USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 932 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 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 MET CE :methyl 175:sc= -0.143 (180deg=-0.283) USER MOD Set 1.3: A 101 TYR OH : rot -124:sc= 1.33 USER MOD Set 1.4: A 113 HIS : no HD1:sc= -0.12 X(o=1.1,f=0.7) USER MOD Set 2.1: A 41 ASN : amide:sc= 0.374 K(o=1.6,f=-6.6) USER MOD Set 2.2: A 79 LYS NZ :NH3+ -157:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 37 TYR OH : rot 32:sc= 0.301 USER MOD Set 3.2: A 49 HIS : no HD1:sc= 0.789 K(o=1.7,f=-9.9!) USER MOD Set 3.3: A 77 HIS : no HD1:sc= 0.912 K(o=1.7,f=-7.8!) USER MOD Set 3.4: A 78 MET CE :methyl 140:sc= -0.289 (180deg=-1.22) USER MOD Set 3.5: A 81 MET CE :methyl 177:sc= -0.0166 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -8:sc= 0.576 USER MOD Set 4.2: A 98 MET CE :methyl 174:sc= -0.153 (180deg=-0.284) USER MOD Set 5.1: A 10 ASN : amide:sc= -2.6! C(o=-2.3!,f=-6.8!) USER MOD Set 5.2: A 11 THR OG1 : rot 72:sc= 0.252 USER MOD Set 6.1: A 6 GLN : amide:sc= 0.678 K(o=1.4,f=-1.7) USER MOD Set 6.2: A 124 LYS NZ :NH3+ 160:sc= 0.769 (180deg=0) USER MOD Set 7.1: A 1 MET N :NH3+ -174:sc= 0.531 (180deg=-0.0283) USER MOD Set 7.2: A 97 TYR OH : rot -140:sc= 0.797 USER MOD Single : A 1 MET CE :methyl -113:sc= -0.406 (180deg=-5.14!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -88:sc= 0.607 USER MOD Single : A 12 SER OG : rot 80:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-0.96) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0803) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0534 USER MOD Single : A 36 SER OG : rot 69:sc= 0.181 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 40 THR OG1 : rot -17:sc= 0.25 USER MOD Single : A 44 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 48 HIS :FLIP no HE2:sc= 0.14 F(o=-0.73,f=0.14) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.211 K(o=0.21,f=-0.36) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.041 (180deg=-0.352) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 76 SER OG : rot -68:sc= -0.694 USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 0.337 (180deg=0.167) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.109) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -47:sc= 0.63 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.228 15.800 -1.811 1.00 73.12 N ATOM 2 CA MET A 1 -4.263 15.689 -3.293 1.00 72.20 C ATOM 3 C MET A 1 -5.700 15.372 -3.749 1.00 52.52 C ATOM 4 O MET A 1 -6.414 14.622 -3.075 1.00 53.30 O ATOM 5 CB MET A 1 -3.288 14.588 -3.801 1.00 41.43 C ATOM 6 CG MET A 1 -1.876 14.626 -3.200 1.00 12.32 C ATOM 7 SD MET A 1 -1.067 16.229 -3.389 1.00 72.11 S ATOM 8 CE MET A 1 0.563 15.886 -2.720 1.00 53.21 C ATOM 0 H1 MET A 1 -3.284 16.113 -1.509 1.00 73.12 H new ATOM 0 H2 MET A 1 -4.939 16.491 -1.498 1.00 73.12 H new ATOM 0 H3 MET A 1 -4.437 14.873 -1.388 1.00 73.12 H new ATOM 0 HA MET A 1 -3.942 16.640 -3.718 1.00 72.20 H new ATOM 0 HB2 MET A 1 -3.727 13.613 -3.590 1.00 41.43 H new ATOM 0 HB3 MET A 1 -3.205 14.673 -4.885 1.00 41.43 H new ATOM 0 HG2 MET A 1 -1.932 14.377 -2.140 1.00 12.32 H new ATOM 0 HG3 MET A 1 -1.265 13.859 -3.676 1.00 12.32 H new ATOM 0 HE1 MET A 1 0.703 16.448 -1.797 1.00 53.21 H new ATOM 0 HE2 MET A 1 0.654 14.820 -2.513 1.00 53.21 H new ATOM 0 HE3 MET A 1 1.323 16.181 -3.444 1.00 53.21 H new ATOM 20 N LYS A 2 -6.121 15.943 -4.887 1.00 12.53 N ATOM 21 CA LYS A 2 -7.469 15.712 -5.459 1.00 52.33 C ATOM 22 C LYS A 2 -7.356 14.950 -6.800 1.00 24.42 C ATOM 23 O LYS A 2 -6.292 14.946 -7.428 1.00 42.14 O ATOM 24 CB LYS A 2 -8.213 17.069 -5.641 1.00 70.41 C ATOM 25 CG LYS A 2 -8.352 17.891 -4.334 1.00 23.11 C ATOM 26 CD LYS A 2 -9.180 19.190 -4.500 1.00 0.54 C ATOM 27 CE LYS A 2 -8.583 20.175 -5.521 1.00 22.52 C ATOM 28 NZ LYS A 2 -9.369 21.434 -5.594 1.00 63.02 N ATOM 0 H LYS A 2 -5.544 16.577 -5.440 1.00 12.53 H new ATOM 0 HA LYS A 2 -8.050 15.098 -4.771 1.00 52.33 H new ATOM 0 HB2 LYS A 2 -7.680 17.668 -6.380 1.00 70.41 H new ATOM 0 HB3 LYS A 2 -9.207 16.876 -6.044 1.00 70.41 H new ATOM 0 HG2 LYS A 2 -8.819 17.268 -3.571 1.00 23.11 H new ATOM 0 HG3 LYS A 2 -7.357 18.149 -3.970 1.00 23.11 H new ATOM 0 HD2 LYS A 2 -10.192 18.929 -4.809 1.00 0.54 H new ATOM 0 HD3 LYS A 2 -9.260 19.686 -3.533 1.00 0.54 H new ATOM 0 HE2 LYS A 2 -7.553 20.404 -5.247 1.00 22.52 H new ATOM 0 HE3 LYS A 2 -8.554 19.706 -6.505 1.00 22.52 H new ATOM 0 HZ1 LYS A 2 -8.937 22.073 -6.292 1.00 63.02 H new ATOM 0 HZ2 LYS A 2 -10.345 21.218 -5.880 1.00 63.02 H new ATOM 0 HZ3 LYS A 2 -9.376 21.894 -4.661 1.00 63.02 H new ATOM 42 N VAL A 3 -8.449 14.296 -7.231 1.00 21.31 N ATOM 43 CA VAL A 3 -8.450 13.491 -8.475 1.00 41.44 C ATOM 44 C VAL A 3 -8.231 14.381 -9.738 1.00 50.35 C ATOM 45 O VAL A 3 -8.952 15.357 -9.970 1.00 44.53 O ATOM 46 CB VAL A 3 -9.766 12.633 -8.607 1.00 22.25 C ATOM 47 CG1 VAL A 3 -9.779 11.788 -9.909 1.00 25.15 C ATOM 48 CG2 VAL A 3 -9.963 11.731 -7.359 1.00 43.45 C ATOM 0 H VAL A 3 -9.343 14.306 -6.741 1.00 21.31 H new ATOM 0 HA VAL A 3 -7.609 12.801 -8.410 1.00 41.44 H new ATOM 0 HB VAL A 3 -10.603 13.329 -8.665 1.00 22.25 H new ATOM 0 HG11 VAL A 3 -10.703 11.212 -9.960 1.00 25.15 H new ATOM 0 HG12 VAL A 3 -9.716 12.450 -10.773 1.00 25.15 H new ATOM 0 HG13 VAL A 3 -8.927 11.108 -9.910 1.00 25.15 H new ATOM 0 HG21 VAL A 3 -10.877 11.148 -7.472 1.00 43.45 H new ATOM 0 HG22 VAL A 3 -9.112 11.057 -7.260 1.00 43.45 H new ATOM 0 HG23 VAL A 3 -10.038 12.354 -6.468 1.00 43.45 H new ATOM 58 N GLY A 4 -7.206 14.025 -10.526 1.00 24.42 N ATOM 59 CA GLY A 4 -6.779 14.792 -11.705 1.00 2.22 C ATOM 60 C GLY A 4 -5.496 15.601 -11.465 1.00 35.33 C ATOM 61 O GLY A 4 -5.000 16.266 -12.382 1.00 62.55 O ATOM 0 H GLY A 4 -6.645 13.189 -10.361 1.00 24.42 H new ATOM 0 HA2 GLY A 4 -6.619 14.107 -12.538 1.00 2.22 H new ATOM 0 HA3 GLY A 4 -7.580 15.471 -11.999 1.00 2.22 H new ATOM 65 N SER A 5 -4.963 15.566 -10.223 1.00 73.23 N ATOM 66 CA SER A 5 -3.722 16.303 -9.855 1.00 24.32 C ATOM 67 C SER A 5 -2.440 15.542 -10.271 1.00 45.33 C ATOM 68 O SER A 5 -2.398 14.307 -10.244 1.00 34.43 O ATOM 69 CB SER A 5 -3.680 16.590 -8.329 1.00 3.01 C ATOM 70 OG SER A 5 -3.458 15.417 -7.557 1.00 52.43 O ATOM 0 H SER A 5 -5.371 15.035 -9.453 1.00 73.23 H new ATOM 0 HA SER A 5 -3.748 17.245 -10.403 1.00 24.32 H new ATOM 0 HB2 SER A 5 -2.891 17.312 -8.121 1.00 3.01 H new ATOM 0 HB3 SER A 5 -4.620 17.049 -8.024 1.00 3.01 H new ATOM 0 HG SER A 5 -4.317 14.992 -7.353 1.00 52.43 H new ATOM 76 N GLN A 6 -1.401 16.306 -10.664 1.00 25.40 N ATOM 77 CA GLN A 6 -0.049 15.772 -10.933 1.00 52.20 C ATOM 78 C GLN A 6 0.832 15.891 -9.675 1.00 63.21 C ATOM 79 O GLN A 6 0.932 16.967 -9.072 1.00 23.53 O ATOM 80 CB GLN A 6 0.629 16.529 -12.107 1.00 53.42 C ATOM 81 CG GLN A 6 0.006 16.275 -13.489 1.00 20.23 C ATOM 82 CD GLN A 6 0.788 16.940 -14.632 1.00 65.55 C ATOM 83 OE1 GLN A 6 1.389 18.001 -14.470 1.00 40.22 O ATOM 84 NE2 GLN A 6 0.828 16.300 -15.779 1.00 3.21 N ATOM 0 H GLN A 6 -1.475 17.314 -10.804 1.00 25.40 H new ATOM 0 HA GLN A 6 -0.156 14.723 -11.208 1.00 52.20 H new ATOM 0 HB2 GLN A 6 0.592 17.598 -11.899 1.00 53.42 H new ATOM 0 HB3 GLN A 6 1.681 16.247 -12.142 1.00 53.42 H new ATOM 0 HG2 GLN A 6 -0.044 15.201 -13.667 1.00 20.23 H new ATOM 0 HG3 GLN A 6 -1.019 16.646 -13.493 1.00 20.23 H new ATOM 0 HE21 GLN A 6 0.322 15.422 -15.891 1.00 3.21 H new ATOM 0 HE22 GLN A 6 1.365 16.682 -16.558 1.00 3.21 H new ATOM 93 N VAL A 7 1.463 14.777 -9.288 1.00 31.32 N ATOM 94 CA VAL A 7 2.428 14.730 -8.175 1.00 72.25 C ATOM 95 C VAL A 7 3.715 13.991 -8.617 1.00 45.04 C ATOM 96 O VAL A 7 3.683 13.160 -9.524 1.00 0.23 O ATOM 97 CB VAL A 7 1.808 14.035 -6.896 1.00 61.05 C ATOM 98 CG1 VAL A 7 0.631 14.862 -6.318 1.00 31.34 C ATOM 99 CG2 VAL A 7 1.366 12.577 -7.189 1.00 61.33 C ATOM 0 H VAL A 7 1.320 13.874 -9.740 1.00 31.32 H new ATOM 0 HA VAL A 7 2.678 15.756 -7.906 1.00 72.25 H new ATOM 0 HB VAL A 7 2.595 13.995 -6.143 1.00 61.05 H new ATOM 0 HG11 VAL A 7 0.228 14.357 -5.440 1.00 31.34 H new ATOM 0 HG12 VAL A 7 0.987 15.853 -6.035 1.00 31.34 H new ATOM 0 HG13 VAL A 7 -0.150 14.959 -7.072 1.00 31.34 H new ATOM 0 HG21 VAL A 7 0.946 12.136 -6.285 1.00 61.33 H new ATOM 0 HG22 VAL A 7 0.613 12.576 -7.977 1.00 61.33 H new ATOM 0 HG23 VAL A 7 2.228 11.993 -7.511 1.00 61.33 H new ATOM 109 N ILE A 8 4.848 14.325 -7.989 1.00 14.25 N ATOM 110 CA ILE A 8 6.133 13.615 -8.187 1.00 43.30 C ATOM 111 C ILE A 8 6.390 12.681 -6.982 1.00 31.40 C ATOM 112 O ILE A 8 6.256 13.100 -5.831 1.00 34.53 O ATOM 113 CB ILE A 8 7.331 14.630 -8.360 1.00 54.52 C ATOM 114 CG1 ILE A 8 7.031 15.661 -9.498 1.00 32.54 C ATOM 115 CG2 ILE A 8 8.679 13.899 -8.623 1.00 72.43 C ATOM 116 CD1 ILE A 8 6.837 15.061 -10.885 1.00 15.01 C ATOM 0 H ILE A 8 4.908 15.097 -7.325 1.00 14.25 H new ATOM 0 HA ILE A 8 6.068 13.026 -9.102 1.00 43.30 H new ATOM 0 HB ILE A 8 7.431 15.172 -7.420 1.00 54.52 H new ATOM 0 HG12 ILE A 8 6.133 16.219 -9.233 1.00 32.54 H new ATOM 0 HG13 ILE A 8 7.851 16.378 -9.542 1.00 32.54 H new ATOM 0 HG21 ILE A 8 9.476 14.634 -8.736 1.00 72.43 H new ATOM 0 HG22 ILE A 8 8.907 13.243 -7.783 1.00 72.43 H new ATOM 0 HG23 ILE A 8 8.600 13.307 -9.535 1.00 72.43 H new ATOM 0 HD11 ILE A 8 6.635 15.858 -11.601 1.00 15.01 H new ATOM 0 HD12 ILE A 8 7.741 14.528 -11.181 1.00 15.01 H new ATOM 0 HD13 ILE A 8 5.997 14.367 -10.867 1.00 15.01 H new ATOM 128 N ILE A 9 6.764 11.423 -7.250 1.00 11.25 N ATOM 129 CA ILE A 9 6.950 10.403 -6.197 1.00 72.14 C ATOM 130 C ILE A 9 8.324 10.610 -5.495 1.00 43.44 C ATOM 131 O ILE A 9 9.368 10.452 -6.129 1.00 13.22 O ATOM 132 CB ILE A 9 6.857 8.953 -6.806 1.00 33.55 C ATOM 133 CG1 ILE A 9 5.608 8.815 -7.739 1.00 2.20 C ATOM 134 CG2 ILE A 9 6.822 7.890 -5.689 1.00 33.24 C ATOM 135 CD1 ILE A 9 5.471 7.466 -8.444 1.00 45.13 C ATOM 0 H ILE A 9 6.946 11.081 -8.193 1.00 11.25 H new ATOM 0 HA ILE A 9 6.156 10.514 -5.459 1.00 72.14 H new ATOM 0 HB ILE A 9 7.749 8.785 -7.409 1.00 33.55 H new ATOM 0 HG12 ILE A 9 4.710 8.991 -7.146 1.00 2.20 H new ATOM 0 HG13 ILE A 9 5.650 9.600 -8.494 1.00 2.20 H new ATOM 0 HG21 ILE A 9 6.758 6.897 -6.134 1.00 33.24 H new ATOM 0 HG22 ILE A 9 7.730 7.961 -5.090 1.00 33.24 H new ATOM 0 HG23 ILE A 9 5.953 8.059 -5.053 1.00 33.24 H new ATOM 0 HD11 ILE A 9 4.576 7.470 -9.066 1.00 45.13 H new ATOM 0 HD12 ILE A 9 6.347 7.292 -9.069 1.00 45.13 H new ATOM 0 HD13 ILE A 9 5.392 6.673 -7.700 1.00 45.13 H new ATOM 147 N ASN A 10 8.324 10.998 -4.199 1.00 53.04 N ATOM 148 CA ASN A 10 9.584 11.234 -3.437 1.00 44.21 C ATOM 149 C ASN A 10 10.057 9.952 -2.700 1.00 10.41 C ATOM 150 O ASN A 10 11.256 9.733 -2.516 1.00 41.03 O ATOM 151 CB ASN A 10 9.431 12.439 -2.450 1.00 54.11 C ATOM 152 CG ASN A 10 8.307 12.310 -1.409 1.00 5.02 C ATOM 153 OD1 ASN A 10 7.938 11.234 -0.973 1.00 4.31 O ATOM 154 ND2 ASN A 10 7.770 13.427 -0.973 1.00 14.12 N ATOM 0 H ASN A 10 7.474 11.155 -3.657 1.00 53.04 H new ATOM 0 HA ASN A 10 10.359 11.494 -4.159 1.00 44.21 H new ATOM 0 HB2 ASN A 10 10.375 12.575 -1.923 1.00 54.11 H new ATOM 0 HB3 ASN A 10 9.258 13.343 -3.034 1.00 54.11 H new ATOM 0 HD21 ASN A 10 7.038 13.398 -0.264 1.00 14.12 H new ATOM 0 HD22 ASN A 10 8.085 14.323 -1.344 1.00 14.12 H new ATOM 161 N THR A 11 9.092 9.110 -2.291 1.00 3.41 N ATOM 162 CA THR A 11 9.342 7.853 -1.546 1.00 61.31 C ATOM 163 C THR A 11 8.678 6.673 -2.273 1.00 74.31 C ATOM 164 O THR A 11 7.562 6.802 -2.778 1.00 34.34 O ATOM 165 CB THR A 11 8.779 7.960 -0.086 1.00 35.44 C ATOM 166 OG1 THR A 11 9.412 9.054 0.591 1.00 62.23 O ATOM 167 CG2 THR A 11 8.958 6.668 0.739 1.00 41.02 C ATOM 0 H THR A 11 8.102 9.281 -2.468 1.00 3.41 H new ATOM 0 HA THR A 11 10.418 7.687 -1.496 1.00 61.31 H new ATOM 0 HB THR A 11 7.706 8.127 -0.175 1.00 35.44 H new ATOM 0 HG1 THR A 11 9.074 9.901 0.231 1.00 62.23 H new ATOM 0 HG21 THR A 11 8.546 6.814 1.738 1.00 41.02 H new ATOM 0 HG22 THR A 11 8.436 5.847 0.248 1.00 41.02 H new ATOM 0 HG23 THR A 11 10.019 6.429 0.815 1.00 41.02 H new ATOM 175 N SER A 12 9.360 5.517 -2.296 1.00 51.01 N ATOM 176 CA SER A 12 8.870 4.307 -2.990 1.00 42.41 C ATOM 177 C SER A 12 9.451 3.035 -2.363 1.00 31.12 C ATOM 178 O SER A 12 10.632 2.995 -2.016 1.00 40.42 O ATOM 179 CB SER A 12 9.249 4.340 -4.488 1.00 30.21 C ATOM 180 OG SER A 12 8.675 5.435 -5.161 1.00 53.12 O ATOM 0 H SER A 12 10.262 5.391 -1.838 1.00 51.01 H new ATOM 0 HA SER A 12 7.785 4.296 -2.887 1.00 42.41 H new ATOM 0 HB2 SER A 12 10.334 4.385 -4.585 1.00 30.21 H new ATOM 0 HB3 SER A 12 8.925 3.414 -4.963 1.00 30.21 H new ATOM 0 HG SER A 12 9.203 6.241 -4.983 1.00 53.12 H new ATOM 186 N HIS A 13 8.606 1.998 -2.240 1.00 23.22 N ATOM 187 CA HIS A 13 9.038 0.639 -1.842 1.00 32.12 C ATOM 188 C HIS A 13 9.660 -0.096 -3.051 1.00 12.52 C ATOM 189 O HIS A 13 10.472 -1.011 -2.888 1.00 2.25 O ATOM 190 CB HIS A 13 7.832 -0.143 -1.262 1.00 51.01 C ATOM 191 CG HIS A 13 7.235 0.521 -0.040 1.00 21.35 C ATOM 192 ND1 HIS A 13 7.565 0.114 1.231 1.00 34.24 N ATOM 193 CD2 HIS A 13 6.381 1.574 0.046 1.00 4.23 C ATOM 194 CE1 HIS A 13 6.916 0.920 2.049 1.00 71.00 C ATOM 195 NE2 HIS A 13 6.185 1.817 1.377 1.00 20.24 N ATOM 0 H HIS A 13 7.604 2.074 -2.413 1.00 23.22 H new ATOM 0 HA HIS A 13 9.802 0.710 -1.068 1.00 32.12 H new ATOM 0 HB2 HIS A 13 7.064 -0.239 -2.029 1.00 51.01 H new ATOM 0 HB3 HIS A 13 8.151 -1.153 -1.002 1.00 51.01 H new ATOM 0 HD2 HIS A 13 5.941 2.115 -0.779 1.00 4.23 H new ATOM 0 HE1 HIS A 13 6.968 0.863 3.126 1.00 71.00 H new ATOM 0 HE2 HIS A 13 5.594 2.544 1.781 1.00 20.24 H new ATOM 203 N MET A 14 9.243 