USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=47 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 10 ASN : amide:sc= -1.07 K(o=-1.6,f=-5.3!) USER MOD Set 1.2: A 122 SER OG : rot -170:sc= -0.518 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.0978 USER MOD Set 2.2: A 106 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ -141:sc= 1.26 (180deg=0.025) USER MOD Set 3.2: A 97 TYR OH : rot 50:sc= 1.1 USER MOD Set 4.1: A 37 TYR OH : rot 29:sc= 0.326 USER MOD Set 4.2: A 49 HIS : no HD1:sc= -1.27! C(o=-1.4!,f=-2.6!) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0 X(o=-1.4,f=-1.5) USER MOD Set 4.4: A 78 MET CE :methyl -120:sc= -0.344 (180deg=-3.24!) USER MOD Set 4.5: A 81 MET CE :methyl 162:sc= -0.161 (180deg=-0.713) USER MOD Set 5.1: A 31 THR OG1 : rot 104:sc= 1.08 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.42 K(o=2.7,f=2.1) USER MOD Set 5.3: A 93 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0) USER MOD Set 6.1: A 25 THR OG1 : rot -3:sc= 0.452 USER MOD Set 6.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 6.3: A 98 MET CE :methyl 156:sc= -0.0621 (180deg=-0.762) USER MOD Set 7.1: A 17 MET CE :methyl -141:sc= -0.482 (180deg=-2.35!) USER MOD Set 7.2: A 113 HIS : no HE2:sc= -0.46 K(o=-0.94,f=-3.1) USER MOD Set 8.1: A 6 GLN : amide:sc= 0.79 K(o=2.2,f=-2) USER MOD Set 8.2: A 124 LYS NZ :NH3+ -137:sc= 1.41 (180deg=-0.076) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.615 (180deg=-2.46!) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 96:sc= 0.6 USER MOD Single : A 13 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00061) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.392 USER MOD Single : A 36 SER OG : rot 121:sc= 0.0796 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.816 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.424 F(o=-1.7!,f=-0.42) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 0.251 (180deg=-0.694) 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= -0.291 K(o=-0.29,f=-1.3) USER MOD Single : A 70 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.8) USER MOD Single : A 76 SER OG : rot 21:sc= 0.158 USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.059) USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.514 (180deg=-1.58!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 94 THR OG1 : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -82:sc= 0.521 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 150:sc= 0.313 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00352) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0637) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0402 F(o=-1.8!,f=-0.04) USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0272) USER MOD Single : A 117 THR OG1 : rot -150:sc= -0.556 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.068 15.170 -1.792 1.00 1.04 N ATOM 2 CA MET A 1 -4.792 15.501 -3.221 1.00 23.41 C ATOM 3 C MET A 1 -5.989 15.127 -4.121 1.00 0.11 C ATOM 4 O MET A 1 -6.752 14.210 -3.799 1.00 43.11 O ATOM 5 CB MET A 1 -3.494 14.798 -3.692 1.00 64.35 C ATOM 6 CG MET A 1 -2.233 15.278 -2.970 1.00 21.11 C ATOM 7 SD MET A 1 -0.764 14.342 -3.436 1.00 62.52 S ATOM 8 CE MET A 1 0.512 15.300 -2.624 1.00 61.25 C ATOM 0 H1 MET A 1 -4.683 15.919 -1.182 1.00 1.04 H new ATOM 0 H2 MET A 1 -6.095 15.097 -1.645 1.00 1.04 H new ATOM 0 H3 MET A 1 -4.618 14.263 -1.553 1.00 1.04 H new ATOM 0 HA MET A 1 -4.648 16.578 -3.304 1.00 23.41 H new ATOM 0 HB2 MET A 1 -3.600 13.723 -3.543 1.00 64.35 H new ATOM 0 HB3 MET A 1 -3.372 14.961 -4.763 1.00 64.35 H new ATOM 0 HG2 MET A 1 -2.072 16.333 -3.192 1.00 21.11 H new ATOM 0 HG3 MET A 1 -2.383 15.198 -1.893 1.00 21.11 H new ATOM 0 HE1 MET A 1 1.271 14.629 -2.223 1.00 61.25 H new ATOM 0 HE2 MET A 1 0.971 15.978 -3.343 1.00 61.25 H new ATOM 0 HE3 MET A 1 0.072 15.877 -1.811 1.00 61.25 H new ATOM 20 N LYS A 2 -6.125 15.838 -5.258 1.00 23.53 N ATOM 21 CA LYS A 2 -7.312 15.745 -6.142 1.00 31.25 C ATOM 22 C LYS A 2 -7.155 14.668 -7.245 1.00 50.34 C ATOM 23 O LYS A 2 -6.089 14.534 -7.856 1.00 3.45 O ATOM 24 CB LYS A 2 -7.581 17.133 -6.786 1.00 15.31 C ATOM 25 CG LYS A 2 -8.850 17.207 -7.672 1.00 54.11 C ATOM 26 CD LYS A 2 -9.138 18.631 -8.214 1.00 21.41 C ATOM 27 CE LYS A 2 -9.453 19.645 -7.099 1.00 62.13 C ATOM 28 NZ LYS A 2 -10.631 19.235 -6.291 1.00 14.11 N ATOM 0 H LYS A 2 -5.418 16.493 -5.592 1.00 23.53 H new ATOM 0 HA LYS A 2 -8.159 15.442 -5.526 1.00 31.25 H new ATOM 0 HB2 LYS A 2 -7.666 17.875 -5.992 1.00 15.31 H new ATOM 0 HB3 LYS A 2 -6.717 17.410 -7.390 1.00 15.31 H new ATOM 0 HG2 LYS A 2 -8.738 16.522 -8.512 1.00 54.11 H new ATOM 0 HG3 LYS A 2 -9.709 16.865 -7.094 1.00 54.11 H new ATOM 0 HD2 LYS A 2 -8.275 18.979 -8.782 1.00 21.41 H new ATOM 0 HD3 LYS A 2 -9.979 18.587 -8.906 1.00 21.41 H new ATOM 0 HE2 LYS A 2 -8.585 19.749 -6.448 1.00 62.13 H new ATOM 0 HE3 LYS A 2 -9.639 20.624 -7.541 1.00 62.13 H new ATOM 0 HZ1 LYS A 2 -10.902 20.011 -5.654 1.00 14.11 H new ATOM 0 HZ2 LYS A 2 -11.426 19.012 -6.924 1.00 14.11 H new ATOM 0 HZ3 LYS A 2 -10.390 18.394 -5.729 1.00 14.11 H new ATOM 42 N VAL A 3 -8.241 13.903 -7.482 1.00 42.42 N ATOM 43 CA VAL A 3 -8.340 12.947 -8.609 1.00 45.21 C ATOM 44 C VAL A 3 -8.397 13.697 -9.973 1.00 12.21 C ATOM 45 O VAL A 3 -9.098 14.698 -10.117 1.00 3.13 O ATOM 46 CB VAL A 3 -9.582 11.992 -8.444 1.00 64.25 C ATOM 47 CG1 VAL A 3 -9.681 10.967 -9.606 1.00 35.42 C ATOM 48 CG2 VAL A 3 -9.535 11.266 -7.076 1.00 73.14 C ATOM 0 H VAL A 3 -9.076 13.930 -6.897 1.00 42.42 H new ATOM 0 HA VAL A 3 -7.442 12.330 -8.597 1.00 45.21 H new ATOM 0 HB VAL A 3 -10.478 12.612 -8.479 1.00 64.25 H new ATOM 0 HG11 VAL A 3 -10.551 10.328 -9.454 1.00 35.42 H new ATOM 0 HG12 VAL A 3 -9.782 11.498 -10.552 1.00 35.42 H new ATOM 0 HG13 VAL A 3 -8.780 10.354 -9.629 1.00 35.42 H new ATOM 0 HG21 VAL A 3 -10.401 10.611 -6.982 1.00 73.14 H new ATOM 0 HG22 VAL A 3 -8.623 10.673 -7.010 1.00 73.14 H new ATOM 0 HG23 VAL A 3 -9.548 12.003 -6.273 1.00 73.14 H new ATOM 58 N GLY A 4 -7.642 13.188 -10.955 1.00 44.51 N ATOM 59 CA GLY A 4 -7.468 13.851 -12.257 1.00 43.43 C ATOM 60 C GLY A 4 -6.250 14.786 -12.300 1.00 61.54 C ATOM 61 O GLY A 4 -5.844 15.237 -13.377 1.00 33.32 O ATOM 0 H GLY A 4 -7.135 12.307 -10.871 1.00 44.51 H new ATOM 0 HA2 GLY A 4 -7.364 13.093 -13.033 1.00 43.43 H new ATOM 0 HA3 GLY A 4 -8.366 14.423 -12.489 1.00 43.43 H new ATOM 65 N SER A 5 -5.673 15.084 -11.120 1.00 61.01 N ATOM 66 CA SER A 5 -4.432 15.887 -10.997 1.00 53.33 C ATOM 67 C SER A 5 -3.183 14.986 -11.105 1.00 53.40 C ATOM 68 O SER A 5 -3.256 13.779 -10.861 1.00 41.32 O ATOM 69 CB SER A 5 -4.409 16.642 -9.645 1.00 31.21 C ATOM 70 OG SER A 5 -3.233 17.431 -9.494 1.00 12.44 O ATOM 0 H SER A 5 -6.050 14.777 -10.223 1.00 61.01 H new ATOM 0 HA SER A 5 -4.417 16.609 -11.813 1.00 53.33 H new ATOM 0 HB2 SER A 5 -5.287 17.283 -9.573 1.00 31.21 H new ATOM 0 HB3 SER A 5 -4.471 15.924 -8.828 1.00 31.21 H new ATOM 0 HG SER A 5 -3.257 17.892 -8.630 1.00 12.44 H new ATOM 76 N GLN A 6 -2.031 15.590 -11.442 1.00 55.25 N ATOM 77 CA GLN A 6 -0.732 14.883 -11.474 1.00 44.01 C ATOM 78 C GLN A 6 0.071 15.214 -10.206 1.00 11.32 C ATOM 79 O GLN A 6 -0.038 16.316 -9.649 1.00 62.25 O ATOM 80 CB GLN A 6 0.094 15.250 -12.739 1.00 32.11 C ATOM 81 CG GLN A 6 -0.497 14.727 -14.065 1.00 51.55 C ATOM 82 CD GLN A 6 0.441 14.902 -15.269 1.00 53.22 C ATOM 83 OE1 GLN A 6 1.244 15.834 -15.334 1.00 33.44 O ATOM 84 NE2 GLN A 6 0.354 14.000 -16.227 1.00 0.24 N ATOM 0 H GLN A 6 -1.970 16.575 -11.699 1.00 55.25 H new ATOM 0 HA GLN A 6 -0.934 13.813 -11.512 1.00 44.01 H new ATOM 0 HB2 GLN A 6 0.181 16.335 -12.798 1.00 32.11 H new ATOM 0 HB3 GLN A 6 1.103 14.855 -12.625 1.00 32.11 H new ATOM 0 HG2 GLN A 6 -0.738 13.670 -13.954 1.00 51.55 H new ATOM 0 HG3 GLN A 6 -1.433 15.248 -14.266 1.00 51.55 H new ATOM 0 HE21 GLN A 6 -0.319 13.237 -16.150 1.00 0.24 H new ATOM 0 HE22 GLN A 6 0.960 14.065 -17.045 1.00 0.24 H new ATOM 93 N VAL A 7 0.862 14.239 -9.752 1.00 32.31 N ATOM 94 CA VAL A 7 1.769 14.391 -8.605 1.00 30.34 C ATOM 95 C VAL A 7 3.183 13.881 -8.965 1.00 60.55 C ATOM 96 O VAL A 7 3.342 13.018 -9.819 1.00 14.03 O ATOM 97 CB VAL A 7 1.220 13.626 -7.331 1.00 61.34 C ATOM 98 CG1 VAL A 7 -0.050 14.308 -6.765 1.00 55.04 C ATOM 99 CG2 VAL A 7 0.953 12.130 -7.630 1.00 2.33 C ATOM 0 H VAL A 7 0.893 13.310 -10.173 1.00 32.31 H new ATOM 0 HA VAL A 7 1.825 15.452 -8.363 1.00 30.34 H new ATOM 0 HB VAL A 7 1.998 13.677 -6.570 1.00 61.34 H new ATOM 0 HG11 VAL A 7 -0.400 13.758 -5.892 1.00 55.04 H new ATOM 0 HG12 VAL A 7 0.185 15.333 -6.478 1.00 55.04 H new ATOM 0 HG13 VAL A 7 -0.830 14.314 -7.527 1.00 55.04 H new ATOM 0 HG21 VAL A 7 0.578 11.641 -6.731 1.00 2.33 H new ATOM 0 HG22 VAL A 7 0.213 12.044 -8.426 1.00 2.33 H new ATOM 0 HG23 VAL A 7 1.880 11.651 -7.944 1.00 2.33 H new ATOM 109 N ILE A 8 4.205 14.453 -8.325 1.00 74.50 N ATOM 110 CA ILE A 8 5.591 13.948 -8.375 1.00 25.32 C ATOM 111 C ILE A 8 5.888 13.109 -7.108 1.00 74.20 C ATOM 112 O ILE A 8 5.720 13.585 -5.976 1.00 32.43 O ATOM 113 CB ILE A 8 6.618 15.140 -8.509 1.00 33.42 C ATOM 114 CG1 ILE A 8 6.390 15.913 -9.853 1.00 55.24 C ATOM 115 CG2 ILE A 8 8.094 14.662 -8.382 1.00 62.02 C ATOM 116 CD1 ILE A 8 6.683 15.101 -11.115 1.00 72.12 C ATOM 0 H ILE A 8 4.099 15.289 -7.750 1.00 74.50 H new ATOM 0 HA ILE A 8 5.702 13.312 -9.254 1.00 25.32 H new ATOM 0 HB ILE A 8 6.435 15.823 -7.679 1.00 33.42 H new ATOM 0 HG12 ILE A 8 5.355 16.254 -9.889 1.00 55.24 H new ATOM 0 HG13 ILE A 8 7.019 16.803 -9.856 1.00 55.24 H new ATOM 0 HG21 ILE A 8 8.763 15.517 -8.481 1.00 62.02 H new ATOM 0 HG22 ILE A 8 8.243 14.195 -7.408 1.00 62.02 H new ATOM 0 HG23 ILE A 8 8.311 13.939 -9.168 1.00 62.02 H new ATOM 0 HD11 ILE A 8 6.498 15.717 -11.995 1.00 72.12 H new ATOM 0 HD12 ILE A 8 7.725 14.782 -11.108 1.00 72.12 H new ATOM 0 HD13 ILE A 8 6.035 14.225 -11.142 1.00 72.12 H new ATOM 128 N ILE A 9 6.331 11.857 -7.314 1.00 54.12 N ATOM 129 CA ILE A 9 6.630 10.919 -6.215 1.00 52.13 C ATOM 130 C ILE A 9 8.009 11.276 -5.603 1.00 74.31 C ATOM 131 O ILE A 9 9.038 11.052 -6.240 1.00 63.42 O ATOM 132 CB ILE A 9 6.651 9.428 -6.729 1.00 61.31 C ATOM 133 CG1 ILE A 9 5.388 9.099 -7.595 1.00 14.05 C ATOM 134 CG2 ILE A 9 6.792 8.436 -5.546 1.00 70.43 C ATOM 135 CD1 ILE A 9 5.394 7.711 -8.235 1.00 50.05 C ATOM 0 H ILE A 9 6.492 11.467 -8.243 1.00 54.12 H new ATOM 0 HA ILE A 9 5.848 11.008 -5.460 1.00 52.13 H new ATOM 0 HB ILE A 9 7.524 9.314 -7.371 1.00 61.31 H new ATOM 0 HG12 ILE A 9 4.501 9.191 -6.968 1.00 14.05 H new ATOM 0 HG13 ILE A 9 5.300 9.847 -8.383 1.00 14.05 H new ATOM 0 HG21 ILE A 9 6.804 7.415 -5.927 1.00 70.43 H new ATOM 0 HG22 ILE A 9 7.722 8.635 -5.013 1.00 70.43 H new ATOM 0 HG23 ILE A 9 5.950 8.559 -4.865 1.00 70.43 H new ATOM 0 HD11 ILE A 9 4.481 7.574 -8.814 1.00 50.05 H new ATOM 0 HD12 ILE A 9 6.258 7.617 -8.892 1.00 50.05 H new ATOM 0 HD13 ILE A 9 5.447 6.951 -7.455 1.00 50.05 H new ATOM 147 N ASN A 10 8.029 11.852 -4.389 1.00 4.34 N ATOM 148 CA ASN A 10 9.289 12.307 -3.744 1.00 3.35 C ATOM 149 C ASN A 10 9.971 11.170 -2.937 1.00 40.32 C ATOM 150 O ASN A 10 11.202 11.087 -2.868 1.00 21.32 O ATOM 151 CB ASN A 10 9.028 13.556 -2.854 1.00 4.32 C ATOM 152 CG ASN A 10 7.931 13.395 -1.792 1.00 54.25 C ATOM 153 OD1 ASN A 10 7.557 12.306 -1.388 1.00 34.24 O ATOM 154 ND2 ASN A 10 7.448 14.498 -1.278 1.00 24.01 N ATOM 0 H ASN A 10 7.192 12.017 -3.829 1.00 4.34 H new ATOM 0 HA ASN A 10 9.982 12.591 -4.536 1.00 3.35 H new ATOM 0 HB2 ASN A 10 9.958 13.824 -2.352 1.00 4.32 H new ATOM 0 HB3 ASN A 10 8.763 14.392 -3.501 1.00 4.32 H new ATOM 0 HD21 ASN A 10 6.753 14.452 -0.533 1.00 24.01 H new ATOM 0 HD22 ASN A 10 7.767 15.404 -1.622 1.00 24.01 H new ATOM 161 N THR A 11 9.141 10.310 -2.343 1.00 43.50 N ATOM 162 CA THR A 11 9.570 9.150 -1.533 1.00 44.10 C ATOM 163 C THR A 11 8.757 7.927 -1.978 1.00 31.05 C ATOM 164 O THR A 11 7.563 8.044 -2.252 1.00 44.03 O ATOM 165 CB THR A 11 9.334 9.400 0.002 1.00 21.02 C ATOM 166 OG1 THR A 11 10.070 10.561 0.422 1.00 31.25 O ATOM 167 CG2 THR A 11 9.749 8.193 0.872 1.00 33.13 C ATOM 0 H THR A 11 8.127 10.396 -2.409 1.00 43.50 H new ATOM 0 HA THR A 11 10.637 8.989 -1.685 1.00 44.10 H new ATOM 0 HB THR A 11 8.264 9.552 0.140 1.00 21.02 H new ATOM 0 HG1 THR A 11 9.920 10.715 1.378 1.00 31.25 H new ATOM 0 HG21 THR A 11 9.565 8.421 1.922 1.00 33.13 H new ATOM 0 HG22 THR A 11 9.166 7.318 0.583 1.00 33.13 H new ATOM 0 HG23 THR A 11 10.809 7.987 0.726 1.00 33.13 H new ATOM 175 