new ATOM 0 HB3 LEU A 88 -3.097 -0.529 -5.628 1.00 3.54 H new ATOM 0 HG LEU A 88 -2.234 0.894 -7.358 1.00 55.01 H new ATOM 0 HD11 LEU A 88 -2.959 3.193 -7.641 1.00 44.32 H new ATOM 0 HD12 LEU A 88 -4.233 2.024 -8.063 1.00 44.32 H new ATOM 0 HD13 LEU A 88 -4.309 2.903 -6.518 1.00 44.32 H new ATOM 0 HD21 LEU A 88 -1.358 2.691 -5.902 1.00 12.23 H new ATOM 0 HD22 LEU A 88 -2.633 2.330 -4.714 1.00 12.23 H new ATOM 0 HD23 LEU A 88 -1.381 1.117 -5.071 1.00 12.23 H new ATOM 1273 N SER A 89 -6.240 -2.062 -5.942 1.00 72.02 N ATOM 1274 CA SER A 89 -6.562 -3.411 -5.514 1.00 42.52 C ATOM 1275 C SER A 89 -7.593 -4.058 -6.441 1.00 72.21 C ATOM 1276 O SER A 89 -8.126 -5.128 -6.154 1.00 30.22 O ATOM 1277 CB SER A 89 -7.026 -3.396 -4.062 1.00 52.52 C ATOM 1278 OG SER A 89 -6.050 -2.747 -3.256 1.00 11.20 O ATOM 0 H SER A 89 -6.977 -1.371 -5.801 1.00 72.02 H new ATOM 0 HA SER A 89 -5.663 -4.025 -5.575 1.00 42.52 H new ATOM 0 HB2 SER A 89 -7.982 -2.879 -3.980 1.00 52.52 H new ATOM 0 HB3 SER A 89 -7.184 -4.415 -3.710 1.00 52.52 H new ATOM 0 HG SER A 89 -6.350 -2.737 -2.323 1.00 11.20 H new ATOM 1284 N ARG A 90 -7.874 -3.399 -7.551 1.00 73.42 N ATOM 1285 CA ARG A 90 -8.785 -3.940 -8.551 1.00 0.10 C ATOM 1286 C ARG A 90 -8.127 -3.947 -9.914 1.00 1.40 C ATOM 1287 O ARG A 90 -8.744 -4.276 -10.928 1.00 15.34 O ATOM 1288 CB ARG A 90 -10.096 -3.165 -8.588 1.00 31.43 C ATOM 1289 CG ARG A 90 -10.950 -3.360 -7.350 1.00 63.21 C ATOM 1290 CD ARG A 90 -12.252 -2.614 -7.469 1.00 21.21 C ATOM 1291 NE ARG A 90 -13.157 -2.896 -6.338 1.00 40.33 N ATOM 1292 CZ ARG A 90 -14.430 -2.455 -6.229 1.00 30.41 C ATOM 1293 NH1 ARG A 90 -14.920 -1.572 -7.089 1.00 41.41 N1+ ATOM 1294 NH2 ARG A 90 -15.201 -2.870 -5.229 1.00 1.01 N ATOM 0 H ARG A 90 -7.485 -2.486 -7.785 1.00 73.42 H new ATOM 0 HA ARG A 90 -9.019 -4.967 -8.271 1.00 0.10 H new ATOM 0 HB2 ARG A 90 -9.878 -2.104 -8.706 1.00 31.43 H new ATOM 0 HB3 ARG A 90 -10.666 -3.472 -9.465 1.00 31.43 H new ATOM 0 HG2 ARG A 90 -11.147 -4.422 -7.204 1.00 63.21 H new ATOM 0 HG3 ARG A 90 -10.407 -3.013 -6.471 1.00 63.21 H new ATOM 0 HD2 ARG A 90 -12.053 -1.543 -7.516 1.00 21.21 H new ATOM 0 HD3 ARG A 90 -12.743 -2.888 -8.403 1.00 21.21 H new ATOM 0 HE ARG A 90 -12.793 -3.470 -5.577 1.00 40.33 H new ATOM 0 HH11 ARG A 90 -14.334 -1.217 -7.845 1.00 41.41 H new ATOM 0 HH12 ARG A 90 -15.883 -1.248 -6.995 1.00 41.41 H new ATOM 0 HH21 ARG A 90 -14.833 -3.525 -4.539 1.00 1.01 H