0.318 -4.268 1.00 73.22 N ATOM 204 CA MET A 14 9.836 -0.128 -5.543 1.00 64.42 C ATOM 205 C MET A 14 10.865 0.931 -6.037 1.00 63.23 C ATOM 206 O MET A 14 10.519 2.103 -6.188 1.00 43.20 O ATOM 207 CB MET A 14 8.726 -0.331 -6.617 1.00 51.42 C ATOM 208 CG MET A 14 7.571 -1.274 -6.233 1.00 41.53 C ATOM 209 SD MET A 14 6.543 -0.617 -4.897 1.00 10.44 S ATOM 210 CE MET A 14 5.202 -1.804 -4.856 1.00 34.11 C ATOM 0 H MET A 14 8.476 0.979 -4.391 1.00 73.22 H new ATOM 0 HA MET A 14 10.343 -1.080 -5.384 1.00 64.42 H new ATOM 0 HB2 MET A 14 8.305 0.644 -6.862 1.00 51.42 H new ATOM 0 HB3 MET A 14 9.193 -0.714 -7.524 1.00 51.42 H new ATOM 0 HG2 MET A 14 6.948 -1.454 -7.109 1.00 41.53 H new ATOM 0 HG3 MET A 14 7.980 -2.238 -5.930 1.00 41.53 H new ATOM 0 HE1 MET A 14 4.492 -1.524 -4.078 1.00 34.11 H new ATOM 0 HE2 MET A 14 4.696 -1.815 -5.822 1.00 34.11 H new ATOM 0 HE3 MET A 14 5.601 -2.796 -4.644 1.00 34.11 H new ATOM 220 N LYS A 15 12.113 0.503 -6.297 1.00 51.32 N ATOM 221 CA LYS A 15 13.229 1.409 -6.707 1.00 54.05 C ATOM 222 C LYS A 15 12.948 2.166 -8.039 1.00 0.51 C ATOM 223 O LYS A 15 13.441 3.282 -8.240 1.00 22.14 O ATOM 224 CB LYS A 15 14.586 0.626 -6.800 1.00 64.25 C ATOM 225 CG LYS A 15 14.771 -0.340 -8.007 1.00 71.52 C ATOM 226 CD LYS A 15 13.784 -1.528 -8.017 1.00 34.10 C ATOM 227 CE LYS A 15 14.038 -2.511 -9.172 1.00 54.32 C ATOM 228 NZ LYS A 15 15.354 -3.190 -9.043 1.00 54.42 N ATOM 0 H LYS A 15 12.388 -0.477 -6.232 1.00 51.32 H new ATOM 0 HA LYS A 15 13.305 2.165 -5.925 1.00 54.05 H new ATOM 0 HB2 LYS A 15 15.396 1.356 -6.825 1.00 64.25 H new ATOM 0 HB3 LYS A 15 14.706 0.048 -5.884 1.00 64.25 H new ATOM 0 HG2 LYS A 15 14.654 0.224 -8.932 1.00 71.52 H new ATOM 0 HG3 LYS A 15 15.790 -0.727 -7.997 1.00 71.52 H new ATOM 0 HD2 LYS A 15 13.858 -2.062 -7.070 1.00 34.10 H new ATOM 0 HD3 LYS A 15 12.766 -1.146 -8.089 1.00 34.10 H new ATOM 0 HE2 LYS A 15 13.245 -3.258 -9.194 1.00 54.32 H new ATOM 0 HE3 LYS A 15 13.997 -1.975 -10.120 1.00 54.32 H new ATOM 0 HZ1 LYS A 15 15.423 -3.950 -9.749 1.00 54.42 H new ATOM 0 HZ2 LYS A 15 16.117 -2.501 -9.200 1.00 54.42 H new ATOM 0 HZ3 LYS A 15 15.444 -3.595 -8.089 1.00 54.42 H new ATOM 242 N GLY A 16 12.137 1.551 -8.922 1.00 62.44 N ATOM 243 CA GLY A 16 11.799 2.132 -10.236 1.00 62.45 C ATOM 244 C GLY A 16 10.744 3.243 -10.190 1.00 53.42 C ATOM 245 O GLY A 16 10.562 3.973 -11.166 1.00 45.24 O ATOM 0 H GLY A 16 11.701 0.646 -8.747 1.00 62.44 H new ATOM 0 HA2 GLY A 16 12.708 2.530 -10.687 1.00 62.45 H new ATOM 0 HA3 GLY A 16 11.441 1.336 -10.889 1.00 62.45 H new ATOM 249 N MET A 17 10.065 3.382 -9.048 1.00 13.15 N ATOM 250 CA MET A 17 8.970 4.364 -8.860 1.00 12.13 C ATOM 251 C MET A 17 9.493 5.704 -8.307 1.00 15.33 C ATOM 252 O MET A 17 8.853 6.746 -8.483 1.00 34.03 O ATOM 253 CB MET A 17 7.922 3.774 -7.891 1.00 4.12 C ATOM 254 CG MET A 17 7.198 2.535 -8.412 1.00 73.42 C ATOM 255 SD MET A 17 6.210 1.697 -7.144 1.00 40.15 S ATOM 256 CE MET A 17 5.397 3.036 -6.280 1.00 52.04 C ATOM 0 H MET A 17 10.253 2.819 -8.219 1.00 13.15 H new ATOM 0 HA MET A 17 8.518 4.562 -9.832 1.00 12.13 H new ATOM 0 HB2 MET A 17 8.416 3.522 -6.953 1.00 4.12 H new ATOM 0 HB3 MET A 17 7.182 4.542 -7.665 1.00 4.12 H new ATOM 0 HG2 MET A 17 6.548 2.823 -9.238 1.00 73.42 H new ATOM 0 HG3 MET A 17 7.932 1.835 -8.813 1.00 73.42 H new ATOM 0 HE1 MET A 17 4.703 2.627 -5.546 1.00 52.04 H new ATOM 0 HE2 MET A 17 6.143 3.648 -5.773 1.00 52.04 H new ATOM 0 HE3 MET A 17 4.849 3.650 -6.994 1.00 52.04 H new ATOM 266 N LYS A 18 10.646 5.658 -7.623 1.00 54.33 N ATOM 267 CA LYS A 18 11.241 6.837 -6.970 1.00 21.53 C ATOM 268 C LYS A 18 11.724 7.886 -8.010 1.00 14.03 C ATOM 269 O LYS A 18 12.588 7.603 -8.846 1.00 3.42 O ATOM 270 CB LYS A 18 12.397 6.377 -6.049 1.00 3.25 C ATOM 271 CG LYS A 18 13.130 7.520 -5.319 1.00 21.31 C ATOM 272 CD LYS A 18 14.218 7.015 -4.345 1.00 72.44 C ATOM 273 CE LYS A 18 13.631 6.294 -3.124 1.00 63.03 C ATOM 274 NZ LYS A 18 14.687 5.836 -2.185 1.00 71.31 N ATOM 0 H LYS A 18 11.193 4.805 -7.506 1.00 54.33 H new ATOM 0 HA LYS A 18 10.479 7.330 -6.367 1.00 21.53 H new ATOM 0 HB2 LYS A 18 11.999 5.686 -5.306 1.00 3.25 H new ATOM 0 HB3 LYS A 18 13.121 5.822 -6.646 1.00 3.25 H new ATOM 0 HG2 LYS A 18 13.588 8.180 -6.056 1.00 21.31 H new ATOM 0 HG3 LYS A 18 12.403 8.115 -4.766 1.00 21.31 H new ATOM 0 HD2 LYS A 18 14.888 6.338 -4.875 1.00 72.44 H new ATOM 0 HD3 LYS A 18 14.819 7.860 -4.009 1.00 72.44 H new ATOM 0 HE2 LYS A 18 12.948 6.964 -2.602 1.00 63.03 H new ATOM 0 HE3 LYS A 18 13.045 5.437 -3.456 1.00 63.03 H new ATOM 0 HZ1 LYS A 18 14.246 5.355 -1.375 1.00 71.31 H new ATOM 0 HZ2 LYS A 18 15.325 5.177 -2.675 1.00 71.31 H new ATOM 0 HZ3 LYS A 18 15.230 6.656 -1.847 1.00 71.31 H new ATOM 288 N GLY A 19 11.144 9.096 -7.933 1.00 52.12 N ATOM 289 CA GLY A 19 11.459 10.203 -8.853 1.00 34.21 C ATOM 290 C GLY A 19 10.541 10.264 -10.089 1.00 23.43 C ATOM 291 O GLY A 19 10.729 11.121 -10.956 1.00 64.34 O ATOM 0 H GLY A 19 10.443 9.334 -7.231 1.00 52.12 H new ATOM 0 HA2 GLY A 19 11.386 11.146 -8.311 1.00 34.21 H new ATOM 0 HA3 GLY A 19 12.493 10.105 -9.184 1.00 34.21 H new ATOM 295 N ALA A 20 9.548 9.351 -10.168 1.00 72.21 N ATOM 296 CA ALA A 20 8.630 9.237 -11.337 1.00 63.52 C ATOM 297 C ALA A 20 7.432 10.221 -11.259 1.00 44.03 C ATOM 298 O ALA A 20 7.050 10.676 -10.175 1.00 21.54 O ATOM 299 CB ALA A 20 8.120 7.786 -11.463 1.00 64.11 C ATOM 0 H ALA A 20 9.356 8.673 -9.431 1.00 72.21 H new ATOM 0 HA ALA A 20 9.203 9.508 -12.224 1.00 63.52 H new ATOM 0 HB1 ALA A 20 7.450 7.709 -12.319 1.00 64.11 H new ATOM 0 HB2 ALA A 20 8.966 7.114 -11.603 1.00 64.11 H new ATOM 0 HB3 ALA A 20 7.583 7.509 -10.556 1.00 64.11 H new ATOM 305 N GLU A 21 6.849 10.536 -12.435 1.00 0.31 N ATOM 306 CA GLU A 21 5.639 11.385 -12.543 1.00 41.42 C ATOM 307 C GLU A 21 4.352 10.554 -12.332 1.00 72.03 C ATOM 308 O GLU A 21 4.028 9.687 -13.147 1.00 45.43 O ATOM 309 CB GLU A 21 5.575 12.096 -13.925 1.00 11.42 C ATOM 310 CG GLU A 21 6.699 13.121 -14.195 1.00 44.25 C ATOM 311 CD GLU A 21 8.082 12.507 -14.494 1.00 75.54 C ATOM 312 OE1 GLU A 21 8.285 12.016 -15.628 1.00 55.22 O ATOM 313 OE2 GLU A 21 8.973 12.538 -13.618 1.00 74.43 O ATOM 0 H GLU A 21 7.201 10.211 -13.335 1.00 0.31 H new ATOM 0 HA GLU A 21 5.705 12.139 -11.759 1.00 41.42 H new ATOM 0 HB2 GLU A 21 5.603 11.337 -14.707 1.00 11.42 H new ATOM 0 HB3 GLU A 21 4.615 12.605 -14.009 1.00 11.42 H new ATOM 0 HG2 GLU A 21 6.405 13.746 -15.038 1.00 44.25 H new ATOM 0 HG3 GLU A 21 6.789 13.776 -13.329 1.00 44.25 H new ATOM 320 N ALA A 22 3.627 10.842 -11.240 1.00 31.34 N ATOM 321 CA ALA A 22 2.361 10.159 -10.886 1.00 35.44 C ATOM 322 C ALA A 22 1.133 11.066 -11.118 1.00 13.10 C ATOM 323 O ALA A 22 1.219 12.295 -11.016 1.00 21.03 O ATOM 324 CB ALA A 22 2.411 9.694 -9.424 1.00 25.23 C ATOM 0 H ALA A 22 3.900 11.560 -10.569 1.00 31.34 H new ATOM 0 HA ALA A 22 2.254 9.293 -11.540 1.00 35.44 H new ATOM 0 HB1 ALA A 22 1.477 9.193 -9.170 1.00 25.23 H new ATOM 0 HB2 ALA A 22 3.243 9.002 -9.290 1.00 25.23 H new ATOM 0 HB3 ALA A 22 2.549 10.557 -8.772 1.00 25.23 H new ATOM 330 N THR A 23 -0.013 10.442 -11.426 1.00 31.25 N ATOM 331 CA THR A 23 -1.303 11.145 -11.625 1.00 61.40 C ATOM 332 C THR A 23 -2.360 10.534 -10.676 1.00 21.25 C ATOM 333 O THR A 23 -2.639 9.337 -10.755 1.00 44.11 O ATOM 334 CB THR A 23 -1.806 11.035 -13.113 1.00 42.11 C ATOM 335 OG1 THR A 23 -0.741 11.364 -14.021 1.00 71.24 O ATOM 336 CG2 THR A 23 -3.006 11.964 -13.394 1.00 50.21 C ATOM 0 H THR A 23 -0.079 9.431 -11.546 1.00 31.25 H new ATOM 0 HA THR A 23 -1.154 12.202 -11.403 1.00 61.40 H new ATOM 0 HB THR A 23 -2.129 10.005 -13.263 1.00 42.11 H new ATOM 0 HG1 THR A 23 -1.063 11.291 -14.944 1.00 71.24 H new ATOM 0 HG21 THR A 23 -3.317 11.853 -14.433 1.00 50.21 H new ATOM 0 HG22 THR A 23 -3.834 11.698 -12.737 1.00 50.21 H new ATOM 0 HG23 THR A 23 -2.716 12.999 -13.211 1.00 50.21 H new ATOM 344 N VAL A 24 -2.949 11.357 -9.790 1.00 0.33 N ATOM 345 CA VAL A 24 -3.942 10.888 -8.795 1.00 60.21 C ATOM 346 C VAL A 24 -5.285 10.560 -9.491 1.00 31.04 C ATOM 347 O VAL A 24 -6.000 11.452 -9.933 1.00 13.44 O ATOM 348 CB VAL A 24 -4.144 11.952 -7.650 1.00 14.21 C ATOM 349 CG1 VAL A 24 -5.244 11.530 -6.637 1.00 71.42 C ATOM 350 CG2 VAL A 24 -2.795 12.235 -6.932 1.00 51.43 C ATOM 0 H VAL A 24 -2.756 12.357 -9.740 1.00 0.33 H new ATOM 0 HA VAL A 24 -3.561 9.977 -8.334 1.00 60.21 H new ATOM 0 HB VAL A 24 -4.491 12.874 -8.117 1.00 14.21 H new ATOM 0 HG11 VAL A 24 -5.344 12.296 -5.868 1.00 71.42 H new ATOM 0 HG12 VAL A 24 -6.194 11.413 -7.159 1.00 71.42 H new ATOM 0 HG13 VAL A 24 -4.967 10.584 -6.172 1.00 71.42 H new ATOM 0 HG21 VAL A 24 -2.950 12.972 -6.144 1.00 51.43 H new ATOM 0 HG22 VAL A 24 -2.414 11.311 -6.496 1.00 51.43 H new ATOM 0 HG23 VAL A 24 -2.073 12.621 -7.652 1.00 51.43 H new ATOM 360 N THR A 25 -5.587 9.261 -9.626 1.00 41.11 N ATOM 361 CA THR A 25 -6.829 8.775 -10.280 1.00 24.23 C ATOM 362 C THR A 25 -7.918 8.397 -9.244 1.00 31.31 C ATOM 363 O THR A 25 -9.076 8.185 -9.616 1.00 21.22 O ATOM 364 CB THR A 25 -6.530 7.552 -11.211 1.00 51.45 C ATOM 365 OG1 THR A 25 -5.927 6.484 -10.453 1.00 53.33 O ATOM 366 CG2 THR A 25 -5.601 7.942 -12.376 1.00 60.54 C ATOM 0 H THR A 25 -4.983 8.511 -9.288 1.00 41.11 H new ATOM 0 HA THR A 25 -7.211 9.597 -10.886 1.00 24.23 H new ATOM 0 HB THR A 25 -7.480 7.216 -11.627 1.00 51.45 H new ATOM 0 HG1 THR A 25 -5.718 6.802 -9.550 1.00 53.33 H new ATOM 0 HG21 THR A 25 -5.415 7.069 -13.001 1.00 60.54 H new ATOM 0 HG22 THR A 25 -6.074 8.722 -12.973 1.00 60.54 H new ATOM 0 HG23 THR A 25 -4.656 8.312 -11.979 1.00 60.54 H new ATOM 374 N GLY A 26 -7.541 8.325 -7.948 1.00 51.21 N ATOM 375 CA GLY A 26 -8.488 8.027 -6.861 1.00 55.42 C ATOM 376 C GLY A 26 -7.989 8.537 -5.501 1.00 24.45 C ATOM 377 O GLY A 26 -6.783 8.519 -5.241 1.00 73.12 O ATOM 0 H GLY A 26 -6.582 8.471 -7.633 1.00 51.21 H new ATOM 0 HA2 GLY A 26 -9.452 8.483 -7.086 1.00 55.42 H new ATOM 0 HA3 GLY A 26 -8.649 6.950 -6.807 1.00 55.42 H new ATOM 381 N ALA A 27 -8.919 8.989 -4.635 1.00 23.12 N ATOM 382 CA ALA A 27 -8.603 9.533 -3.287 1.00 55.02 C ATOM 383 C ALA A 27 -9.487 8.856 -2.207 1.00 73.13 C ATOM 384 O ALA A 27 -10.720 8.904 -2.289 1.00 3.14 O ATOM 385 CB ALA A 27 -8.798 11.065 -3.279 1.00 72.42 C ATOM 0 H ALA A 27 -9.917 8.989 -4.847 1.00 23.12 H new ATOM 0 HA ALA A 27 -7.561 9.315 -3.052 1.00 55.02 H new ATOM 0 HB1 ALA A 27 -8.565 11.456 -2.289 1.00 72.42 H new ATOM 0 HB2 ALA A 27 -8.135 11.520 -4.014 1.00 72.42 H new ATOM 0 HB3 ALA A 27 -9.832 11.301 -3.528 1.00 72.42 H new ATOM 391 N TYR A 28 -8.848 8.212 -1.206 1.00 22.41 N ATOM 392 CA TYR A 28 -9.548 7.433 -0.145 1.00 3.13 C ATOM 393 C TYR A 28 -9.138 7.917 1.271 1.00 0.41 C ATOM 394 O TYR A 28 -7.951 7.954 1.598 1.00 71.24 O ATOM 395 CB TYR A 28 -9.222 5.917 -0.281 1.00 1.42 C ATOM 396 CG TYR A 28 -9.769 5.214 -1.541 1.00 23.45 C ATOM 397 CD1 TYR A 28 -9.243 5.478 -2.811 1.00 65.43 C ATOM 398 CD2 TYR A 28 -10.798 4.266 -1.456 1.00 55.41 C ATOM 399 CE1 TYR A 28 -9.713 4.822 -3.940 1.00 44.23 C ATOM 400 CE2 TYR A 28 -11.271 3.612 -2.581 1.00 61.34 C ATOM 401 CZ TYR A 28 -10.733 3.896 -3.820 1.00 24.05 C ATOM 402 OH TYR A 28 -11.200 3.234 -4.943 1.00 14.54 O ATOM 0 H TYR A 28 -7.833 8.214 -1.105 1.00 22.41 H new ATOM 0 HA TYR A 28 -10.619 7.591 -0.274 1.00 3.13 H new ATOM 0 HB2 TYR A 28 -8.139 5.796 -0.264 1.00 1.42 H new ATOM 0 HB3 TYR A 28 -9.614 5.402 0.596 1.00 1.42 H new ATOM 0 HD1 TYR A 28 -8.454 6.208 -2.915 1.00 65.43 H new ATOM 0 HD2 TYR A 28 -11.231 4.041 -0.493 1.00 55.41 H new ATOM 0 HE1 TYR A 28 -9.284 5.034 -4.908 1.00 44.23 H new ATOM 0 HE2 TYR A 28 -12.060 2.880 -2.489 1.00 61.34 H new ATOM 0 HH TYR A 28 -11.916 2.617 -4.685 1.00 14.54 H new ATOM 412 N ASP A 29 -10.132 8.269 2.107 1.00 53.30 N ATOM 413 CA ASP A 29 -9.914 8.669 3.521 1.00 22.24 C ATOM 414 C ASP A 29 -10.372 7.534 4.481 1.00 60.33 C ATOM 415 O ASP A 29 -11.470 7.553 5.049 1.00 54.24 O ATOM 416 CB ASP A 29 -10.629 10.024 3.808 1.00 71.32 C ATOM 417 CG ASP A 29 -12.137 10.010 3.481 1.00 3.24 C ATOM 418 OD1 ASP A 29 -12.493 9.980 2.285 1.00 33.02 O ATOM 419 OD2 ASP A 29 -12.973 9.992 4.413 1.00 75.30 O ATOM 0 H ASP A 29 -11.113 8.286 1.827 1.00 53.30 H new ATOM 0 HA ASP A 29 -8.850 8.822 3.699 1.00 22.24 H new ATOM 0 HB2 ASP A 29 -10.496 10.279 4.859 1.00 71.32 H new ATOM 0 HB3 ASP A 29 -10.147 10.810 3.226 1.00 71.32 H new ATOM 424 N THR A 30 -9.516 6.509 4.622 1.00 40.43 N ATOM 425 CA THR A 30 -9.843 5.273 5.385 1.00 51.54 C ATOM 426 C THR A 30 -8.683 4.847 6.317 1.00 21.04 C ATOM 427 O THR A 30 -7.602 5.449 6.301 1.00 13.41 O ATOM 428 CB THR A 30 -10.208 4.108 4.397 1.00 53.30 C ATOM 429 OG1 THR A 30 -10.561 2.909 5.118 1.00 45.24 O ATOM 430 CG2 THR A 30 -9.059 3.808 3.415 1.00 3.13 C ATOM 0 H THR A 30 -8.580 6.504 4.216 1.00 40.43 H new ATOM 0 HA THR A 30 -10.705 5.492 6.016 1.00 51.54 H new ATOM 0 HB THR A 30 -11.070 4.442 3.819 1.00 53.30 H new ATOM 0 HG1 THR A 30 -10.786 2.199 4.481 1.00 45.24 H new ATOM 0 HG21 THR A 30 -9.352 2.996 2.749 1.00 3.13 H new ATOM 0 HG22 THR A 30 -8.841 4.699 2.827 1.00 3.13 H new ATOM 0 HG23 THR A 30 -8.170 3.516 3.974 1.00 3.13 H new ATOM 438 N THR A 31 -8.918 3.798 7.134 1.00 72.44 N ATOM 439 CA THR A 31 -7.888 3.233 8.038 1.00 21.44 C ATOM 440 C THR A 31 -6.912 2.319 7.255 1.00 33.13 C ATOM 441 O THR A 31 -7.336 1.368 6.583 1.00 24.55 O ATOM 442 CB THR A 31 -8.525 2.414 9.219 1.00 50.00 C ATOM 443 OG1 THR A 31 -9.520 3.208 9.888 1.00 43.52 O ATOM 444 CG2 THR A 31 -7.472 1.952 10.258 1.00 62.53 C