N SER A 12 9.398 6.759 -2.037 1.00 44.45 N ATOM 176 CA SER A 12 8.732 5.520 -2.477 1.00 52.53 C ATOM 177 C SER A 12 9.522 4.279 -2.060 1.00 53.01 C ATOM 178 O SER A 12 10.643 4.367 -1.547 1.00 63.10 O ATOM 179 CB SER A 12 8.527 5.533 -4.010 1.00 11.31 C ATOM 180 OG SER A 12 9.755 5.660 -4.695 1.00 15.13 O ATOM 0 H SER A 12 10.379 6.639 -1.786 1.00 44.45 H new ATOM 0 HA SER A 12 7.759 5.476 -1.988 1.00 52.53 H new ATOM 0 HB2 SER A 12 8.030 4.614 -4.319 1.00 11.31 H new ATOM 0 HB3 SER A 12 7.870 6.358 -4.283 1.00 11.31 H new ATOM 0 HG SER A 12 10.075 4.773 -4.961 1.00 15.13 H new ATOM 186 N HIS A 13 8.912 3.118 -2.297 1.00 13.21 N ATOM 187 CA HIS A 13 9.460 1.811 -1.894 1.00 33.43 C ATOM 188 C HIS A 13 10.436 1.247 -2.973 1.00 70.50 C ATOM 189 O HIS A 13 11.096 0.228 -2.748 1.00 60.50 O ATOM 190 CB HIS A 13 8.273 0.848 -1.612 1.00 61.01 C ATOM 191 CG HIS A 13 7.177 1.451 -0.731 1.00 55.24 C ATOM 192 ND1 HIS A 13 5.850 1.141 -0.925 1.00 70.04 N ATOM 193 CD2 HIS A 13 7.265 2.345 0.303 1.00 22.52 C ATOM 194 CE1 HIS A 13 5.170 1.837 -0.027 1.00 21.32 C ATOM 195 NE2 HIS A 13 5.984 2.577 0.736 1.00 22.22 N ATOM 0 H HIS A 13 8.015 3.051 -2.778 1.00 13.21 H new ATOM 0 HA HIS A 13 10.052 1.920 -0.985 1.00 33.43 H new ATOM 0 HB2 HIS A 13 7.834 0.542 -2.561 1.00 61.01 H new ATOM 0 HB3 HIS A 13 8.656 -0.053 -1.132 1.00 61.01 H new ATOM 0 HD2 HIS A 13 8.169 2.783 0.701 1.00 22.52 H new ATOM 0 HE1 HIS A 13 4.095 1.811 0.077 1.00 21.32 H new ATOM 0 HE2 HIS A 13 5.704 3.197 1.496 1.00 22.22 H new ATOM 203 N MET A 14 10.516 1.940 -4.141 1.00 63.03 N ATOM 204 CA MET A 14 11.426 1.587 -5.269 1.00 42.21 C ATOM 205 C MET A 14 12.171 2.858 -5.784 1.00 51.31 C ATOM 206 O MET A 14 11.587 3.947 -5.825 1.00 61.04 O ATOM 207 CB MET A 14 10.624 0.976 -6.462 1.00 71.20 C ATOM 208 CG MET A 14 9.701 -0.201 -6.124 1.00 75.45 C ATOM 209 SD MET A 14 8.806 -0.792 -7.581 1.00 34.12 S ATOM 210 CE MET A 14 7.701 -2.012 -6.867 1.00 33.14 C ATOM 0 H MET A 14 9.947 2.766 -4.329 1.00 63.03 H new ATOM 0 HA MET A 14 12.142 0.856 -4.895 1.00 42.21 H new ATOM 0 HB2 MET A 14 10.022 1.766 -6.911 1.00 71.20 H new ATOM 0 HB3 MET A 14 11.335 0.647 -7.220 1.00 71.20 H new ATOM 0 HG2 MET A 14 10.290 -1.016 -5.704 1.00 75.45 H new ATOM 0 HG3 MET A 14 8.988 0.104 -5.358 1.00 75.45 H new ATOM 0 HE1 MET A 14 7.091 -2.455 -7.654 1.00 33.14 H new ATOM 0 HE2 MET A 14 8.286 -2.792 -6.379 1.00 33.14 H new ATOM 0 HE3 MET A 14 7.054 -1.531 -6.133 1.00 33.14 H new ATOM 220 N LYS A 15 13.445 2.702 -6.207 1.00 63.22 N ATOM 221 CA LYS A 15 14.226 3.789 -6.874 1.00 51.34 C ATOM 222 C LYS A 15 13.537 4.256 -8.191 1.00 22.22 C ATOM 223 O LYS A 15 13.512 5.454 -8.505 1.00 64.34 O ATOM 224 CB LYS A 15 15.683 3.309 -7.164 1.00 22.10 C ATOM 225 CG LYS A 15 16.587 4.332 -7.908 1.00 13.13 C ATOM 226 CD LYS A 15 16.821 5.640 -7.111 1.00 61.44 C ATOM 227 CE LYS A 15 17.597 6.699 -7.919 1.00 1.54 C ATOM 228 NZ LYS A 15 18.931 6.223 -8.370 1.00 71.41 N ATOM 0 H LYS A 15 13.965 1.831 -6.101 1.00 63.22 H new ATOM 0 HA LYS A 15 14.262 4.641 -6.195 1.00 51.34 H new ATOM 0 HB2 LYS A 15 16.158 3.052 -6.217 1.00 22.10 H new ATOM 0 HB3 LYS A 15 15.635 2.395 -7.755 1.00 22.10 H new ATOM 0 HG2 LYS A 15 17.550 3.868 -8.120 1.00 13.13 H new ATOM 0 HG3 LYS A 15 16.132 4.577 -8.868 1.00 13.13 H new ATOM 0 HD2 LYS A 15 15.859 6.053 -6.808 1.00 61.44 H new ATOM 0 HD3 LYS A 15 17.371 5.411 -6.198 1.00 61.44 H new ATOM 0 HE2 LYS A 15 17.007 6.988 -8.789 1.00 1.54 H new ATOM 0 HE3 LYS A 15 17.724 7.593 -7.308 1.00 1.54 H new ATOM 0 HZ1 LYS A 15 19.412 6.983 -8.893 1.00 71.41 H new ATOM 0 HZ2 LYS A 15 19.502 5.956 -7.543 1.00 71.41 H new ATOM 0 HZ3 LYS A 15 18.813 5.397 -8.990 1.00 71.41 H new ATOM 242 N GLY A 16 12.964 3.285 -8.933 1.00 65.14 N ATOM 243 CA GLY A 16 12.253 3.559 -10.195 1.00 33.22 C ATOM 244 C GLY A 16 11.022 4.468 -10.056 1.00 35.24 C ATOM 245 O GLY A 16 10.611 5.114 -11.021 1.00 21.53 O ATOM 0 H GLY A 16 12.982 2.298 -8.675 1.00 65.14 H new ATOM 0 HA2 GLY A 16 12.950 4.019 -10.896 1.00 33.22 H new ATOM 0 HA3 GLY A 16 11.940 2.611 -10.633 1.00 33.22 H new ATOM 249 N MET A 17 10.430 4.510 -8.851 1.00 71.25 N ATOM 250 CA MET A 17 9.258 5.365 -8.568 1.00 71.01 C ATOM 251 C MET A 17 9.695 6.723 -7.970 1.00 10.05 C ATOM 252 O MET A 17 8.994 7.722 -8.118 1.00 10.30 O ATOM 253 CB MET A 17 8.265 4.629 -7.629 1.00 3.31 C ATOM 254 CG MET A 17 7.936 3.191 -8.066 1.00 13.33 C ATOM 255 SD MET A 17 6.408 2.534 -7.358 1.00 0.33 S ATOM 256 CE MET A 17 6.696 2.678 -5.599 1.00 71.33 C ATOM 0 H MET A 17 10.744 3.960 -8.051 1.00 71.25 H new ATOM 0 HA MET A 17 8.746 5.570 -9.508 1.00 71.01 H new ATOM 0 HB2 MET A 17 8.683 4.605 -6.623 1.00 3.31 H new ATOM 0 HB3 MET A 17 7.339 5.202 -7.576 1.00 3.31 H new ATOM 0 HG2 MET A 17 7.862 3.161 -9.153 1.00 13.33 H new ATOM 0 HG3 MET A 17 8.763 2.539 -7.785 1.00 13.33 H new ATOM 0 HE1 MET A 17 6.292 1.802 -5.091 1.00 71.33 H new ATOM 0 HE2 MET A 17 7.767 2.745 -5.410 1.00 71.33 H new ATOM 0 HE3 MET A 17 6.205 3.575 -5.222 1.00 71.33 H new ATOM 266 N LYS A 18 10.866 6.748 -7.295 1.00 73.25 N ATOM 267 CA LYS A 18 11.438 7.988 -6.713 1.00 62.32 C ATOM 268 C LYS A 18 11.882 8.984 -7.822 1.00 62.41 C ATOM 269 O LYS A 18 12.718 8.659 -8.674 1.00 41.12 O ATOM 270 CB LYS A 18 12.621 7.641 -5.768 1.00 1.42 C ATOM 271 CG LYS A 18 13.221 8.855 -5.010 1.00 72.15 C ATOM 272 CD LYS A 18 14.346 8.454 -4.023 1.00 54.31 C ATOM 273 CE LYS A 18 13.848 7.500 -2.924 1.00 61.50 C ATOM 274 NZ LYS A 18 14.924 7.113 -1.975 1.00 21.45 N ATOM 0 H LYS A 18 11.438 5.919 -7.138 1.00 73.25 H new ATOM 0 HA LYS A 18 10.660 8.480 -6.129 1.00 62.32 H new ATOM 0 HB2 LYS A 18 12.282 6.905 -5.038 1.00 1.42 H new ATOM 0 HB3 LYS A 18 13.410 7.169 -6.354 1.00 1.42 H new ATOM 0 HG2 LYS A 18 13.616 9.569 -5.733 1.00 72.15 H new ATOM 0 HG3 LYS A 18 12.428 9.363 -4.462 1.00 72.15 H new ATOM 0 HD2 LYS A 18 15.157 7.978 -4.574 1.00 54.31 H new ATOM 0 HD3 LYS A 18 14.758 9.352 -3.562 1.00 54.31 H new ATOM 0 HE2 LYS A 18 13.037 7.977 -2.374 1.00 61.50 H new ATOM 0 HE3 LYS A 18 13.435 6.603 -3.386 1.00 61.50 H new ATOM 0 HZ1 LYS A 18 14.537 6.470 -1.255 1.00 21.45 H new ATOM 0 HZ2 LYS A 18 15.688 6.633 -2.493 1.00 21.45 H new ATOM 0 HZ3 LYS A 18 15.301 7.964 -1.512 1.00 21.45 H new ATOM 288 N GLY A 19 11.293 10.191 -7.790 1.00 45.31 N ATOM 289 CA GLY A 19 11.536 11.241 -8.793 1.00 34.14 C ATOM 290 C GLY A 19 10.655 11.127 -10.048 1.00 25.14 C ATOM 291 O GLY A 19 10.773 11.949 -10.964 1.00 64.32 O ATOM 0 H GLY A 19 10.632 10.467 -7.064 1.00 45.31 H new ATOM 0 HA2 GLY A 19 11.369 12.214 -8.332 1.00 34.14 H new ATOM 0 HA3 GLY A 19 12.583 11.206 -9.093 1.00 34.14 H new ATOM 295 N ALA A 20 9.763 10.115 -10.085 1.00 55.23 N ATOM 296 CA ALA A 20 8.885 9.847 -11.253 1.00 51.33 C ATOM 297 C ALA A 20 7.584 10.678 -11.217 1.00 61.50 C ATOM 298 O ALA A 20 7.152 11.145 -10.154 1.00 53.20 O ATOM 299 CB ALA A 20 8.557 8.346 -11.328 1.00 44.15 C ATOM 0 H ALA A 20 9.628 9.462 -9.313 1.00 55.23 H new ATOM 0 HA ALA A 20 9.431 10.149 -12.147 1.00 51.33 H new ATOM 0 HB1 ALA A 20 7.913 8.157 -12.187 1.00 44.15 H new ATOM 0 HB2 ALA A 20 9.480 7.777 -11.435 1.00 44.15 H new ATOM 0 HB3 ALA A 20 8.045 8.039 -10.416 1.00 44.15 H new ATOM 305 N GLU A 21 6.960 10.840 -12.400 1.00 51.32 N ATOM 306 CA GLU A 21 5.645 11.502 -12.538 1.00 65.15 C ATOM 307 C GLU A 21 4.519 10.453 -12.404 1.00 14.33 C ATOM 308 O GLU A 21 4.503 9.456 -13.135 1.00 72.01 O ATOM 309 CB GLU A 21 5.520 12.218 -13.917 1.00 40.42 C ATOM 310 CG GLU A 21 4.156 12.913 -14.179 1.00 54.23 C ATOM 311 CD GLU A 21 3.943 13.275 -15.663 1.00 21.12 C ATOM 312 OE1 GLU A 21 3.405 12.437 -16.419 1.00 74.11 O ATOM 313 OE2 GLU A 21 4.331 14.384 -16.086 1.00 13.14 O ATOM 0 H GLU A 21 7.351 10.517 -13.285 1.00 51.32 H new ATOM 0 HA GLU A 21 5.555 12.249 -11.749 1.00 65.15 H new ATOM 0 HB2 GLU A 21 6.311 12.964 -13.994 1.00 40.42 H new ATOM 0 HB3 GLU A 21 5.694 11.486 -14.706 1.00 40.42 H new ATOM 0 HG2 GLU A 21 3.350 12.256 -13.851 1.00 54.23 H new ATOM 0 HG3 GLU A 21 4.094 13.819 -13.576 1.00 54.23 H new ATOM 320 N ALA A 22 3.611 10.682 -11.452 1.00 1.21 N ATOM 321 CA ALA A 22 2.373 9.900 -11.281 1.00 42.23 C ATOM 322 C ALA A 22 1.127 10.776 -11.542 1.00 65.24 C ATOM 323 O ALA A 22 1.223 12.002 -11.668 1.00 31.23 O ATOM 324 CB ALA A 22 2.328 9.299 -9.867 1.00 15.22 C ATOM 0 H ALA A 22 3.713 11.428 -10.764 1.00 1.21 H new ATOM 0 HA ALA A 22 2.368 9.089 -12.010 1.00 42.23 H new ATOM 0 HB1 ALA A 22 1.411 8.722 -9.746 1.00 15.22 H new ATOM 0 HB2 ALA A 22 3.189 8.647 -9.721 1.00 15.22 H new ATOM 0 HB3 ALA A 22 2.352 10.101 -9.130 1.00 15.22 H new ATOM 330 N THR A 23 -0.038 10.128 -11.647 1.00 33.44 N ATOM 331 CA THR A 23 -1.347 10.808 -11.768 1.00 45.51 C ATOM 332 C THR A 23 -2.354 10.147 -10.805 1.00 61.53 C ATOM 333 O THR A 23 -2.522 8.927 -10.829 1.00 44.34 O ATOM 334 CB THR A 23 -1.903 10.742 -13.238 1.00 21.44 C ATOM 335 OG1 THR A 23 -0.947 11.312 -14.155 1.00 71.34 O ATOM 336 CG2 THR A 23 -3.250 11.486 -13.387 1.00 73.33 C ATOM 0 H THR A 23 -0.107 9.110 -11.651 1.00 33.44 H new ATOM 0 HA THR A 23 -1.209 11.858 -11.510 1.00 45.51 H new ATOM 0 HB THR A 23 -2.069 9.690 -13.470 1.00 21.44 H new ATOM 0 HG1 THR A 23 -1.301 11.265 -15.068 1.00 71.34 H new ATOM 0 HG21 THR A 23 -3.594 11.413 -14.419 1.00 73.33 H new ATOM 0 HG22 THR A 23 -3.990 11.036 -12.725 1.00 73.33 H new ATOM 0 HG23 THR A 23 -3.117 12.535 -13.122 1.00 73.33 H new ATOM 344 N VAL A 24 -3.027 10.964 -9.976 1.00 52.32 N ATOM 345 CA VAL A 24 -4.008 10.472 -8.986 1.00 22.12 C ATOM 346 C VAL A 24 -5.301 10.027 -9.710 1.00 41.10 C ATOM 347 O VAL A 24 -6.068 10.859 -10.188 1.00 52.34 O ATOM 348 CB VAL A 24 -4.347 11.569 -7.904 1.00 43.43 C ATOM 349 CG1 VAL A 24 -5.354 11.039 -6.847 1.00 41.54 C ATOM 350 CG2 VAL A 24 -3.061 12.108 -7.227 1.00 55.25 C ATOM 0 H VAL A 24 -2.909 11.977 -9.971 1.00 52.32 H new ATOM 0 HA VAL A 24 -3.564 9.622 -8.467 1.00 22.12 H new ATOM 0 HB VAL A 24 -4.825 12.399 -8.424 1.00 43.43 H new ATOM 0 HG11 VAL A 24 -5.563 11.823 -6.119 1.00 41.54 H new ATOM 0 HG12 VAL A 24 -6.280 10.747 -7.341 1.00 41.54 H new ATOM 0 HG13 VAL A 24 -4.926 10.175 -6.338 1.00 41.54 H new ATOM 0 HG21 VAL A 24 -3.328 12.862 -6.487 1.00 55.25 H new ATOM 0 HG22 VAL A 24 -2.537 11.288 -6.737 1.00 55.25 H new ATOM 0 HG23 VAL A 24 -2.412 12.554 -7.981 1.00 55.25 H new ATOM 360 N THR A 25 -5.508 8.710 -9.825 1.00 11.14 N ATOM 361 CA THR A 25 -6.725 8.135 -10.454 1.00 21.23 C ATOM 362 C THR A 25 -7.700 7.593 -9.385 1.00 1.21 C ATOM 363 O THR A 25 -8.813 7.157 -9.706 1.00 33.15 O ATOM 364 CB THR A 25 -6.353 7.011 -11.477 1.00 21.15 C ATOM 365 OG1 THR A 25 -5.592 5.969 -10.833 1.00 64.41 O ATOM 366 CG2 THR A 25 -5.549 7.584 -12.662 1.00 22.30 C ATOM 0 H THR A 25 -4.847 8.009 -9.490 1.00 11.14 H new ATOM 0 HA THR A 25 -7.226 8.937 -10.997 1.00 21.23 H new ATOM 0 HB THR A 25 -7.283 6.590 -11.858 1.00 21.15 H new ATOM 0 HG1 THR A 25 -5.432 6.211 -9.897 1.00 64.41 H new ATOM 0 HG21 THR A 25 -5.304 6.781 -13.357 1.00 22.30 H new ATOM 0 HG22 THR A 25 -6.145 8.339 -13.175 1.00 22.30 H new ATOM 0 HG23 THR A 25 -4.629 8.037 -12.292 1.00 22.30 H new ATOM 374 N GLY A 26 -7.269 7.631 -8.111 1.00 61.51 N ATOM 375 CA GLY A 26 -8.122 7.292 -6.973 1.00 44.53 C ATOM 376 C GLY A 26 -7.583 7.901 -5.676 1.00 40.14 C ATOM 377 O GLY A 26 -6.384 7.809 -5.400 1.00 51.40 O ATOM 0 H GLY A 26 -6.320 7.898 -7.849 1.00 61.51 H new ATOM 0 HA2 GLY A 26 -9.134 7.653 -7.154 1.00 44.53 H new ATOM 0 HA3 GLY A 26 -8.183 6.209 -6.871 1.00 44.53 H new ATOM 381 N ALA A 27 -8.468 8.533 -4.891 1.00 32.13 N ATOM 382 CA ALA A 27 -8.124 9.122 -3.576 1.00 43.42 C ATOM 383 C ALA A 27 -8.975 8.454 -2.472 1.00 63.41 C ATOM 384 O ALA A 27 -10.188 8.674 -2.386 1.00 52.44 O ATOM 385 CB ALA A 27 -8.331 10.651 -3.602 1.00 40.42 C ATOM 0 H ALA A 27 -9.448 8.654 -5.146 1.00 32.13 H new ATOM 0 HA ALA A 27 -7.072 8.937 -3.358 1.00 43.42 H new ATOM 0 HB1 ALA A 27 -8.074 11.070 -2.629 1.00 40.42 H new ATOM 0 HB2 ALA A 27 -7.692 11.092 -4.367 1.00 40.42 H new ATOM 0 HB3 ALA A 27 -9.374 10.873 -3.829 1.00 40.42 H new ATOM 391 N TYR A 28 -8.333 7.604 -1.664 1.00 71.44 N ATOM 392 CA TYR A 28 -8.994 6.830 -0.588 1.00 74.25 C ATOM 393 C TYR A 28 -8.550 7.364 0.784 1.00 13.32 C ATOM 394 O TYR A 28 -7.368 7.576 1.008 1.00 54.14 O ATOM 395 CB TYR A 28 -8.626 5.321 -0.706 1.00 22.40 C ATOM 396 CG TYR A 28 -9.024 4.632 -2.034 1.00 1.34 C ATOM 397 CD1 TYR A 28 -8.396 4.971 -3.244 1.00 74.31 C ATOM 398 CD2 TYR A 28 -9.999 3.631 -2.075 1.00 50.40 C ATOM 399 CE1 TYR A 28 -8.729 4.338 -4.429 1.00 51.33 C ATOM 400 CE2 TYR A 28 -10.336 3.002 -3.262 1.00 15.14 C ATOM 401 CZ TYR A 28 -9.698 3.356 -4.433 1.00 25.21 C ATOM 402 OH TYR A 28 -10.024 2.717 -5.612 1.00 20.42 O ATOM 0 H TYR A 28 -7.331 7.427 -1.733 1.00 71.44 H new ATOM 0 HA TYR A 28 -10.074 6.940 -0.688 1.00 74.25 H new ATOM 0 HB2 TYR A 28 -7.549 5.218 -0.574 1.00 22.40 H new ATOM 0 HB3 TYR A 28 -9.101 4.785 0.116 1.00 22.40 H new ATOM 0 HD1 TYR A 28 -7.638 5.741 -3.250 1.00 74.31 H new ATOM 0 HD2 TYR A 28 -10.500 3.342 -1.163 1.00 50.40 H new ATOM 0 HE1 TYR A 28 -8.232 4.612 -5.348 1.00 51.33 H new ATOM 0 HE2 TYR A 28 -11.097 2.236 -3.271 1.00 15.14 H new ATOM 0 HH TYR A 28 -10.723 2.052 -5.441 1.00 20.42 H new ATOM 412 N ASP A 29 -9.500 7.583 1.692 1.00 14.20 N ATOM 413 CA ASP A 29 -9.213 8.015 3.078 1.00 2.45 C ATOM 414 C ASP A 29 -9.803 6.999 4.086 1.00 21.14 C ATOM 415 O ASP A 29 -10.949 7.118 4.544 1.00 21.31 O ATOM 416 CB ASP A 29 -9.709 9.476 3.302 1.00 61.32 C ATOM 417 CG ASP A 29 -11.180 9.712 2.900 1.00 34.54 C ATOM 418 OD1 ASP A 29 -11.467 9.787 1.682 1.00 14.14 O ATOM 419 OD2 ASP A 29 -12.053 9.805 3.794 1.00 35.42 O ATOM 0 H ASP A 29 -10.495 7.468 1.497 1.00 14.20 H new ATOM 0 HA ASP A 29 -8.137 8.028 3.249 1.00 2.45 H new ATOM 0 HB2 ASP A 29 -9.586 9.733 4.354 1.00 61.32 H new ATOM 0 HB3 ASP A 29 -9.075 10.155 2.732 1.00 61.32 H new ATOM 424 N THR A 30 -9.012 5.955 4.383 1.00 5.03 N ATOM 425 CA THR A 30 -9.426 4.828 5.261 1.00 63.32 C ATOM 426 C THR A 30 -8.306 4.461 6.268 1.00 1.21 C ATOM 427 O THR A 30 -7.248 5.105 6.300 1.00 24.25 O ATOM 428 CB THR A 30 -9.834 3.579 4.392 1.00 12.10 C ATOM 429 OG1 THR A 30 -10.317 2.502 5.222 1.00 0.52 O ATOM 430 CG2 THR A 30 -8.668 3.073 3.519 1.00 21.20 C ATOM 0 H THR A 30 -8.062 5.861 4.024 1.00 5.03 H new ATOM 0 HA THR A 30 -10.295 5.146 5.837 1.00 63.32 H new ATOM 0 HB THR A 30 -10.635 3.911 3.732 1.00 12.10 H new ATOM 0 HG1 THR A 30 -10.565 1.740 4.658 1.00 0.52 H new ATOM 0 HG21 THR A 30 -8.996 2.211 2.938 1.00 21.20 H new ATOM 0 HG22 THR A 30 -8.349 3.866 2.843 1.00 21.20 H new ATOM 0 HG23 THR A 30 -7.834 2.783 4.158 1.00 21.20 H new ATOM 438 N THR A 31 -8.552 3.430 7.101 1.00 12.54 N ATOM 439 CA THR A 31 -7.541 2.905 8.045 1.00 44.21 C ATOM 440 C THR A 31 -6.490 2.071 7.287 1.00 31.05 C ATOM 441 O THR A 31 -6.827 1.068 6.656 1.00 64.22 O ATOM 442 CB THR A 31 -8.177 1.998 9.165 1.00 13.24 C ATOM 443 OG1 THR A 31 -9.415 2.559 9.619 1.00 21.22 O ATOM 444 CG2 THR A 31 -7.232 1.839 10.375 1.00 3.35 C ATOM 0 H THR A 31 -9.446 2.941 7.140 1.00 12.54 H new ATOM 0 HA THR A 31 -7.081 3.771 8.521 1.00 44.21 H new ATOM 0 HB THR A 31 -8.350 1.017 8.723 1.00 13.24 H new ATOM 0 HG1 THR A 31 -10.163 2.049 9.243 1.00 21.22 H new ATOM 0 HG21 THR A 31 -7.706 1.207 11.126 1.00 3.35 H new ATOM 0 HG22 THR A 31 -6.299 1.379 10.050 1.00 3.35 H new ATOM 0 HG23 THR A 31 -7.023 2.819 10.805 1.00 3.35 H new ATOM 452 N ALA A 32 -5.226 2.491 7.355 1.00 42.43 N ATOM 453 CA ALA A 32 -4.094 1.767 6.754 1.00 61.31 C ATOM 454 C ALA A 32 -3.283 1.058 7.864 1.00 74.50 C ATOM 455 O ALA A 32 -3.238 1.521 9.009 1.00 74.40 O ATOM 456 CB ALA A 32 -3.223 2.734 5.946 1.00 34.10 C ATOM 0 H ALA A 32 -4.952 3.350 7.832 1.00 42.43 H new ATOM 0 HA ALA A 32 -4.465 1.005 6.068 1.00 61.31 H new ATOM 0 HB1 ALA A 32 -2.388 2.190 5.505 1.00 34.10 H new ATOM 0 HB2 ALA A 32 -3.820 3.186 5.154 1.00 34.10 H new ATOM 0 HB3 ALA A 32 -2.840 3.515 6.603 1.00 34.10 H new ATOM 462 N TYR A 33 -2.654 -0.074 7.524 1.00 34.40 N ATOM 463 CA TYR A 33 -1.959 -0.945 8.497 1.00 51.32 C ATOM 464 C TYR A 33 -0.517 -1.265 8.050 1.00 41.15 C ATOM 465 O TYR A 33 -0.224 -1.425 6.857 1.00 52.35 O ATOM 466 CB TYR A 33 -2.756 -2.269 8.718 1.00 21.24 C ATOM 467 CG TYR A 33 -4.111 -2.075 9.412 1.00 5.24 C ATOM 468 CD1 TYR A 33 -4.182 -1.877 10.793 1.00 44.01 C ATOM 469 CD2 TYR A 33 -5.315 -2.065 8.693 1.00 54.51 C ATOM 470 CE1 TYR A 33 -5.390 -1.679 11.429 1.00 2.53 C ATOM 471 CE2 TYR A 33 -6.527 -1.872 9.332 1.00 3.23 C ATOM 472 CZ TYR A 33 -6.559 -1.677 10.700 1.00 24.23 C ATOM 473 OH TYR A 33 -7.766 -1.463 11.342 1.00 2.42 O ATOM 0 H TYR A 33 -2.609 -0.418 6.565 1.00 34.40 H new ATOM 0 HA TYR A 33 -1.905 -0.399 9.439 1.00 51.32 H new ATOM 0 HB2 TYR A 33 -2.919 -2.748 7.753 1.00 21.24 H new ATOM 0 HB3 TYR A 33 -2.149 -2.951 9.313 1.00 21.24 H new ATOM 0 HD1 TYR A 33 -3.272 -1.879 11.375 1.00 44.01 H new ATOM 0 HD2 TYR A 33 -5.296 -2.210 7.623 1.00 54.51 H new ATOM 0 HE1 TYR A 33 -5.419 -1.526 12.498 1.00 2.53 H new ATOM 0 HE2 TYR A 33 -7.445 -1.874 8.764 1.00 3.23 H new ATOM 0 HH TYR A 33 -8.494 -1.491 10.687 1.00 2.42 H new ATOM 483 N VAL A 34 0.365 -1.320 9.050 1.00 34.13 N ATOM 484 CA VAL A 34 1.755 -1.783 8.923 1.00 62.13 C ATOM 485 C VAL A 34 1.793 -3.258 9.390 1.00 0.24 C ATOM 486 O VAL A 34 1.580 -3.521 10.576 1.00 2.34 O ATOM 487 CB VAL A 34 2.695 -0.885 9.821 1.00 21.11 C ATOM 488 CG1 VAL A 34 4.176 -1.284 9.678 1.00 24.41 C ATOM 489 CG2 VAL A 34 2.492 0.622 9.510 1.00 13.04 C ATOM 0 H VAL A 34 0.128 -1.036 10.001 1.00 34.13 H new ATOM 0 HA VAL A 34 2.106 -1.708 7.894 1.00 62.13 H new ATOM 0 HB VAL A 34 2.411 -1.058 10.859 1.00 21.11 H new ATOM 0 HG11 VAL A 34 4.788 -0.642 10.312 1.00 24.41 H new ATOM 0 HG12 VAL A 34 4.304 -2.323 9.982 1.00 24.41 H new ATOM 0 HG13 VAL A 34 4.485 -1.169 8.639 1.00 24.41 H new ATOM 0 HG21 VAL A 34 3.152 1.216 10.143 1.00 13.04 H new ATOM 0 HG22 VAL A 34 2.726 0.812 8.462 1.00 13.04 H new ATOM 0 HG23 VAL A 34 1.456 0.898 9.706 1.00 13.04 H new ATOM 499 N VAL A 35 1.994 -4.226 8.462 1.00 20.14 N ATOM 500 CA VAL A 35 1.831 -5.684 8.779 1.00 33.12 C ATOM 501 C VAL A 35 3.084 -6.541 8.451 1.00 52.30 C ATOM 502 O VAL A 35 3.828 -6.255 7.521 1.00 61.22 O ATOM 503 CB VAL A 35 0.575 -6.300 8.047 1.00 14.43 C ATOM 504 CG1 VAL A 35 -0.741 -5.651 8.547 1.00 22.52 C ATOM 505 CG2 VAL A 35 0.704 -6.192 6.504 1.00 3.42 C ATOM 0 H VAL A 35 2.266 -4.037 7.497 1.00 20.14 H new ATOM 0 HA VAL A 35 1.685 -5.720 9.859 1.00 33.12 H new ATOM 0 HB VAL A 35 0.539 -7.360 8.298 1.00 14.43 H new ATOM 0 HG11 VAL A 35 -1.588 -6.096 8.024 1.00 22.52 H new ATOM 0 HG12 VAL A 35 -0.846 -5.821 9.619 1.00 22.52 H new ATOM 0 HG13 VAL A 35 -0.716 -4.579 8.350 1.00 22.52 H new ATOM 0 HG21 VAL A 35 -0.178 -6.626 6.034 1.00 3.42 H new ATOM 0 HG22 VAL A 35 0.789 -5.143 6.218 1.00 3.42 H new ATOM 0 HG23 VAL A 35 1.593 -6.731 6.175 1.00 3.42 H new ATOM 515 N SER A 36 3.293 -7.609 9.250 1.00 23.21 N ATOM 516 CA SER A 36 4.366 -8.619 9.031 1.00 50.13 C ATOM 517 C SER A 36 3.753 -10.010 8.755 1.00 32.14 C ATOM 518 O SER A 36 2.999 -10.522 9.578 1.00 32.43 O ATOM 519 CB SER A 36 5.284 -8.693 10.272 1.00 2.32 C ATOM 520 OG SER A 36 6.312 -9.659 10.111 1.00 71.44 O ATOM 0 H SER A 36 2.721 -7.801 10.072 1.00 23.21 H new ATOM 0 HA SER A 36 4.953 -8.315 8.165 1.00 50.13 H new ATOM 0 HB2 SER A 36 5.730 -7.715 10.453 1.00 2.32 H new ATOM 0 HB3 SER A 36 4.688 -8.940 11.151 1.00 2.32 H new ATOM 0 HG SER A 36 7.186 -9.222 10.183 1.00 71.44 H new ATOM 526 N TYR A 37 4.118 -10.644 7.629 1.00 63.04 N ATOM 527 CA TYR A 37 3.466 -11.906 7.174 1.00 60.24 C ATOM 528 C TYR A 37 4.435 -12.785 6.360 1.00 13.15 C ATOM 529 O TYR A 37 5.379 -12.281 5.741 1.00 15.44 O ATOM 530 CB TYR A 37 2.195 -11.593 6.324 1.00 33.52 C ATOM 531 CG TYR A 37 2.470 -10.776 5.047 1.00 24.13 C ATOM 532 CD1 TYR A 37 2.522 -9.382 5.084 1.00 11.33 C ATOM 533 CD2 TYR A 37 2.697 -11.401 3.811 1.00 50.14 C ATOM 534 CE1 TYR A 37 2.780 -8.647 3.952 1.00 65.52 C ATOM 535 CE2 TYR A 37 2.963 -10.662 2.675 1.00 44.12 C ATOM 536 CZ TYR A 37 3.004 -9.284 2.753 1.00 32.43 C ATOM 537 OH TYR A 37 3.271 -8.535 1.627 1.00 72.15 O ATOM 0 H TYR A 37 4.858 -10.313 7.011 1.00 63.04 H new ATOM 0 HA TYR A 37 3.174 -12.459 8.066 1.00 60.24 H new ATOM 0 HB2 TYR A 37 1.719 -12.533 6.044 1.00 33.52 H new ATOM 0 HB3 TYR A 37 1.483 -11.048 6.944 1.00 33.52 H new ATOM 0 HD1 TYR A 37 2.356 -8.871 6.021 1.00 11.33 H new ATOM 0 HD2 TYR A 37 2.663 -12.479 3.747 1.00 50.14 H new ATOM 0 HE1 TYR A 37 2.807 -7.569 4.003 1.00 65.52 H new ATOM 0 HE2 TYR A 37 3.138 -11.159 1.732 1.00 44.12 H new ATOM 0 HH TYR A 37 3.709 -7.698 1.887 1.00 72.15 H new ATOM 547 N THR A 38 4.155 -14.097 6.324 1.00 25.52 N ATOM 548 CA THR A 38 4.943 -15.070 5.539 1.00 65.51 C ATOM 549 C THR A 38 4.152 -15.490 4.278 1.00 73.25 C ATOM 550 O THR A 38 3.032 -15.999 4.411 1.00 43.31 O ATOM 551 CB THR A 38 5.284 -16.348 6.372 1.00 42.21 C ATOM 552 OG1 THR A 38 5.940 -15.971 7.594 1.00 65.21 O ATOM 553 CG2 THR A 38 6.194 -17.327 5.590 1.00 24.03 C ATOM 0 H THR A 38 3.379 -14.516 6.836 1.00 25.52 H new ATOM 0 HA THR A 38 5.877 -14.583 5.258 1.00 65.51 H new ATOM 0 HB THR A 38 4.344 -16.857 6.586 1.00 42.21 H new ATOM 0 HG1 THR A 38 6.427 -16.741 7.955 1.00 65.21 H new ATOM 0 HG21 THR A 38 6.405 -18.200 6.208 1.00 24.03 H new ATOM 0 HG22 THR A 38 5.689 -17.642 4.677 1.00 24.03 H new ATOM 0 HG23 THR A 38 7.129 -16.829 5.334 1.00 24.03 H new ATOM 561 N PRO A 39 4.695 -15.240 3.040 1.00 55.24 N ATOM 562 CA PRO A 39 4.130 -15.804 1.782 1.00 0.20 C ATOM 563 C PRO A 39 3.993 -17.362 1.836 1.00 62.02 C ATOM 564 O PRO A 39 4.979 -18.075 2.069 1.00 20.21 O ATOM 565 CB PRO A 39 5.146 -15.339 0.705 1.00 13.42 C ATOM 566 CG PRO A 39 5.740 -14.088 1.280 1.00 0.22 C ATOM 567 CD PRO A 39 5.850 -14.343 2.764 1.00 15.35 C ATOM 0 HA PRO A 39 3.114 -15.463 1.584 1.00 0.20 H new ATOM 0 HB2 PRO A 39 5.909 -16.096 0.523 1.00 13.42 H new ATOM 0 HB3 PRO A 39 4.655 -15.146 -0.249 1.00 13.42 H new ATOM 0 HG2 PRO A 39 6.717 -13.880 0.843 1.00 0.22 H new ATOM 0 HG3 PRO A 39 5.109 -13.223 1.075 1.00 0.22 H new ATOM 0 HD2 PRO A 39 6.798 -14.815 3.022 1.00 15.35 H new ATOM 0 HD3 PRO A 39 5.788 -13.418 3.337 1.00 15.35 H new ATOM 575 N THR A 40 2.757 -17.860 1.593 1.00 24.42 N ATOM 576 CA THR A 40 2.345 -19.277 1.855 1.00 21.53 C ATOM 577 C THR A 40 3.101 -20.348 1.016 1.00 74.30 C ATOM 578 O THR A 40 2.978 -21.550 1.289 1.00 64.21 O ATOM 579 CB THR A 40 0.803 -19.464 1.616 1.00 13.20 C ATOM 580 OG1 THR A 40 0.484 -19.265 0.224 1.00 1.24 O ATOM 581 CG2 THR A 40 -0.037 -18.495 2.468 1.00 5.14 C ATOM 0 H THR A 40 2.004 -17.291 1.206 1.00 24.42 H new ATOM 0 HA THR A 40 2.611 -19.444 2.899 1.00 21.53 H new ATOM 0 HB THR A 40 0.557 -20.483 1.915 1.00 13.20 H new ATOM 0 HG1 THR A 40 -0.479 -19.386 0.089 1.00 1.24 H new ATOM 0 HG21 THR A 40 -1.096 -18.661 2.270 1.00 5.14 H new ATOM 0 HG22 THR A 40 0.166 -18.670 3.525 1.00 5.14 H new ATOM 0 HG23 THR A 40 0.223 -17.468 2.214 1.00 5.14 H new ATOM 589 N ASN A 41 3.877 -19.917 0.006 1.00 64.50 N ATOM 590 CA ASN A 41 4.639 -20.842 -0.879 1.00 64.22 C ATOM 591 C ASN A 41 6.072 -21.115 -0.343 1.00 71.00 C ATOM 592 O ASN A 41 6.888 -21.742 -1.032 1.00 5.13 O ATOM 593 CB ASN A 41 4.709 -20.259 -2.314 1.00 40.20 C ATOM 594 CG ASN A 41 3.341 -19.926 -2.912 1.00 21.42 C ATOM 595 OD1 ASN A 41 3.291 -18.936 -3.784 1.00 34.20 O flip ATOM 596 ND2 ASN A 41 2.340 -20.561 -2.610 1.00 24.41 N flip ATOM 0 H ASN A 41 3.999 -18.931 -0.226 1.00 64.50 H new ATOM 0 HA ASN A 41 4.110 -21.795 -0.895 1.00 64.22 H new ATOM 0 HB2 ASN A 41 5.319 -19.356 -2.300 1.00 40.20 H new ATOM 0 HB3 ASN A 41 5.214 -20.974 -2.963 1.00 40.20 H new ATOM 0 HD21 ASN A 41 2.403 -21.322 -1.934 1.00 24.41 H new ATOM 0 HD22 ASN A 41 1.442 -20.330 -3.035 1.00 24.41 H new ATOM 603 N GLY A 42 6.358 -20.682 0.898 1.00 63.02 N ATOM 604 CA GLY A 42 7.712 -20.752 1.461 1.00 44.31 C ATOM 605 C GLY A 42 8.569 -19.563 1.034 1.00 54.22 C ATOM 606 O GLY A 42 9.716 -19.726 0.602 1.00 71.33 O ATOM 0 H GLY A 42 5.665 -20.279 1.529 1.00 63.02 H new ATOM 0 HA2 GLY A 42 7.651 -20.784 2.549 1.00 44.31 H new ATOM 0 HA3 GLY A 42 8.191 -21.678 1.141 1.00 44.31 H new ATOM 610 N GLY A 43 7.988 -18.360 1.153 1.00 61.02 N ATOM 611 CA GLY A 43 8.654 -17.106 0.768 1.00 11.43 C ATOM 612 C GLY A 43 9.224 -16.353 1.970 1.00 60.24 C ATOM 613 O GLY A 43 8.808 -16.600 3.111 1.00 34.34 O ATOM 0 H GLY A 43 7.045 -18.229 1.518 1.00 61.02 H new ATOM 0 HA2 GLY A 43 9.459 -17.326 0.066 1.00 11.43 H new ATOM 0 HA3 GLY A 43 7.943 -16.466 0.246 1.00 11.43 H new ATOM 617 N GLN A 44 10.177 -15.432 1.722 1.00 1.21 N ATOM 618 CA GLN A 44 10.770 -14.577 2.780 1.00 64.40 C ATOM 619 C GLN A 44 9.693 -13.665 3.414 1.00 62.30 C ATOM 620 O GLN A 44 8.945 -12.998 2.687 1.00 52.42 O ATOM 621 CB GLN A 44 11.918 -13.710 2.200 1.00 0.31 C ATOM 622 CG GLN A 44 13.109 -14.508 1.632 1.00 52.02 C ATOM 623 CD GLN A 44 14.225 -13.618 1.060 1.00 71.34 C ATOM 624 OE1 GLN A 44 13.974 -12.526 0.556 1.00 10.03 O ATOM 625 NE2 GLN A 44 15.464 -14.077 1.135 1.00 34.24 N ATOM 0 H GLN A 44 10.557 -15.258 0.792 1.00 1.21 H new ATOM 0 HA GLN A 44 11.176 -15.230 3.553 1.00 64.40 H new ATOM 0 HB2 GLN A 44 11.513 -13.078 1.410 1.00 0.31 H new ATOM 0 HB3 GLN A 44 12.284 -13.046 2.983 1.00 0.31 H new ATOM 0 HG2 GLN A 44 13.524 -15.137 2.420 1.00 52.02 H new ATOM 0 HG3 GLN A 44 12.749 -15.175 0.848 1.00 52.02 H new ATOM 0 HE21 GLN A 44 15.646 -14.987 1.558 1.00 34.24 H new ATOM 0 HE22 GLN A 44 16.237 -13.521 0.770 1.00 34.24 H new ATOM 634 N ARG A 45 9.623 -13.651 4.761 1.00 13.05 N ATOM 635 CA ARG A 45 8.625 -12.849 5.496 1.00 64.43 C ATOM 636 C ARG A 45 8.841 -11.336 5.273 1.00 51.33 C ATOM 637 O ARG A 45 9.930 -10.803 5.524 1.00 11.53 O ATOM 638 CB ARG A 45 8.644 -13.176 7.017 1.00 2.33 C ATOM 639 CG ARG A 45 7.818 -12.196 7.903 1.00 51.25 C ATOM 640 CD ARG A 45 7.671 -12.663 9.360 1.00 74.24 C ATOM 641 NE ARG A 45 6.885 -13.903 9.462 1.00 33.41 N ATOM 642 CZ ARG A 45 6.503 -14.482 10.583 1.00 74.10 C ATOM 643 NH1 ARG A 45 6.813 -13.985 11.742 1.00 30.41 N ATOM 644 NH2 ARG A 45 5.806 -15.560 10.527 1.00 31.53 N ATOM 0 H ARG A 45 10.248 -14.188 5.363 1.00 13.05 H new ATOM 0 HA ARG A 45 7.646 -13.116 5.099 1.00 64.43 H new ATOM 0 HB2 ARG A 45 8.262 -14.186 7.163 1.00 2.33 H new ATOM 0 HB3 ARG A 45 9.678 -13.174 7.363 1.00 2.33 H new ATOM 0 HG2 ARG A 45 8.296 -11.216 7.890 1.00 51.25 H new ATOM 0 HG3 ARG A 45 6.826 -12.073 7.467 1.00 51.25 H new ATOM 0 HD2 ARG A 45 8.659 -12.823 9.791 1.00 74.24 H new ATOM 0 HD3 ARG A 45 7.191 -11.879 9.946 1.00 74.24 H new ATOM 0 HE ARG A 45 6.612 -14.354 8.589 1.00 33.41 H new ATOM 0 HH11 ARG A 45 7.364 -13.128 11.799 1.00 30.41 H new ATOM 0 HH12 ARG A 45 6.506 -14.451 12.596 1.00 30.41 H new ATOM 0 HH21 ARG A 45 5.554 -15.958 9.622 1.00 31.53 H new ATOM 0 HH22 ARG A 45 5.504 -16.018 11.387 1.00 31.53 H new ATOM 658 N VAL A 46 7.789 -10.669 4.794 1.00 31.53 N ATOM 659 CA VAL A 46 7.783 -9.217 4.596 1.00 43.31 C ATOM 660 C VAL A 46 7.355 -8.519 5.907 1.00 71.03 C ATOM 661 O VAL A 46 6.212 -8.656 6.353 1.00 22.31 O ATOM 662 CB VAL A 46 6.847 -8.813 3.400 1.00 43.20 C ATOM 663 CG1 VAL A 46 6.773 -7.277 3.209 1.00 11.31 C ATOM 664 CG2 VAL A 46 7.313 -9.504 2.094 1.00 33.21 C ATOM 0 H VAL A 46 6.914 -11.122 4.531 1.00 31.53 H new ATOM 0 HA VAL A 46 8.790 -8.890 4.338 1.00 43.31 H new ATOM 0 HB VAL A 46 5.841 -9.155 3.643 1.00 43.20 H new ATOM 0 HG11 VAL A 46 6.115 -7.046 2.371 1.00 11.31 H new ATOM 0 HG12 VAL A 46 6.382 -6.816 4.116 1.00 11.31 H new ATOM 0 HG13 VAL A 46 7.770 -6.887 3.005 1.00 11.31 H new ATOM 0 HG21 VAL A 46 6.655 -9.215 1.275 1.00 33.21 H new ATOM 0 HG22 VAL A 46 8.334 -9.198 1.865 1.00 33.21 H new ATOM 0 HG23 VAL A 46 7.278 -10.586 2.222 1.00 33.21 H new ATOM 674 N ASP A 47 8.300 -7.783 6.510 1.00 60.51 N ATOM 675 CA ASP A 47 8.101 -7.071 7.786 1.00 20.12 C ATOM 676 C ASP A 47 7.773 -5.593 7.521 1.00 52.31 C ATOM 677 O ASP A 47 8.336 -4.991 6.594 1.00 70.33 O ATOM 678 CB ASP A 47 9.367 -7.173 8.665 1.00 32.40 C ATOM 679 CG ASP A 47 9.666 -8.613 9.108 1.00 23.34 C ATOM 680 OD1 ASP A 47 10.317 -9.359 8.347 1.00 20.54 O ATOM 681 OD2 ASP A 47 9.246 -9.006 10.222 1.00 34.20 O ATOM 0 H ASP A 47 9.236 -7.662 6.123 1.00 60.51 H new ATOM 0 HA ASP A 47 7.267 -7.535 8.313 1.00 20.12 H new ATOM 0 HB2 ASP A 47 10.221 -6.783 8.112 1.00 32.40 H new ATOM 0 HB3 ASP A 47 9.244 -6.544 9.547 1.00 32.40 H new ATOM 686 N HIS A 48 6.880 -5.017 8.352 1.00 63.03 N ATOM 687 CA HIS A 48 6.484 -3.591 8.271 1.00 45.42 C ATOM 688 C HIS A 48 5.940 -3.195 6.868 1.00 74.21 C ATOM 689 O HIS A 48 6.132 -2.062 6.419 1.00 44.21 O ATOM 690 CB HIS A 48 7.670 -2.670 8.691 1.00 5.43 C ATOM 691 CG HIS A 48 8.223 -2.961 10.061 1.00 12.43 C ATOM 692 ND1 HIS A 48 9.566 -3.143 10.303 1.00 33.01 N ATOM 693 CD2 HIS A 48 7.612 -3.093 11.263 1.00 74.50 C ATOM 694 CE1 HIS A 48 9.760 -3.365 11.583 1.00 52.30 C ATOM 695 NE2 HIS A 48 8.592 -3.345 12.193 1.00 44.12 N ATOM 0 H HIS A 48 6.411 -5.527 9.101 1.00 63.03 H new ATOM 0 HA HIS A 48 5.661 -3.449 8.972 1.00 45.42 H new ATOM 0 HB2 HIS A 48 8.471 -2.772 7.959 1.00 5.43 H new ATOM 0 HB3 HIS A 48 7.338 -1.632 8.658 1.00 5.43 H new ATOM 0 HD2 HIS A 48 6.552 -3.015 11.455 1.00 74.50 H new ATOM 0 HE1 HIS A 48 10.716 -3.535 12.056 1.00 52.30 H new ATOM 0 HE2 HIS A 48 8.440 -3.492 13.191 1.00 44.12 H new ATOM 704 N HIS A 49 5.226 -4.139 6.222 1.00 73.44 N ATOM 705 CA HIS A 49 4.676 -3.967 4.858 1.00 72.11 C ATOM 706 C HIS A 49 3.736 -2.744 4.774 1.00 51.12 C ATOM 707 O HIS A 49 2.705 -2.680 5.462 1.00 53.11 O ATOM 708 CB HIS A 49 3.928 -5.250 4.400 1.00 74.24 C ATOM 709 CG HIS A 49 3.341 -5.184 3.001 1.00 24.14 C ATOM 710 ND1 HIS A 49 4.078 -5.532 1.892 1.00 53.53 N ATOM 711 CD2 HIS A 49 2.097 -4.819 2.594 1.00 61.14 C ATOM 712 CE1 HIS A 49 3.276 -5.371 0.852 1.00 5.44 C ATOM 713 NE2 HIS A 49 2.070 -4.940 1.231 1.00 23.11 N ATOM 0 H HIS A 49 5.012 -5.048 6.633 1.00 73.44 H new ATOM 0 HA HIS A 49 5.517 -3.791 4.188 1.00 72.11 H new ATOM 0 HB2 HIS A 49 4.618 -6.092 4.449 1.00 74.24 H new ATOM 0 HB3 HIS A 49 3.124 -5.455 5.106 1.00 74.24 H new ATOM 0 HD2 HIS A 49 1.284 -4.495 3.226 1.00 61.14 H new ATOM 0 HE1 HIS A 49 3.560 -5.563 -0.172 1.00 5.44 H new ATOM 0 HE2 HIS A 49 1.278 -4.739 0.620 1.00 23.11 H new ATOM 721 N LYS A 50 4.120 -1.774 3.931 1.00 62.34 N ATOM 722 CA LYS A 50 3.326 -0.569 3.654 1.00 44.33 C ATOM 723 C LYS A 50 2.935 -0.510 2.145 1.00 34.44 C ATOM 724 O LYS A 50 3.785 -0.729 1.280 1.00 21.21 O ATOM 725 CB LYS A 50 4.122 0.707 4.047 1.00 13.33 C ATOM 726 CG LYS A 50 4.289 0.924 5.571 1.00 65.50 C ATOM 727 CD LYS A 50 5.069 2.218 5.890 1.00 4.14 C ATOM 728 CE LYS A 50 5.169 2.512 7.395 1.00 20.03 C ATOM 729 NZ LYS A 50 5.933 3.760 7.649 1.00 64.13 N ATOM 0 H LYS A 50 5.000 -1.805 3.417 1.00 62.34 H new ATOM 0 HA LYS A 50 2.415 -0.613 4.251 1.00 44.33 H new ATOM 0 HB2 LYS A 50 5.111 0.656 3.591 1.00 13.33 H new ATOM 0 HB3 LYS A 50 3.620 1.577 3.623 1.00 13.33 H new ATOM 0 HG2 LYS A 50 3.306 0.968 6.041 1.00 65.50 H new ATOM 0 HG3 LYS A 50 4.811 0.070 6.004 1.00 65.50 H new ATOM 0 HD2 LYS A 50 6.074 2.140 5.475 1.00 4.14 H new ATOM 0 HD3 LYS A 50 4.583 3.058 5.394 1.00 4.14 H new ATOM 0 HE2 LYS A 50 4.168 2.603 7.818 1.00 20.03 H new ATOM 0 HE3 LYS A 50 5.654 1.677 7.900 1.00 20.03 H new ATOM 0 HZ1 LYS A 50 5.984 3.933 8.673 1.00 64.13 H new ATOM 0 HZ2 LYS A 50 6.895 3.662 7.266 1.00 64.13 H new ATOM 0 HZ3 LYS A 50 5.456 4.560 7.186 1.00 64.13 H new ATOM 743 N TRP A 51 1.650 -0.263 1.802 1.00 4.01 N ATOM 744 CA TRP A 51 0.504 -0.248 2.750 1.00 44.20 C ATOM 745 C TRP A 51 -0.545 -1.322 2.387 1.00 13.15 C ATOM 746 O TRP A 51 -0.659 -1.752 1.233 1.00 4.21 O ATOM 747 CB TRP A 51 -0.178 1.149 2.786 1.00 63.54 C ATOM 748 CG TRP A 51 0.680 2.276 3.313 1.00 2.42 C ATOM 749 CD1 TRP A 51 1.476 3.127 2.592 1.00 71.33 C ATOM 750 CD2 TRP A 51 0.811 2.676 4.685 1.00 30.01 C ATOM 751 NE1 TRP A 51 2.081 4.024 3.431 1.00 5.02 N ATOM 752 CE2 TRP A 51 1.686 3.773 4.718 1.00 45.31 C ATOM 753 CE3 TRP A 51 0.261 2.215 5.889 1.00 71.12 C ATOM 754 CZ2 TRP A 51 2.027 4.415 5.902 1.00 61.24 C ATOM 755 CZ3 TRP A 51 0.602 2.850 7.064 1.00 5.41 C ATOM 756 CH2 TRP A 51 1.474 3.943 7.063 1.00 43.11 C ATOM 0 H TRP A 51 1.372 -0.064 0.841 1.00 4.01 H new ATOM 0 HA TRP A 51 0.908 -0.472 3.737 1.00 44.20 H new ATOM 0 HB2 TRP A 51 -0.501 1.403 1.776 1.00 63.54 H new ATOM 0 HB3 TRP A 51 -1.076 1.081 3.400 1.00 63.54 H new ATOM 0 HD1 TRP A 51 1.607 3.095 1.520 1.00 71.33 H new ATOM 0 HE1 TRP A 51 2.724 4.762 3.143 1.00 5.02 H new ATOM 0 HE3 TRP A 51 -0.419 1.376 5.896 1.00 71.12 H new ATOM 0 HZ2 TRP A 51 2.704 5.256 5.907 1.00 61.24 H new ATOM 0 HZ3 TRP A 51 0.190 2.498 7.998 1.00 5.41 H new ATOM 0 HH2 TRP A 51 1.717 4.426 7.998 1.00 43.11 H new ATOM 767 N VAL A 52 -1.292 -1.734 3.414 1.00 73.44 N ATOM 768 CA VAL A 52 -2.532 -2.526 3.284 1.00 32.21 C ATOM 769 C VAL A 52 -3.669 -1.742 3.960 1.00 41.42 C ATOM 770 O VAL A 52 -3.430 -0.999 4.913 1.00 32.41 O ATOM 771 CB VAL A 52 -2.423 -3.970 3.916 1.00 55.42 C ATOM 772 CG1 VAL A 52 -1.449 -4.869 3.121 1.00 43.23 C ATOM 773 CG2 VAL A 52 -2.033 -3.913 5.412 1.00 53.23 C ATOM 0 H VAL A 52 -1.052 -1.525 4.383 1.00 73.44 H new ATOM 0 HA VAL A 52 -2.726 -2.677 2.222 1.00 32.21 H new ATOM 0 HB VAL A 52 -3.414 -4.420 3.852 1.00 55.42 H new ATOM 0 HG11 VAL A 52 -1.401 -5.854 3.586 1.00 43.23 H new ATOM 0 HG12 VAL A 52 -1.802 -4.969 2.095 1.00 43.23 H new ATOM 0 HG13 VAL A 52 -0.456 -4.419 3.121 1.00 43.23 H new ATOM 0 HG21 VAL A 52 -1.968 -4.926 5.810 1.00 53.23 H new ATOM 0 HG22 VAL A 52 -1.067 -3.419 5.518 1.00 53.23 H new ATOM 0 HG23 VAL A 52 -2.789 -3.354 5.964 1.00 53.23 H new ATOM 783 N ILE A 53 -4.895 -1.877 3.457 1.00 33.23 N ATOM 784 CA ILE A 53 -6.057 -1.137 4.009 1.00 54.04 C ATOM 785 C ILE A 53 -6.953 -2.033 4.892 1.00 44.11 C ATOM 786 O ILE A 53 -6.744 -3.241 5.007 1.00 73.21 O ATOM 787 CB ILE A 53 -6.902 -0.475 2.863 1.00 2.35 C ATOM 788 CG1 ILE A 53 -7.401 -1.550 1.837 1.00 31.32 C ATOM 789 CG2 ILE A 53 -6.080 0.637 2.162 1.00 11.33 C ATOM 790 CD1 ILE A 53 -8.250 -1.008 0.703 1.00 32.31 C ATOM 0 H ILE A 53 -5.122 -2.487 2.671 1.00 33.23 H new ATOM 0 HA ILE A 53 -5.655 -0.348 4.645 1.00 54.04 H new ATOM 0 HB ILE A 53 -7.785 -0.016 3.307 1.00 2.35 H new ATOM 0 HG12 ILE A 53 -6.534 -2.055 1.412 1.00 31.32 H new ATOM 0 HG13 ILE A 53 -7.977 -2.303 2.374 1.00 31.32 H new ATOM 0 HG21 ILE A 53 -6.678 1.087 1.370 1.00 11.33 H new ATOM 0 HG22 ILE A 53 -5.807 1.401 2.890 1.00 11.33 H new ATOM 0 HG23 ILE A 53 -5.176 0.205 1.733 1.00 11.33 H new ATOM 0 HD11 ILE A 53 -8.546 -1.827 0.047 1.00 32.31 H new ATOM 0 HD12 ILE A 53 -9.140 -0.530 1.111 1.00 32.31 H new ATOM 0 HD13 ILE A 53 -7.674 -0.278 0.134 1.00 32.31 H new ATOM 802 N GLN A 54 -7.901 -1.396 5.582 1.00 52.42 N ATOM 803 CA GLN A 54 -8.965 -2.073 6.351 1.00 35.21 C ATOM 804 C GLN A 54 -9.786 -3.095 5.500 1.00 32.45 C ATOM 805 O GLN A 54 -10.200 -4.148 6.002 1.00 60.30 O ATOM 806 CB GLN A 54 -9.872 -0.971 6.958 1.00 64.43 C ATOM 807 CG GLN A 54 -10.810 -1.428 8.085 1.00 31.32 C ATOM 808 CD GLN A 54 -11.473 -0.259 8.822 1.00 42.01 C ATOM 809 OE1 GLN A 54 -11.744 0.793 8.252 1.00 52.05 O ATOM 810 NE2 GLN A 54 -11.708 -0.422 10.100 1.00 62.13 N ATOM 0 H GLN A 54 -7.958 -0.379 5.627 1.00 52.42 H new ATOM 0 HA GLN A 54 -8.510 -2.674 7.138 1.00 35.21 H new ATOM 0 HB2 GLN A 54 -9.236 -0.173 7.341 1.00 64.43 H new ATOM 0 HB3 GLN A 54 -10.476 -0.542 6.159 1.00 64.43 H new ATOM 0 HG2 GLN A 54 -11.583 -2.073 7.668 1.00 31.32 H new ATOM 0 HG3 GLN A 54 -10.246 -2.028 8.799 1.00 31.32 H new ATOM 0 HE21 GLN A 54 -11.474 -1.306 10.553 1.00 62.13 H new ATOM 0 HE22 GLN A 54 -12.125 0.335 10.642 1.00 62.13 H new ATOM 819 N GLU A 55 -9.983 -2.778 4.204 1.00 22.13 N ATOM 820 CA GLU A 55 -10.738 -3.644 3.249 1.00 34.23 C ATOM 821 C GLU A 55 -9.856 -4.786 2.659 1.00 31.13 C ATOM 822 O GLU A 55 -10.338 -5.612 1.878 1.00 21.34 O ATOM 823 CB GLU A 55 -11.309 -2.761 2.106 1.00 50.03 C ATOM 824 CG GLU A 55 -12.116 -1.527 2.574 1.00 43.51 C ATOM 825 CD GLU A 55 -13.405 -1.877 3.347 1.00 5.14 C ATOM 826 OE1 GLU A 55 -13.360 -2.021 4.593 1.00 61.41 O ATOM 827 OE2 GLU A 55 -14.475 -2.007 2.704 1.00 4.44 O ATOM 0 H GLU A 55 -9.628 -1.920 3.782 1.00 22.13 H new ATOM 0 HA GLU A 55 -11.549 -4.123 3.797 1.00 34.23 H new ATOM 0 HB2 GLU A 55 -10.482 -2.421 1.483 1.00 50.03 H new ATOM 0 HB3 GLU A 55 -11.950 -3.378 1.476 1.00 50.03 H new ATOM 0 HG2 GLU A 55 -11.480 -0.909 3.208 1.00 43.51 H new ATOM 0 HG3 GLU A 55 -12.378 -0.926 1.704 1.00 43.51 H new ATOM 834 N GLU A 56 -8.570 -4.826 3.057 1.00 61.42 N ATOM 835 CA GLU A 56 -7.582 -5.845 2.599 1.00 32.22 C ATOM 836 C GLU A 56 -7.750 -7.180 3.379 1.00 60.33 C ATOM 837 O GLU A 56 -7.275 -8.242 2.947 1.00 63.33 O ATOM 838 CB GLU A 56 -6.125 -5.281 2.828 1.00 50.30 C ATOM 839 CG GLU A 56 -5.119 -5.510 1.692 1.00 12.52 C ATOM 840 CD GLU A 56 -5.409 -4.646 0.454 1.00 25.51 C ATOM 841 OE1 GLU A 56 -6.187 -5.076 -0.430 1.00 63.34 O ATOM 842 OE2 GLU A 56 -4.873 -3.524 0.370 1.00 53.14 O ATOM 0 H GLU A 56 -8.176 -4.150 3.711 1.00 61.42 H new ATOM 0 HA GLU A 56 -7.751 -6.047 1.541 1.00 32.22 H new ATOM 0 HB2 GLU A 56 -6.198 -4.209 3.009 1.00 50.30 H new ATOM 0 HB3 GLU A 56 -5.723 -5.731 3.736 1.00 50.30 H new ATOM 0 HG2 GLU A 56 -4.114 -5.292 2.054 1.00 12.52 H new ATOM 0 HG3 GLU A 56 -5.134 -6.562 1.407 1.00 12.52 H new ATOM 849 N ILE A 