new ATOM 0 HH22 ARG A 90 -16.161 -2.534 -5.152 1.00 1.01 H new ATOM 1308 N SER A 91 -6.879 -3.568 -9.925 1.00 71.43 N ATOM 1309 CA SER A 91 -6.034 -3.496 -11.088 1.00 4.33 C ATOM 1310 C SER A 91 -4.612 -3.432 -10.539 1.00 3.14 C ATOM 1311 O SER A 91 -4.483 -3.534 -9.327 1.00 34.45 O ATOM 1312 CB SER A 91 -6.391 -2.225 -11.891 1.00 72.24 C ATOM 1313 OG SER A 91 -7.706 -2.307 -12.425 1.00 12.12 O ATOM 0 H SER A 91 -6.395 -3.284 -9.073 1.00 71.43 H new ATOM 0 HA SER A 91 -6.153 -4.344 -11.763 1.00 4.33 H new ATOM 0 HB2 SER A 91 -6.311 -1.350 -11.246 1.00 72.24 H new ATOM 0 HB3 SER A 91 -5.674 -2.090 -12.701 1.00 72.24 H new ATOM 0 HG SER A 91 -8.101 -3.173 -12.190 1.00 12.12 H new ATOM 1319 N PRO A 92 -3.524 -3.368 -11.390 1.00 41.24 N ATOM 1320 CA PRO A 92 -2.148 -3.145 -10.892 1.00 30.33 C ATOM 1321 C PRO A 92 -2.083 -2.064 -9.800 1.00 73.25 C ATOM 1322 O PRO A 92 -2.863 -1.083 -9.822 1.00 11.51 O ATOM 1323 CB PRO A 92 -1.406 -2.699 -12.142 1.00 64.11 C ATOM 1324 CG PRO A 92 -2.064 -3.457 -13.245 1.00 4.11 C ATOM 1325 CD PRO A 92 -3.520 -3.614 -12.855 1.00 13.20 C ATOM 0 HA PRO A 92 -1.728 -4.034 -10.421 1.00 30.33 H new ATOM 0 HB2 PRO A 92 -1.490 -1.623 -12.293 1.00 64.11 H new ATOM 0 HB3 PRO A 92 -0.343 -2.930 -12.078 1.00 64.11 H new ATOM 0 HG2 PRO A 92 -1.972 -2.923 -14.191 1.00 4.11 H new ATOM 0 HG3 PRO A 92 -1.592 -4.430 -13.381 1.00 4.11 H new ATOM 0 HD2 PRO A 92 -4.154 -2.901 -13.382 1.00 13.20 H new ATOM 0 HD3 PRO A 92 -3.893 -4.610 -13.094 1.00 13.20 H new ATOM 1333 N GLU A 93 -1.145 -2.232 -8.911 1.00 51.24 N ATOM 1334 CA GLU A 93 -1.033 -1.443 -7.711 1.00 21.52 C ATOM 1335 C GLU A 93 -0.389 -0.076 -7.929 1.00 13.33 C ATOM 1336 O GLU A 93 0.696 0.159 -7.387 1.00 12.51 O ATOM 1337 CB GLU A 93 -0.293 -2.266 -6.615 1.00 31.14 C ATOM 1338 CG GLU A 93 0.751 -3.314 -7.126 1.00 60.21 C ATOM 1339 CD GLU A 93 1.896 -2.755 -7.974 1.00 10.41 C ATOM 1340 OE1 GLU A 93 2.972 -2.421 -7.408 1.00 61.11 O ATOM 1341 OE2 GLU A 93 1.743 -2.658 -9.222 1.00 24.30 O1- ATOM 1342 OXT GLU A 93 -0.962 0.782 -8.681 1.00 37.26 O1- ATOM 0 H GLU A 93 -0.416 -2.940 -9.001 1.00 51.24 H new ATOM 0 HA GLU A 93 -2.045 -1.220 -7.375 1.00 21.52 H new ATOM 0 HB2 GLU A 93 0.218 -1.570 -5.950 1.00 31.14 H new ATOM 0 HB3 GLU A 93 -1.039 -2.789 -6.017 1.00 31.14 H new ATOM 0 HG2 GLU A 93 1.179 -3.823 -6.262 1.00 60.21 H new ATOM 0 HG3 GLU A 93 0.224 -4.067 -7.712 1.00 60.21 H new TER 1349 GLU A 93