ATOM 0 H THR A 31 -9.818 3.321 7.187 1.00 72.44 H new ATOM 0 HA THR A 31 -7.344 4.078 8.459 1.00 21.44 H new ATOM 0 HB THR A 31 -8.976 1.525 8.778 1.00 50.00 H new ATOM 0 HG1 THR A 31 -9.913 2.690 10.621 1.00 43.52 H new ATOM 0 HG21 THR A 31 -7.966 1.391 11.052 1.00 62.53 H new ATOM 0 HG22 THR A 31 -6.734 1.316 9.770 1.00 62.53 H new ATOM 0 HG23 THR A 31 -6.975 2.823 10.685 1.00 62.53 H new ATOM 452 N ALA A 32 -5.612 2.624 7.365 1.00 25.33 N ATOM 453 CA ALA A 32 -4.514 1.810 6.812 1.00 0.33 C ATOM 454 C ALA A 32 -3.892 0.959 7.943 1.00 35.11 C ATOM 455 O ALA A 32 -4.120 1.227 9.130 1.00 43.25 O ATOM 456 CB ALA A 32 -3.454 2.715 6.152 1.00 4.55 C ATOM 0 H ALA A 32 -5.285 3.459 7.850 1.00 25.33 H new ATOM 0 HA ALA A 32 -4.905 1.143 6.043 1.00 0.33 H new ATOM 0 HB1 ALA A 32 -2.650 2.099 5.749 1.00 4.55 H new ATOM 0 HB2 ALA A 32 -3.914 3.285 5.345 1.00 4.55 H new ATOM 0 HB3 ALA A 32 -3.048 3.401 6.895 1.00 4.55 H new ATOM 462 N TYR A 33 -3.122 -0.077 7.586 1.00 34.21 N ATOM 463 CA TYR A 33 -2.489 -0.982 8.575 1.00 60.22 C ATOM 464 C TYR A 33 -1.011 -1.240 8.228 1.00 42.24 C ATOM 465 O TYR A 33 -0.641 -1.407 7.062 1.00 22.52 O ATOM 466 CB TYR A 33 -3.272 -2.325 8.680 1.00 63.15 C ATOM 467 CG TYR A 33 -4.717 -2.146 9.178 1.00 45.41 C ATOM 468 CD1 TYR A 33 -4.974 -1.816 10.511 1.00 1.22 C ATOM 469 CD2 TYR A 33 -5.811 -2.263 8.318 1.00 15.21 C ATOM 470 CE1 TYR A 33 -6.263 -1.613 10.960 1.00 61.31 C ATOM 471 CE2 TYR A 33 -7.101 -2.069 8.774 1.00 61.35 C ATOM 472 CZ TYR A 33 -7.321 -1.742 10.090 1.00 53.03 C ATOM 473 OH TYR A 33 -8.609 -1.534 10.540 1.00 10.53 O ATOM 0 H TYR A 33 -2.917 -0.316 6.616 1.00 34.21 H new ATOM 0 HA TYR A 33 -2.525 -0.489 9.546 1.00 60.22 H new ATOM 0 HB2 TYR A 33 -3.288 -2.806 7.702 1.00 63.15 H new ATOM 0 HB3 TYR A 33 -2.742 -2.996 9.356 1.00 63.15 H new ATOM 0 HD1 TYR A 33 -4.150 -1.718 11.202 1.00 1.22 H new ATOM 0 HD2 TYR A 33 -5.646 -2.509 7.279 1.00 15.21 H new ATOM 0 HE1 TYR A 33 -6.441 -1.353 11.993 1.00 61.31 H new ATOM 0 HE2 TYR A 33 -7.935 -2.174 8.096 1.00 61.35 H new ATOM 0 HH TYR A 33 -9.239 -1.663 9.800 1.00 10.53 H new ATOM 483 N VAL A 34 -0.169 -1.227 9.269 1.00 2.05 N ATOM 484 CA VAL A 34 1.244 -1.612 9.177 1.00 74.35 C ATOM 485 C VAL A 34 1.368 -3.064 9.679 1.00 40.51 C ATOM 486 O VAL A 34 1.213 -3.323 10.878 1.00 50.45 O ATOM 487 CB VAL A 34 2.144 -0.643 10.037 1.00 11.14 C ATOM 488 CG1 VAL A 34 3.648 -0.980 9.882 1.00 42.04 C ATOM 489 CG2 VAL A 34 1.860 0.842 9.680 1.00 14.01 C ATOM 0 H VAL A 34 -0.453 -0.946 10.208 1.00 2.05 H new ATOM 0 HA VAL A 34 1.589 -1.540 8.145 1.00 74.35 H new ATOM 0 HB VAL A 34 1.883 -0.792 11.085 1.00 11.14 H new ATOM 0 HG11 VAL A 34 4.239 -0.293 10.488 1.00 42.04 H new ATOM 0 HG12 VAL A 34 3.828 -2.003 10.213 1.00 42.04 H new ATOM 0 HG13 VAL A 34 3.937 -0.882 8.836 1.00 42.04 H new ATOM 0 HG21 VAL A 34 2.493 1.490 10.287 1.00 14.01 H new ATOM 0 HG22 VAL A 34 2.075 1.010 8.625 1.00 14.01 H new ATOM 0 HG23 VAL A 34 0.813 1.070 9.878 1.00 14.01 H new ATOM 499 N VAL A 35 1.605 -4.016 8.750 1.00 22.03 N ATOM 500 CA VAL A 35 1.614 -5.467 9.071 1.00 64.41 C ATOM 501 C VAL A 35 2.978 -6.121 8.761 1.00 15.11 C ATOM 502 O VAL A 35 3.658 -5.758 7.802 1.00 53.32 O ATOM 503 CB VAL A 35 0.466 -6.248 8.299 1.00 52.04 C ATOM 504 CG1 VAL A 35 -0.933 -5.718 8.694 1.00 54.43 C ATOM 505 CG2 VAL A 35 0.659 -6.197 6.756 1.00 73.00 C ATOM 0 H VAL A 35 1.793 -3.809 7.769 1.00 22.03 H new ATOM 0 HA VAL A 35 1.430 -5.540 10.143 1.00 64.41 H new ATOM 0 HB VAL A 35 0.535 -7.293 8.601 1.00 52.04 H new ATOM 0 HG11 VAL A 35 -1.699 -6.271 8.150 1.00 54.43 H new ATOM 0 HG12 VAL A 35 -1.083 -5.850 9.766 1.00 54.43 H new ATOM 0 HG13 VAL A 35 -1.005 -4.659 8.445 1.00 54.43 H new ATOM 0 HG21 VAL A 35 -0.149 -6.744 6.270 1.00 73.00 H new ATOM 0 HG22 VAL A 35 0.647 -5.160 6.422 1.00 73.00 H new ATOM 0 HG23 VAL A 35 1.614 -6.652 6.494 1.00 73.00 H new ATOM 515 N SER A 36 3.361 -7.101 9.596 1.00 73.53 N ATOM 516 CA SER A 36 4.511 -8.004 9.338 1.00 15.34 C ATOM 517 C SER A 36 3.994 -9.438 9.165 1.00 50.11 C ATOM 518 O SER A 36 3.202 -9.915 9.985 1.00 14.42 O ATOM 519 CB SER A 36 5.548 -7.953 10.487 1.00 40.54 C ATOM 520 OG SER A 36 6.056 -6.649 10.672 1.00 74.22 O ATOM 0 H SER A 36 2.883 -7.296 10.476 1.00 73.53 H new ATOM 0 HA SER A 36 5.011 -7.671 8.429 1.00 15.34 H new ATOM 0 HB2 SER A 36 5.085 -8.298 11.411 1.00 40.54 H new ATOM 0 HB3 SER A 36 6.369 -8.636 10.268 1.00 40.54 H new ATOM 0 HG SER A 36 5.348 -6.069 11.023 1.00 74.22 H new ATOM 526 N TYR A 37 4.462 -10.133 8.119 1.00 21.04 N ATOM 527 CA TYR A 37 3.923 -11.454 7.740 1.00 74.42 C ATOM 528 C TYR A 37 4.983 -12.354 7.103 1.00 34.43 C ATOM 529 O TYR A 37 5.969 -11.877 6.531 1.00 45.14 O ATOM 530 CB TYR A 37 2.713 -11.311 6.769 1.00 64.02 C ATOM 531 CG TYR A 37 3.007 -10.642 5.416 1.00 32.43 C ATOM 532 CD1 TYR A 37 2.932 -9.257 5.268 1.00 24.54 C ATOM 533 CD2 TYR A 37 3.348 -11.395 4.284 1.00 3.14 C ATOM 534 CE1 TYR A 37 3.177 -8.656 4.054 1.00 43.40 C ATOM 535 CE2 TYR A 37 3.594 -10.790 3.067 1.00 44.41 C ATOM 536 CZ TYR A 37 3.511 -9.418 2.959 1.00 43.11 C ATOM 537 OH TYR A 37 3.758 -8.804 1.750 1.00 71.20 O ATOM 0 H TYR A 37 5.216 -9.804 7.516 1.00 21.04 H new ATOM 0 HA TYR A 37 3.590 -11.925 8.665 1.00 74.42 H new ATOM 0 HB2 TYR A 37 2.306 -12.304 6.579 1.00 64.02 H new ATOM 0 HB3 TYR A 37 1.934 -10.738 7.273 1.00 64.02 H new ATOM 0 HD1 TYR A 37 2.677 -8.645 6.121 1.00 24.54 H new ATOM 0 HD2 TYR A 37 3.420 -12.470 4.365 1.00 3.14 H new ATOM 0 HE1 TYR A 37 3.107 -7.582 3.961 1.00 43.40 H new ATOM 0 HE2 TYR A 37 3.850 -11.388 2.205 1.00 44.41 H new ATOM 0 HH TYR A 37 4.151 -7.920 1.906 1.00 71.20 H new ATOM 547 N THR A 38 4.727 -13.661 7.175 1.00 22.43 N ATOM 548 CA THR A 38 5.510 -14.675 6.461 1.00 52.32 C ATOM 549 C THR A 38 4.669 -15.183 5.273 1.00 61.54 C ATOM 550 O THR A 38 3.629 -15.817 5.502 1.00 73.14 O ATOM 551 CB THR A 38 5.896 -15.886 7.371 1.00 72.50 C ATOM 552 OG1 THR A 38 6.644 -15.430 8.510 1.00 73.52 O ATOM 553 CG2 THR A 38 6.714 -16.939 6.590 1.00 74.14 C ATOM 0 H THR A 38 3.967 -14.050 7.733 1.00 22.43 H new ATOM 0 HA THR A 38 6.440 -14.214 6.128 1.00 52.32 H new ATOM 0 HB THR A 38 4.974 -16.358 7.710 1.00 72.50 H new ATOM 0 HG1 THR A 38 6.879 -16.196 9.075 1.00 73.52 H new ATOM 0 HG21 THR A 38 6.966 -17.768 7.252 1.00 74.14 H new ATOM 0 HG22 THR A 38 6.124 -17.310 5.752 1.00 74.14 H new ATOM 0 HG23 THR A 38 7.630 -16.483 6.214 1.00 74.14 H new ATOM 561 N PRO A 39 5.073 -14.892 3.991 1.00 14.21 N ATOM 562 CA PRO A 39 4.381 -15.436 2.799 1.00 43.41 C ATOM 563 C PRO A 39 4.329 -16.987 2.833 1.00 73.45 C ATOM 564 O PRO A 39 5.371 -17.659 2.852 1.00 3.42 O ATOM 565 CB PRO A 39 5.192 -14.883 1.590 1.00 74.32 C ATOM 566 CG PRO A 39 6.480 -14.378 2.170 1.00 51.12 C ATOM 567 CD PRO A 39 6.195 -14.002 3.609 1.00 61.55 C ATOM 0 HA PRO A 39 3.336 -15.133 2.744 1.00 43.41 H new ATOM 0 HB2 PRO A 39 5.374 -15.662 0.850 1.00 74.32 H new ATOM 0 HB3 PRO A 39 4.649 -14.084 1.085 1.00 74.32 H new ATOM 0 HG2 PRO A 39 7.254 -15.143 2.117 1.00 51.12 H new ATOM 0 HG3 PRO A 39 6.844 -13.517 1.610 1.00 51.12 H new ATOM 0 HD2 PRO A 39 7.066 -14.161 4.244 1.00 61.55 H new ATOM 0 HD3 PRO A 39 5.921 -12.951 3.701 1.00 61.55 H new ATOM 575 N THR A 40 3.090 -17.531 2.856 1.00 40.05 N ATOM 576 CA THR A 40 2.809 -18.979 3.095 1.00 25.40 C ATOM 577 C THR A 40 3.446 -19.919 2.033 1.00 74.34 C ATOM 578 O THR A 40 3.550 -21.130 2.244 1.00 42.51 O ATOM 579 CB THR A 40 1.262 -19.244 3.173 1.00 5.54 C ATOM 580 OG1 THR A 40 1.008 -20.623 3.508 1.00 71.25 O ATOM 581 CG2 THR A 40 0.539 -18.884 1.859 1.00 61.02 C ATOM 0 H THR A 40 2.245 -16.978 2.709 1.00 40.05 H new ATOM 0 HA THR A 40 3.275 -19.215 4.052 1.00 25.40 H new ATOM 0 HB THR A 40 0.865 -18.596 3.955 1.00 5.54 H new ATOM 0 HG1 THR A 40 1.815 -21.154 3.342 1.00 71.25 H new ATOM 0 HG21 THR A 40 -0.527 -19.085 1.964 1.00 61.02 H new ATOM 0 HG22 THR A 40 0.689 -17.827 1.639 1.00 61.02 H new ATOM 0 HG23 THR A 40 0.943 -19.485 1.045 1.00 61.02 H new ATOM 589 N ASN A 41 3.894 -19.335 0.909 1.00 52.01 N ATOM 590 CA ASN A 41 4.569 -20.068 -0.188 1.00 4.05 C ATOM 591 C ASN A 41 6.095 -20.280 0.102 1.00 73.21 C ATOM 592 O ASN A 41 6.854 -20.712 -0.779 1.00 50.32 O ATOM 593 CB ASN A 41 4.343 -19.281 -1.507 1.00 52.22 C ATOM 594 CG ASN A 41 4.628 -20.055 -2.801 1.00 75.43 C ATOM 595 OD1 ASN A 41 5.046 -19.477 -3.795 1.00 52.05 O ATOM 596 ND2 ASN A 41 4.371 -21.354 -2.821 1.00 5.42 N ATOM 0 H ASN A 41 3.800 -18.335 0.730 1.00 52.01 H new ATOM 0 HA ASN A 41 4.140 -21.066 -0.275 1.00 4.05 H new ATOM 0 HB2 ASN A 41 3.309 -18.938 -1.531 1.00 52.22 H new ATOM 0 HB3 ASN A 41 4.974 -18.392 -1.491 1.00 52.22 H new ATOM 0 HD21 ASN A 41 4.521 -21.890 -3.675 1.00 5.42 H new ATOM 0 HD22 ASN A 41 4.023 -21.818 -1.982 1.00 5.42 H new ATOM 603 N GLY A 42 6.525 -19.992 1.351 1.00 5.14 N ATOM 604 CA GLY A 42 7.920 -20.202 1.783 1.00 2.13 C ATOM 605 C GLY A 42 8.874 -19.095 1.336 1.00 44.12 C ATOM 606 O GLY A 42 9.971 -19.369 0.840 1.00 31.21 O ATOM 0 H GLY A 42 5.920 -19.612 2.079 1.00 5.14 H new ATOM 0 HA2 GLY A 42 7.947 -20.276 2.870 1.00 2.13 H new ATOM 0 HA3 GLY A 42 8.273 -21.155 1.390 1.00 2.13 H new ATOM 610 N GLY A 43 8.455 -17.837 1.539 1.00 40.02 N ATOM 611 CA GLY A 43 9.236 -16.660 1.113 1.00 64.30 C ATOM 612 C GLY A 43 9.848 -15.877 2.279 1.00 63.25 C ATOM 613 O GLY A 43 9.694 -16.258 3.445 1.00 31.41 O ATOM 0 H GLY A 43 7.574 -17.605 1.998 1.00 40.02 H new ATOM 0 HA2 GLY A 43 10.034 -16.986 0.446 1.00 64.30 H new ATOM 0 HA3 GLY A 43 8.592 -15.995 0.538 1.00 64.30 H new ATOM 617 N GLN A 44 10.538 -14.764 1.956 1.00 33.32 N ATOM 618 CA GLN A 44 11.136 -13.861 2.973 1.00 71.03 C ATOM 619 C GLN A 44 10.038 -13.181 3.824 1.00 14.34 C ATOM 620 O GLN A 44 9.152 -12.522 3.264 1.00 51.02 O ATOM 621 CB GLN A 44 12.008 -12.760 2.294 1.00 50.52 C ATOM 622 CG GLN A 44 13.136 -13.273 1.376 1.00 61.54 C ATOM 623 CD GLN A 44 14.107 -14.227 2.075 1.00 53.30 C ATOM 624 OE1 GLN A 44 13.939 -15.442 2.045 1.00 24.23 O ATOM 625 NE2 GLN A 44 15.107 -13.683 2.741 1.00 32.23 N ATOM 0 H GLN A 44 10.698 -14.464 0.994 1.00 33.32 H new ATOM 0 HA GLN A 44 11.765 -14.472 3.620 1.00 71.03 H new ATOM 0 HB2 GLN A 44 11.354 -12.114 1.709 1.00 50.52 H new ATOM 0 HB3 GLN A 44 12.452 -12.142 3.074 1.00 50.52 H new ATOM 0 HG2 GLN A 44 12.693 -13.781 0.519 1.00 61.54 H new ATOM 0 HG3 GLN A 44 13.693 -12.421 0.988 1.00 61.54 H new ATOM 0 HE21 GLN A 44 15.223 -12.670 2.749 1.00 32.23 H new ATOM 0 HE22 GLN A 44 15.764 -14.276 3.248 1.00 32.23 H new ATOM 634 N ARG A 45 10.087 -13.366 5.163 1.00 21.31 N ATOM 635 CA ARG A 45 9.186 -12.653 6.095 1.00 65.15 C ATOM 636 C ARG A 45 9.359 -11.123 5.955 1.00 13.31 C ATOM 637 O ARG A 45 10.437 -10.577 6.220 1.00 51.23 O ATOM 638 CB ARG A 45 9.430 -13.080 7.568 1.00 4.22 C ATOM 639 CG ARG A 45 8.519 -12.351 8.595 1.00 15.43 C ATOM 640 CD ARG A 45 8.788 -12.750 10.056 1.00 73.54 C ATOM 641 NE ARG A 45 8.556 -14.191 10.286 1.00 44.30 N ATOM 642 CZ ARG A 45 8.469 -14.791 11.455 1.00 31.54 C ATOM 643 NH1 ARG A 45 8.621 -14.148 12.573 1.00 72.15 N ATOM 644 NH2 ARG A 45 8.233 -16.057 11.499 1.00 2.32 N ATOM 0 H ARG A 45 10.740 -14.002 5.621 1.00 21.31 H new ATOM 0 HA ARG A 45 8.164 -12.924 5.830 1.00 65.15 H new ATOM 0 HB2 ARG A 45 9.271 -14.155 7.655 1.00 4.22 H new ATOM 0 HB3 ARG A 45 10.473 -12.890 7.823 1.00 4.22 H new ATOM 0 HG2 ARG A 45 8.658 -11.275 8.490 1.00 15.43 H new ATOM 0 HG3 ARG A 45 7.477 -12.562 8.356 1.00 15.43 H new ATOM 0 HD2 ARG A 45 9.817 -12.502 10.316 1.00 73.54 H new ATOM 0 HD3 ARG A 45 8.143 -12.169 10.715 1.00 73.54 H new ATOM 0 HE ARG A 45 8.453 -14.778 9.458 1.00 44.30 H new ATOM 0 HH11 ARG A 45 8.814 -13.147 12.563 1.00 72.15 H new ATOM 0 HH12 ARG A 45 8.547 -14.644 13.461 1.00 72.15 H new ATOM 0 HH21 ARG A 45 8.116 -16.584 10.634 1.00 2.32 H new ATOM 0 HH22 ARG A 45 8.164 -16.532 12.399 1.00 2.32 H new ATOM 658 N VAL A 46 8.292 -10.458 5.504 1.00 25.41 N ATOM 659 CA VAL A 46 8.289 -9.006 5.277 1.00 21.21 C ATOM 660 C VAL A 46 7.928 -8.259 6.578 1.00 24.24 C ATOM 661 O VAL A 46 6.849 -8.471 7.137 1.00 62.44 O ATOM 662 CB VAL A 46 7.275 -8.615 4.144 1.00 30.10 C ATOM 663 CG1 VAL A 46 7.323 -7.096 3.840 1.00 21.14 C ATOM 664 CG2 VAL A 46 7.528 -9.456 2.870 1.00 14.42 C ATOM 0 H VAL A 46 7.404 -10.909 5.285 1.00 25.41 H new ATOM 0 HA VAL A 46 9.291 -8.715 4.962 1.00 21.21 H new ATOM 0 HB VAL A 46 6.270 -8.839 4.500 1.00 30.10 H new ATOM 0 HG11 VAL A 46 6.609 -6.860 3.051 1.00 21.14 H new ATOM 0 HG12 VAL A 46 7.068 -6.537 4.740 1.00 21.14 H new ATOM 0 HG13 VAL A 46 8.327 -6.822 3.515 1.00 21.14 H new ATOM 0 HG21 VAL A 46 6.815 -9.169 2.097 1.00 14.42 H new ATOM 0 HG22 VAL A 46 8.542 -9.278 2.512 1.00 14.42 H new ATOM 0 HG23 VAL A 46 7.406 -10.514 3.102 1.00 14.42 H new ATOM 674 N ASP A 47 8.842 -7.396 7.045 1.00 5.13 N ATOM 675 CA ASP A 47 8.640 -6.578 8.254 1.00 4.33 C ATOM 676 C ASP A 47 8.048 -5.195 7.858 1.00 33.25 C ATOM 677 O ASP A 47 8.665 -4.453 7.081 1.00 54.31 O ATOM 678 CB ASP A 47 9.986 -6.402 9.003 1.00 10.15 C ATOM 679 CG ASP A 47 9.870 -5.538 10.277 1.00 21.31 C ATOM 680 OD1 ASP A 47 9.434 -6.056 11.323 1.00 3.23 O ATOM 681 OD2 ASP A 47 10.210 -4.334 10.237 1.00 44.14 O ATOM 0 H ASP A 47 9.745 -7.244 6.595 1.00 5.13 H new ATOM 0 HA ASP A 47 7.938 -7.081 8.919 1.00 4.33 H new ATOM 0 HB2 ASP A 47 10.374 -7.384 9.273 1.00 10.15 H new ATOM 0 HB3 ASP A 47 10.712 -5.947 8.329 1.00 10.15 H new ATOM 686 N HIS A 48 6.854 -4.881 8.399 1.00 72.15 N ATOM 687 CA HIS A 48 6.163 -3.572 8.223 