57 -8.439 -7.087 4.531 1.00 55.44 N ATOM 850 CA ILE A 57 -8.469 -8.126 5.579 1.00 12.41 C ATOM 851 C ILE A 57 -9.923 -8.594 5.860 1.00 44.32 C ATOM 852 O ILE A 57 -10.847 -7.776 5.889 1.00 61.54 O ATOM 853 CB ILE A 57 -7.843 -7.530 6.904 1.00 74.20 C ATOM 854 CG1 ILE A 57 -6.368 -7.046 6.658 1.00 70.34 C ATOM 855 CG2 ILE A 57 -7.913 -8.545 8.067 1.00 34.13 C ATOM 856 CD1 ILE A 57 -5.722 -6.290 7.816 1.00 10.04 C ATOM 0 H ILE A 57 -9.003 -6.270 4.765 1.00 55.44 H new ATOM 0 HA ILE A 57 -7.894 -8.987 5.238 1.00 12.41 H new ATOM 0 HB ILE A 57 -8.437 -6.663 7.192 1.00 74.20 H new ATOM 0 HG12 ILE A 57 -5.753 -7.916 6.427 1.00 70.34 H new ATOM 0 HG13 ILE A 57 -6.357 -6.404 5.777 1.00 70.34 H new ATOM 0 HG21 ILE A 57 -7.475 -8.104 8.962 1.00 34.13 H new ATOM 0 HG22 ILE A 57 -8.954 -8.803 8.262 1.00 34.13 H new ATOM 0 HG23 ILE A 57 -7.360 -9.445 7.798 1.00 34.13 H new ATOM 0 HD11 ILE A 57 -4.707 -6.002 7.542 1.00 10.04 H new ATOM 0 HD12 ILE A 57 -6.305 -5.396 8.037 1.00 10.04 H new ATOM 0 HD13 ILE A 57 -5.692 -6.931 8.697 1.00 10.04 H new ATOM 868 N LYS A 58 -10.108 -9.913 6.072 1.00 62.34 N ATOM 869 CA LYS A 58 -11.405 -10.495 6.514 1.00 71.03 C ATOM 870 C LYS A 58 -11.678 -10.232 8.016 1.00 31.14 C ATOM 871 O LYS A 58 -12.760 -9.758 8.394 1.00 71.24 O ATOM 872 CB LYS A 58 -11.461 -12.028 6.225 1.00 50.41 C ATOM 873 CG LYS A 58 -10.191 -12.829 6.574 1.00 31.32 C ATOM 874 CD LYS A 58 -10.346 -14.348 6.292 1.00 42.12 C ATOM 875 CE LYS A 58 -11.334 -15.043 7.244 1.00 71.33 C ATOM 876 NZ LYS A 58 -10.883 -14.979 8.660 1.00 55.30 N ATOM 0 H LYS A 58 -9.371 -10.607 5.944 1.00 62.34 H new ATOM 0 HA LYS A 58 -12.184 -9.997 5.937 1.00 71.03 H new ATOM 0 HB2 LYS A 58 -12.298 -12.452 6.780 1.00 50.41 H new ATOM 0 HB3 LYS A 58 -11.677 -12.170 5.166 1.00 50.41 H new ATOM 0 HG2 LYS A 58 -9.351 -12.440 5.998 1.00 31.32 H new ATOM 0 HG3 LYS A 58 -9.951 -12.681 7.627 1.00 31.32 H new ATOM 0 HD2 LYS A 58 -10.682 -14.488 5.265 1.00 42.12 H new ATOM 0 HD3 LYS A 58 -9.371 -14.828 6.377 1.00 42.12 H new ATOM 0 HE2 LYS A 58 -12.314 -14.575 7.154 1.00 71.33 H new ATOM 0 HE3 LYS A 58 -11.451 -16.085 6.948 1.00 71.33 H new ATOM 0 HZ1 LYS A 58 -10.824 -15.942 9.049 1.00 55.30 H new ATOM 0 HZ2 LYS A 58 -9.946 -14.529 8.706 1.00 55.30 H new ATOM 0 HZ3 LYS A 58 -11.563 -14.421 9.216 1.00 55.30 H new ATOM 890 N ASP A 59 -10.680 -10.538 8.864 1.00 72.22 N ATOM 891 CA ASP A 59 -10.797 -10.461 10.342 1.00 75.01 C ATOM 892 C ASP A 59 -10.935 -9.014 10.879 1.00 65.34 C ATOM 893 O ASP A 59 -11.109 -8.821 12.090 1.00 23.22 O ATOM 894 CB ASP A 59 -9.602 -11.185 10.990 1.00 23.41 C ATOM 895 CG ASP A 59 -9.546 -12.664 10.580 1.00 42.13 C ATOM 896 OD1 ASP A 59 -10.277 -13.483 11.167 1.00 53.33 O ATOM 897 OD2 ASP A 59 -8.812 -13.007 9.637 1.00 32.21 O ATOM 0 H ASP A 59 -9.761 -10.848 8.547 1.00 72.22 H new ATOM 0 HA ASP A 59 -11.725 -10.960 10.619 1.00 75.01 H new ATOM 0 HB2 ASP A 59 -8.675 -10.691 10.699 1.00 23.41 H new ATOM 0 HB3 ASP A 59 -9.676 -11.110 12.075 1.00 23.41 H new ATOM 902 N ALA A 60 -10.826 -8.006 9.986 1.00 4.22 N ATOM 903 CA ALA A 60 -11.148 -6.606 10.317 1.00 35.13 C ATOM 904 C ALA A 60 -12.630 -6.445 10.736 1.00 1.10 C ATOM 905 O ALA A 60 -12.913 -6.023 11.846 1.00 23.03 O ATOM 906 CB ALA A 60 -10.803 -5.674 9.136 1.00 14.32 C ATOM 0 H ALA A 60 -10.515 -8.141 9.024 1.00 4.22 H new ATOM 0 HA ALA A 60 -10.536 -6.318 11.172 1.00 35.13 H new ATOM 0 HB1 ALA A 60 -11.048 -4.645 9.401 1.00 14.32 H new ATOM 0 HB2 ALA A 60 -9.739 -5.748 8.913 1.00 14.32 H new ATOM 0 HB3 ALA A 60 -11.378 -5.970 8.259 1.00 14.32 H new ATOM 912 N GLY A 61 -13.573 -6.817 9.855 1.00 74.33 N ATOM 913 CA GLY A 61 -15.005 -6.524 10.085 1.00 25.35 C ATOM 914 C GLY A 61 -15.306 -5.022 10.060 1.00 72.40 C ATOM 915 O GLY A 61 -16.183 -4.544 10.791 1.00 73.15 O ATOM 0 H GLY A 61 -13.378 -7.315 8.987 1.00 74.33 H new ATOM 0 HA2 GLY A 61 -15.602 -7.024 9.323 1.00 25.35 H new ATOM 0 HA3 GLY A 61 -15.307 -6.936 11.048 1.00 25.35 H new ATOM 919 N ASP A 62 -14.537 -4.294 9.219 1.00 12.12 N ATOM 920 CA ASP A 62 -14.418 -2.807 9.197 1.00 11.34 C ATOM 921 C ASP A 62 -14.263 -2.151 10.615 1.00 60.43 C ATOM 922 O ASP A 62 -14.576 -0.969 10.805 1.00 5.11 O ATOM 923 CB ASP A 62 -15.531 -2.126 8.322 1.00 2.45 C ATOM 924 CG ASP A 62 -16.966 -2.187 8.884 1.00 72.13 C ATOM 925 OD1 ASP A 62 -17.345 -1.298 9.684 1.00 1.10 O ATOM 926 OD2 ASP A 62 -17.727 -3.112 8.515 1.00 44.21 O ATOM 0 H ASP A 62 -13.957 -4.738 8.507 1.00 12.12 H new ATOM 0 HA ASP A 62 -13.469 -2.607 8.700 1.00 11.34 H new ATOM 0 HB2 ASP A 62 -15.263 -1.079 8.179 1.00 2.45 H new ATOM 0 HB3 ASP A 62 -15.528 -2.594 7.337 1.00 2.45 H new ATOM 931 N LYS A 63 -13.680 -2.901 11.579 1.00 15.21 N ATOM 932 CA LYS A 63 -13.367 -2.372 12.939 1.00 31.41 C ATOM 933 C LYS A 63 -11.866 -2.003 13.018 1.00 42.13 C ATOM 934 O LYS A 63 -11.068 -2.406 12.157 1.00 43.32 O ATOM 935 CB LYS A 63 -13.744 -3.395 14.065 1.00 51.11 C ATOM 936 CG LYS A 63 -12.645 -4.428 14.421 1.00 33.52 C ATOM 937 CD LYS A 63 -13.123 -5.511 15.411 1.00 52.24 C ATOM 938 CE LYS A 63 -12.045 -6.573 15.692 1.00 14.04 C ATOM 939 NZ LYS A 63 -12.471 -7.560 16.719 1.00 20.21 N ATOM 0 H LYS A 63 -13.414 -3.877 11.445 1.00 15.21 H new ATOM 0 HA LYS A 63 -13.970 -1.479 13.104 1.00 31.41 H new ATOM 0 HB2 LYS A 63 -14.001 -2.839 14.966 1.00 51.11 H new ATOM 0 HB3 LYS A 63 -14.640 -3.935 13.757 1.00 51.11 H new ATOM 0 HG2 LYS A 63 -12.298 -4.909 13.506 1.00 33.52 H new ATOM 0 HG3 LYS A 63 -11.790 -3.905 14.850 1.00 33.52 H new ATOM 0 HD2 LYS A 63 -13.415 -5.038 16.349 1.00 52.24 H new ATOM 0 HD3 LYS A 63 -14.012 -5.998 15.010 1.00 52.24 H new ATOM 0 HE2 LYS A 63 -11.806 -7.097 14.767 1.00 14.04 H new ATOM 0 HE3 LYS A 63 -11.132 -6.080 16.024 1.00 14.04 H new ATOM 0 HZ1 LYS A 63 -11.710 -8.253 16.871 1.00 20.21 H new ATOM 0 HZ2 LYS A 63 -12.674 -7.066 17.612 1.00 20.21 H new ATOM 0 HZ3 LYS A 63 -13.327 -8.052 16.393 1.00 20.21 H new ATOM 953 N THR A 64 -11.482 -1.257 14.062 1.00 51.31 N ATOM 954 CA THR A 64 -10.084 -0.828 14.262 1.00 51.45 C ATOM 955 C THR A 64 -9.251 -1.969 14.901 1.00 70.14 C ATOM 956 O THR A 64 -9.458 -2.318 16.069 1.00 0.01 O ATOM 957 CB THR A 64 -10.008 0.453 15.162 1.00 43.02 C ATOM 958 OG1 THR A 64 -10.896 1.465 14.653 1.00 12.11 O ATOM 959 CG2 THR A 64 -8.581 1.019 15.222 1.00 71.31 C ATOM 0 H THR A 64 -12.122 -0.934 14.788 1.00 51.31 H new ATOM 0 HA THR A 64 -9.668 -0.587 13.284 1.00 51.45 H new ATOM 0 HB THR A 64 -10.307 0.165 16.170 1.00 43.02 H new ATOM 0 HG1 THR A 64 -10.844 2.262 15.221 1.00 12.11 H new ATOM 0 HG21 THR A 64 -8.568 1.906 15.855 1.00 71.31 H new ATOM 0 HG22 THR A 64 -7.909 0.268 15.636 1.00 71.31 H new ATOM 0 HG23 THR A 64 -8.253 1.285 14.217 1.00 71.31 H new ATOM 967 N LEU A 65 -8.346 -2.566 14.108 1.00 43.24 N ATOM 968 CA LEU A 65 -7.403 -3.602 14.583 1.00 12.44 C ATOM 969 C LEU A 65 -6.213 -2.953 15.339 1.00 15.42 C ATOM 970 O LEU A 65 -5.575 -2.024 14.829 1.00 72.43 O ATOM 971 CB LEU A 65 -6.907 -4.434 13.374 1.00 14.20 C ATOM 972 CG LEU A 65 -8.033 -5.095 12.514 1.00 72.34 C ATOM 973 CD1 LEU A 65 -7.460 -5.697 11.215 1.00 51.11 C ATOM 974 CD2 LEU A 65 -8.818 -6.150 13.334 1.00 24.23 C ATOM 0 H LEU A 65 -8.244 -2.346 13.117 1.00 43.24 H new ATOM 0 HA LEU A 65 -7.914 -4.264 15.282 1.00 12.44 H new ATOM 0 HB2 LEU A 65 -6.311 -3.788 12.729 1.00 14.20 H new ATOM 0 HB3 LEU A 65 -6.244 -5.218 13.740 1.00 14.20 H new ATOM 0 HG LEU A 65 -8.738 -4.314 12.229 1.00 72.34 H new ATOM 0 HD11 LEU A 65 -8.266 -6.150 10.637 1.00 51.11 H new ATOM 0 HD12 LEU A 65 -6.989 -4.910 10.626 1.00 51.11 H new ATOM 0 HD13 LEU A 65 -6.719 -6.458 11.462 1.00 51.11 H new ATOM 0 HD21 LEU A 65 -9.594 -6.592 12.709 1.00 24.23 H new ATOM 0 HD22 LEU A 65 -8.135 -6.930 13.672 1.00 24.23 H new ATOM 0 HD23 LEU A 65 -9.277 -5.671 14.199 1.00 24.23 H new ATOM 986 N GLN A 66 -5.933 -3.457 16.551 1.00 1.44 N ATOM 987 CA GLN A 66 -4.904 -2.891 17.458 1.00 50.34 C ATOM 988 C GLN A 66 -3.568 -3.682 17.360 1.00 4.31 C ATOM 989 O GLN A 66 -3.601 -4.894 17.144 1.00 63.24 O ATOM 990 CB GLN A 66 -5.446 -2.895 18.920 1.00 43.23 C ATOM 991 CG GLN A 66 -6.721 -2.050 19.137 1.00 20.11 C ATOM 992 CD GLN A 66 -6.530 -0.561 18.820 1.00 51.01 C ATOM 993 OE1 GLN A 66 -6.750 -0.114 17.701 1.00 1.51 O ATOM 994 NE2 GLN A 66 -6.093 0.218 19.794 1.00 1.34 N ATOM 0 H GLN A 66 -6.411 -4.271 16.937 1.00 1.44 H new ATOM 0 HA GLN A 66 -4.694 -1.865 17.155 1.00 50.34 H new ATOM 0 HB2 GLN A 66 -5.654 -3.924 19.213 1.00 43.23 H new ATOM 0 HB3 GLN A 66 -4.664 -2.526 19.584 1.00 43.23 H new ATOM 0 HG2 GLN A 66 -7.521 -2.447 18.512 1.00 20.11 H new ATOM 0 HG3 GLN A 66 -7.044 -2.154 20.173 1.00 20.11 H new ATOM 0 HE21 GLN A 66 -5.916 -0.173 20.719 1.00 1.34 H new ATOM 0 HE22 GLN A 66 -5.933 1.210 19.621 1.00 1.34 H new ATOM 1003 N PRO A 67 -2.370 -3.000 17.491 1.00 22.41 N ATOM 1004 CA PRO A 67 -1.030 -3.669 17.467 1.00 52.14 C ATOM 1005 C PRO A 67 -0.929 -4.936 18.368 1.00 33.23 C ATOM 1006 O PRO A 67 -1.313 -4.909 19.543 1.00 11.15 O ATOM 1007 CB PRO A 67 -0.079 -2.549 17.954 1.00 23.13 C ATOM 1008 CG PRO A 67 -0.733 -1.289 17.478 1.00 15.24 C ATOM 1009 CD PRO A 67 -2.224 -1.521 17.616 1.00 15.53 C ATOM 0 HA PRO A 67 -0.795 -4.058 16.476 1.00 52.14 H new ATOM 0 HB2 PRO A 67 0.027 -2.559 19.039 1.00 23.13 H new ATOM 0 HB3 PRO A 67 0.921 -2.663 17.535 1.00 23.13 H new ATOM 0 HG2 PRO A 67 -0.414 -0.434 18.073 1.00 15.24 H new ATOM 0 HG3 PRO A 67 -0.464 -1.076 16.443 1.00 15.24 H new ATOM 0 HD2 PRO A 67 -2.597 -1.162 18.575 1.00 15.53 H new ATOM 0 HD3 PRO A 67 -2.783 -0.997 16.841 1.00 15.53 H new ATOM 1017 N GLY A 68 -0.425 -6.040 17.789 1.00 13.44 N ATOM 1018 CA GLY A 68 -0.372 -7.352 18.462 1.00 11.25 C ATOM 1019 C GLY A 68 -1.428 -8.343 17.943 1.00 34.30 C ATOM 1020 O GLY A 68 -1.376 -9.536 18.253 1.00 53.02 O ATOM 0 H GLY A 68 -0.043 -6.049 16.843 1.00 13.44 H new ATOM 0 HA2 GLY A 68 0.620 -7.783 18.325 1.00 11.25 H new ATOM 0 HA3 GLY A 68 -0.513 -7.209 19.533 1.00 11.25 H new ATOM 1024 N ASP A 69 -2.403 -7.834 17.170 1.00 30.52 N ATOM 1025 CA ASP A 69 -3.503 -8.644 16.599 1.00 32.52 C ATOM 1026 C ASP A 69 -3.045 -9.500 15.383 1.00 4.14 C ATOM 1027 O ASP A 69 -2.211 -9.070 14.586 1.00 45.35 O ATOM 1028 CB ASP A 69 -4.656 -7.691 16.206 1.00 1.42 C ATOM 1029 CG ASP A 69 -5.931 -8.412 15.753 1.00 60.40 C ATOM 1030 OD1 ASP A 69 -6.541 -9.126 16.578 1.00 43.10 O ATOM 1031 OD2 ASP A 69 -6.350 -8.250 14.598 1.00 2.20 O ATOM 0 H ASP A 69 -2.454 -6.846 16.920 1.00 30.52 H new ATOM 0 HA ASP A 69 -3.841 -9.355 17.353 1.00 32.52 H new ATOM 0 HB2 ASP A 69 -4.894 -7.054 17.058 1.00 1.42 H new ATOM 0 HB3 ASP A 69 -4.316 -7.037 15.403 1.00 1.42 H new ATOM 1036 N GLN A 70 -3.611 -10.720 15.273 1.00 34.51 N ATOM 1037 CA GLN A 70 -3.379 -11.640 14.136 1.00 13.24 C ATOM 1038 C GLN A 70 -4.628 -11.701 13.228 1.00 10.34 C ATOM 1039 O GLN A 70 -5.748 -11.902 13.712 1.00 23.14 O ATOM 1040 CB GLN A 70 -3.019 -13.066 14.651 1.00 54.20 C ATOM 1041 CG GLN A 70 -1.655 -13.164 15.363 1.00 34.52 C ATOM 1042 CD GLN A 70 -0.461 -12.767 14.482 1.00 50.10 C ATOM 1043 OE1 GLN A 70 -0.480 -12.905 13.265 1.00 13.14 O ATOM 1044 NE2 GLN A 70 0.596 -12.292 15.092 1.00 73.34 N ATOM 0 H GLN A 70 -4.247 -11.099 15.975 1.00 34.51 H new ATOM 0 HA GLN A 70 -2.541 -11.259 13.553 1.00 13.24 H new ATOM 0 HB2 GLN A 70 -3.798 -13.398 15.338 1.00 54.20 H new ATOM 0 HB3 GLN A 70 -3.024 -13.755 13.807 1.00 54.20 H new ATOM 0 HG2 GLN A 70 -1.671 -12.525 16.246 1.00 34.52 H new ATOM 0 HG3 GLN A 70 -1.512 -14.186 15.712 1.00 34.52 H new ATOM 0 HE21 GLN A 70 0.594 -12.184 16.106 1.00 73.34 H new ATOM 0 HE22 GLN A 70 1.421 -12.030 14.553 1.00 73.34 H new ATOM 1053 N VAL A 71 -4.411 -11.531 11.912 1.00 71.12 N ATOM 1054 CA VAL A 71 -5.484 -11.520 10.884 1.00 13.33 C ATOM 1055 C VAL A 71 -5.114 -12.407 9.667 1.00 64.52 C ATOM 1056 O VAL A 71 -4.016 -12.953 9.606 1.00 73.23 O ATOM 1057 CB VAL A 71 -5.755 -10.052 10.382 1.00 12.24 C ATOM 1058 CG1 VAL A 71 -6.340 -9.168 11.503 1.00 62.10 C ATOM 1059 CG2 VAL A 71 -4.473 -9.409 9.781 1.00 34.52 C ATOM 0 H VAL A 71 -3.479 -11.395 11.521 1.00 71.12 H new ATOM 0 HA VAL A 71 -6.382 -11.922 11.353 1.00 13.33 H new ATOM 0 HB VAL A 71 -6.499 -10.118 9.588 1.00 12.24 H new ATOM 0 HG11 VAL A 71 -6.514 -8.162 11.120 1.00 62.10 H new ATOM 0 HG12 VAL A 71 -7.283 -9.593 11.847 1.00 62.10 H new ATOM 0 HG13 VAL A 71 -5.637 -9.123 12.335 1.00 62.10 H new ATOM 0 HG21 VAL A 71 -4.697 -8.397 9.445 1.00 34.52 H new ATOM 0 HG22 VAL A 71 -3.693 -9.375 10.541 1.00 34.52 H new ATOM 0 HG23 VAL A 71 -4.130 -10.004 8.935 1.00 34.52 H new ATOM 1069 N ILE A 72 -6.050 -12.547 8.705 1.00 72.31 N ATOM 1070 CA ILE A 72 -5.795 -13.211 7.402 1.00 63.10 C ATOM 1071 C ILE A 72 -5.991 -12.195 6.245 1.00 64.13 C ATOM 1072 O ILE A 72 -6.965 -11.424 6.232 1.00 11.34 O ATOM 1073 CB ILE A 72 -6.751 -14.454 7.189 1.00 61.50 C ATOM 1074 CG1 ILE A 72 -6.569 -15.514 8.326 1.00 13.34 C ATOM 1075 CG2 ILE A 72 -6.574 -15.102 5.787 1.00 14.22 C ATOM 1076 CD1 ILE A 72 -5.189 -16.160 8.394 1.00 73.10 C ATOM 0 H ILE A 72 -7.005 -12.204 8.806 1.00 72.31 H new ATOM 0 HA ILE A 72 -4.766 -13.572 7.405 1.00 63.10 H new ATOM 0 HB ILE A 72 -7.772 -14.076 7.239 1.00 61.50 H new ATOM 0 HG12 ILE A 72 -6.777 -15.036 9.283 1.00 13.34 H new ATOM 0 HG13 ILE A 72 -7.314 -16.298 8.193 1.00 13.34 H new ATOM 0 HG21 ILE A 72 -7.252 -15.950 5.690 1.00 14.22 H new ATOM 0 HG22 ILE A 72 -6.800 -14.367 5.015 1.00 14.22 H new ATOM 0 HG23 ILE A 72 -5.546 -15.444 5.672 1.00 14.22 H new ATOM 0 HD11 ILE A 72 -5.164 -16.879 9.213 1.00 73.10 H new ATOM 0 HD12 ILE A 72 -4.981 -16.673 7.455 1.00 73.10 H new ATOM 0 HD13 ILE A 72 -4.435 -15.391 8.563 1.00 73.10 H new ATOM 1088 N LEU A 73 -5.058 -12.215 5.279 1.00 22.50 N ATOM 1089 CA LEU A 73 -5.091 -11.343 4.084 1.00 61.42 C ATOM 1090 C LEU A 73 -5.890 -12.011 2.938 1.00 43.32 C ATOM 1091 O LEU A 73 -5.550 -13.109 2.500 1.00 13.11 O ATOM 1092 CB LEU A 73 -3.636 -11.043 3.627 1.00 21.15 C ATOM 1093 CG LEU A 73 -2.737 -10.336 4.693 1.00 73.12 C ATOM 1094 CD1 LEU A 73 -1.276 -10.227 4.207 1.00 44.20 C ATOM 1095 CD2 LEU A 73 -3.309 -8.945 5.079 1.00 55.31 C ATOM 0 H LEU A 73 -4.252 -12.840 5.302 1.00 22.50 H new ATOM 0 HA LEU A 73 -5.591 -10.409 4.340 1.00 61.42 H new ATOM 0 HB2 LEU A 73 -3.162 -11.981 3.339 1.00 21.15 H new ATOM 0 HB3 LEU A 73 -3.674 -10.418 2.735 1.00 21.15 H new ATOM 0 HG LEU A 73 -2.741 -10.953 5.591 1.00 73.12 H new ATOM 0 HD11 LEU A 73 -0.675 -9.731 4.969 1.00 44.20 H new ATOM 0 HD12 LEU A 73 -0.878 -11.225 4.024 1.00 44.20 H new ATOM 0 HD13 LEU A 73 -1.242 -9.648 3.284 1.00 44.20 H new ATOM 0 HD21 LEU A 73 -2.662 -8.479 5.822 1.00 55.31 H new ATOM 0 HD22 LEU A 73 -3.358 -8.313 4.192 1.00 55.31 H new ATOM 0 HD23 LEU A 73 -4.310 -9.066 5.494 1.00 55.31 H new ATOM 1107 N GLU A 74 -6.967 -11.346 2.474 1.00 34.22 N ATOM 1108 CA GLU A 74 -7.766 -11.807 1.302 1.00 11.41 C ATOM 1109 C GLU A 74 -7.303 -11.156 -0.021 1.00 24.23 C ATOM 1110 O GLU A 74 -7.876 -11.428 -1.086 1.00 4.14 O ATOM 1111 CB GLU A 74 -9.270 -11.516 1.520 1.00 5.53 C ATOM 1112 CG GLU A 74 -9.899 -12.250 2.714 1.00 25.11 C ATOM 1113 CD GLU A 74 -11.435 -12.129 2.738 1.00 40.21 C ATOM 1114 OE1 GLU A 74 -11.952 -11.008 2.945 1.00 15.05 O ATOM 1115 OE2 GLU A 74 -12.137 -13.151 2.540 1.00 70.23 O ATOM 0 H GLU A 74 -7.312 -10.481 2.891 1.00 34.22 H new ATOM 0 HA GLU A 74 -7.606 -12.882 1.219 1.00 11.41 H new ATOM 0 HB2 GLU A 74 -9.402 -10.443 1.660 1.00 5.53 H new ATOM 0 HB3 GLU A 74 -9.814 -11.789 0.616 1.00 5.53 H new ATOM 0 HG2 GLU A 74 -9.621 -13.303 2.676 1.00 25.11 H new ATOM 0 HG3 GLU A 74 -9.491 -11.846 3.641 1.00 25.11 H new ATOM 1122 N ALA A 75 -6.267 -10.317 0.050 1.00 43.23 N ATOM 1123 CA ALA A 75 -5.778 -9.534 -1.095 1.00 53.13 C ATOM 1124 C ALA A 75 -4.743 -10.305 -1.921 1.00 23.12 C ATOM 1125 O ALA A 75 -4.078 -11.217 -1.419 1.00 13.23 O ATOM 1126 CB ALA A 75 -5.163 -8.235 -0.589 1.00 43.54 C ATOM 0 H ALA A 75 -5.738 -10.158 0.908 1.00 43.23 H new ATOM 0 HA ALA A 75 -6.628 -9.326 -1.745 1.00 53.13 H new ATOM 0 HB1 ALA A 75 -4.799 -7.651 -1.434 1.00 43.54 H new ATOM 0 HB2 ALA A 75 -5.917 -7.661 -0.050 1.00 43.54 H new ATOM 0 HB3 ALA A 75 -4.333 -8.462 0.080 1.00 43.54 H new ATOM 1132 N SER A 76 -4.590 -9.899 -3.183 1.00 2.24 N ATOM 1133 CA SER A 76 -3.564 -10.441 -4.079 1.00 22.45 C ATOM 1134 C SER A 76 -2.610 -9.303 -4.493 1.00 24.22 C ATOM 1135 O SER A 76 -3.043 -8.235 -4.934 1.00 11.03 O ATOM 1136 CB SER A 76 -4.232 -11.095 -5.308 1.00 13.44 C ATOM 1137 OG SER A 76 -4.851 -10.138 -6.161 1.00 21.04 O ATOM 0 H SER A 76 -5.175 -9.183 -3.614 1.00 2.24 H new ATOM 0 HA SER A 76 -2.986 -11.211 -3.569 1.00 22.45 H new ATOM 0 HB2 SER A 76 -3.483 -11.651 -5.873 1.00 13.44 H new ATOM 0 HB3 SER A 76 -4.978 -11.815 -4.973 1.00 13.44 H new ATOM 0 HG SER A 76 -4.461 -9.254 -5.998 1.00 21.04 H new ATOM 1143 N HIS A 77 -1.306 -9.546 -4.332 1.00 71.01 N ATOM 1144 CA HIS A 77 -0.237 -8.531 -4.537 1.00 34.43 C ATOM 1145 C HIS A 77 0.956 -9.242 -5.206 1.00 53.31 C ATOM 1146 O HIS A 77 1.582 -8.730 -6.141 1.00 71.34 O ATOM 1147 CB HIS A 77 0.203 -7.856 -3.196 1.00 65.53 C ATOM 1148 CG HIS A 77 -0.822 -6.918 -2.569 1.00 4.24 C ATOM 1149 ND1 HIS A 77 -0.664 -5.551 -2.605 1.00 64.24 N ATOM 1150 CD2 HIS A 77 -1.959 -7.197 -1.876 1.00 31.25 C ATOM 1151 CE1 HIS A 77 -1.689 -5.041 -1.944 1.00 25.02 C ATOM 1152 NE2 HIS A 77 -2.499 -5.999 -1.485 1.00 44.24 N ATOM 0 H HIS A 77 -0.946 -10.459 -4.053 1.00 71.01 H new ATOM 0 HA HIS A 77 -0.617 -7.729 -5.169 1.00 34.43 H new ATOM 0 HB2 HIS A 77 0.442 -8.639 -2.476 1.00 65.53 H new ATOM 0 HB3 HIS A 77 1.121 -7.296 -3.375 1.00 65.53 H new ATOM 0 HD2 HIS A 77 -2.361 -8.178 -1.672 1.00 31.25 H new ATOM 0 HE1 HIS A 77 -1.851 -3.984 -1.794 1.00 25.02 H new ATOM 0 HE2 HIS A 77 -3.355 -5.865 -0.947 1.00 44.24 H new ATOM 1160 N MET A 78 1.238 -10.454 -4.683 1.00 54.34 N ATOM 1161 CA MET A 78 2.336 -11.335 -5.135 1.00 30.04 C ATOM 1162 C MET A 78 2.042 -12.815 -4.755 1.00 12.41 C ATOM 1163 O MET A 78 0.960 -13.129 -4.231 1.00 52.52 O ATOM 1164 CB MET A 78 3.677 -10.855 -4.510 1.00 10.43 C ATOM 1165 CG MET A 78 3.688 -10.808 -2.978 1.00 34.44 C ATOM 1166 SD MET A 78 5.202 -10.075 -2.328 1.00 25.25 S ATOM 1167 CE MET A 78 4.913 -10.188 -0.567 1.00 61.05 C ATOM 0 H MET A 78 0.697 -10.856 -3.918 1.00 54.34 H new ATOM 0 HA MET A 78 2.415 -11.282 -6.221 1.00 30.04 H new ATOM 0 HB2 MET A 78 4.476 -11.516 -4.846 1.00 10.43 H new ATOM 0 HB3 MET A 78 3.905 -9.860 -4.892 1.00 10.43 H new ATOM 0 HG2 MET A 78 2.830 -10.235 -2.628 1.00 34.44 H new ATOM 0 HG3 MET A 78 3.578 -11.819 -2.585 1.00 34.44 H new ATOM 0 HE1 MET A 78 4.926 -9.189 -0.131 1.00 61.05 H new ATOM 0 HE2 MET A 78 3.942 -10.650 -0.386 1.00 61.05 H new ATOM 0 HE3 MET A 78 5.694 -10.794 -0.108 1.00 61.05 H new ATOM 1177 N LYS A 79 3.006 -13.713 -5.041 1.00 15.01 N ATOM 1178 CA LYS A 79 2.906 -15.158 -4.714 1.00 2.15 C ATOM 1179 C LYS A 79 2.763 -15.414 -3.186 1.00 20.33 C ATOM 1180 O LYS A 79 3.596 -14.962 -2.390 1.00 61.32 O ATOM 1181 CB LYS A 79 4.147 -15.916 -5.268 1.00 42.41 C ATOM 1182 CG LYS A 79 4.252 -15.936 -6.808 1.00 5.11 C ATOM 1183 CD LYS A 79 3.102 -16.729 -7.469 1.00 52.21 C ATOM 1184 CE LYS A 79 3.196 -16.746 -9.003 1.00 4.34 C ATOM 1185 NZ LYS A 79 4.449 -17.383 -9.489 1.00 14.23 N ATOM 0 H LYS A 79 3.878 -13.461 -5.506 1.00 15.01 H new ATOM 0 HA LYS A 79 2.000 -15.535 -5.190 1.00 2.15 H new ATOM 0 HB2 LYS A 79 5.048 -15.457 -4.861 1.00 42.41 H new ATOM 0 HB3 LYS A 79 4.121 -16.944 -4.905 1.00 42.41 H new ATOM 0 HG2 LYS A 79 4.246 -14.912 -7.183 1.00 5.11 H new ATOM 0 HG3 LYS A 79 5.206 -16.376 -7.098 1.00 5.11 H new ATOM 0 HD2 LYS A 79 3.113 -17.754 -7.097 1.00 52.21 H new ATOM 0 HD3 LYS A 79 2.148 -16.292 -7.173 1.00 52.21 H new ATOM 0 HE2 LYS A 79 2.338 -17.281 -9.411 1.00 4.34 H new ATOM 0 HE3 LYS A 79 3.142 -15.724 -9.379 1.00 4.34 H new ATOM 0 HZ1 LYS A 79 4.412 -17.477 -10.524 1.00 14.23 H new ATOM 0 HZ2 LYS A 79 5.264 -16.793 -9.224 1.00 14.23 H new ATOM 0 HZ3 LYS A 79 4.549 -18.325 -9.059 1.00 14.23 H new ATOM 1199 N GLY A 80 1.688 -16.131 -2.805 1.00 24.12 N ATOM 1200 CA GLY A 80 1.441 -16.524 -1.408 1.00 5.44 C ATOM 1201 C GLY A 80 0.880 -15.404 -0.514 1.00 24.01 C ATOM 1202 O GLY A 80 0.885 -15.538 0.714 1.00 33.44 O ATOM 0 H GLY A 80 0.971 -16.452 -3.455 1.00 24.12 H new ATOM 0 HA2 GLY A 80 0.743 -17.361 -1.398 1.00 5.44 H new ATOM 0 HA3 GLY A 80 2.375 -16.882 -0.975 1.00 5.44 H new ATOM 1206 N MET A 81 0.396 -14.302 -1.129 1.00 50.51 N ATOM 1207 CA MET A 81 -0.176 -13.146 -0.390 1.00 71.44 C ATOM 1208 C MET A 81 -1.536 -13.517 0.268 1.00 14.25 C ATOM 1209 O MET A 81 -1.699 -13.422 1.493 1.00 72.45 O ATOM 1210 CB MET A 81 -0.348 -11.937 -1.356 1.00 50.21 C ATOM 1211 CG MET A 81 -0.782 -10.630 -0.678 1.00 31.35 C ATOM 1212 SD MET A 81 0.458 -10.023 0.485 1.00 43.21 S ATOM 1213 CE MET A 81 -0.240 -8.458 1.025 1.00 54.43 C ATOM 0 H MET A 81 0.389 -14.185 -2.142 1.00 50.51 H new ATOM 0 HA MET A 81 0.513 -12.871 0.408 1.00 71.44 H new ATOM 0 HB2 MET A 81 0.596 -11.766 -1.873 1.00 50.21 H new ATOM 0 HB3 MET A 81 -1.085 -12.198 -2.115 1.00 50.21 H new ATOM 0 HG2 MET A 81 -0.967 -9.872 -1.439 1.00 31.35 H new ATOM 0 HG3 MET A 81 -1.723 -10.790 -0.152 1.00 31.35 H new ATOM 0 HE1 MET A 81 0.242 -8.145 1.951 1.00 54.43 H new ATOM 0 HE2 MET A 81 -0.077 -7.702 0.257 1.00 54.43 H new ATOM 0 HE3 MET A 81 -1.310 -8.576 1.196 1.00 54.43 H new ATOM 1223 N LYS A 82 -2.508 -13.923 -0.573 1.00 23.40 N ATOM 1224 CA LYS A 82 -3.839 -14.375 -0.108 1.00 22.22 C ATOM 1225 C LYS A 82 -3.743 -15.715 0.675 1.00 31.11 C ATOM 1226 O LYS A 82 -3.141 -16.684 0.195 1.00 60.33 O ATOM 1227 CB LYS A 82 -4.816 -14.509 -1.313 1.00 75.03 C ATOM 1228 CG LYS A 82 -6.294 -14.732 -0.906 1.00 13.51 C ATOM 1229 CD LYS A 82 -7.281 -14.823 -2.109 1.00 4.43 C ATOM 1230 CE LYS A 82 -7.334 -16.214 -2.782 1.00 54.01 C ATOM 1231 NZ LYS A 82 -6.040 -16.636 -3.387 1.00 62.33 N ATOM 0 H LYS A 82 -2.396 -13.948 -1.587 1.00 23.40 H new ATOM 0 HA LYS A 82 -4.229 -13.622 0.577 1.00 22.22 H new ATOM 0 HB2 LYS A 82 -4.750 -13.608 -1.923 1.00 75.03 H new ATOM 0 HB3 LYS A 82 -4.493 -15.341 -1.938 1.00 75.03 H new ATOM 0 HG2 LYS A 82 -6.364 -15.650 -0.323 1.00 13.51 H new ATOM 0 HG3 LYS A 82 -6.607 -13.916 -0.255 1.00 13.51 H new ATOM 0 HD2 LYS A 82 -8.281 -14.560 -1.764 1.00 4.43 H new ATOM 0 HD3 LYS A 82 -6.996 -14.081 -2.855 1.00 4.43 H new ATOM 0 HE2 LYS A 82 -7.638 -16.955 -2.042 1.00 54.01 H new ATOM 0 HE3 LYS A 82 -8.101 -16.204 -3.556 1.00 54.01 H new ATOM 0 HZ1 LYS A 82 -6.221 -17.306 -4.161 1.00 62.33 H new ATOM 0 HZ2 LYS A 82 -5.543 -15.802 -3.760 1.00 62.33 H new ATOM 0 HZ3 LYS A 82 -5.451 -17.095 -2.663 1.00 62.33 H new ATOM 1245 N GLY A 83 -4.344 -15.751 1.878 1.00 32.54 N ATOM 1246 CA GLY A 83 -4.328 -16.941 2.747 1.00 12.14 C ATOM 1247 C GLY A 83 -3.267 -16.877 3.856 1.00 42.22 C ATOM 1248 O GLY A 83 -3.255 -17.724 4.756 1.00 52.53 O ATOM 0 H GLY A 83 -4.852 -14.960 2.273 1.00 32.54 H new ATOM 0 HA2 GLY A 83 -5.311 -17.062 3.202 1.00 12.14 H new ATOM 0 HA3 GLY A 83 -4.149 -17.825 2.135 1.00 12.14 H new ATOM 1252 N ALA A 84 -2.369 -15.871 3.788 1.00 74.33 N ATOM 1253 CA ALA A 84 -1.295 -15.672 4.788 1.00 43.10 C ATOM 1254 C ALA A 84 -1.821 -14.981 6.068 1.00 15.50 C ATOM 1255 O ALA A 84 -2.750 -14.161 6.010 1.00 32.25 O ATOM 1256 CB ALA A 84 -0.144 -14.853 4.168 1.00 60.23 C ATOM 0 H ALA A 84 -2.367 -15.176 3.042 1.00 74.33 H new ATOM 0 HA ALA A 84 -0.923 -16.654 5.079 1.00 43.10 H new ATOM 0 HB1 ALA A 84 0.642 -14.711 4.910 1.00 60.23 H new ATOM 0 HB2 ALA A 84 0.261 -15.387 3.308 1.00 60.23 H new ATOM 0 HB3 ALA A 84 -0.520 -13.882 3.847 1.00 60.23 H new ATOM 1262 N THR A 85 -1.204 -15.315 7.217 1.00 61.15 N ATOM 1263 CA THR A 85 -1.517 -14.684 8.517 1.00 11.31 C ATOM 1264 C THR A 85 -0.620 -13.444 8.721 1.00 54.32 C ATOM 1265 O THR A 85 0.611 -13.558 8.713 1.00 62.14 O ATOM 1266 CB THR A 85 -1.323 -15.674 9.726 1.00 22.12 C ATOM 1267 OG1 THR A 85 -2.108 -16.859 9.524 1.00 15.53 O ATOM 1268 CG2 THR A 85 -1.737 -15.041 11.070 1.00 30.30 C ATOM 0 H THR A 85 -0.476 -16.028 7.272 1.00 61.15 H new ATOM 0 HA THR A 85 -2.568 -14.395 8.493 1.00 11.31 H new ATOM 0 HB THR A 85 -0.261 -15.916 9.768 1.00 22.12 H new ATOM 0 HG1 THR A 85 -1.980 -17.469 10.280 1.00 15.53 H new ATOM 0 HG21 THR A 85 -1.585 -15.762 11.874 1.00 30.30 H new ATOM 0 HG22 THR A 85 -1.130 -14.155 11.257 1.00 30.30 H new ATOM 0 HG23 THR A 85 -2.789 -14.758 11.030 1.00 30.30 H new ATOM 1276 N ALA A 86 -1.244 -12.269 8.920 1.00 33.12 N ATOM 1277 CA ALA A 86 -0.532 -10.987 9.082 1.00 0.32 C ATOM 1278 C ALA A 86 -0.550 -10.516 10.551 1.00 32.43 C ATOM 1279 O ALA A 86 -1.549 -10.661 11.260 1.00 41.34 O ATOM 1280 CB ALA A 86 -1.140 -9.918 8.159 1.00 22.25 C ATOM 0 H ALA A 86 -2.259 -12.181 8.973 1.00 33.12 H new ATOM 0 HA ALA A 86 0.509 -11.141 8.799 1.00 0.32 H new ATOM 0 HB1 ALA A 86 -0.605 -8.978 8.289 1.00 22.25 H new ATOM 0 HB2 ALA A 86 -1.056 -10.243 7.122 1.00 22.25 H new ATOM 0 