1.00 11.15 C ATOM 688 C HIS A 48 5.878 -3.225 6.729 1.00 34.54 C ATOM 689 O HIS A 48 6.266 -2.159 6.230 1.00 75.02 O ATOM 690 CB HIS A 48 6.949 -2.433 8.941 1.00 34.11 C ATOM 691 CG HIS A 48 7.008 -2.564 10.447 1.00 61.52 C ATOM 692 ND1 HIS A 48 6.949 -3.649 11.253 1.00 40.10 N flip ATOM 693 CD2 HIS A 48 7.137 -1.483 11.294 1.00 3.01 C flip ATOM 694 CE1 HIS A 48 7.042 -3.208 12.544 1.00 2.01 C flip ATOM 695 NE2 HIS A 48 7.153 -1.901 12.543 1.00 35.50 N flip ATOM 0 H HIS A 48 6.329 -5.534 8.980 1.00 72.15 H new ATOM 0 HA HIS A 48 5.185 -3.665 8.695 1.00 11.15 H new ATOM 0 HB2 HIS A 48 7.967 -2.409 8.551 1.00 34.11 H new ATOM 0 HB3 HIS A 48 6.489 -1.477 8.690 1.00 34.11 H new ATOM 0 HD1 HIS A 48 6.853 -4.619 10.953 1.00 40.10 H new ATOM 0 HD2 HIS A 48 7.213 -0.452 10.981 1.00 3.01 H new ATOM 0 HE1 HIS A 48 7.027 -3.835 13.423 1.00 2.01 H new ATOM 704 N HIS A 49 5.192 -4.151 6.037 1.00 41.20 N ATOM 705 CA HIS A 49 4.779 -3.993 4.621 1.00 3.04 C ATOM 706 C HIS A 49 3.761 -2.847 4.443 1.00 44.13 C ATOM 707 O HIS A 49 2.765 -2.766 5.175 1.00 74.42 O ATOM 708 CB HIS A 49 4.169 -5.314 4.098 1.00 32.03 C ATOM 709 CG HIS A 49 3.894 -5.340 2.606 1.00 63.32 C ATOM 710 ND1 HIS A 49 4.832 -5.808 1.717 1.00 22.12 N ATOM 711 CD2 HIS A 49 2.791 -4.955 1.909 1.00 61.41 C ATOM 712 CE1 HIS A 49 4.291 -5.701 0.518 1.00 71.50 C ATOM 713 NE2 HIS A 49 3.057 -5.191 0.587 1.00 14.31 N ATOM 0 H HIS A 49 4.903 -5.041 6.444 1.00 41.20 H new ATOM 0 HA HIS A 49 5.670 -3.742 4.046 1.00 3.04 H new ATOM 0 HB2 HIS A 49 4.846 -6.133 4.343 1.00 32.03 H new ATOM 0 HB3 HIS A 49 3.236 -5.502 4.629 1.00 32.03 H new ATOM 0 HD2 HIS A 49 1.881 -4.543 2.319 1.00 61.41 H new ATOM 0 HE1 HIS A 49 4.782 -5.988 -0.400 1.00 71.50 H new ATOM 0 HE2 HIS A 49 2.431 -5.011 -0.198 1.00 14.31 H new ATOM 721 N LYS A 50 4.013 -1.981 3.452 1.00 24.20 N ATOM 722 CA LYS A 50 3.148 -0.832 3.129 1.00 44.41 C ATOM 723 C LYS A 50 2.963 -0.699 1.584 1.00 15.33 C ATOM 724 O LYS A 50 3.853 -1.082 0.821 1.00 3.13 O ATOM 725 CB LYS A 50 3.767 0.474 3.698 1.00 30.52 C ATOM 726 CG LYS A 50 3.843 0.565 5.238 1.00 5.34 C ATOM 727 CD LYS A 50 4.505 1.879 5.696 1.00 43.30 C ATOM 728 CE LYS A 50 4.523 2.057 7.221 1.00 51.11 C ATOM 729 NZ LYS A 50 5.126 3.358 7.606 1.00 25.31 N ATOM 0 H LYS A 50 4.829 -2.057 2.845 1.00 24.20 H new ATOM 0 HA LYS A 50 2.171 -0.997 3.584 1.00 44.41 H new ATOM 0 HB2 LYS A 50 4.774 0.582 3.296 1.00 30.52 H new ATOM 0 HB3 LYS A 50 3.185 1.320 3.331 1.00 30.52 H new ATOM 0 HG2 LYS A 50 2.839 0.497 5.657 1.00 5.34 H new ATOM 0 HG3 LYS A 50 4.408 -0.282 5.626 1.00 5.34 H new ATOM 0 HD2 LYS A 50 5.529 1.910 5.322 1.00 43.30 H new ATOM 0 HD3 LYS A 50 3.976 2.719 5.246 1.00 43.30 H new ATOM 0 HE2 LYS A 50 3.506 1.997 7.608 1.00 51.11 H new ATOM 0 HE3 LYS A 50 5.087 1.243 7.677 1.00 51.11 H new ATOM 0 HZ1 LYS A 50 5.124 3.449 8.642 1.00 25.31 H new ATOM 0 HZ2 LYS A 50 6.104 3.404 7.256 1.00 25.31 H new ATOM 0 HZ3 LYS A 50 4.573 4.134 7.189 1.00 25.31 H new ATOM 743 N TRP A 51 1.808 -0.168 1.101 1.00 33.24 N ATOM 744 CA TRP A 51 0.612 0.154 1.922 1.00 71.03 C ATOM 745 C TRP A 51 -0.544 -0.841 1.672 1.00 43.11 C ATOM 746 O TRP A 51 -0.908 -1.135 0.526 1.00 61.14 O ATOM 747 CB TRP A 51 0.127 1.608 1.664 1.00 31.30 C ATOM 748 CG TRP A 51 1.072 2.672 2.173 1.00 11.23 C ATOM 749 CD1 TRP A 51 2.048 3.315 1.471 1.00 32.24 C ATOM 750 CD2 TRP A 51 1.127 3.197 3.508 1.00 73.21 C ATOM 751 NE1 TRP A 51 2.697 4.210 2.281 1.00 30.23 N ATOM 752 CE2 TRP A 51 2.154 4.159 3.535 1.00 60.44 C ATOM 753 CE3 TRP A 51 0.394 2.953 4.681 1.00 15.01 C ATOM 754 CZ2 TRP A 51 2.478 4.866 4.693 1.00 2.24 C ATOM 755 CZ3 TRP A 51 0.717 3.654 5.826 1.00 24.34 C ATOM 756 CH2 TRP A 51 1.746 4.606 5.824 1.00 50.43 C ATOM 0 H TRP A 51 1.681 0.052 0.113 1.00 33.24 H new ATOM 0 HA TRP A 51 0.914 0.065 2.965 1.00 71.03 H new ATOM 0 HB2 TRP A 51 -0.017 1.747 0.593 1.00 31.30 H new ATOM 0 HB3 TRP A 51 -0.846 1.745 2.137 1.00 31.30 H new ATOM 0 HD1 TRP A 51 2.276 3.144 0.429 1.00 32.24 H new ATOM 0 HE1 TRP A 51 3.464 4.818 1.994 1.00 30.23 H new ATOM 0 HE3 TRP A 51 -0.408 2.230 4.687 1.00 15.01 H new ATOM 0 HZ2 TRP A 51 3.277 5.593 4.699 1.00 2.24 H new ATOM 0 HZ3 TRP A 51 0.168 3.466 6.737 1.00 24.34 H new ATOM 0 HH2 TRP A 51 1.967 5.147 6.732 1.00 50.43 H new ATOM 767 N VAL A 52 -1.095 -1.349 2.782 1.00 13.40 N ATOM 768 CA VAL A 52 -2.355 -2.111 2.820 1.00 44.24 C ATOM 769 C VAL A 52 -3.356 -1.339 3.709 1.00 42.53 C ATOM 770 O VAL A 52 -2.962 -0.713 4.702 1.00 45.23 O ATOM 771 CB VAL A 52 -2.162 -3.588 3.366 1.00 75.42 C ATOM 772 CG1 VAL A 52 -1.283 -4.439 2.411 1.00 72.45 C ATOM 773 CG2 VAL A 52 -1.591 -3.609 4.810 1.00 12.42 C ATOM 0 H VAL A 52 -0.668 -1.240 3.702 1.00 13.40 H new ATOM 0 HA VAL A 52 -2.730 -2.209 1.801 1.00 44.24 H new ATOM 0 HB VAL A 52 -3.154 -4.039 3.402 1.00 75.42 H new ATOM 0 HG11 VAL A 52 -1.173 -5.444 2.817 1.00 72.45 H new ATOM 0 HG12 VAL A 52 -1.758 -4.494 1.431 1.00 72.45 H new ATOM 0 HG13 VAL A 52 -0.300 -3.977 2.313 1.00 72.45 H new ATOM 0 HG21 VAL A 52 -1.476 -4.641 5.141 1.00 12.42 H new ATOM 0 HG22 VAL A 52 -0.620 -3.113 4.825 1.00 12.42 H new ATOM 0 HG23 VAL A 52 -2.275 -3.087 5.479 1.00 12.42 H new ATOM 783 N ILE A 53 -4.636 -1.344 3.328 1.00 74.15 N ATOM 784 CA ILE A 53 -5.718 -0.728 4.126 1.00 32.22 C ATOM 785 C ILE A 53 -6.724 -1.808 4.575 1.00 40.32 C ATOM 786 O ILE A 53 -6.498 -3.009 4.375 1.00 51.32 O ATOM 787 CB ILE A 53 -6.460 0.453 3.362 1.00 23.54 C ATOM 788 CG1 ILE A 53 -7.322 -0.068 2.165 1.00 31.11 C ATOM 789 CG2 ILE A 53 -5.442 1.516 2.889 1.00 2.23 C ATOM 790 CD1 ILE A 53 -8.183 0.967 1.463 1.00 21.12 C ATOM 0 H ILE A 53 -4.959 -1.772 2.460 1.00 74.15 H new ATOM 0 HA ILE A 53 -5.252 -0.278 5.003 1.00 32.22 H new ATOM 0 HB ILE A 53 -7.147 0.918 4.069 1.00 23.54 H new ATOM 0 HG12 ILE A 53 -6.653 -0.514 1.429 1.00 31.11 H new ATOM 0 HG13 ILE A 53 -7.971 -0.864 2.530 1.00 31.11 H new ATOM 0 HG21 ILE A 53 -5.967 2.317 2.368 1.00 2.23 H new ATOM 0 HG22 ILE A 53 -4.918 1.927 3.752 1.00 2.23 H new ATOM 0 HG23 ILE A 53 -4.722 1.055 2.213 1.00 2.23 H new ATOM 0 HD11 ILE A 53 -8.735 0.492 0.652 1.00 21.12 H new ATOM 0 HD12 ILE A 53 -8.886 1.399 2.175 1.00 21.12 H new ATOM 0 HD13 ILE A 53 -7.548 1.754 1.057 1.00 21.12 H new ATOM 802 N GLN A 54 -7.808 -1.365 5.227 1.00 71.13 N ATOM 803 CA GLN A 54 -8.922 -2.222 5.683 1.00 4.14 C ATOM 804 C GLN A 54 -9.438 -3.203 4.584 1.00 42.13 C ATOM 805 O GLN A 54 -9.852 -4.329 4.887 1.00 25.31 O ATOM 806 CB GLN A 54 -10.059 -1.294 6.192 1.00 0.31 C ATOM 807 CG GLN A 54 -11.065 -1.943 7.156 1.00 32.54 C ATOM 808 CD GLN A 54 -12.154 -0.975 7.629 1.00 42.23 C ATOM 809 OE1 GLN A 54 -12.579 -0.086 6.901 1.00 73.42 O ATOM 810 NE2 GLN A 54 -12.585 -1.112 8.865 1.00 32.14 N ATOM 0 H GLN A 54 -7.942 -0.381 5.459 1.00 71.13 H new ATOM 0 HA GLN A 54 -8.560 -2.865 6.485 1.00 4.14 H new ATOM 0 HB2 GLN A 54 -9.608 -0.436 6.690 1.00 0.31 H new ATOM 0 HB3 GLN A 54 -10.605 -0.911 5.330 1.00 0.31 H new ATOM 0 HG2 GLN A 54 -11.534 -2.795 6.663 1.00 32.54 H new ATOM 0 HG3 GLN A 54 -10.530 -2.331 8.023 1.00 32.54 H new ATOM 0 HE21 GLN A 54 -12.217 -1.860 9.453 1.00 32.14 H new ATOM 0 HE22 GLN A 54 -13.287 -0.471 9.234 1.00 32.14 H new ATOM 819 N GLU A 55 -9.390 -2.774 3.311 1.00 22.30 N ATOM 820 CA GLU A 55 -9.892 -3.560 2.164 1.00 11.41 C ATOM 821 C GLU A 55 -9.029 -4.820 1.833 1.00 51.42 C ATOM 822 O GLU A 55 -9.554 -5.822 1.328 1.00 34.13 O ATOM 823 CB GLU A 55 -9.979 -2.638 0.918 1.00 22.32 C ATOM 824 CG GLU A 55 -10.703 -3.242 -0.310 1.00 33.34 C ATOM 825 CD GLU A 55 -12.222 -3.432 -0.122 1.00 14.42 C ATOM 826 OE1 GLU A 55 -12.641 -4.407 0.544 1.00 61.21 O ATOM 827 OE2 GLU A 55 -13.006 -2.611 -0.652 1.00 53.14 O ATOM 0 H GLU A 55 -9.001 -1.869 3.045 1.00 22.30 H new ATOM 0 HA GLU A 55 -10.876 -3.936 2.445 1.00 11.41 H new ATOM 0 HB2 GLU A 55 -10.490 -1.719 1.203 1.00 22.32 H new ATOM 0 HB3 GLU A 55 -8.967 -2.361 0.621 1.00 22.32 H new ATOM 0 HG2 GLU A 55 -10.533 -2.596 -1.171 1.00 33.34 H new ATOM 0 HG3 GLU A 55 -10.254 -4.208 -0.543 1.00 33.34 H new ATOM 834 N GLU A 56 -7.716 -4.787 2.127 1.00 5.12 N ATOM 835 CA GLU A 56 -6.775 -5.882 1.728 1.00 20.54 C ATOM 836 C GLU A 56 -6.829 -7.095 2.693 1.00 34.43 C ATOM 837 O GLU A 56 -6.276 -8.154 2.385 1.00 51.11 O ATOM 838 CB GLU A 56 -5.311 -5.338 1.633 1.00 54.11 C ATOM 839 CG GLU A 56 -4.965 -4.584 0.323 1.00 22.13 C ATOM 840 CD GLU A 56 -5.868 -3.384 0.029 1.00 2.30 C ATOM 841 OE1 GLU A 56 -5.885 -2.474 0.850 1.00 41.41 O ATOM 842 OE2 GLU A 56 -6.557 -3.344 -1.023 1.00 23.53 O ATOM 0 H GLU A 56 -7.272 -4.023 2.637 1.00 5.12 H new ATOM 0 HA GLU A 56 -7.098 -6.233 0.748 1.00 20.54 H new ATOM 0 HB2 GLU A 56 -5.135 -4.668 2.475 1.00 54.11 H new ATOM 0 HB3 GLU A 56 -4.622 -6.176 1.743 1.00 54.11 H new ATOM 0 HG2 GLU A 56 -3.932 -4.241 0.377 1.00 22.13 H new ATOM 0 HG3 GLU A 56 -5.026 -5.283 -0.511 1.00 22.13 H new ATOM 849 N ILE A 57 -7.502 -6.938 3.847 1.00 51.42 N ATOM 850 CA ILE A 57 -7.501 -7.941 4.939 1.00 13.23 C ATOM 851 C ILE A 57 -8.885 -8.640 5.082 1.00 12.43 C ATOM 852 O ILE A 57 -9.930 -7.987 4.996 1.00 74.13 O ATOM 853 CB ILE A 57 -7.097 -7.247 6.295 1.00 52.34 C ATOM 854 CG1 ILE A 57 -5.664 -6.614 6.170 1.00 20.02 C ATOM 855 CG2 ILE A 57 -7.181 -8.234 7.482 1.00 4.30 C ATOM 856 CD1 ILE A 57 -5.165 -5.852 7.390 1.00 41.43 C ATOM 0 H ILE A 57 -8.064 -6.112 4.054 1.00 51.42 H new ATOM 0 HA ILE A 57 -6.771 -8.711 4.690 1.00 13.23 H new ATOM 0 HB ILE A 57 -7.809 -6.447 6.499 1.00 52.34 H new ATOM 0 HG12 ILE A 57 -4.954 -7.411 5.948 1.00 20.02 H new ATOM 0 HG13 ILE A 57 -5.660 -5.937 5.316 1.00 20.02 H new ATOM 0 HG21 ILE A 57 -6.896 -7.723 8.401 1.00 4.30 H new ATOM 0 HG22 ILE A 57 -8.202 -8.605 7.575 1.00 4.30 H new ATOM 0 HG23 ILE A 57 -6.505 -9.071 7.308 1.00 4.30 H new ATOM 0 HD11 ILE A 57 -4.168 -5.460 7.191 1.00 41.43 H new ATOM 0 HD12 ILE A 57 -5.843 -5.027 7.606 1.00 41.43 H new ATOM 0 HD13 ILE A 57 -5.126 -6.524 8.248 1.00 41.43 H new ATOM 868 N LYS A 58 -8.854 -9.972 5.312 1.00 54.40 N ATOM 869 CA LYS A 58 -10.059 -10.812 5.531 1.00 62.44 C ATOM 870 C LYS A 58 -10.799 -10.447 6.834 1.00 64.31 C ATOM 871 O LYS A 58 -12.000 -10.165 6.836 1.00 50.21 O ATOM 872 CB LYS A 58 -9.646 -12.311 5.586 1.00 63.12 C ATOM 873 CG LYS A 58 -10.812 -13.303 5.816 1.00 12.41 C ATOM 874 CD LYS A 58 -10.380 -14.784 5.697 1.00 42.13 C ATOM 875 CE LYS A 58 -9.311 -15.195 6.725 1.00 41.43 C ATOM 876 NZ LYS A 58 -9.771 -15.041 8.133 1.00 14.41 N ATOM 0 H LYS A 58 -7.983 -10.502 5.352 1.00 54.40 H new ATOM 0 HA LYS A 58 -10.738 -10.629 4.698 1.00 62.44 H new ATOM 0 HB2 LYS A 58 -9.148 -12.570 4.652 1.00 63.12 H new ATOM 0 HB3 LYS A 58 -8.915 -12.442 6.384 1.00 63.12 H new ATOM 0 HG2 LYS A 58 -11.236 -13.133 6.805 1.00 12.41 H new ATOM 0 HG3 LYS A 58 -11.601 -13.101 5.092 1.00 12.41 H new ATOM 0 HD2 LYS A 58 -11.256 -15.421 5.821 1.00 42.13 H new ATOM 0 HD3 LYS A 58 -9.995 -14.963 4.693 1.00 42.13 H new ATOM 0 HE2 LYS A 58 -9.028 -16.233 6.552 1.00 41.43 H new ATOM 0 HE3 LYS A 58 -8.416 -14.591 6.572 1.00 41.43 H new ATOM 0 HZ1 LYS A 58 -9.138 -14.386 8.635 1.00 14.41 H new ATOM 0 HZ2 LYS A 58 -10.740 -14.662 8.142 1.00 14.41 H new ATOM 0 HZ3 LYS A 58 -9.757 -15.967 8.606 1.00 14.41 H new ATOM 890 N ASP A 59 -10.041 -10.444 7.931 1.00 33.10 N ATOM 891 CA ASP A 59 -10.576 -10.320 9.302 1.00 63.25 C ATOM 892 C ASP A 59 -10.978 -8.869 9.670 1.00 55.11 C ATOM 893 O ASP A 59 -11.472 -8.643 10.785 1.00 23.45 O ATOM 894 CB ASP A 59 -9.544 -10.899 10.298 1.00 4.25 C ATOM 895 CG ASP A 59 -9.209 -12.368 9.982 1.00 54.22 C ATOM 896 OD1 ASP A 59 -8.332 -12.619 9.116 1.00 62.22 O ATOM 897 OD2 ASP A 59 -9.853 -13.279 10.549 1.00 42.44 O ATOM 0 H ASP A 59 -9.025 -10.528 7.900 1.00 33.10 H new ATOM 0 HA ASP A 59 -11.501 -10.894 9.358 1.00 63.25 H new ATOM 0 HB2 ASP A 59 -8.632 -10.303 10.265 1.00 4.25 H new ATOM 0 HB3 ASP A 59 -9.936 -10.825 11.312 1.00 4.25 H new ATOM 902 N ALA A 60 -10.732 -7.904 8.745 1.00 35.25 N ATOM 903 CA ALA A 60 -11.099 -6.469 8.894 1.00 14.14 C ATOM 904 C ALA A 60 -12.493 -6.226 9.524 1.00 53.22 C ATOM 905 O ALA A 60 -12.588 -5.545 10.537 1.00 53.02 O ATOM 906 CB ALA A 60 -10.990 -5.768 7.533 1.00 74.55 C ATOM 0 H ALA A 60 -10.266 -8.104 7.860 1.00 35.25 H new ATOM 0 HA ALA A 60 -10.389 -6.042 9.602 1.00 14.14 H new ATOM 0 HB1 ALA A 60 -11.259 -4.717 7.642 1.00 74.55 H new ATOM 0 HB2 ALA A 60 -9.967 -5.844 7.165 1.00 74.55 H new ATOM 0 HB3 ALA A 60 -11.667 -6.244 6.823 1.00 74.55 H new ATOM 912 N GLY A 61 -13.567 -6.749 8.899 1.00 22.43 N ATOM 913 CA GLY A 61 -14.910 -6.742 9.523 1.00 12.41 C ATOM 914 C GLY A 61 -15.529 -5.352 9.749 1.00 10.32 C ATOM 915 O GLY A 61 -16.371 -5.193 10.640 1.00 23.23 O ATOM 0 H GLY A 61 -13.535 -7.177 7.974 1.00 22.43 H new ATOM 0 HA2 GLY A 61 -15.586 -7.324 8.896 1.00 12.41 H new ATOM 0 HA3 GLY A 61 -14.848 -7.253 10.484 1.00 12.41 H new ATOM 919 N ASP A 62 -15.076 -4.351 8.956 1.00 63.13 N ATOM 920 CA ASP A 62 -15.445 -2.914 9.111 1.00 34.04 C ATOM 921 C ASP A 62 -15.009 -2.314 10.485 1.00 52.15 C ATOM 922 O ASP A 62 -15.469 -1.236 10.874 1.00 24.52 O ATOM 923 CB ASP A 62 -16.967 -2.687 8.847 1.00 70.43 C ATOM 924 CG ASP A 62 -17.373 -2.958 7.391 1.00 71.24 C ATOM 925 OD1 ASP A 62 -17.364 -4.136 6.969 1.00 1.44 O ATOM 926 OD2 ASP A 62 -17.706 -2.001 6.658 1.00 51.20 O ATOM 0 H ASP A 62 -14.436 -4.516 8.179 1.00 63.13 H new ATOM 0 HA ASP A 62 -14.884 -2.371 8.351 1.00 34.04 H new ATOM 0 HB2 ASP A 62 -17.545 -3.336 9.506 1.00 70.43 H new ATOM 0 HB3 ASP A 62 -17.225 -1.660 9.105 1.00 