HB3 ALA A 86 -2.191 -9.775 8.411 1.00 22.25 H new ATOM 1286 N GLU A 87 0.579 -9.944 10.967 1.00 51.10 N ATOM 1287 CA GLU A 87 0.800 -9.373 12.303 1.00 73.02 C ATOM 1288 C GLU A 87 0.607 -7.846 12.228 1.00 61.24 C ATOM 1289 O GLU A 87 1.362 -7.169 11.522 1.00 4.03 O ATOM 1290 CB GLU A 87 2.254 -9.709 12.758 1.00 60.43 C ATOM 1291 CG GLU A 87 2.769 -8.973 14.018 1.00 1.25 C ATOM 1292 CD GLU A 87 2.107 -9.423 15.330 1.00 60.35 C ATOM 1293 OE1 GLU A 87 2.613 -10.386 15.954 1.00 1.45 O ATOM 1294 OE2 GLU A 87 1.096 -8.824 15.750 1.00 73.45 O ATOM 0 H GLU A 87 1.397 -9.860 10.364 1.00 51.10 H new ATOM 0 HA GLU A 87 0.093 -9.790 13.020 1.00 73.02 H new ATOM 0 HB2 GLU A 87 2.315 -10.782 12.940 1.00 60.43 H new ATOM 0 HB3 GLU A 87 2.930 -9.487 11.932 1.00 60.43 H new ATOM 0 HG2 GLU A 87 3.846 -9.124 14.098 1.00 1.25 H new ATOM 0 HG3 GLU A 87 2.606 -7.903 13.891 1.00 1.25 H new ATOM 1301 N ILE A 88 -0.408 -7.312 12.923 1.00 23.31 N ATOM 1302 CA ILE A 88 -0.617 -5.853 13.003 1.00 11.24 C ATOM 1303 C ILE A 88 0.524 -5.224 13.845 1.00 42.41 C ATOM 1304 O ILE A 88 0.491 -5.263 15.077 1.00 50.30 O ATOM 1305 CB ILE A 88 -2.032 -5.484 13.614 1.00 12.11 C ATOM 1306 CG1 ILE A 88 -3.200 -6.198 12.849 1.00 3.14 C ATOM 1307 CG2 ILE A 88 -2.257 -3.943 13.650 1.00 11.12 C ATOM 1308 CD1 ILE A 88 -3.363 -5.810 11.384 1.00 22.52 C ATOM 0 H ILE A 88 -1.096 -7.863 13.437 1.00 23.31 H new ATOM 0 HA ILE A 88 -0.599 -5.448 11.991 1.00 11.24 H new ATOM 0 HB ILE A 88 -2.036 -5.848 14.641 1.00 12.11 H new ATOM 0 HG12 ILE A 88 -3.042 -7.275 12.905 1.00 3.14 H new ATOM 0 HG13 ILE A 88 -4.134 -5.985 13.369 1.00 3.14 H new ATOM 0 HG21 ILE A 88 -3.237 -3.728 14.075 1.00 11.12 H new ATOM 0 HG22 ILE A 88 -1.486 -3.477 14.263 1.00 11.12 H new ATOM 0 HG23 ILE A 88 -2.205 -3.544 12.637 1.00 11.12 H new ATOM 0 HD11 ILE A 88 -4.198 -6.362 10.952 1.00 22.52 H new ATOM 0 HD12 ILE A 88 -3.558 -4.740 11.311 1.00 22.52 H new ATOM 0 HD13 ILE A 88 -2.449 -6.050 10.840 1.00 22.52 H new ATOM 1320 N ASP A 89 1.567 -4.713 13.163 1.00 41.03 N ATOM 1321 CA ASP A 89 2.695 -4.025 13.824 1.00 55.25 C ATOM 1322 C ASP A 89 2.241 -2.645 14.353 1.00 50.33 C ATOM 1323 O ASP A 89 2.651 -2.214 15.438 1.00 31.03 O ATOM 1324 CB ASP A 89 3.891 -3.845 12.847 1.00 52.40 C ATOM 1325 CG ASP A 89 4.429 -5.166 12.268 1.00 33.05 C ATOM 1326 OD1 ASP A 89 4.712 -6.099 13.055 1.00 64.20 O ATOM 1327 OD2 ASP A 89 4.633 -5.254 11.036 1.00 73.43 O ATOM 0 H ASP A 89 1.652 -4.764 12.148 1.00 41.03 H new ATOM 0 HA ASP A 89 3.023 -4.643 14.660 1.00 55.25 H new ATOM 0 HB2 ASP A 89 3.582 -3.199 12.025 1.00 52.40 H new ATOM 0 HB3 ASP A 89 4.699 -3.333 13.369 1.00 52.40 H new ATOM 1332 N SER A 90 1.361 -1.986 13.574 1.00 24.14 N ATOM 1333 CA SER A 90 0.852 -0.631 13.880 1.00 12.12 C ATOM 1334 C SER A 90 -0.374 -0.277 13.002 1.00 34.42 C ATOM 1335 O SER A 90 -0.620 -0.912 11.967 1.00 74.00 O ATOM 1336 CB SER A 90 1.963 0.434 13.695 1.00 1.11 C ATOM 1337 OG SER A 90 1.526 1.723 14.109 1.00 12.44 O ATOM 0 H SER A 90 0.981 -2.378 12.712 1.00 24.14 H new ATOM 0 HA SER A 90 0.537 -0.631 14.924 1.00 12.12 H new ATOM 0 HB2 SER A 90 2.844 0.146 14.269 1.00 1.11 H new ATOM 0 HB3 SER A 90 2.263 0.470 12.648 1.00 1.11 H new ATOM 0 HG SER A 90 2.250 2.371 13.981 1.00 12.44 H new ATOM 1343 N ALA A 91 -1.127 0.750 13.430 1.00 72.51 N ATOM 1344 CA ALA A 91 -2.326 1.256 12.723 1.00 74.21 C ATOM 1345 C ALA A 91 -2.233 2.789 12.535 1.00 45.24 C ATOM 1346 O ALA A 91 -1.875 3.512 13.476 1.00 55.22 O ATOM 1347 CB ALA A 91 -3.601 0.885 13.508 1.00 73.12 C ATOM 0 H ALA A 91 -0.921 1.262 14.288 1.00 72.51 H new ATOM 0 HA ALA A 91 -2.375 0.791 11.738 1.00 74.21 H new ATOM 0 HB1 ALA A 91 -4.476 1.262 12.979 1.00 73.12 H new ATOM 0 HB2 ALA A 91 -3.670 -0.199 13.598 1.00 73.12 H new ATOM 0 HB3 ALA A 91 -3.558 1.330 14.502 1.00 73.12 H new ATOM 1353 N GLU A 92 -2.571 3.284 11.330 1.00 15.21 N ATOM 1354 CA GLU A 92 -2.504 4.729 10.992 1.00 61.10 C ATOM 1355 C GLU A 92 -3.734 5.173 10.167 1.00 72.12 C ATOM 1356 O GLU A 92 -4.144 4.486 9.231 1.00 71.33 O ATOM 1357 CB GLU A 92 -1.191 5.035 10.211 1.00 54.22 C ATOM 1358 CG GLU A 92 -0.949 6.532 9.906 1.00 61.02 C ATOM 1359 CD GLU A 92 0.437 6.810 9.289 1.00 62.42 C ATOM 1360 OE1 GLU A 92 1.435 6.851 10.044 1.00 24.22 O ATOM 1361 OE2 GLU A 92 0.538 6.987 8.058 1.00 4.13 O ATOM 0 H GLU A 92 -2.898 2.700 10.561 1.00 15.21 H new ATOM 0 HA GLU A 92 -2.506 5.294 11.924 1.00 61.10 H new ATOM 0 HB2 GLU A 92 -0.346 4.655 10.786 1.00 54.22 H new ATOM 0 HB3 GLU A 92 -1.209 4.486 9.270 1.00 54.22 H new ATOM 0 HG2 GLU A 92 -1.721 6.886 9.223 1.00 61.02 H new ATOM 0 HG3 GLU A 92 -1.051 7.105 10.828 1.00 61.02 H new ATOM 1368 N LYS A 93 -4.319 6.329 10.532 1.00 55.34 N ATOM 1369 CA LYS A 93 -5.382 6.988 9.746 1.00 45.42 C ATOM 1370 C LYS A 93 -4.719 7.955 8.741 1.00 62.35 C ATOM 1371 O LYS A 93 -4.381 9.093 9.084 1.00 72.25 O ATOM 1372 CB LYS A 93 -6.360 7.746 10.690 1.00 74.31 C ATOM 1373 CG LYS A 93 -7.254 6.841 11.568 1.00 34.11 C ATOM 1374 CD LYS A 93 -8.367 6.122 10.762 1.00 41.33 C ATOM 1375 CE LYS A 93 -9.312 5.303 11.663 1.00 62.43 C ATOM 1376 NZ LYS A 93 -10.483 4.781 10.915 1.00 12.43 N ATOM 0 H LYS A 93 -4.068 6.834 11.382 1.00 55.34 H new ATOM 0 HA LYS A 93 -5.963 6.244 9.202 1.00 45.42 H new ATOM 0 HB2 LYS A 93 -5.779 8.399 11.341 1.00 74.31 H new ATOM 0 HB3 LYS A 93 -7.001 8.387 10.085 1.00 74.31 H new ATOM 0 HG2 LYS A 93 -6.632 6.095 12.062 1.00 34.11 H new ATOM 0 HG3 LYS A 93 -7.713 7.444 12.352 1.00 34.11 H new ATOM 0 HD2 LYS A 93 -8.947 6.862 10.210 1.00 41.33 H new ATOM 0 HD3 LYS A 93 -7.909 5.462 10.026 1.00 41.33 H new ATOM 0 HE2 LYS A 93 -8.762 4.470 12.102 1.00 62.43 H new ATOM 0 HE3 LYS A 93 -9.658 5.927 12.487 1.00 62.43 H new ATOM 0 HZ1 LYS A 93 -11.196 4.431 11.586 1.00 12.43 H new ATOM 0 HZ2 LYS A 93 -10.895 5.543 10.339 1.00 12.43 H new ATOM 0 HZ3 LYS A 93 -10.180 4.003 10.295 1.00 12.43 H new ATOM 1390 N THR A 94 -4.503 7.474 7.512 1.00 55.54 N ATOM 1391 CA THR A 94 -3.789 8.226 6.456 1.00 50.41 C ATOM 1392 C THR A 94 -4.519 8.102 5.109 1.00 61.55 C ATOM 1393 O THR A 94 -5.253 7.130 4.876 1.00 53.13 O ATOM 1394 CB THR A 94 -2.308 7.738 6.319 1.00 60.41 C ATOM 1395 OG1 THR A 94 -1.607 8.510 5.333 1.00 53.12 O ATOM 1396 CG2 THR A 94 -2.205 6.240 5.971 1.00 42.34 C ATOM 0 H THR A 94 -4.816 6.550 7.214 1.00 55.54 H new ATOM 0 HA THR A 94 -3.776 9.276 6.748 1.00 50.41 H new ATOM 0 HB THR A 94 -1.846 7.883 7.295 1.00 60.41 H new ATOM 0 HG1 THR A 94 -0.650 8.303 5.375 1.00 53.12 H new ATOM 0 HG21 THR A 94 -1.156 5.957 5.888 1.00 42.34 H new ATOM 0 HG22 THR A 94 -2.679 5.651 6.756 1.00 42.34 H new ATOM 0 HG23 THR A 94 -2.707 6.052 5.022 1.00 42.34 H new ATOM 1404 N THR A 95 -4.324 9.088 4.220 1.00 65.40 N ATOM 1405 CA THR A 95 -4.963 9.099 2.891 1.00 52.11 C ATOM 1406 C THR A 95 -4.069 8.329 1.892 1.00 72.51 C ATOM 1407 O THR A 95 -2.944 8.753 1.613 1.00 30.55 O ATOM 1408 CB THR A 95 -5.208 10.569 2.387 1.00 60.11 C ATOM 1409 OG1 THR A 95 -5.818 11.345 3.437 1.00 14.13 O ATOM 1410 CG2 THR A 95 -6.121 10.614 1.141 1.00 15.34 C ATOM 0 H THR A 95 -3.725 9.894 4.398 1.00 65.40 H new ATOM 0 HA THR A 95 -5.935 8.612 2.965 1.00 52.11 H new ATOM 0 HB THR A 95 -4.238 10.984 2.113 1.00 60.11 H new ATOM 0 HG1 THR A 95 -5.968 12.261 3.122 1.00 14.13 H new ATOM 0 HG21 THR A 95 -6.261 11.649 0.830 1.00 15.34 H new ATOM 0 HG22 THR A 95 -5.658 10.051 0.330 1.00 15.34 H new ATOM 0 HG23 THR A 95 -7.088 10.174 1.383 1.00 15.34 H new ATOM 1418 N VAL A 96 -4.586 7.216 1.349 1.00 44.44 N ATOM 1419 CA VAL A 96 -3.835 6.294 0.471 1.00 35.02 C ATOM 1420 C VAL A 96 -4.399 6.375 -0.967 1.00 1.14 C ATOM 1421 O VAL A 96 -5.612 6.391 -1.176 1.00 42.34 O ATOM 1422 CB VAL A 96 -3.871 4.805 1.004 1.00 24.14 C ATOM 1423 CG1 VAL A 96 -2.974 4.641 2.257 1.00 34.33 C ATOM 1424 CG2 VAL A 96 -5.322 4.340 1.301 1.00 13.30 C ATOM 0 H VAL A 96 -5.550 6.924 1.507 1.00 44.44 H new ATOM 0 HA VAL A 96 -2.790 6.603 0.470 1.00 35.02 H new ATOM 0 HB VAL A 96 -3.474 4.167 0.214 1.00 24.14 H new ATOM 0 HG11 VAL A 96 -3.017 3.608 2.603 1.00 34.33 H new ATOM 0 HG12 VAL A 96 -1.945 4.896 2.004 1.00 34.33 H new ATOM 0 HG13 VAL A 96 -3.328 5.303 3.047 1.00 34.33 H new ATOM 0 HG21 VAL A 96 -5.308 3.313 1.665 1.00 13.30 H new ATOM 0 HG22 VAL A 96 -5.764 4.987 2.059 1.00 13.30 H new ATOM 0 HG23 VAL A 96 -5.915 4.393 0.388 1.00 13.30 H new ATOM 1434 N TYR A 97 -3.509 6.449 -1.955 1.00 34.22 N ATOM 1435 CA TYR A 97 -3.860 6.757 -3.354 1.00 42.24 C ATOM 1436 C TYR A 97 -3.608 5.577 -4.307 1.00 21.31 C ATOM 1437 O TYR A 97 -2.697 4.761 -4.114 1.00 61.32 O ATOM 1438 CB TYR A 97 -3.050 7.991 -3.839 1.00 70.44 C ATOM 1439 CG TYR A 97 -3.332 9.278 -3.042 1.00 20.12 C ATOM 1440 CD1 TYR A 97 -2.610 9.584 -1.887 1.00 51.33 C ATOM 1441 CD2 TYR A 97 -4.336 10.169 -3.433 1.00 1.13 C ATOM 1442 CE1 TYR A 97 -2.875 10.725 -1.162 1.00 61.33 C ATOM 1443 CE2 TYR A 97 -4.599 11.314 -2.707 1.00 23.30 C ATOM 1444 CZ TYR A 97 -3.867 11.587 -1.573 1.00 11.23 C ATOM 1445 OH TYR A 97 -4.129 12.732 -0.847 1.00 50.11 O ATOM 0 H TYR A 97 -2.511 6.296 -1.812 1.00 34.22 H new ATOM 0 HA TYR A 97 -4.929 6.968 -3.373 1.00 42.24 H new ATOM 0 HB2 TYR A 97 -1.986 7.762 -3.775 1.00 70.44 H new ATOM 0 HB3 TYR A 97 -3.275 8.170 -4.890 1.00 70.44 H new ATOM 0 HD1 TYR A 97 -1.830 8.914 -1.556 1.00 51.33 H new ATOM 0 HD2 TYR A 97 -4.916 9.958 -4.319 1.00 1.13 H new ATOM 0 HE1 TYR A 97 -2.305 10.943 -0.271 1.00 61.33 H new ATOM 0 HE2 TYR A 97 -5.376 11.993 -3.027 1.00 23.30 H new ATOM 0 HH TYR A 97 -3.292 13.215 -0.685 1.00 50.11 H new ATOM 1455 N MET A 98 -4.451 5.525 -5.340 1.00 13.54 N ATOM 1456 CA MET A 98 -4.277 4.670 -6.514 1.00 63.03 C ATOM 1457 C MET A 98 -3.769 5.571 -7.670 1.00 14.10 C ATOM 1458 O MET A 98 -4.495 6.458 -8.134 1.00 54.24 O ATOM 1459 CB MET A 98 -5.642 4.013 -6.832 1.00 41.13 C ATOM 1460 CG MET A 98 -5.627 2.998 -7.973 1.00 74.50 C ATOM 1461 SD MET A 98 -7.237 2.214 -8.235 1.00 72.21 S ATOM 1462 CE MET A 98 -8.256 3.615 -8.701 1.00 72.41 C ATOM 0 H MET A 98 -5.297 6.093 -5.383 1.00 13.54 H new ATOM 0 HA MET A 98 -3.552 3.872 -6.355 1.00 63.03 H new ATOM 0 HB2 MET A 98 -6.007 3.518 -5.932 1.00 41.13 H new ATOM 0 HB3 MET A 98 -6.357 4.799 -7.076 1.00 41.13 H new ATOM 0 HG2 MET A 98 -5.316 3.496 -8.892 1.00 74.50 H new ATOM 0 HG3 MET A 98 -4.884 2.229 -7.760 1.00 74.50 H new ATOM 0 HE1 MET A 98 -9.108 3.267 -9.285 1.00 72.41 H new ATOM 0 HE2 MET A 98 -8.613 4.120 -7.803 1.00 72.41 H new ATOM 0 HE3 MET A 98 -7.667 4.311 -9.298 1.00 72.41 H new ATOM 1472 N VAL A 99 -2.499 5.376 -8.089 1.00 74.24 N ATOM 1473 CA VAL A 99 -1.811 6.292 -9.047 1.00 64.23 C ATOM 1474 C VAL A 99 -1.280 5.560 -10.305 1.00 44.41 C ATOM 1475 O VAL A 99 -0.884 4.399 -10.243 1.00 70.34 O ATOM 1476 CB VAL A 99 -0.620 7.075 -8.355 1.00 42.11 C ATOM 1477 CG1 VAL A 99 -1.137 8.030 -7.248 1.00 54.42 C ATOM 1478 CG2 VAL A 99 0.463 6.104 -7.794 1.00 24.22 C ATOM 0 H VAL A 99 -1.922 4.593 -7.782 1.00 74.24 H new ATOM 0 HA VAL A 99 -2.573 7.003 -9.367 1.00 64.23 H new ATOM 0 HB VAL A 99 -0.147 7.682 -9.127 1.00 42.11 H new ATOM 0 HG11 VAL A 99 -0.294 8.551 -6.794 1.00 54.42 H new ATOM 0 HG12 VAL A 99 -1.821 8.758 -7.685 1.00 54.42 H new ATOM 0 HG13 VAL A 99 -1.660 7.453 -6.485 1.00 54.42 H new ATOM 0 HG21 VAL A 99 1.262 6.680 -7.328 1.00 24.22 H new ATOM 0 HG22 VAL A 99 0.011 5.444 -7.053 1.00 24.22 H new ATOM 0 HG23 VAL A 99 0.874 5.507 -8.609 1.00 24.22 H new ATOM 1488 N ASP A 100 -1.275 6.269 -11.453 1.00 24.24 N ATOM 1489 CA ASP A 100 -0.677 5.787 -12.720 1.00 32.34 C ATOM 1490 C ASP A 100 0.662 6.534 -12.958 1.00 73.11 C ATOM 1491 O ASP A 100 0.656 7.758 -13.120 1.00 72.22 O ATOM 1492 CB ASP A 100 -1.644 6.068 -13.915 1.00 42.03 C ATOM 1493 CG ASP A 100 -3.000 5.333 -13.882 1.00 71.02 C ATOM 1494 OD1 ASP A 100 -3.410 4.803 -12.827 1.00 54.04 O ATOM 1495 OD2 ASP A 100 -3.680 5.299 -14.933 1.00 4.11 O ATOM 0 H ASP A 100 -1.688 7.198 -11.529 1.00 24.24 H new ATOM 0 HA ASP A 100 -0.503 4.713 -12.651 1.00 32.34 H new ATOM 0 HB2 ASP A 100 -1.836 7.140 -13.955 1.00 42.03 H new ATOM 0 HB3 ASP A 100 -1.132 5.801 -14.840 1.00 42.03 H new ATOM 1500 N TYR A 101 1.795 5.804 -12.996 1.00 74.14 N ATOM 1501 CA TYR A 101 3.140 6.417 -13.181 1.00 0.25 C ATOM 1502 C TYR A 101 3.948 5.701 -14.294 1.00 42.43 C ATOM 1503 O TYR A 101 3.574 4.627 -14.777 1.00 2.15 O ATOM 1504 CB TYR A 101 3.942 6.403 -11.830 1.00 3.34 C ATOM 1505 CG TYR A 101 4.526 5.028 -11.416 1.00 24.42 C ATOM 1506 CD1 TYR A 101 3.734 4.053 -10.814 