70.43 H new ATOM 931 N LYS A 63 -14.079 -2.994 11.184 1.00 4.24 N ATOM 932 CA LYS A 63 -13.546 -2.538 12.493 1.00 13.15 C ATOM 933 C LYS A 63 -12.086 -2.054 12.345 1.00 73.44 C ATOM 934 O LYS A 63 -11.433 -2.309 11.321 1.00 53.22 O ATOM 935 CB LYS A 63 -13.638 -3.691 13.549 1.00 42.44 C ATOM 936 CG LYS A 63 -12.467 -4.710 13.528 1.00 11.34 C ATOM 937 CD LYS A 63 -12.721 -5.964 14.395 1.00 60.44 C ATOM 938 CE LYS A 63 -13.897 -6.819 13.878 1.00 22.11 C ATOM 939 NZ LYS A 63 -14.118 -8.030 14.714 1.00 11.35 N ATOM 0 H LYS A 63 -13.674 -3.873 10.862 1.00 4.24 H new ATOM 0 HA LYS A 63 -14.151 -1.700 12.841 1.00 13.15 H new ATOM 0 HB2 LYS A 63 -13.692 -3.247 14.543 1.00 42.44 H new ATOM 0 HB3 LYS A 63 -14.571 -4.232 13.390 1.00 42.44 H new ATOM 0 HG2 LYS A 63 -12.286 -5.021 12.499 1.00 11.34 H new ATOM 0 HG3 LYS A 63 -11.560 -4.216 13.876 1.00 11.34 H new ATOM 0 HD2 LYS A 63 -11.817 -6.573 14.419 1.00 60.44 H new ATOM 0 HD3 LYS A 63 -12.925 -5.656 15.421 1.00 60.44 H new ATOM 0 HE2 LYS A 63 -14.805 -6.216 13.866 1.00 22.11 H new ATOM 0 HE3 LYS A 63 -13.701 -7.120 12.849 1.00 22.11 H new ATOM 0 HZ1 LYS A 63 -14.917 -8.575 14.331 1.00 11.35 H new ATOM 0 HZ2 LYS A 63 -13.261 -8.619 14.705 1.00 11.35 H new ATOM 0 HZ3 LYS A 63 -14.331 -7.743 15.691 1.00 11.35 H new ATOM 953 N THR A 64 -11.579 -1.372 13.383 1.00 25.14 N ATOM 954 CA THR A 64 -10.157 -0.998 13.470 1.00 14.30 C ATOM 955 C THR A 64 -9.365 -2.153 14.115 1.00 63.13 C ATOM 956 O THR A 64 -9.576 -2.486 15.290 1.00 31.11 O ATOM 957 CB THR A 64 -9.958 0.323 14.285 1.00 25.23 C ATOM 958 OG1 THR A 64 -10.739 1.375 13.698 1.00 75.14 O ATOM 959 CG2 THR A 64 -8.481 0.769 14.347 1.00 34.51 C ATOM 0 H THR A 64 -12.137 -1.066 14.180 1.00 25.14 H new ATOM 0 HA THR A 64 -9.785 -0.816 12.462 1.00 14.30 H new ATOM 0 HB THR A 64 -10.285 0.120 15.305 1.00 25.23 H new ATOM 0 HG1 THR A 64 -10.614 2.201 14.211 1.00 75.14 H new ATOM 0 HG21 THR A 64 -8.403 1.690 14.924 1.00 34.51 H new ATOM 0 HG22 THR A 64 -7.886 -0.010 14.824 1.00 34.51 H new ATOM 0 HG23 THR A 64 -8.110 0.942 13.337 1.00 34.51 H new ATOM 967 N LEU A 65 -8.499 -2.785 13.312 1.00 1.13 N ATOM 968 CA LEU A 65 -7.608 -3.865 13.769 1.00 24.32 C ATOM 969 C LEU A 65 -6.446 -3.258 14.590 1.00 62.11 C ATOM 970 O LEU A 65 -5.684 -2.423 14.093 1.00 61.21 O ATOM 971 CB LEU A 65 -7.091 -4.664 12.549 1.00 22.44 C ATOM 972 CG LEU A 65 -8.194 -5.297 11.638 1.00 4.54 C ATOM 973 CD1 LEU A 65 -7.588 -5.844 10.331 1.00 35.12 C ATOM 974 CD2 LEU A 65 -8.988 -6.390 12.395 1.00 23.32 C ATOM 0 H LEU A 65 -8.395 -2.562 12.322 1.00 1.13 H new ATOM 0 HA LEU A 65 -8.153 -4.556 14.413 1.00 24.32 H new ATOM 0 HB2 LEU A 65 -6.476 -4.003 11.938 1.00 22.44 H new ATOM 0 HB3 LEU A 65 -6.441 -5.461 12.909 1.00 22.44 H new ATOM 0 HG LEU A 65 -8.898 -4.509 11.370 1.00 4.54 H new ATOM 0 HD11 LEU A 65 -8.378 -6.278 9.718 1.00 35.12 H new ATOM 0 HD12 LEU A 65 -7.109 -5.032 9.784 1.00 35.12 H new ATOM 0 HD13 LEU A 65 -6.848 -6.610 10.565 1.00 35.12 H new ATOM 0 HD21 LEU A 65 -9.747 -6.811 11.736 1.00 23.32 H new ATOM 0 HD22 LEU A 65 -8.307 -7.179 12.715 1.00 23.32 H new ATOM 0 HD23 LEU A 65 -9.470 -5.951 13.269 1.00 23.32 H new ATOM 986 N GLN A 66 -6.337 -3.686 15.845 1.00 40.34 N ATOM 987 CA GLN A 66 -5.484 -3.041 16.865 1.00 3.44 C ATOM 988 C GLN A 66 -4.107 -3.753 16.990 1.00 24.42 C ATOM 989 O GLN A 66 -3.994 -4.923 16.624 1.00 34.31 O ATOM 990 CB GLN A 66 -6.284 -3.049 18.198 1.00 1.04 C ATOM 991 CG GLN A 66 -7.611 -2.247 18.116 1.00 22.51 C ATOM 992 CD GLN A 66 -8.630 -2.568 19.213 1.00 32.12 C ATOM 993 OE1 GLN A 66 -8.283 -2.943 20.330 1.00 34.11 O ATOM 994 NE2 GLN A 66 -9.901 -2.421 18.891 1.00 53.32 N ATOM 0 H GLN A 66 -6.841 -4.500 16.196 1.00 40.34 H new ATOM 0 HA GLN A 66 -5.249 -2.015 16.583 1.00 3.44 H new ATOM 0 HB2 GLN A 66 -6.506 -4.079 18.476 1.00 1.04 H new ATOM 0 HB3 GLN A 66 -5.663 -2.632 18.990 1.00 1.04 H new ATOM 0 HG2 GLN A 66 -7.378 -1.183 18.157 1.00 22.51 H new ATOM 0 HG3 GLN A 66 -8.072 -2.435 17.146 1.00 22.51 H new ATOM 0 HE21 GLN A 66 -10.157 -2.108 17.955 1.00 53.32 H new ATOM 0 HE22 GLN A 66 -10.628 -2.621 19.578 1.00 53.32 H new ATOM 1003 N PRO A 67 -3.022 -3.034 17.446 1.00 12.42 N ATOM 1004 CA PRO A 67 -1.685 -3.649 17.692 1.00 34.11 C ATOM 1005 C PRO A 67 -1.741 -4.952 18.549 1.00 45.14 C ATOM 1006 O PRO A 67 -2.121 -4.922 19.723 1.00 55.10 O ATOM 1007 CB PRO A 67 -0.908 -2.515 18.406 1.00 15.11 C ATOM 1008 CG PRO A 67 -1.524 -1.256 17.870 1.00 73.23 C ATOM 1009 CD PRO A 67 -2.995 -1.565 17.697 1.00 32.21 C ATOM 0 HA PRO A 67 -1.215 -3.987 16.769 1.00 34.11 H new ATOM 0 HB2 PRO A 67 -1.013 -2.580 19.489 1.00 15.11 H new ATOM 0 HB3 PRO A 67 0.158 -2.562 18.186 1.00 15.11 H new ATOM 0 HG2 PRO A 67 -1.377 -0.424 18.558 1.00 73.23 H new ATOM 0 HG3 PRO A 67 -1.069 -0.970 16.922 1.00 73.23 H new ATOM 0 HD2 PRO A 67 -3.567 -1.300 18.587 1.00 32.21 H new ATOM 0 HD3 PRO A 67 -3.425 -1.009 16.864 1.00 32.21 H new ATOM 1017 N GLY A 68 -1.381 -6.088 17.920 1.00 73.33 N ATOM 1018 CA GLY A 68 -1.460 -7.423 18.551 1.00 64.13 C ATOM 1019 C GLY A 68 -2.479 -8.370 17.894 1.00 14.53 C ATOM 1020 O GLY A 68 -2.422 -9.589 18.112 1.00 60.20 O ATOM 0 H GLY A 68 -1.028 -6.108 16.963 1.00 73.33 H new ATOM 0 HA2 GLY A 68 -0.475 -7.888 18.517 1.00 64.13 H new ATOM 0 HA3 GLY A 68 -1.719 -7.301 19.603 1.00 64.13 H new ATOM 1024 N ASP A 69 -3.423 -7.814 17.106 1.00 14.33 N ATOM 1025 CA ASP A 69 -4.370 -8.621 16.300 1.00 1.42 C ATOM 1026 C ASP A 69 -3.635 -9.323 15.140 1.00 34.13 C ATOM 1027 O ASP A 69 -2.850 -8.702 14.424 1.00 63.50 O ATOM 1028 CB ASP A 69 -5.532 -7.749 15.748 1.00 63.41 C ATOM 1029 CG ASP A 69 -6.598 -7.453 16.812 1.00 12.22 C ATOM 1030 OD1 ASP A 69 -7.517 -8.287 16.983 1.00 30.45 O ATOM 1031 OD2 ASP A 69 -6.501 -6.426 17.514 1.00 33.41 O ATOM 0 H ASP A 69 -3.552 -6.807 17.009 1.00 14.33 H new ATOM 0 HA ASP A 69 -4.798 -9.378 16.956 1.00 1.42 H new ATOM 0 HB2 ASP A 69 -5.129 -6.809 15.370 1.00 63.41 H new ATOM 0 HB3 ASP A 69 -5.997 -8.259 14.904 1.00 63.41 H new ATOM 1036 N GLN A 70 -3.907 -10.619 14.964 1.00 42.00 N ATOM 1037 CA GLN A 70 -3.275 -11.431 13.912 1.00 33.25 C ATOM 1038 C GLN A 70 -4.342 -11.803 12.858 1.00 33.35 C ATOM 1039 O GLN A 70 -5.355 -12.432 13.170 1.00 25.01 O ATOM 1040 CB GLN A 70 -2.604 -12.680 14.549 1.00 10.32 C ATOM 1041 CG GLN A 70 -1.601 -13.414 13.639 1.00 42.42 C ATOM 1042 CD GLN A 70 -0.874 -14.564 14.345 1.00 22.30 C ATOM 1043 OE1 GLN A 70 -1.418 -15.220 15.230 1.00 12.52 O ATOM 1044 NE2 GLN A 70 0.365 -14.814 13.973 1.00 10.53 N ATOM 0 H GLN A 70 -4.569 -11.136 15.543 1.00 42.00 H new ATOM 0 HA GLN A 70 -2.489 -10.869 13.407 1.00 33.25 H new ATOM 0 HB2 GLN A 70 -2.089 -12.373 15.459 1.00 10.32 H new ATOM 0 HB3 GLN A 70 -3.384 -13.382 14.845 1.00 10.32 H new ATOM 0 HG2 GLN A 70 -2.129 -13.806 12.769 1.00 42.42 H new ATOM 0 HG3 GLN A 70 -0.865 -12.700 13.270 1.00 42.42 H new ATOM 0 HE21 GLN A 70 0.798 -14.258 13.236 1.00 10.53 H new ATOM 0 HE22 GLN A 70 0.891 -15.564 14.422 1.00 10.53 H new ATOM 1053 N VAL A 71 -4.092 -11.401 11.609 1.00 74.34 N ATOM 1054 CA VAL A 71 -5.084 -11.411 10.509 1.00 21.32 C ATOM 1055 C VAL A 71 -4.497 -12.073 9.237 1.00 51.51 C ATOM 1056 O VAL A 71 -3.289 -12.256 9.135 1.00 34.33 O ATOM 1057 CB VAL A 71 -5.540 -9.934 10.184 1.00 2.34 C ATOM 1058 CG1 VAL A 71 -6.275 -9.291 11.392 1.00 54.31 C ATOM 1059 CG2 VAL A 71 -4.335 -9.057 9.733 1.00 32.54 C ATOM 0 H VAL A 71 -3.179 -11.051 11.319 1.00 74.34 H new ATOM 0 HA VAL A 71 -5.946 -11.995 10.831 1.00 21.32 H new ATOM 0 HB VAL A 71 -6.245 -9.984 9.354 1.00 2.34 H new ATOM 0 HG11 VAL A 71 -6.576 -8.275 11.136 1.00 54.31 H new ATOM 0 HG12 VAL A 71 -7.159 -9.881 11.636 1.00 54.31 H new ATOM 0 HG13 VAL A 71 -5.607 -9.266 12.253 1.00 54.31 H new ATOM 0 HG21 VAL A 71 -4.681 -8.046 9.517 1.00 32.54 H new ATOM 0 HG22 VAL A 71 -3.591 -9.023 10.529 1.00 32.54 H new ATOM 0 HG23 VAL A 71 -3.887 -9.487 8.837 1.00 32.54 H new ATOM 1069 N ILE A 72 -5.361 -12.439 8.278 1.00 13.41 N ATOM 1070 CA ILE A 72 -4.930 -13.018 6.976 1.00 45.52 C ATOM 1071 C ILE A 72 -5.195 -12.017 5.821 1.00 14.00 C ATOM 1072 O ILE A 72 -6.209 -11.313 5.819 1.00 12.42 O ATOM 1073 CB ILE A 72 -5.654 -14.388 6.688 1.00 52.43 C ATOM 1074 CG1 ILE A 72 -5.441 -15.398 7.864 1.00 44.54 C ATOM 1075 CG2 ILE A 72 -5.203 -15.011 5.340 1.00 75.22 C ATOM 1076 CD1 ILE A 72 -3.990 -15.753 8.164 1.00 11.45 C ATOM 0 H ILE A 72 -6.372 -12.347 8.372 1.00 13.41 H new ATOM 0 HA ILE A 72 -3.859 -13.210 7.037 1.00 45.52 H new ATOM 0 HB ILE A 72 -6.720 -14.174 6.609 1.00 52.43 H new ATOM 0 HG12 ILE A 72 -5.889 -14.980 8.765 1.00 44.54 H new ATOM 0 HG13 ILE A 72 -5.982 -16.316 7.635 1.00 44.54 H new ATOM 0 HG21 ILE A 72 -5.727 -15.954 5.182 1.00 75.22 H new ATOM 0 HG22 ILE A 72 -5.437 -14.325 4.526 1.00 75.22 H new ATOM 0 HG23 ILE A 72 -4.128 -15.193 5.364 1.00 75.22 H new ATOM 0 HD11 ILE A 72 -3.952 -16.458 8.994 1.00 11.45 H new ATOM 0 HD12 ILE A 72 -3.536 -16.206 7.282 1.00 11.45 H new ATOM 0 HD13 ILE A 72 -3.442 -14.849 8.430 1.00 11.45 H new ATOM 1088 N LEU A 73 -4.262 -11.956 4.853 1.00 23.51 N ATOM 1089 CA LEU A 73 -4.348 -11.054 3.681 1.00 33.44 C ATOM 1090 C LEU A 73 -5.111 -11.723 2.498 1.00 32.30 C ATOM 1091 O LEU A 73 -4.747 -12.822 2.063 1.00 0.03 O ATOM 1092 CB LEU A 73 -2.908 -10.658 3.248 1.00 31.42 C ATOM 1093 CG LEU A 73 -2.009 -10.006 4.357 1.00 44.43 C ATOM 1094 CD1 LEU A 73 -0.580 -9.739 3.835 1.00 74.35 C ATOM 1095 CD2 LEU A 73 -2.652 -8.713 4.921 1.00 4.14 C ATOM 0 H LEU A 73 -3.421 -12.533 4.859 1.00 23.51 H new ATOM 0 HA LEU A 73 -4.910 -10.163 3.961 1.00 33.44 H new ATOM 0 HB2 LEU A 73 -2.403 -11.550 2.878 1.00 31.42 H new ATOM 0 HB3 LEU A 73 -2.980 -9.963 2.412 1.00 31.42 H new ATOM 0 HG LEU A 73 -1.934 -10.719 5.178 1.00 44.43 H new ATOM 0 HD11 LEU A 73 0.018 -9.287 4.626 1.00 74.35 H new ATOM 0 HD12 LEU A 73 -0.123 -10.680 3.527 1.00 74.35 H new ATOM 0 HD13 LEU A 73 -0.625 -9.061 2.982 1.00 74.35 H new ATOM 0 HD21 LEU A 73 -2.003 -8.288 5.687 1.00 4.14 H new ATOM 0 HD22 LEU A 73 -2.784 -7.991 4.115 1.00 4.14 H new ATOM 0 HD23 LEU A 73 -3.622 -8.950 5.358 1.00 4.14 H new ATOM 1107 N GLU A 74 -6.188 -11.064 2.015 1.00 13.21 N ATOM 1108 CA GLU A 74 -6.945 -11.508 0.809 1.00 52.14 C ATOM 1109 C GLU A 74 -6.371 -10.918 -0.493 1.00 12.52 C ATOM 1110 O GLU A 74 -6.516 -11.512 -1.567 1.00 4.33 O ATOM 1111 CB GLU A 74 -8.449 -11.160 0.932 1.00 15.35 C ATOM 1112 CG GLU A 74 -9.172 -11.902 2.061 1.00 15.14 C ATOM 1113 CD GLU A 74 -8.996 -13.431 1.994 1.00 50.33 C ATOM 1114 OE1 GLU A 74 -9.527 -14.063 1.055 1.00 31.15 O ATOM 1115 OE2 GLU A 74 -8.319 -14.011 2.873 1.00 42.45 O ATOM 0 H GLU A 74 -6.560 -10.215 2.442 1.00 13.21 H new ATOM 0 HA GLU A 74 -6.836 -12.591 0.758 1.00 52.14 H new ATOM 0 HB2 GLU A 74 -8.551 -10.087 1.093 1.00 15.35 H new ATOM 0 HB3 GLU A 74 -8.942 -11.388 -0.013 1.00 15.35 H new ATOM 0 HG2 GLU A 74 -8.800 -11.542 3.020 1.00 15.14 H new ATOM 0 HG3 GLU A 74 -10.235 -11.663 2.021 1.00 15.14 H new ATOM 1122 N ALA A 75 -5.757 -9.732 -0.414 1.00 62.32 N ATOM 1123 CA ALA A 75 -5.007 -9.168 -1.552 1.00 54.10 C ATOM 1124 C ALA A 75 -3.574 -9.719 -1.580 1.00 61.21 C ATOM 1125 O ALA A 75 -3.043 -10.173 -0.558 1.00 34.51 O ATOM 1126 CB ALA A 75 -4.994 -7.638 -1.505 1.00 64.21 C ATOM 0 H ALA A 75 -5.762 -9.144 0.419 1.00 62.32 H new ATOM 0 HA ALA A 75 -5.514 -9.470 -2.469 1.00 54.10 H new ATOM 0 HB1 ALA A 75 -4.434 -7.253 -2.357 1.00 64.21 H new ATOM 0 HB2 ALA A 75 -6.017 -7.264 -1.544 1.00 64.21 H new ATOM 0 HB3 ALA A 75 -4.522 -7.306 -0.580 1.00 64.21 H new ATOM 1132 N SER A 76 -2.952 -9.653 -2.756 1.00 54.12 N ATOM 1133 CA SER A 76 -1.585 -10.144 -2.961 1.00 11.53 C ATOM 1134 C SER A 76 -0.844 -9.221 -3.947 1.00 41.25 C ATOM 1135 O SER A 76 -1.312 -8.986 -5.065 1.00 74.43 O ATOM 1136 CB SER A 76 -1.622 -11.594 -3.503 1.00 51.44 C ATOM 1137 OG SER A 76 -0.332 -12.174 -3.537 1.00 4.12 O ATOM 0 H SER A 76 -3.379 -9.259 -3.594 1.00 54.12 H new ATOM 0 HA SER A 76 -1.054 -10.141 -2.009 1.00 11.53 H new ATOM 0 HB2 SER A 76 -2.277 -12.200 -2.877 1.00 51.44 H new ATOM 0 HB3 SER A 76 -2.049 -11.597 -4.506 1.00 51.44 H new ATOM 0 HG SER A 76 0.210 -11.726 -4.220 1.00 4.12 H new ATOM 1143 N HIS A 77 0.315 -8.706 -3.520 1.00 63.35 N ATOM 1144 CA HIS A 77 1.189 -7.844 -4.344 1.00 13.05 C ATOM 1145 C HIS A 77 2.302 -8.670 -5.036 1.00 41.41 C ATOM 1146 O HIS A 77 2.956 -8.185 -5.969 1.00 21.13 O ATOM 1147 CB HIS A 77 1.809 -6.747 -3.429 1.00 60.03 C ATOM 1148 CG HIS A 77 0.796 -5.816 -2.780 1.00 70.10 C ATOM 1149 ND1 HIS A 77 1.133 -5.051 -1.691 1.00 14.15 N ATOM 1150 CD2 HIS A 77 -0.508 -5.563 -3.099 1.00 5.41 C ATOM 1151 CE1 HIS A 77 0.055 -4.361 -1.374 1.00 53.15 C ATOM 1152 NE2 HIS A 77 -0.964 -4.637 -2.197 1.00 12.34 N ATOM 0 H HIS A 77 0.682 -8.874 -2.583 1.00 63.35 H new ATOM 0 HA HIS A 77 0.596 -7.379 -5.132 1.00 13.05 H new ATOM 0 HB2 HIS A 77 2.391 -7.232 -2.645 1.00 60.03 H new ATOM 0 HB3 HIS A 77 2.505 -6.151 -4.019 1.00 60.03 H new ATOM 0 HD2 HIS A 77 -1.071 -6.007 -3.906 1.00 5.41 H new ATOM 0 HE1 HIS A 77 0.001 -3.661 -0.553 1.00 53.15 H new ATOM 0 HE2 HIS A 77 -1.901 -4.235 -2.160 1.00 12.34 H new ATOM 1160 N MET A 78 2.491 -9.928 -4.577 1.00 42.30 N ATOM 1161 CA MET A 78 3.599 -10.806 -5.022 1.00 2.23 C ATOM 1162 C MET A 78 3.264 -12.307 -4.821 1.00 53.45 C ATOM 1163 O MET A 78 2.220 -12.658 -4.267 1.00 33.13 O ATOM 1164 CB MET A 78 4.894 -10.448 -4.246 1.00 33.23 C ATOM 1165 CG MET A 78 4.758 -10.547 -2.724 1.00 71.22 C ATOM 1166 SD MET A 78 6.320 -10.257 -1.876 1.00 40.22 S ATOM 1167 CE MET A 78 5.808 -10.438 -0.175 1.00 45.31 C ATOM 0 H MET A 78 1.879 -10.364 -3.887 1.00 42.30 H new ATOM 0 HA MET A 78 3.747 -10.640 -6.089 1.00 2.23 H new ATOM 0 HB2 MET A 78 5.695 -11.111 -4.572 1.00 33.23 H new ATOM 0 HB3 MET A 78 5.193 -9.433 -4.508 1.00 33.23 H new ATOM 0 HG2 MET A 78 4.021 -9.822 -2.380 1.00 71.22 H new ATOM 0 HG3 MET A 78 4.382 -11.535 -2.459 1.00 71.22 H new ATOM 0 HE1 MET A 78 6.575 -10.977 0.381 1.00 45.31 H new ATOM 0 HE2 MET A 78 5.664 -9.453 0.268 1.00 45.31 H new ATOM 0 HE3 MET A 78 4.872 -10.995 -0.134 1.00 45.31 H new ATOM 1177 N LYS A 79 4.193 -13.173 -5.250 1.00 64.33 N ATOM 1178 CA LYS A 79 4.043 -14.645 -5.198 1.00 2.43 C ATOM 1179 C LYS A 79 3.942 -15.186 -3.736 1.00 1.34 C ATOM 1180 O LYS A 79 4.934 -15.214 -3.002 1.00 42.40 O ATOM 1181 CB LYS A 79 5.242 -15.274 -5.962 1.00 23.01 C ATOM 1182 CG LYS A 79 5.245 -16.817 -6.073 1.00 54.24 C ATOM 1183 CD LYS A 79 6.359 -17.327 -7.025 1.00 71.13 C ATOM 1184 CE LYS A 79 6.442 -18.862 -7.111 1.00 31.32 C ATOM 1185 NZ LYS A 79 6.942 -19.468 -5.847 1.00 54.14 N ATOM 0 H LYS A 79 5.083 -12.873 -5.649 1.00 64.33 H new ATOM 0 HA LYS A 79 3.104 -14.928 -5.674 1.00 2.43 H new ATOM 0 HB2 LYS A 79 5.263 -14.858 -6.969 1.00 23.01 H new ATOM 0 HB3 LYS A 79 6.163 -14.964 -5.469 1.00 23.01 H new ATOM 0 HG2 LYS A 79 5.386 -17.252 -5.083 1.00 54.24 H new ATOM 0 HG3 LYS A 79 4.275 -17.157 -6.435 1.00 54.24 H new ATOM 0 HD2 LYS A 79 6.185 -16.925 -8.023 1.00 71.13 H new ATOM 0 HD3 LYS A 79 7.320 -16.938 -6.688 1.00 71.13 H new ATOM 0 HE2 LYS A 79 5.456 -19.266 -7.340 1.00 31.32 H new ATOM 0 HE3 LYS A 79 7.101 -19.143 -7.933 1.00 31.32 H new ATOM 0 HZ1 LYS A 79 7.348 -20.404 -6.048 1.00 54.14 H new ATOM 0 HZ2 LYS A 79 7.674 -18.855 -5.434 1.00 54.14 H new ATOM 0 HZ3 LYS A 79 6.155 -19.568 -5.175 1.00 54.14 H new ATOM 1199 N GLY A 80 2.712 -15.567 -3.325 1.00 43.22 N ATOM 1200 CA GLY A 80 2.468 -16.214 -2.017 1.00 41.42 C ATOM 1201 C GLY A 80 2.084 -15.259 -0.877 1.00 3.50 C ATOM 1202 O GLY A 80 2.089 -15.667 0.294 1.00 52.32 O ATOM 0 H GLY A 80 1.869 -15.436 -3.884 1.00 43.22 H new ATOM 0 HA2 GLY A 80 1.673 -16.950 -2.136 1.00 41.42 H new ATOM 0 HA3 GLY A 80 3.366 -16.759 -1.726 1.00 41.42 H new ATOM 1206 N MET A 81 1.745 -13.997 -1.210 1.00 34.02 N ATOM 1207 CA MET A 81 1.350 -12.979 -0.202 1.00 10.11 C ATOM 1208 C MET A 81 -0.082 -13.238 0.345 1.00 21.22 C ATOM 1209 O MET A 81 -0.332 -13.090 1.547 1.00 54.42 O ATOM 1210 CB MET A 81 1.467 -11.554 -0.803 1.00 62.52 C ATOM 1211 CG MET A 81 1.050 -10.420 0.144 1.00 62.04 C ATOM 1212 SD MET A 81 1.298 -8.792 -0.586 1.00 3.30 S ATOM 1213 CE MET A 81 0.658 -7.720 0.696 1.00 13.20 C ATOM 0 H MET A 81 1.735 -13.653 -2.170 1.00 34.02 H new ATOM 0 HA MET A 81 2.035 -13.058 0.642 1.00 10.11 H new ATOM 0 HB2 MET A 81 2.499 -11.389 -1.112 1.00 62.52 H new ATOM 0 HB3 MET A 81 0.853 -11.502 -1.702 1.00 62.52 H new ATOM 0 HG2 MET A 81 -0.000 -10.540 0.410 1.00 62.04 H new ATOM 0 HG3 MET A 81 1.623 -10.492 1.068 1.00 62.04 H new ATOM 0 HE1 MET A 81 0.797 -6.679 0.403 1.00 13.20 H new ATOM 0 HE2 MET A 81 -0.404 -7.918 0.839 1.00 13.20 H new ATOM 0 HE3 MET A 81 1.191 -7.909 1.628 1.00 13.20 H new ATOM 1223 N LYS A 82 -1.025 -13.593 -0.551 1.00 13.40 N ATOM 1224 CA LYS A 82 -2.382 -14.031 -0.138 1.00 52.31 C ATOM 1225 C LYS A 82 -2.309 -15.375 0.628 1.00 20.03 C ATOM 1226 O LYS A 82 -1.625 -16.310 0.187 1.00 42.43 O ATOM 1227 CB LYS A 82 -3.340 -14.179 -1.354 1.00 14.02 C ATOM 1228 CG LYS A 82 -4.820 -14.404 -0.950 1.00 55.51 C ATOM 1229 CD LYS A 82 -5.753 -14.743 -2.133 1.00 73.13 C ATOM 1230 CE LYS A 82 -7.250 -14.684 -1.740 1.00 40.02 C ATOM 1231 NZ LYS A 82 -7.578 -15.521 -0.550 1.00 23.35 N ATOM 0 H LYS A 82 -0.877 -13.587 -1.560 1.00 13.40 H new ATOM 0 HA LYS A 82 -2.782 -13.257 0.517 1.00 52.31 H new ATOM 0 HB2 LYS A 82 -3.272 -13.283 -1.971 1.00 14.02 H new ATOM 0 HB3 LYS A 82 -3.008 -15.016 -1.969 1.00 14.02 H new ATOM 0 HG2 LYS A 82 -4.867 -15.213 -0.221 1.00 55.51 H new ATOM 0 HG3 LYS A 82 -5.191 -13.506 -0.455 1.00 55.51 H new ATOM 0 HD2 LYS A 82 -5.567 -14.046 -2.950 1.00 73.13 H new ATOM 0 HD3 LYS A 82 -5.517 -15.740 -2.504 1.00 73.13 H new ATOM 0 HE2 LYS A 82 -7.525 -13.649 -1.535 1.00 40.02 H new ATOM 0 HE3 LYS A 82 -7.854 -15.013 -2.585 1.00 40.02 H new ATOM 0 HZ1 LYS A 82 -8.163 -16.329 -0.844 1.00 23.35 H new ATOM 0 HZ2 LYS A 82 -6.699 -15.869 -0.117 1.00 23.35 H new ATOM 0 HZ3 LYS A 82 -8.102 -14.949 0.143 1.00 23.35 H new ATOM 1245 N GLY A 83 -2.996 -15.458 1.779 1.00 31.51 N ATOM 1246 CA GLY A 83 -2.969 -16.667 2.619 1.00 71.41 C ATOM 1247 C GLY A 83 -1.886 -16.617 3.700 1.00 72.22 C ATOM 1248 O GLY A 83 -1.848 -17.479 4.587 1.00 72.31 O ATOM 0 H GLY A 83 -3.576 -14.704 2.149 1.00 31.51 H new ATOM 0 HA2 GLY A 83 -3.942 -16.796 3.093 1.00 71.41 H new ATOM 0 HA3 GLY A 83 -2.804 -17.539 1.986 1.00 71.41 H new ATOM 1252 N ALA A 84 -0.998 -15.606 3.619 1.00 13.31 N ATOM 1253 CA ALA A 84 0.067 -15.380 4.609 1.00 74.22 C ATOM 1254 C ALA A 84 -0.495 -14.871 5.953 1.00 11.35 C ATOM 1255 O ALA A 84 -1.427 -14.057 5.982 1.00 31.01 O ATOM 1256 CB ALA A 84 1.085 -14.377 4.056 1.00 41.24 C ATOM 0 H ALA A 84 -1.002 -14.923 2.862 1.00 13.31 H new ATOM 0 HA ALA A 84 0.555 -16.337 4.796 1.00 74.22 H new ATOM 0 HB1 ALA A 84 1.871 -14.213 4.793 1.00 41.24 H new ATOM 0 HB2 ALA A 84 1.523 -14.771 3.139 1.00 41.24 H new ATOM 0 HB3 ALA A 84 0.586 -13.432 3.842 1.00 41.24 H new ATOM 1262 N THR A 85 0.093 -15.354 7.055 1.00 43.24 N ATOM 1263 CA THR A 85 -0.294 -14.944 8.414 1.00 60.23 C ATOM 1264 C THR A 85 0.388 -13.605 8.775 1.00 52.05 C ATOM 1265 O THR A 85 1.615 -13.543 8.913 1.00 35.11 O ATOM 1266 CB THR A 85 0.074 -16.038 9.472 1.00 75.01 C ATOM 1267 OG1 THR A 85 -0.433 -17.319 9.047 1.00 51.33 O ATOM 1268 CG2 THR A 85 -0.499 -15.693 10.860 1.00 4.15 C ATOM 0 H THR A 85 0.849 -16.039 7.032 1.00 43.24 H new ATOM 0 HA THR A 85 -1.376 -14.816 8.431 1.00 60.23 H new ATOM 0 HB THR A 85 1.160 -16.077 9.551 1.00 75.01 H new ATOM 0 HG1 THR A 85 -0.199 -18.000 9.711 1.00 51.33 H new ATOM 0 HG21 THR A 85 -0.225 -16.473 11.571 1.00 4.15 H new ATOM 0 HG22 THR A 85 -0.093 -14.738 11.194 1.00 4.15 H new ATOM 0 HG23 THR A 85 -1.585 -15.623 10.798 1.00 4.15 H new ATOM 1276 N ALA A 86 -0.425 -12.550 8.931 1.00 75.31 N ATOM 1277 CA ALA A 86 0.036 -11.166 9.176 1.00 75.11 C ATOM 1278 C ALA A 86 -0.302 -10.736 10.609 1.00 3.52 C ATOM 1279 O ALA A 86 -1.264 -11.219 11.189 1.00 62.24 O ATOM 1280 CB ALA A 86 -0.610 -10.201 8.161 1.00 70.53 C ATOM 0 H ALA A 86 -1.441 -12.631 8.891 1.00 75.31 H new ATOM 0 HA ALA A 86 1.118 -11.132 9.050 1.00 75.11 H new ATOM 0 HB1 ALA A 86 -0.262 -9.186 8.352 1.00 70.53 H new ATOM 0 HB2 ALA A 86 -0.330 -10.496 7.150 1.00 70.53 H new ATOM 0 HB3 ALA A 86 -1.695 -10.238 8.263 1.00 70.53 H new ATOM 1286 N GLU A 87 0.506 -9.844 11.182 1.00 3.11 N ATOM 1287 CA GLU A 87 0.255 -9.270 12.518 1.00 34.03 C ATOM 1288 C GLU A 87 0.239 -7.734 12.435 1.00 42.13 C ATOM 1289 O GLU A 87 1.146 -7.136 11.855 1.00 3.32 O ATOM 1290 CB GLU A 87 1.339 -9.741 13.525 1.00 15.10 C ATOM 1291 CG GLU A 87 1.090 -9.309 14.985 1.00 1.45 C ATOM 1292 CD GLU A 87 2.237 -9.700 15.930 1.00 23.45 C ATOM 1293 OE1 GLU A 87 2.278 -10.859 16.395 1.00 20.44 O ATOM 1294 OE2 GLU A 87 3.119 -8.850 16.194 1.00 65.01 O ATOM 0 H GLU A 87 1.355 -9.494 10.738 1.00 3.11 H new ATOM 0 HA GLU A 87 -0.717 -9.617 12.870 1.00 34.03 H new ATOM 0 HB2 GLU A 87 1.403 -10.828 13.488 1.00 15.10 H new ATOM 0 HB3 GLU A 87 2.306 -9.354 13.205 1.00 15.10 H new ATOM 0 HG2 GLU A 87 0.950 -8.229 15.020 1.00 1.45 H new ATOM 0 HG3 GLU A 87 0.164 -9.762 15.339 1.00 1.45 H new ATOM 1301 N ILE A 88 -0.807 -7.116 13.006 1.00 52.32 N ATOM 1302 CA ILE A 88 -0.934 -5.649 13.097 1.00 51.23 C ATOM 1303 C ILE A 88 0.110 -5.097 14.101 1.00 23.43 C ATOM 1304 O ILE A 88 -0.063 -5.230 15.319 1.00 33.14 O ATOM 1305 CB ILE A 88 -2.385 -5.211 13.555 1.00 23.15 C ATOM 1306 CG1 ILE A 88 -3.501 -5.896 12.697 1.00 4.30 C ATOM 1307 CG2 ILE A 88 -2.542 -3.665 13.542 1.00 25.00 C ATOM 1308 CD1 ILE A 88 -3.536 -5.511 11.225 1.00 52.44 C ATOM 0 H ILE A 88 -1.592 -7.619 13.419 1.00 52.32 H new ATOM 0 HA ILE A 88 -0.756 -5.238 12.103 1.00 51.23 H new ATOM 0 HB ILE A 88 -2.510 -5.552 14.583 1.00 23.15 H new ATOM 0 HG12 ILE A 88 -3.375 -6.976 12.767 1.00 4.30 H new ATOM 0 HG13 ILE A 88 -4.469 -5.659 13.138 1.00 4.30 H new ATOM 0 HG21 ILE A 88 -3.550 -3.399 13.862 1.00 25.00 H new ATOM 0 HG22 ILE A 88 -1.816 -3.220 14.222 1.00 25.00 H new ATOM 0 HG23 ILE A 88 -2.371 -3.290 12.533 1.00 25.00 H new ATOM 0 HD11 ILE A 88 -4.347 -6.044 10.729 1.00 52.44 H new ATOM 0 HD12 ILE A 88 -3.699 -4.437 11.134 1.00 52.44 H new ATOM 0 HD13 ILE A 88 -2.588 -5.775 10.757 1.00 52.44 H new ATOM 1320 N ASP A 89 1.212 -4.536 13.585 1.00 51.22 N ATOM 1321 CA ASP A 89 2.225 -3.836 14.414 1.00 22.23 C ATOM 1322 C ASP A 89 1.657 -2.501 14.942 1.00 73.25 C ATOM 1323 O ASP A 89 1.968 -2.066 16.059 1.00 44.22 O ATOM 1324 CB ASP A 89 3.497 -3.559 13.579 1.00 34.43 C ATOM 1325 CG ASP A 89 4.090 -4.834 12.972 1.00 33.44 C ATOM 1326 OD1 ASP A 89 3.633 -5.254 11.898 1.00 53.41 O ATOM 1327 OD2 ASP A 89 5.021 -5.423 13.569 1.00 31.43 O ATOM 0 H ASP A 89 1.433 -4.550 12.589 1.00 51.22 H new ATOM 0 HA ASP A 89 2.480 -4.475 15.259 1.00 22.23 H new ATOM 0 HB2 ASP A 89 3.257 -2.858 12.780 1.00 34.43 H new ATOM 0 HB3 ASP A 89 4.245 -3.079 14.211 1.00 34.43 H new ATOM 1332 N SER A 90 0.795 -1.893 14.114 1.00 41.31 N ATOM 1333 CA SER A 90 0.207 -0.567 14.357 1.00 20.01 C ATOM 1334 C SER A 90 -0.935 -0.309 13.354 1.00 1.32 C ATOM 1335 O SER A 90 -0.908 -0.816 12.224 1.00 31.33 O ATOM 1336 CB SER A 90 1.283 0.542 14.230 1.00 2.14 C ATOM 1337 OG SER A 90 0.725 1.843 14.384 1.00 61.03 O ATOM 0 H SER A 90 0.481 -2.317 13.241 1.00 41.31 H new ATOM 0 HA SER A 90 -0.192 -0.546 15.371 1.00 20.01 H new ATOM 0 HB2 SER A 90 2.055 0.387 14.983 1.00 2.14 H new ATOM 0 HB3 SER A 90 1.768 0.468 13.257 1.00 2.14 H new ATOM 0 HG SER A 90 1.433 2.515 14.299 1.00 61.03 H new ATOM 1343 N ALA A 91 -1.933 0.486 13.770 1.00 70.04 N ATOM 1344 CA ALA A 91 -3.026 0.930 12.883 1.00 74.14 C ATOM 1345 C ALA A 91 -2.813 2.421 12.551 1.00 54.52 C ATOM 1346 O ALA A 91 -2.677 3.252 13.455 1.00 25.03 O ATOM 1347 CB ALA A 91 -4.392 0.698 13.549 1.00 33.55 C ATOM 0 H ALA A 91 -2.008 0.839 14.724 1.00 70.04 H new ATOM 0 HA ALA A 91 -3.015 0.350 11.960 1.00 74.14 H new ATOM 0 HB1 ALA A 91 -5.185 1.032 12.879 1.00 33.55 H new ATOM 0 HB2 ALA A 91 -4.518 -0.364 13.760 1.00 33.55 H new ATOM 0 HB3 ALA A 91 -4.443 1.262 14.481 1.00 33.55 H new ATOM 1353 N GLU A 92 -2.837 2.750 11.260 1.00 40.43 N ATOM 1354 CA GLU A 92 -2.427 4.075 10.742 1.00 72.13 C ATOM 1355 C GLU A 92 -3.622 4.840 10.131 1.00 32.04 C ATOM 1356 O GLU A 92 -4.313 4.317 9.264 1.00 13.20 O ATOM 1357 CB GLU A 92 -1.313 3.859 9.670 1.00 41.10 C ATOM 1358 CG GLU A 92 -0.759 5.139 9.006 1.00 34.31 C ATOM 1359 CD GLU A 92 0.011 6.057 9.970 1.00 13.30 C ATOM 1360 OE1 GLU A 92 1.235 5.861 10.140 1.00 53.55 O ATOM 1361 OE2 GLU A 92 -0.602 6.969 10.568 1.00 44.52 O ATOM 0 H GLU A 92 -3.142 2.106 10.530 1.00 40.43 H new ATOM 0 HA GLU A 92 -2.048 4.680 11.566 1.00 72.13 H new ATOM 0 HB2 GLU A 92 -0.484 3.327 10.137 1.00 41.10 H new ATOM 0 HB3 GLU A 92 -1.708 3.210 8.889 1.00 41.10 H new ATOM 0 HG2 GLU A 92 -0.100 4.855 8.186 1.00 34.31 H new ATOM 0 HG3 GLU A 92 -1.587 5.698 8.571 1.00 34.31 H new ATOM 1368 N LYS A 93 -3.870 6.076 10.594 1.00 30.14 N ATOM 1369 CA LYS A 93 -4.843 6.985 9.946 1.00 52.40 C ATOM 1370 C LYS A 93 -4.106 7.899 8.944 1.00 75.02 C ATOM 1371 O LYS A 93 -3.526 8.925 9.321 1.00 70.14 O ATOM 1372 CB LYS A 93 -5.621 7.822 11.006 1.00 33.00 C ATOM 1373 CG LYS A 93 -6.591 7.002 11.882 1.00 73.00 C ATOM 1374 CD LYS A 93 -7.730 6.347 11.063 1.00 21.14 C ATOM 1375 CE LYS A 93 -8.699 5.544 11.946 1.00 71.14 C ATOM 1376 NZ LYS A 93 -9.357 6.386 12.983 1.00 42.41 N ATOM 0 H LYS A 93 -3.412 6.473 11.415 1.00 30.14 H new ATOM 0 HA LYS A 93 -5.578 6.389 9.404 1.00 52.40 H new ATOM 0 HB2 LYS A 93 -4.902 8.323 11.654 1.00 33.00 H new ATOM 0 HB3 LYS A 93 -6.185 8.601 10.493 1.00 33.00 H new ATOM 0 HG2 LYS A 93 -6.033 6.226 12.405 1.00 73.00 H new ATOM 0 HG3 LYS A 93 -7.024 7.651 12.643 1.00 73.00 H new ATOM 0 HD2 LYS A 93 -8.283 7.121 10.532 1.00 21.14 H new ATOM 0 HD3 LYS A 93 -7.299 5.688 10.309 1.00 21.14 H new ATOM 0 HE2 LYS A 93 -9.462 5.085 11.318 1.00 71.14 H new ATOM 0 HE3 LYS A 93 -8.156 4.733 12.432 1.00 71.14 H new ATOM 0 HZ1 LYS A 93 -10.108 5.838 13.450 1.00 42.41 H new ATOM 0 HZ2 LYS A 93 -8.653 6.680 13.690 1.00 42.41 H new ATOM 0 HZ3 LYS A 93 -9.770 7.229 12.535 1.00 42.41 H new ATOM 1390 N THR A 94 -4.097 7.484 7.670 1.00 54.03 N ATOM 1391 CA THR A 94 -3.491 8.250 6.560 1.00 63.41 C ATOM 1392 C THR A 94 -4.409 8.226 5.319 1.00 42.34 C ATOM 1393 O THR A 94 -5.213 7.299 5.150 1.00 43.53 O ATOM 1394 CB THR A 94 -2.068 7.710 6.188 1.00 74.13 C ATOM 1395 OG1 THR A 94 -1.470 8.536 5.169 1.00 1.21 O ATOM 1396 CG2 THR A 94 -2.104 6.245 5.710 1.00 31.43 C ATOM 0 H THR A 94 -4.512 6.601 7.373 1.00 54.03 H new ATOM 0 HA THR A 94 -3.378 9.279 6.900 1.00 63.41 H new ATOM 0 HB THR A 94 -1.466 7.748 7.096 1.00 74.13 H new ATOM 0 HG1 THR A 94 -0.581 8.189 4.947 1.00 1.21 H new ATOM 0 HG21 THR A 94 -1.094 5.918 5.464 1.00 31.43 H new ATOM 0 HG22 THR A 94 -2.508 5.614 6.502 1.00 31.43 H new ATOM 0 HG23 THR A 94 -2.736 6.166 4.825 1.00 31.43 H new ATOM 1404 N THR A 95 -4.293 9.246 4.461 1.00 4.35 N ATOM 1405 CA THR A 95 -5.060 9.309 3.200 1.00 51.25 C ATOM 1406 C THR A 95 -4.297 8.552 2.095 1.00 62.31 C ATOM 1407 O THR A 95 -3.128 8.852 1.817 1.00 74.04 O ATOM 1408 CB THR A 95 -5.336 10.781 2.759 1.00 61.30 C ATOM 1409 OG1 THR A 95 -5.949 11.503 3.844 1.00 42.23 O ATOM 1410 CG2 THR A 95 -6.262 10.865 1.525 1.00 23.25 C ATOM 0 H THR A 95 -3.675 10.043 4.613 1.00 4.35 H new ATOM 0 HA THR A 95 -6.028 8.836 3.368 1.00 51.25 H new ATOM 0 HB THR A 95 -4.375 11.220 2.490 1.00 61.30 H new ATOM 0 HG1 THR A 95 -6.120 12.427 3.567 1.00 42.23 H new ATOM 0 HG21 THR A 95 -6.422 11.910 1.260 1.00 23.25 H new ATOM 0 HG22 THR A 95 -5.799 10.345 0.686 1.00 23.25 H new ATOM 0 HG23 THR A 95 -7.220 10.399 1.756 1.00 23.25 H new ATOM 1418 N VAL A 96 -4.971 7.587 1.454 1.00 52.54 N ATOM 1419 CA VAL A 96 -4.345 6.665 0.488 1.00 13.12 C ATOM 1420 C VAL A 96 -4.921 6.905 -0.924 1.00 30.32 C ATOM 1421 O VAL A 96 -6.130 7.068 -1.099 1.00 34.15 O ATOM 1422 CB VAL A 96 -4.516 5.156 0.913 1.00 52.54 C ATOM 1423 CG1 VAL A 96 -3.647 4.823 2.152 1.00 10.12 C ATOM 1424 CG2 VAL A 96 -6.004 4.798 1.168 1.00 14.22 C ATOM 0 H VAL A 96 -5.968 7.421 1.589 1.00 52.54 H new ATOM 0 HA VAL A 96 -3.275 6.873 0.476 1.00 13.12 H new ATOM 0 HB VAL A 96 -4.169 4.543 0.081 1.00 52.54 H new ATOM 0 HG11 VAL A 96 -3.785 3.776 2.422 1.00 10.12 H new ATOM 0 HG12 VAL A 96 -2.597 5.002 1.919 1.00 10.12 H new ATOM 0 HG13 VAL A 96 -3.947 5.456 2.987 1.00 10.12 H new ATOM 0 HG21 VAL A 96 -6.082 3.750 1.459 1.00 14.22 H new ATOM 0 HG22 VAL A 96 -6.398 5.426 1.967 1.00 14.22 H new ATOM 0 HG23 VAL A 96 -6.580 4.966 0.258 1.00 14.22 H new ATOM 1434 N TYR A 97 -4.035 6.959 -1.923 1.00 4.50 N ATOM 1435 CA TYR A 97 -4.395 7.299 -3.308 1.00 4.11 C ATOM 1436 C TYR A 97 -4.141 6.130 -4.274 1.00 60.33 C ATOM 1437 O TYR A 97 -3.173 5.374 -4.126 1.00 43.44 O ATOM 1438 CB TYR A 97 -3.588 8.545 -3.768 1.00 45.41 C ATOM 1439 CG TYR A 97 -3.825 9.786 -2.892 1.00 53.41 C ATOM 1440 CD1 TYR A 97 -4.899 10.644 -3.134 1.00 32.11 C ATOM 1441 CD2 TYR A 97 -2.996 10.080 -1.804 1.00 21.32 C ATOM 1442 CE1 TYR A 97 -5.134 11.746 -2.335 1.00 2.31 C ATOM 1443 CE2 TYR A 97 -3.234 11.180 -0.999 1.00 42.34 C ATOM 1444 CZ TYR A 97 -4.301 12.013 -1.269 1.00 54.44 C ATOM 1445 OH TYR A 97 -4.537 13.121 -0.472 1.00 55.15 O ATOM 0 H TYR A 97 -3.041 6.767 -1.796 1.00 4.50 H new ATOM 0 HA TYR A 97 -5.463 7.517 -3.328 1.00 4.11 H new ATOM 0 HB2 TYR A 97 -2.525 8.303 -3.761 1.00 45.41 H new ATOM 0 HB3 TYR A 97 -3.855 8.781 -4.798 1.00 45.41 H new ATOM 0 HD1 TYR A 97 -5.560 10.442 -3.964 1.00 32.11 H new ATOM 0 HD2 TYR A 97 -2.155 9.437 -1.589 1.00 21.32 H new ATOM 0 HE1 TYR A 97 -5.969 12.398 -2.545 1.00 2.31 H new ATOM 0 HE2 TYR A 97 -2.586 11.387 -0.160 1.00 42.34 H new ATOM 0 HH TYR A 97 -3.684 13.545 -0.241 1.00 55.15 H new ATOM 1455 N MET A 98 -5.042 5.993 -5.251 1.00 33.32 N ATOM 1456 CA MET A 98 -4.816 5.176 -6.446 1.00 61.34 C ATOM 1457 C MET A 98 -4.164 6.090 -7.504 1.00 71.11 C ATOM 1458 O MET A 98 -4.767 7.088 -7.909 1.00 75.22 O ATOM 1459 CB MET A 98 -6.159 4.597 -6.964 1.00 11.51 C ATOM 1460 CG MET A 98 -6.029 3.728 -8.221 1.00 60.13 C ATOM 1461 SD MET A 98 -7.610 3.045 -8.777 1.00 25.02 S ATOM 1462 CE MET A 98 -8.535 4.521 -9.213 1.00 74.30 C ATOM 0 H MET A 98 -5.954 6.449 -5.235 1.00 33.32 H new ATOM 0 HA MET A 98 -4.166 4.330 -6.224 1.00 61.34 H new ATOM 0 HB2 MET A 98 -6.615 4.003 -6.172 1.00 11.51 H new ATOM 0 HB3 MET A 98 -6.839 5.422 -7.176 1.00 11.51 H new ATOM 0 HG2 MET A 98 -5.595 4.323 -9.024 1.00 60.13 H new ATOM 0 HG3 MET A 98 -5.337 2.910 -8.020 1.00 60.13 H new ATOM 0 HE1 MET A 98 -9.483 4.235 -9.669 1.00 74.30 H new ATOM 0 HE2 MET A 98 -8.727 5.109 -8.315 1.00 74.30 H new ATOM 0 HE3 MET A 98 -7.958 5.117 -9.920 1.00 74.30 H new ATOM 1472 N VAL A 99 -2.911 5.789 -7.896 1.00 62.13 N ATOM 1473 CA VAL A 99 -2.145 6.626 -8.854 1.00 40.34 C ATOM 1474 C VAL A 99 -1.784 5.853 -10.144 1.00 12.21 C ATOM 1475 O VAL A 99 -1.666 4.625 -10.156 1.00 15.34 O ATOM 1476 CB VAL A 99 -0.842 7.251 -8.207 1.00 33.24 C ATOM 1477 CG1 VAL A 99 -1.203 8.282 -7.103 1.00 14.44 C ATOM 1478 CG2 VAL A 99 0.117 6.154 -7.663 1.00 25.10 C ATOM 0 H VAL A 99 -2.402 4.970 -7.565 1.00 62.13 H new ATOM 0 HA VAL A 99 -2.809 7.447 -9.124 1.00 40.34 H new ATOM 0 HB VAL A 99 -0.310 7.780 -8.998 1.00 33.24 H new ATOM 0 HG11 VAL A 99 -0.288 8.694 -6.677 1.00 14.44 H new ATOM 0 HG12 VAL A 99 -1.796 9.087 -7.537 1.00 14.44 H new ATOM 0 HG13 VAL A 99 -1.778 7.789 -6.319 1.00 14.44 H new ATOM 0 HG21 VAL A 99 0.998 6.625 -7.227 1.00 25.10 H new ATOM 0 HG22 VAL A 99 -0.396 5.568 -6.900 1.00 25.10 H new ATOM 0 HG23 VAL A 99 0.421 5.499 -8.480 1.00 25.10 H new ATOM 1488 N ASP A 100 -1.627 6.619 -11.227 1.00 61.44 N ATOM 1489 CA ASP A 100 -1.289 6.138 -12.573 1.00 61.14 C ATOM 1490 C ASP A 100 0.027 6.828 -12.993 1.00 74.11 C ATOM 1491 O ASP A 100 0.088 8.060 -13.019 1.00 42.11 O ATOM 1492 CB ASP A 100 -2.465 6.530 -13.508 1.00 71.42 C ATOM 1493 CG ASP A 100 -2.366 5.983 -14.936 1.00 34.15 C ATOM 1494 OD1 ASP A 100 -1.628 6.560 -15.760 1.00 13.03 O ATOM 1495 OD2 ASP A 100 -3.059 5.002 -15.252 1.00 0.05 O ATOM 0 H ASP A 100 -1.736 7.633 -11.190 1.00 61.44 H new ATOM 0 HA ASP A 100 -1.147 5.058 -12.617 1.00 61.14 H new ATOM 0 HB2 ASP A 100 -3.396 6.178 -13.064 1.00 71.42 H new ATOM 0 HB3 ASP A 100 -2.526 7.617 -13.555 1.00 71.42 H new ATOM 1500 N TYR A 101 1.075 6.055 -13.303 1.00 50.14 N ATOM 1501 CA TYR A 101 2.429 6.614 -13.541 1.00 32.22 C ATOM 1502 C TYR A 101 3.260 5.734 -14.494 1.00 22.02 C ATOM 1503 O TYR A 101 2.799 4.691 -14.964 1.00 25.51 O ATOM 1504 CB TYR A 101 3.174 6.806 -12.186 1.00 13.23 C ATOM 1505 CG TYR A 101 3.365 5.526 -11.363 1.00 13.22 C ATOM 1506 CD1 TYR A 101 2.380 5.092 -10.480 1.00 10.53 C ATOM 1507 CD2 TYR A 101 4.530 4.760 -11.465 1.00 74.10 C ATOM 1508 CE1 TYR A 101 2.543 3.951 -9.739 1.00 32.52 C ATOM 1509 CE2 TYR A 101 4.691 3.612 -10.722 1.00 31.41 C ATOM 1510 CZ TYR A 101 3.696 3.212 -9.857 1.00 41.33 C ATOM 1511 OH TYR A 101 3.839 2.052 -9.120 1.00 21.54 O ATOM 0 H TYR A 101 1.021 5.041 -13.397 1.00 50.14 H new ATOM 0 HA TYR A 101 2.305 7.583 -14.024 1.00 32.22 H new ATOM 0 HB2 TYR A 101 4.153 7.241 -12.386 1.00 13.23 H new ATOM 0 HB3 TYR A 101 2.622 7.528 -11.584 1.00 13.23 H new ATOM 0 HD1 TYR A 101 1.471 5.665 -10.377 1.00 10.53 H new ATOM 0 HD2 TYR A 101 5.316 5.073 -12.137 1.00 74.10 H new ATOM 0 HE1 TYR A 101 1.765 3.632 -9.062 1.00 32.52 H new ATOM 0 HE2 TYR A 101 5.594 3.027 -10.817 1.00 31.41 H new ATOM 0 HH TYR A 101 4.655 2.106 -8.580 1.00 21.54 H new ATOM 1521 N THR A 102 4.491 6.190 -14.776 1.00 4.24 N ATOM 1522 CA THR A 102 5.496 5.422 -15.538 1.00 2.41 C ATOM 1523 C THR A 102 6.736 5.169 -14.653 1.00 25.21 C ATOM 1524 O THR A 102 7.386 6.119 -14.205 1.00 42.21 O ATOM 1525 CB THR A 102 5.928 6.171 -16.847 1.00 25.03 C ATOM 1526 OG1 THR A 102 4.782 6.387 -17.687 1.00 1.43 O ATOM 1527 CG2 THR A 102 7.000 5.402 -17.647 1.00 75.31 C ATOM 0 H THR A 102 4.822 7.109 -14.481 1.00 4.24 H new ATOM 0 HA THR A 102 5.044 4.474 -15.828 1.00 2.41 H new ATOM 0 HB THR A 102 6.363 7.121 -16.538 1.00 25.03 H new ATOM 0 HG1 THR A 102 5.058 6.856 -18.502 1.00 1.43 H new ATOM 0 HG21 THR A 102 7.261 5.967 -18.542 1.00 75.31 H new ATOM 0 HG22 THR A 102 7.889 5.269 -17.030 1.00 75.31 H new ATOM 0 HG23 THR A 102 6.609 4.426 -17.935 1.00 75.31 H new ATOM 1535 N SER A 103 7.029 3.881 -14.378 1.00 24.40 N ATOM 1536 CA SER A 103 8.261 3.456 -13.669 1.00 31.43 C ATOM 1537 C SER A 103 9.517 3.875 -14.472 1.00 1.10 C ATOM 1538 O SER A 103 9.682 3.457 -15.616 1.00 75.32 O ATOM 1539 CB SER A 103 8.256 1.917 -13.459 1.00 22.22 C ATOM 1540 OG SER A 103 9.441 1.461 -12.810 1.00 4.21 O ATOM 0 H SER A 103 6.421 3.105 -14.639 1.00 24.40 H new ATOM 0 HA SER A 103 8.286 3.946 -12.696 1.00 31.43 H new ATOM 0 HB2 SER A 103 7.386 1.635 -12.865 1.00 22.22 H new ATOM 0 HB3 SER A 103 8.157 1.420 -14.424 1.00 22.22 H new ATOM 0 HG SER A 103 9.398 0.489 -12.695 1.00 4.21 H new ATOM 1546 N THR A 104 10.372 4.717 -13.858 1.00 53.41 N ATOM 1547 CA THR A 104 11.598 5.267 -14.500 1.00 15.03 C ATOM 1548 C THR A 104 12.593 4.167 -14.957 1.00 2.41 C ATOM 1549 O THR A 104 13.110 4.218 -16.077 1.00 52.43 O ATOM 1550 CB THR A 104 12.347 6.257 -13.538 1.00 63.24 C ATOM 1551 OG1 THR A 104 12.690 5.587 -12.308 1.00 50.51 O ATOM 1552 CG2 THR A 104 11.505 7.503 -13.217 1.00 20.42 C ATOM 0 H THR A 104 10.237 5.040 -12.900 1.00 53.41 H new ATOM 0 HA THR A 104 11.249 5.797 -15.386 1.00 15.03 H new ATOM 0 HB THR A 104 13.250 6.584 -14.054 1.00 63.24 H new ATOM 0 HG1 THR A 104 11.911 5.095 -11.975 1.00 50.51 H new ATOM 0 HG21 THR A 104 12.064 8.158 -12.549 1.00 20.42 H new ATOM 0 HG22 THR A 104 11.277 8.036 -14.140 1.00 20.42 H new ATOM 0 HG23 THR A 104 10.576 7.200 -12.734 1.00 20.42 H new ATOM 1560 N THR A 105 12.840 3.172 -14.086 1.00 24.10 N ATOM 1561 CA THR A 105 13.815 2.083 -14.353 1.00 34.23 C ATOM 1562 C THR A 105 13.385 1.208 -15.560 1.00 44.04 C ATOM 1563 O THR A 105 14.157 1.014 -16.506 1.00 42.03 O ATOM 1564 CB THR A 105 14.011 1.180 -13.088 1.00 45.15 C ATOM 1565 OG1 THR A 105 14.497 1.978 -11.997 1.00 71.53 O ATOM 1566 CG2 THR A 105 14.983 0.007 -13.324 1.00 40.13 C ATOM 0 H THR A 105 12.376 3.094 -13.181 1.00 24.10 H new ATOM 0 HA THR A 105 14.763 2.561 -14.599 1.00 34.23 H new ATOM 0 HB THR A 105 13.036 0.751 -12.856 1.00 45.15 H new ATOM 0 HG1 THR A 105 14.617 1.412 -11.206 1.00 71.53 H new ATOM 0 HG21 THR A 105 15.075 -0.579 -12.410 1.00 40.13 H new ATOM 0 HG22 THR A 105 14.601 -0.627 -14.124 1.00 40.13 H new ATOM 0 HG23 THR A 105 15.962 0.396 -13.605 1.00 40.13 H new ATOM 1574 N SER A 106 12.140 0.702 -15.517 1.00 14.22 N ATOM 1575 CA SER A 106 11.591 -0.196 -16.567 1.00 21.03 C ATOM 1576 C SER A 106 11.130 0.582 -17.824 1.00 22.02 C ATOM 1577 O SER A 106 11.060 0.015 -18.922 1.00 44.24 O ATOM 1578 CB SER A 106 10.403 -1.010 -15.999 1.00 35.11 C ATOM 1579 OG SER A 106 10.788 -1.755 -14.853 1.00 13.34 O ATOM 0 H SER A 106 11.484 0.898 -14.761 1.00 14.22 H new ATOM 0 HA SER A 106 12.395 -0.867 -16.869 1.00 21.03 H new ATOM 0 HB2 SER A 106 9.588 -0.335 -15.739 1.00 35.11 H new ATOM 0 HB3 SER A 106 10.024 -1.687 -16.765 1.00 35.11 H new ATOM 0 HG SER A 106 10.017 -2.257 -14.515 1.00 13.34 H new ATOM 1585 N GLY A 107 10.806 1.882 -17.640 1.00 11.13 N ATOM 1586 CA GLY A 107 10.215 2.715 -18.708 1.00 62.24 C ATOM 1587 C GLY A 107 8.767 2.334 -19.054 1.00 44.15 C ATOM 1588 O GLY A 107 8.254 2.713 -20.110 1.00 75.25 O ATOM 0 H GLY A 107 10.945 2.376 -16.759 1.00 11.13 H new ATOM 0 HA2 GLY A 107 10.243 3.760 -18.400 1.00 62.24 H new ATOM 0 HA3 GLY A 107 10.829 2.630 -19.605 1.00 62.24 H new ATOM 1592 N GLU A 108 8.108 1.582 -18.148 1.00 44.23 N ATOM 1593 CA GLU A 108 6.744 1.038 -18.360 1.00 42.21 C ATOM 1594 C GLU A 108 5.698 1.761 -17.480 1.00 65.15 C ATOM 1595 O GLU A 108 5.975 2.113 -16.331 1.00 63.03 O ATOM 1596 CB GLU A 108 6.719 -0.496 -18.080 1.00 44.50 C ATOM 1597 CG GLU A 108 5.322 -1.146 -18.221 1.00 2.13 C ATOM 1598 CD GLU A 108 5.334 -2.678 -18.130 1.00 1.24 C ATOM 1599 OE1 GLU A 108 5.422 -3.218 -17.010 1.00 4.04 O ATOM 1600 OE2 GLU A 108 5.245 -3.347 -19.184 1.00 73.44 O ATOM 0 H GLU A 108 8.507 1.332 -17.243 1.00 44.23 H new ATOM 0 HA GLU A 108 6.479 1.213 -19.403 1.00 42.21 H new ATOM 0 HB2 GLU A 108 7.408 -0.990 -18.766 1.00 44.50 H new ATOM 0 HB3 GLU A 108 7.090 -0.675 -17.071 1.00 44.50 H new ATOM 0 HG2 GLU A 108 4.669 -0.751 -17.443 1.00 2.13 H new ATOM 0 HG3 GLU A 108 4.891 -0.853 -19.178 1.00 2.13 H new ATOM 1607 N LYS A 109 4.486 1.939 -18.039 1.00 15.35 N ATOM 1608 CA LYS A 109 3.349 2.579 -17.355 1.00 61.15 C ATOM 1609 C LYS A 109 2.683 1.609 -16.337 1.00 34.22 C ATOM 1610 O LYS A 109 1.972 0.671 -16.723 1.00 12.12 O ATOM 1611 CB LYS A 109 2.314 3.071 -18.409 1.00 4.03 C ATOM 1612 CG LYS A 109 2.852 4.151 -19.375 1.00 5.11 C ATOM 1613 CD LYS A 109 1.801 4.596 -20.423 1.00 1.32 C ATOM 1614 CE LYS A 109 2.297 5.751 -21.311 1.00 73.13 C ATOM 1615 NZ LYS A 109 3.518 5.388 -22.078 1.00 14.25 N ATOM 0 H LYS A 109 4.268 1.639 -18.989 1.00 15.35 H new ATOM 0 HA LYS A 109 3.720 3.436 -16.793 1.00 61.15 H new ATOM 0 HB2 LYS A 109 1.973 2.216 -18.993 1.00 4.03 H new ATOM 0 HB3 LYS A 109 1.443 3.468 -17.888 1.00 4.03 H new ATOM 0 HG2 LYS A 109 3.175 5.019 -18.799 1.00 5.11 H new ATOM 0 HG3 LYS A 109 3.732 3.765 -19.890 1.00 5.11 H new ATOM 0 HD2 LYS A 109 1.540 3.746 -21.053 1.00 1.32 H new ATOM 0 HD3 LYS A 109 0.890 4.904 -19.909 1.00 1.32 H new ATOM 0 HE2 LYS A 109 1.507 6.038 -22.005 1.00 73.13 H new ATOM 0 HE3 LYS A 109 2.507 6.621 -20.689 1.00 73.13 H new ATOM 0 HZ1 LYS A 109 3.776 6.171 -22.712 1.00 14.25 H new ATOM 0 HZ2 LYS A 109 4.301 5.205 -21.418 1.00 14.25 H new ATOM 0 HZ3 LYS A 109 3.333 4.534 -22.641 1.00 14.25 H new ATOM 1629 N VAL A 110 2.937 1.843 -15.036 1.00 13.22 N ATOM 1630 CA VAL A 110 2.270 1.111 -13.934 1.00 53.03 C ATOM 1631 C VAL A 110 0.990 1.889 -13.538 1.00 1.35 C ATOM 1632 O VAL A 110 1.059 2.990 -12.982 1.00 44.42 O ATOM 1633 CB VAL A 110 3.208 0.929 -12.687 1.00 63.14 C ATOM 1634 CG1 VAL A 110 2.479 0.206 -11.519 1.00 62.53 C ATOM 1635 CG2 VAL A 110 4.521 0.199 -13.074 1.00 75.52 C ATOM 0 H VAL A 110 3.608 2.542 -14.716 1.00 13.22 H new ATOM 0 HA VAL A 110 2.018 0.109 -14.282 1.00 53.03 H new ATOM 0 HB VAL A 110 3.475 1.925 -12.332 1.00 63.14 H new ATOM 0 HG11 VAL A 110 3.161 0.099 -10.675 1.00 62.53 H new ATOM 0 HG12 VAL A 110 1.612 0.792 -11.213 1.00 62.53 H new ATOM 0 HG13 VAL A 110 2.152 -0.780 -11.849 1.00 62.53 H new ATOM 0 HG21 VAL A 110 5.149 0.088 -12.190 1.00 75.52 H new ATOM 0 HG22 VAL A 110 4.285 -0.786 -13.477 1.00 75.52 H new ATOM 0 HG23 VAL A 110 5.053 0.781 -13.827 1.00 75.52 H new ATOM 1645 N LYS A 111 -0.176 1.298 -13.847 1.00 31.10 N ATOM 1646 CA LYS A 111 -1.483 1.992 -13.812 1.00 14.52 C ATOM 1647 C LYS A 111 -2.399 1.434 -12.697 1.00 22.04 C ATOM 1648 O LYS A 111 -2.365 0.233 -12.407 1.00 71.35 O ATOM 1649 CB LYS A 111 -2.151 1.849 -15.206 1.00 52.22 C ATOM 1650 CG LYS A 111 -1.266 2.386 -16.360 1.00 10.42 C ATOM 1651 CD LYS A 111 -1.973 2.415 -17.728 1.00 54.23 C ATOM 1652 CE LYS A 111 -2.366 1.027 -18.259 1.00 31.12 C ATOM 1653 NZ LYS A 111 -2.932 1.108 -19.632 1.00 62.01 N ATOM 0 H LYS A 111 -0.243 0.320 -14.130 1.00 31.10 H new ATOM 0 HA LYS A 111 -1.324 3.046 -13.582 1.00 14.52 H new ATOM 0 HB2 LYS A 111 -2.378 0.798 -15.388 1.00 52.22 H new ATOM 0 HB3 LYS A 111 -3.100 2.384 -15.204 1.00 52.22 H new ATOM 0 HG2 LYS A 111 -0.935 3.394 -16.112 1.00 10.42 H new ATOM 0 HG3 LYS A 111 -0.372 1.767 -16.437 1.00 10.42 H new ATOM 0 HD2 LYS A 111 -2.870 3.030 -17.649 1.00 54.23 H new ATOM 0 HD3 LYS A 111 -1.318 2.898 -18.453 1.00 54.23 H new ATOM 0 HE2 LYS A 111 -1.491 0.377 -18.263 1.00 31.12 H new ATOM 0 HE3 LYS A 111 -3.097 0.574 -17.589 1.00 31.12 H new ATOM 0 HZ1 LYS A 111 -3.186 0.154 -19.959 1.00 62.01 H new ATOM 0 HZ2 LYS A 111 -3.781 1.709 -19.623 1.00 62.01 H new ATOM 0 HZ3 LYS A 111 -2.225 1.518 -20.275 1.00 62.01 H new ATOM 1667 N ASN A 112 -3.220 2.331 -12.093 1.00 64.40 N ATOM 1668 CA ASN A 112 -4.166 1.988 -10.984 1.00 0.34 C ATOM 1669 C ASN A 112 -3.459 1.356 -9.746 1.00 50.43 C ATOM 1670 O ASN A 112 -4.056 0.550 -9.016 1.00 32.10 O ATOM 1671 CB ASN A 112 -5.313 1.068 -11.505 1.00 41.33 C ATOM 1672 CG ASN A 112 -6.192 1.753 -12.547 1.00 52.01 C ATOM 1673 OD1 ASN A 112 -5.924 1.704 -13.741 1.00 12.32 O ATOM 1674 ND2 ASN A 112 -7.254 2.397 -12.102 1.00 13.24 N ATOM 0 H ASN A 112 -3.249 3.316 -12.357 1.00 64.40 H new ATOM 0 HA ASN A 112 -4.596 2.929 -10.639 1.00 0.34 H new ATOM 0 HB2 ASN A 112 -4.881 0.165 -11.937 1.00 41.33 H new ATOM 0 HB3 ASN A 112 -5.931 0.754 -10.664 1.00 41.33 H new ATOM 0 HD21 ASN A 112 -7.876 2.870 -12.758 1.00 13.24 H new ATOM 0 HD22 ASN A 112 -7.454 2.422 -11.102 1.00 13.24 H new ATOM 1681 N HIS A 113 -2.207 1.781 -9.494 1.00 31.21 N ATOM 1682 CA HIS A 113 -1.367 1.255 -8.393 1.00 64.21 C ATOM 1683 C HIS A 113 -1.953 1.575 -6.991 1.00 25.24 C ATOM 1684 O HIS A 113 -2.346 2.714 -6.707 1.00 64.35 O ATOM 1685 CB HIS A 113 0.068 1.808 -8.522 1.00 35.51 C ATOM 1686 CG HIS A 113 0.973 1.503 -7.345 1.00 33.15 C ATOM 1687 ND1 HIS A 113 1.347 0.218 -7.035 1.00 35.14 N ATOM 1688 CD2 HIS A 113 1.511 2.349 -6.426 1.00 75.10 C ATOM 1689 CE1 HIS A 113 2.090 0.310 -5.945 1.00 74.52 C ATOM 1690 NE2 HIS A 113 2.217 1.579 -5.539 1.00 51.23 N ATOM 0 H HIS A 113 -1.745 2.502 -10.048 1.00 31.21 H new ATOM 0 HA HIS A 113 -1.350 0.169 -8.483 1.00 64.21 H new ATOM 0 HB2 HIS A 113 0.520 1.400 -9.426 1.00 35.51 H new ATOM 0 HB3 HIS A 113 0.016 2.889 -8.652 1.00 35.51 H new ATOM 0 HD2 HIS A 113 1.402 3.423 -6.400 1.00 75.10 H new ATOM 0 HE1 HIS A 113 2.539 -0.535 -5.444 1.00 74.52 H new ATOM 0 HE2 HIS A 113 2.738 1.909 -4.727 1.00 51.23 H new ATOM 1698 N LYS A 114 -1.980 0.542 -6.125 1.00 71.22 N ATOM 1699 CA LYS A 114 -2.522 0.623 -4.750 1.00 31.13 C ATOM 1700 C LYS A 114 -1.565 -0.086 -3.735 1.00 32.51 C ATOM 1701 O LYS A 114 -1.098 -1.190 -4.013 1.00 41.34 O ATOM 1702 CB LYS A 114 -3.933 -0.042 -4.694 1.00 43.12 C ATOM 1703 CG LYS A 114 -5.030 0.672 -5.523 1.00 24.43 C ATOM 1704 CD LYS A 114 -6.397 -0.048 -5.438 1.00 11.22 C ATOM 1705 CE LYS A 114 -7.517 0.697 -6.191 1.00 50.23 C ATOM 1706 NZ LYS A 114 -8.821 -0.007 -6.079 1.00 41.10 N ATOM 0 H LYS A 114 -1.622 -0.383 -6.362 1.00 71.22 H new ATOM 0 HA LYS A 114 -2.605 1.674 -4.475 1.00 31.13 H new ATOM 0 HB2 LYS A 114 -3.847 -1.071 -5.044 1.00 43.12 H new ATOM 0 HB3 LYS A 114 -4.256 -0.085 -3.654 1.00 43.12 H new ATOM 0 HG2 LYS A 114 -5.140 1.697 -5.169 1.00 24.43 H new ATOM 0 HG3 LYS A 114 -4.716 0.727 -6.565 1.00 24.43 H new ATOM 0 HD2 LYS A 114 -6.298 -1.053 -5.847 1.00 11.22 H new ATOM 0 HD3 LYS A 114 -6.680 -0.156 -4.391 1.00 11.22 H new ATOM 0 HE2 LYS A 114 -7.614 1.707 -5.792 1.00 50.23 H new ATOM 0 HE3 LYS A 114 -7.246 0.794 -7.242 1.00 50.23 H new ATOM 0 HZ1 LYS A 114 -9.548 0.525 -6.598 1.00 41.10 H new ATOM 0 HZ2 LYS A 114 -8.736 -0.962 -6.483 1.00 41.10 H new ATOM 0 HZ3 LYS A 114 -9.093 -0.078 -5.078 1.00 41.10 H new ATOM 1720 N TRP A 115 -1.252 0.521 -2.557 1.00 1.34 N ATOM 1721 CA TRP A 115 -1.562 1.936 -2.208 1.00 12.30 C ATOM 1722 C TRP A 115 -0.287 2.793 -2.019 1.00 63.20 C ATOM 1723 O TRP A 115 0.796 2.286 -1.712 1.00 11.43 O ATOM 1724 CB TRP A 115 -2.412 2.002 -0.904 1.00 50.42 C ATOM 1725 CG TRP A 115 -3.765 1.349 -1.011 1.00 41.11 C ATOM 1726 CD1 TRP A 115 -4.135 0.122 -0.540 1.00 42.21 C ATOM 1727 CD2 TRP A 115 -4.923 1.900 -1.644 1.00 40.15 C ATOM 1728 NE1 TRP A 115 -5.450 -0.113 -0.838 1.00 14.35 N ATOM 1729 CE2 TRP A 115 -5.954 0.960 -1.513 1.00 11.42 C ATOM 1730 CE3 TRP A 115 -5.184 3.108 -2.304 1.00 24.12 C ATOM 1731 CZ2 TRP A 115 -7.228 1.179 -2.024 1.00 61.43 C ATOM 1732 CZ3 TRP A 115 -6.445 3.324 -2.811 1.00 42.21 C ATOM 1733 CH2 TRP A 115 -7.455 2.364 -2.662 1.00 0.41 C ATOM 0 H TRP A 115 -0.766 0.029 -1.807 1.00 1.34 H new ATOM 0 HA TRP A 115 -2.125 2.345 -3.047 1.00 12.30 H new ATOM 0 HB2 TRP A 115 -1.855 1.526 -0.097 1.00 50.42 H new ATOM 0 HB3 TRP A 115 -2.547 3.047 -0.625 1.00 50.42 H new ATOM 0 HD1 TRP A 115 -3.487 -0.561 -0.011 1.00 42.21 H new ATOM 0 HE1 TRP A 115 -5.970 -0.956 -0.594 1.00 14.35 H new ATOM 0 HE3 TRP A 115 -4.411 3.855 -2.413 1.00 24.12 H new ATOM 0 HZ2 TRP A 115 -8.008 0.440 -1.920 1.00 61.43 H new ATOM 0 HZ3 TRP A 115 -6.659 4.246 -3.331 1.00 42.21 H new ATOM 0 HH2 TRP A 115 -8.437 2.567 -3.062 1.00 0.41 H new ATOM 1744 N VAL A 116 -0.465 4.109 -2.215 1.00 43.25 N ATOM 1745 CA VAL A 116 0.514 5.160 -1.843 1.00 71.24 C ATOM 1746 C VAL A 116 -0.180 6.198 -0.939 1.00 64.41 C ATOM 1747 O VAL A 116 -1.406 6.271 -0.900 1.00 73.42 O ATOM 1748 CB VAL A 116 1.121 5.893 -3.100 1.00 54.41 C ATOM 1749 CG1 VAL A 116 2.018 4.949 -3.942 1.00 2.42 C ATOM 1750 CG2 VAL A 116 -0.003 6.526 -3.960 1.00 35.13 C ATOM 0 H VAL A 116 -1.309 4.487 -2.645 1.00 43.25 H new ATOM 0 HA VAL A 116 1.336 4.672 -1.319 1.00 71.24 H new ATOM 0 HB VAL A 116 1.763 6.696 -2.737 1.00 54.41 H new ATOM 0 HG11 VAL A 116 2.416 5.493 -4.798 1.00 2.42 H new ATOM 0 HG12 VAL A 116 2.842 4.586 -3.328 1.00 2.42 H new ATOM 0 HG13 VAL A 116 1.427 4.103 -4.293 1.00 2.42 H new ATOM 0 HG21 VAL A 116 0.437 7.027 -4.822 1.00 35.13 H new ATOM 0 HG22 VAL A 116 -0.683 5.746 -4.302 1.00 35.13 H new ATOM 0 HG23 VAL A 116 -0.554 7.251 -3.362 1.00 35.13 H new ATOM 1760 N THR A 117 0.600 6.986 -0.197 1.00 5.40 N ATOM 1761 CA THR A 117 0.060 8.091 0.648 1.00 43.13 C ATOM 1762 C THR A 117 0.598 9.459 0.200 1.00 40.42 C ATOM 1763 O THR A 117 1.600 9.530 -0.505 1.00 40.31 O ATOM 1764 CB THR A 117 0.382 7.871 2.161 1.00 50.44 C ATOM 1765 OG1 THR A 117 1.807 7.824 2.375 1.00 2.42 O ATOM 1766 CG2 THR A 117 -0.258 6.577 2.675 1.00 21.41 C ATOM 0 H THR A 117 1.615 6.891 -0.154 1.00 5.40 H new ATOM 0 HA THR A 117 -1.022 8.081 0.518 1.00 43.13 H new ATOM 0 HB THR A 117 -0.035 8.712 2.715 1.00 50.44 H new ATOM 0 HG1 THR A 117 1.990 7.687 3.328 1.00 2.42 H new ATOM 0 HG21 THR A 117 -0.019 6.447 3.730 1.00 21.41 H new ATOM 0 HG22 THR A 117 -1.340 6.632 2.552 1.00 21.41 H new ATOM 0 HG23 THR A 117 0.129 5.730 2.108 1.00 21.41 H new ATOM 1774 N GLU A 118 -0.073 10.548 0.633 1.00 54.53 N ATOM 1775 CA GLU A 118 0.364 11.936 0.335 1.00 10.41 C ATOM 1776 C GLU A 118 1.762 12.232 0.921 1.00 20.05 C ATOM 1777 O GLU A 118 2.563 12.937 0.312 1.00 31.02 O ATOM 1778 CB GLU A 118 -0.663 12.954 0.882 1.00 42.53 C ATOM 1779 CG GLU A 118 -0.310 14.435 0.610 1.00 64.32 C ATOM 1780 CD GLU A 118 -1.463 15.401 0.899 1.00 73.43 C ATOM 1781 OE1 GLU A 118 -2.529 15.240 0.279 1.00 61.44 O ATOM 1782 OE2 GLU A 118 -1.313 16.327 1.718 1.00 25.50 O ATOM 0 H GLU A 118 -0.924 10.495 1.193 1.00 54.53 H new ATOM 0 HA GLU A 118 0.426 12.034 -0.749 1.00 10.41 H new ATOM 0 HB2 GLU A 118 -1.637 12.740 0.442 1.00 42.53 H new ATOM 0 HB3 GLU A 118 -0.761 12.809 1.958 1.00 42.53 H new ATOM 0 HG2 GLU A 118 0.549 14.714 1.221 1.00 64.32 H new ATOM 0 HG3 GLU A 118 -0.009 14.543 -0.432 1.00 64.32 H new ATOM 1789 N ASP A 119 2.036 11.666 2.104 1.00 32.33 N ATOM 1790 CA ASP A 119 3.347 11.780 2.773 1.00 52.21 C ATOM 1791 C ASP A 119 4.454 11.045 1.956 1.00 14.41 C ATOM 1792 O ASP A 119 5.608 11.482 1.918 1.00 65.41 O ATOM 1793 CB ASP A 119 3.233 11.209 4.209 1.00 10.43 C ATOM 1794 CG ASP A 119 4.488 11.464 5.058 1.00 61.23 C ATOM 1795 OD1 ASP A 119 4.585 12.544 5.680 1.00 74.32 O ATOM 1796 OD2 ASP A 119 5.386 10.595 5.093 1.00 45.12 O ATOM 0 H ASP A 119 1.357 11.115 2.628 1.00 32.33 H new ATOM 0 HA ASP A 119 3.635 12.830 2.830 1.00 52.21 H new ATOM 0 HB2 ASP A 119 2.370 11.654 4.704 1.00 10.43 H new ATOM 0 HB3 ASP A 119 3.050 10.136 4.154 1.00 10.43 H new ATOM 1801 N GLU A 120 4.058 9.952 1.279 1.00 2.24 N ATOM 1802 CA GLU A 120 4.954 9.133 0.419 1.00 13.34 C ATOM 1803 C GLU A 120 5.090 9.749 -1.012 1.00 63.24 C ATOM 1804 O GLU A 120 5.948 9.345 -1.811 1.00 72.22 O ATOM 1805 CB GLU A 120 4.395 7.684 0.370 1.00 64.42 C ATOM 1806 CG GLU A 120 5.245 6.659 -0.403 1.00 62.30 C ATOM 1807 CD GLU A 120 4.806 5.214 -0.150 1.00 10.33 C ATOM 1808 OE1 GLU A 120 5.276 4.616 0.848 1.00 10.21 O ATOM 1809 OE2 GLU A 120 3.968 4.689 -0.913 1.00 54.22 O ATOM 0 H GLU A 120 3.100 9.603 1.309 1.00 2.24 H new ATOM 0 HA GLU A 120 5.958 9.119 0.842 1.00 13.34 H new ATOM 0 HB2 GLU A 120 4.273 7.328 1.393 1.00 64.42 H new ATOM 0 HB3 GLU A 120 3.402 7.714 -0.077 1.00 64.42 H new ATOM 0 HG2 GLU A 120 5.181 6.872 -1.470 1.00 62.30 H new ATOM 0 HG3 GLU A 120 6.291 6.772 -0.117 1.00 62.30 H new ATOM 1816 N LEU A 121 4.251 10.758 -1.310 1.00 23.10 N ATOM 1817 CA LEU A 121 4.293 11.522 -2.576 1.00 4.40 C ATOM 1818 C LEU A 121 4.745 12.980 -2.297 1.00 70.11 C ATOM 1819 O LEU A 121 4.905 13.389 -1.140 1.00 64.23 O ATOM 1820 CB LEU A 121 2.885 11.518 -3.252 1.00 3.21 C ATOM 1821 CG LEU A 121 2.291 10.114 -3.617 1.00 40.10 C ATOM 1822 CD1 LEU A 121 0.837 10.232 -4.137 1.00 22.01 C ATOM 1823 CD2 LEU A 121 3.196 9.364 -4.625 1.00 53.10 C ATOM 0 H LEU A 121 3.517 11.071 -0.675 1.00 23.10 H new ATOM 0 HA LEU A 121 5.008 11.051 -3.251 1.00 4.40 H new ATOM 0 HB2 LEU A 121 2.185 12.022 -2.586 1.00 3.21 H new ATOM 0 HB3 LEU A 121 2.942 12.112 -4.164 1.00 3.21 H new ATOM 0 HG LEU A 121 2.261 9.522 -2.702 1.00 40.10 H new ATOM 0 HD11 LEU A 121 0.456 9.240 -4.381 1.00 22.01 H new ATOM 0 HD12 LEU A 121 0.211 10.682 -3.367 1.00 22.01 H new ATOM 0 HD13 LEU A 121 0.820 10.857 -5.030 1.00 22.01 H new ATOM 0 HD21 LEU A 121 2.756 8.394 -4.857 1.00 53.10 H new ATOM 0 HD22 LEU A 121 3.286 9.950 -5.540 1.00 53.10 H new ATOM 0 HD23 LEU A 121 4.184 9.219 -4.189 1.00 53.10 H new ATOM 1835 N SER A 122 4.962 13.754 -3.363 1.00 24.33 N ATOM 1836 CA SER A 122 5.274 15.202 -3.278 1.00 44.21 C ATOM 1837 C SER A 122 4.481 15.951 -4.352 1.00 41.13 C ATOM 1838 O SER A 122 4.404 15.487 -5.482 1.00 70.32 O ATOM 1839 CB SER A 122 6.787 15.459 -3.481 1.00 54.21 C ATOM 1840 OG SER A 122 7.096 16.846 -3.404 1.00 22.14 O ATOM 0 H SER A 122 4.928 13.402 -4.320 1.00 24.33 H new ATOM 0 HA SER A 122 4.997 15.559 -2.286 1.00 44.21 H new ATOM 0 HB2 SER A 122 7.354 14.916 -2.724 1.00 54.21 H new ATOM 0 HB3 SER A 122 7.096 15.070 -4.451 1.00 54.21 H new ATOM 0 HG SER A 122 8.059 16.974 -3.535 1.00 22.14 H new ATOM 1846 N ALA A 123 3.895 17.097 -4.002 1.00 51.43 N ATOM 1847 CA ALA A 123 3.092 17.899 -4.948 1.00 61.31 C ATOM 1848 C ALA A 123 3.984 18.570 -6.025 1.00 3.15 C ATOM 1849 O ALA A 123 5.068 19.085 -5.721 1.00 32.15 O ATOM 1850 CB ALA A 123 2.269 18.934 -4.174 1.00 74.05 C ATOM 0 H ALA A 123 3.958 17.499 -3.067 1.00 51.43 H new ATOM 0 HA ALA A 123 2.409 17.235 -5.478 1.00 61.31 H new ATOM 0 HB1 ALA A 123 1.677 19.525 -4.873 1.00 74.05 H new ATOM 0 HB2 ALA A 123 1.604 18.423 -3.477 1.00 74.05 H new ATOM 0 HB3 ALA A 123 2.939 19.591 -3.620 1.00 74.05 H new ATOM 1856 N LYS A 124 3.519 18.557 -7.289 1.00 12.30 N ATOM 1857 CA LYS A 124 4.287 19.088 -8.440 1.00 73.45 C ATOM 1858 C LYS A 124 4.051 20.619 -8.605 1.00 24.14 C ATOM 1859 O LYS A 124 3.391 21.077 -9.543 1.00 52.31 O ATOM 1860 CB LYS A 124 3.898 18.297 -9.719 1.00 12.42 C ATOM 1861 CG LYS A 124 4.741 18.603 -10.978 1.00 33.35 C ATOM 1862 CD LYS A 124 4.180 17.881 -12.219 1.00 31.41 C ATOM 1863 CE LYS A 124 4.983 18.145 -13.501 1.00 72.04 C ATOM 1864 NZ LYS A 124 4.309 17.578 -14.699 1.00 75.12 N ATOM 0 H LYS A 124 2.606 18.181 -7.544 1.00 12.30 H new ATOM 0 HA LYS A 124 5.354 18.954 -8.263 1.00 73.45 H new ATOM 0 HB2 LYS A 124 3.975 17.231 -9.503 1.00 12.42 H new ATOM 0 HB3 LYS A 124 2.852 18.501 -9.946 1.00 12.42 H new ATOM 0 HG2 LYS A 124 4.755 19.678 -11.156 1.00 33.35 H new ATOM 0 HG3 LYS A 124 5.773 18.294 -10.811 1.00 33.35 H new ATOM 0 HD2 LYS A 124 4.161 16.808 -12.027 1.00 31.41 H new ATOM 0 HD3 LYS A 124 3.148 18.195 -12.376 1.00 31.41 H new ATOM 0 HE2 LYS A 124 5.116 19.219 -13.632 1.00 72.04 H new ATOM 0 HE3 LYS A 124 5.978 17.710 -13.403 1.00 72.04 H new ATOM 0 HZ1 LYS A 124 4.672 18.045 -15.555 1.00 75.12 H new ATOM 0 HZ2 LYS A 124 4.500 16.557 -14.754 1.00 75.12 H new ATOM 0 HZ3 LYS A 124 3.283 17.735 -14.627 1.00 75.12 H new