1.00 3.23 C ATOM 1507 CD2 TYR A 101 5.872 4.707 -11.657 1.00 30.21 C ATOM 1508 CE1 TYR A 101 4.258 2.820 -10.473 1.00 35.03 C ATOM 1509 CE2 TYR A 101 6.391 3.476 -11.313 1.00 3.31 C ATOM 1510 CZ TYR A 101 5.578 2.535 -10.726 1.00 45.42 C ATOM 1511 OH TYR A 101 6.087 1.295 -10.386 1.00 71.21 O ATOM 0 H TYR A 101 1.813 4.789 -12.902 1.00 74.14 H new ATOM 0 HA TYR A 101 2.989 7.450 -13.493 1.00 0.25 H new ATOM 0 HB2 TYR A 101 4.761 7.118 -11.906 1.00 3.34 H new ATOM 0 HB3 TYR A 101 3.285 6.754 -11.034 1.00 3.34 H new ATOM 0 HD1 TYR A 101 2.694 4.264 -10.610 1.00 3.23 H new ATOM 0 HD2 TYR A 101 6.515 5.440 -12.122 1.00 30.21 H new ATOM 0 HE1 TYR A 101 3.627 2.078 -10.006 1.00 35.03 H new ATOM 0 HE2 TYR A 101 7.430 3.252 -11.504 1.00 3.31 H new ATOM 0 HH TYR A 101 6.324 1.288 -9.435 1.00 71.21 H new ATOM 1521 N THR A 102 5.073 6.322 -14.685 1.00 33.31 N ATOM 1522 CA THR A 102 6.108 5.685 -15.534 1.00 24.05 C ATOM 1523 C THR A 102 7.423 5.591 -14.734 1.00 21.45 C ATOM 1524 O THR A 102 7.825 6.561 -14.082 1.00 4.13 O ATOM 1525 CB THR A 102 6.342 6.478 -16.869 1.00 63.23 C ATOM 1526 OG1 THR A 102 5.103 6.593 -17.597 1.00 12.43 O ATOM 1527 CG2 THR A 102 7.391 5.801 -17.775 1.00 64.44 C ATOM 0 H THR A 102 5.296 7.282 -14.424 1.00 33.31 H new ATOM 0 HA THR A 102 5.762 4.689 -15.809 1.00 24.05 H new ATOM 0 HB THR A 102 6.717 7.464 -16.593 1.00 63.23 H new ATOM 0 HG1 THR A 102 5.256 7.090 -18.427 1.00 12.43 H new ATOM 0 HG21 THR A 102 7.518 6.387 -18.685 1.00 64.44 H new ATOM 0 HG22 THR A 102 8.343 5.740 -17.247 1.00 64.44 H new ATOM 0 HG23 THR A 102 7.055 4.797 -18.033 1.00 64.44 H new ATOM 1535 N SER A 103 8.072 4.415 -14.762 1.00 21.41 N ATOM 1536 CA SER A 103 9.326 4.172 -14.009 1.00 72.03 C ATOM 1537 C SER A 103 10.531 4.907 -14.651 1.00 43.21 C ATOM 1538 O SER A 103 10.759 4.804 -15.856 1.00 51.35 O ATOM 1539 CB SER A 103 9.609 2.654 -13.921 1.00 24.43 C ATOM 1540 OG SER A 103 10.811 2.384 -13.210 1.00 34.34 O ATOM 0 H SER A 103 7.751 3.610 -15.300 1.00 21.41 H new ATOM 0 HA SER A 103 9.193 4.571 -13.004 1.00 72.03 H new ATOM 0 HB2 SER A 103 8.774 2.156 -13.427 1.00 24.43 H new ATOM 0 HB3 SER A 103 9.679 2.238 -14.926 1.00 24.43 H new ATOM 0 HG SER A 103 10.737 1.517 -12.760 1.00 34.34 H new ATOM 1546 N THR A 104 11.280 5.659 -13.823 1.00 74.12 N ATOM 1547 CA THR A 104 12.516 6.375 -14.237 1.00 63.21 C ATOM 1548 C THR A 104 13.652 5.397 -14.631 1.00 50.13 C ATOM 1549 O THR A 104 14.375 5.624 -15.604 1.00 1.04 O ATOM 1550 CB THR A 104 13.026 7.308 -13.086 1.00 54.14 C ATOM 1551 OG1 THR A 104 13.141 6.548 -11.868 1.00 75.42 O ATOM 1552 CG2 THR A 104 12.095 8.514 -12.848 1.00 32.43 C ATOM 0 H THR A 104 11.048 5.792 -12.839 1.00 74.12 H new ATOM 0 HA THR A 104 12.254 6.971 -15.111 1.00 63.21 H new ATOM 0 HB THR A 104 13.997 7.698 -13.390 1.00 54.14 H new ATOM 0 HG1 THR A 104 13.461 7.130 -11.148 1.00 75.42 H new ATOM 0 HG21 THR A 104 12.494 9.128 -12.041 1.00 32.43 H new ATOM 0 HG22 THR A 104 12.031 9.109 -13.759 1.00 32.43 H new ATOM 0 HG23 THR A 104 11.101 8.158 -12.576 1.00 32.43 H new ATOM 1560 N THR A 105 13.801 4.318 -13.846 1.00 25.10 N ATOM 1561 CA THR A 105 14.871 3.308 -14.043 1.00 23.14 C ATOM 1562 C THR A 105 14.469 2.219 -15.068 1.00 32.24 C ATOM 1563 O THR A 105 15.223 1.916 -16.001 1.00 72.21 O ATOM 1564 CB THR A 105 15.257 2.613 -12.693 1.00 12.52 C ATOM 1565 OG1 THR A 105 14.139 1.857 -12.184 1.00 12.03 O ATOM 1566 CG2 THR A 105 15.706 3.634 -11.631 1.00 33.32 C ATOM 0 H THR A 105 13.188 4.115 -13.056 1.00 25.10 H new ATOM 0 HA THR A 105 15.730 3.854 -14.432 1.00 23.14 H new ATOM 0 HB THR A 105 16.093 1.946 -12.900 1.00 12.52 H new ATOM 0 HG1 THR A 105 14.392 1.426 -11.341 1.00 12.03 H new ATOM 0 HG21 THR A 105 15.965 3.111 -10.710 1.00 33.32 H new ATOM 0 HG22 THR A 105 16.577 4.179 -11.996 1.00 33.32 H new ATOM 0 HG23 THR A 105 14.895 4.335 -11.435 1.00 33.32 H new ATOM 1574 N SER A 106 13.274 1.636 -14.879 1.00 20.41 N ATOM 1575 CA SER A 106 12.797 0.467 -15.666 1.00 24.41 C ATOM 1576 C SER A 106 12.047 0.873 -16.958 1.00 32.13 C ATOM 1577 O SER A 106 11.959 0.076 -17.898 1.00 31.00 O ATOM 1578 CB SER A 106 11.875 -0.411 -14.786 1.00 40.21 C ATOM 1579 OG SER A 106 12.542 -0.859 -13.610 1.00 75.53 O ATOM 0 H SER A 106 12.605 1.955 -14.178 1.00 20.41 H new ATOM 0 HA SER A 106 13.681 -0.092 -15.972 1.00 24.41 H new ATOM 0 HB2 SER A 106 10.988 0.158 -14.507 1.00 40.21 H new ATOM 0 HB3 SER A 106 11.534 -1.272 -15.361 1.00 40.21 H new ATOM 0 HG SER A 106 11.931 -1.409 -13.077 1.00 75.53 H new ATOM 1585 N GLY A 107 11.483 2.101 -16.982 1.00 24.11 N ATOM 1586 CA GLY A 107 10.699 2.592 -18.138 1.00 12.20 C ATOM 1587 C GLY A 107 9.283 2.006 -18.237 1.00 53.30 C ATOM 1588 O GLY A 107 8.563 2.280 -19.202 1.00 30.44 O ATOM 0 H GLY A 107 11.556 2.770 -16.215 1.00 24.11 H new ATOM 0 HA2 GLY A 107 10.627 3.678 -18.078 1.00 12.20 H new ATOM 0 HA3 GLY A 107 11.241 2.359 -19.055 1.00 12.20 H new ATOM 1592 N GLU A 108 8.886 1.201 -17.237 1.00 1.10 N ATOM 1593 CA GLU A 108 7.583 0.510 -17.221 1.00 25.31 C ATOM 1594 C GLU A 108 6.377 1.474 -17.059 1.00 13.24 C ATOM 1595 O GLU A 108 6.370 2.337 -16.174 1.00 64.32 O ATOM 1596 CB GLU A 108 7.565 -0.542 -16.082 1.00 3.12 C ATOM 1597 CG GLU A 108 8.653 -1.634 -16.176 1.00 23.04 C ATOM 1598 CD GLU A 108 8.637 -2.426 -17.497 1.00 3.00 C ATOM 1599 OE1 GLU A 108 7.568 -2.962 -17.869 1.00 34.41 O ATOM 1600 OE2 GLU A 108 9.694 -2.531 -18.163 1.00 25.40 O ATOM 0 H GLU A 108 9.459 1.010 -16.415 1.00 1.10 H new ATOM 0 HA GLU A 108 7.472 0.028 -18.192 1.00 25.31 H new ATOM 0 HB2 GLU A 108 7.675 -0.024 -15.129 1.00 3.12 H new ATOM 0 HB3 GLU A 108 6.588 -1.025 -16.071 1.00 3.12 H new ATOM 0 HG2 GLU A 108 9.631 -1.168 -16.056 1.00 23.04 H new ATOM 0 HG3 GLU A 108 8.527 -2.330 -15.346 1.00 23.04 H new ATOM 1607 N LYS A 109 5.361 1.294 -17.927 1.00 52.10 N ATOM 1608 CA LYS A 109 4.081 2.026 -17.856 1.00 12.42 C ATOM 1609 C LYS A 109 3.130 1.306 -16.865 1.00 30.54 C ATOM 1610 O LYS A 109 2.320 0.452 -17.255 1.00 2.53 O ATOM 1611 CB LYS A 109 3.435 2.125 -19.266 1.00 12.40 C ATOM 1612 CG LYS A 109 4.380 2.637 -20.380 1.00 11.41 C ATOM 1613 CD LYS A 109 3.682 2.716 -21.765 1.00 63.03 C ATOM 1614 CE LYS A 109 3.150 1.354 -22.259 1.00 3.20 C ATOM 1615 NZ LYS A 109 4.226 0.344 -22.428 1.00 62.54 N ATOM 0 H LYS A 109 5.406 0.632 -18.702 1.00 52.10 H new ATOM 0 HA LYS A 109 4.264 3.039 -17.498 1.00 12.42 H new ATOM 0 HB2 LYS A 109 3.063 1.140 -19.549 1.00 12.40 H new ATOM 0 HB3 LYS A 109 2.572 2.788 -19.209 1.00 12.40 H new ATOM 0 HG2 LYS A 109 4.754 3.624 -20.109 1.00 11.41 H new ATOM 0 HG3 LYS A 109 5.244 1.977 -20.450 1.00 11.41 H new ATOM 0 HD2 LYS A 109 2.854 3.422 -21.707 1.00 63.03 H new ATOM 0 HD3 LYS A 109 4.387 3.110 -22.497 1.00 63.03 H new ATOM 0 HE2 LYS A 109 2.413 0.978 -21.550 1.00 3.20 H new ATOM 0 HE3 LYS A 109 2.636 1.493 -23.210 1.00 3.20 H new ATOM 0 HZ1 LYS A 109 3.815 -0.545 -22.777 1.00 62.54 H new ATOM 0 HZ2 LYS A 109 4.927 0.694 -23.112 1.00 62.54 H new ATOM 0 HZ3 LYS A 109 4.690 0.175 -21.513 1.00 62.54 H new ATOM 1629 N VAL A 110 3.260 1.648 -15.579 1.00 54.01 N ATOM 1630 CA VAL A 110 2.552 0.951 -14.481 1.00 4.30 C ATOM 1631 C VAL A 110 1.360 1.801 -14.010 1.00 41.25 C ATOM 1632 O VAL A 110 1.529 2.964 -13.638 1.00 50.40 O ATOM 1633 CB VAL A 110 3.505 0.643 -13.266 1.00 53.51 C ATOM 1634 CG1 VAL A 110 2.768 -0.126 -12.131 1.00 61.14 C ATOM 1635 CG2 VAL A 110 4.763 -0.130 -13.727 1.00 24.53 C ATOM 0 H VAL A 110 3.856 2.413 -15.262 1.00 54.01 H new ATOM 0 HA VAL A 110 2.196 -0.004 -14.869 1.00 4.30 H new ATOM 0 HB VAL A 110 3.824 1.602 -12.857 1.00 53.51 H new ATOM 0 HG11 VAL A 110 3.461 -0.318 -11.312 1.00 61.14 H new ATOM 0 HG12 VAL A 110 1.934 0.474 -11.767 1.00 61.14 H new ATOM 0 HG13 VAL A 110 2.392 -1.073 -12.518 1.00 61.14 H new ATOM 0 HG21 VAL A 110 5.403 -0.329 -12.867 1.00 24.53 H new ATOM 0 HG22 VAL A 110 4.463 -1.074 -14.183 1.00 24.53 H new ATOM 0 HG23 VAL A 110 5.310 0.467 -14.456 1.00 24.53 H new ATOM 1645 N LYS A 111 0.156 1.210 -14.001 1.00 73.41 N ATOM 1646 CA LYS A 111 -1.086 1.933 -13.643 1.00 12.24 C ATOM 1647 C LYS A 111 -1.749 1.329 -12.390 1.00 11.35 C ATOM 1648 O LYS A 111 -1.571 0.143 -12.081 1.00 42.11 O ATOM 1649 CB LYS A 111 -2.105 1.989 -14.825 1.00 2.15 C ATOM 1650 CG LYS A 111 -2.534 0.631 -15.439 1.00 54.22 C ATOM 1651 CD LYS A 111 -1.523 0.073 -16.472 1.00 11.54 C ATOM 1652 CE LYS A 111 -1.366 0.985 -17.707 1.00 3.43 C ATOM 1653 NZ LYS A 111 -2.652 1.164 -18.448 1.00 62.24 N ATOM 0 H LYS A 111 0.010 0.229 -14.238 1.00 73.41 H new ATOM 0 HA LYS A 111 -0.790 2.958 -13.418 1.00 12.24 H new ATOM 0 HB2 LYS A 111 -3.001 2.504 -14.478 1.00 2.15 H new ATOM 0 HB3 LYS A 111 -1.673 2.600 -15.618 1.00 2.15 H new ATOM 0 HG2 LYS A 111 -2.662 -0.097 -14.638 1.00 54.22 H new ATOM 0 HG3 LYS A 111 -3.505 0.749 -15.920 1.00 54.22 H new ATOM 0 HD2 LYS A 111 -0.552 -0.052 -15.993 1.00 11.54 H new ATOM 0 HD3 LYS A 111 -1.849 -0.916 -16.795 1.00 11.54 H new ATOM 0 HE2 LYS A 111 -0.993 1.959 -17.391 1.00 3.43 H new ATOM 0 HE3 LYS A 111 -0.619 0.560 -18.377 1.00 3.43 H new ATOM 0 HZ1 LYS A 111 -2.477 1.699 -19.323 1.00 62.24 H new ATOM 0 HZ2 LYS A 111 -3.049 0.232 -18.685 1.00 62.24 H new ATOM 0 HZ3 LYS A 111 -3.326 1.686 -17.852 1.00 62.24 H new ATOM 1667 N ASN A 112 -2.504 2.192 -11.687 1.00 4.35 N ATOM 1668 CA ASN A 112 -3.277 1.838 -10.472 1.00 44.33 C ATOM 1669 C ASN A 112 -2.373 1.313 -9.322 1.00 13.14 C ATOM 1670 O ASN A 112 -2.828 0.544 -8.465 1.00 10.10 O ATOM 1671 CB ASN A 112 -4.415 0.814 -10.809 1.00 44.14 C ATOM 1672 CG ASN A 112 -5.538 1.366 -11.705 1.00 72.42 C ATOM 1673 OD1 ASN A 112 -5.228 2.254 -12.641 1.00 22.13 O flip ATOM 1674 ND2 ASN A 112 -6.693 0.976 -11.565 1.00 73.11 N flip ATOM 0 H ASN A 112 -2.599 3.173 -11.948 1.00 4.35 H new ATOM 0 HA ASN A 112 -3.738 2.758 -10.112 1.00 44.33 H new ATOM 0 HB2 ASN A 112 -3.971 -0.052 -11.300 1.00 44.14 H new ATOM 0 HB3 ASN A 112 -4.855 0.461 -9.876 1.00 44.14 H new ATOM 0 HD21 ASN A 112 -6.916 0.293 -10.841 1.00 73.11 H new ATOM 0 HD22 ASN A 112 -7.430 1.335 -12.173 1.00 73.11 H new ATOM 1681 N HIS A 113 -1.108 1.771 -9.296 1.00 75.34 N ATOM 1682 CA HIS A 113 -0.113 1.362 -8.284 1.00 42.41 C ATOM 1683 C HIS A 113 -0.512 1.879 -6.880 1.00 3.15 C ATOM 1684 O HIS A 113 -0.816 3.068 -6.702 1.00 51.04 O ATOM 1685 CB HIS A 113 1.295 1.866 -8.676 1.00 63.30 C ATOM 1686 CG HIS A 113 2.406 1.272 -7.845 1.00 10.51 C ATOM 1687 ND1 HIS A 113 2.947 0.048 -8.158 1.00 23.53 N ATOM 1688 CD2 HIS A 113 3.024 1.750 -6.731 1.00 54.14 C ATOM 1689 CE1 HIS A 113 3.861 -0.196 -7.241 1.00 65.52 C ATOM 1690 NE2 HIS A 113 3.944 0.804 -6.355 1.00 52.31 N ATOM 0 H HIS A 113 -0.745 2.437 -9.978 1.00 75.34 H new ATOM 0 HA HIS A 113 -0.089 0.273 -8.247 1.00 42.41 H new ATOM 0 HB2 HIS A 113 1.475 1.634 -9.726 1.00 63.30 H new ATOM 0 HB3 HIS A 113 1.322 2.951 -8.580 1.00 63.30 H new ATOM 0 HD1 HIS A 113 2.692 -0.551 -8.943 1.00 23.53 H new ATOM 0 HD2 HIS A 113 2.828 2.691 -6.238 1.00 54.14 H new ATOM 0 HE1 HIS A 113 4.467 -1.090 -7.208 1.00 65.52 H new ATOM 1698 N LYS A 114 -0.499 0.963 -5.897 1.00 53.12 N ATOM 1699 CA LYS A 114 -1.058 1.210 -4.557 1.00 50.32 C ATOM 1700 C LYS A 114 -0.522 0.176 -3.514 1.00 70.20 C ATOM 1701 O LYS A 114 -0.122 -0.925 -3.891 1.00 4.30 O ATOM 1702 CB LYS A 114 -2.617 1.190 -4.654 1.00 34.13 C ATOM 1703 CG LYS A 114 -3.229 -0.101 -5.247 1.00 42.42 C ATOM 1704 CD LYS A 114 -4.760 0.008 -5.433 1.00 72.20 C ATOM 1705 CE LYS A 114 -5.366 -1.219 -6.127 1.00 1.02 C ATOM 1706 NZ LYS A 114 -5.090 -2.481 -5.393 1.00 12.12 N ATOM 0 H LYS A 114 -0.101 0.031 -6.009 1.00 53.12 H new ATOM 0 HA LYS A 114 -0.737 2.190 -4.202 1.00 50.32 H new ATOM 0 HB2 LYS A 114 -3.028 1.341 -3.656 1.00 34.13 H new ATOM 0 HB3 LYS A 114 -2.937 2.036 -5.262 1.00 34.13 H new ATOM 0 HG2 LYS A 114 -2.762 -0.313 -6.209 1.00 42.42 H new ATOM 0 HG3 LYS A 114 -3.004 -0.942 -4.591 1.00 42.42 H new ATOM 0 HD2 LYS A 114 -5.231 0.138 -4.459 1.00 72.20 H new ATOM 0 HD3 LYS A 114 -4.987 0.899 -6.018 1.00 72.20 H new ATOM 0 HE2 LYS A 114 -6.444 -1.085 -6.220 1.00 1.02 H new ATOM 0 HE3 LYS A 114 -4.966 -1.295 -7.138 1.00 1.02 H new ATOM 0 HZ1 LYS A 114 -5.576 -3.270 -5.864 1.00 12.12 H new ATOM 0 HZ2 LYS A 114 -4.066 -2.661 -5.385 1.00 12.12 H new ATOM 0 HZ3 LYS A 114 -5.434 -2.396 -4.415 1.00 12.12 H new ATOM 1720 N TRP A 115 -0.486 0.509 -2.194 1.00 2.31 N ATOM 1721 CA TRP A 115 -0.939 1.809 -1.628 1.00 42.34 C ATOM 1722 C TRP A 115 0.253 2.730 -1.274 1.00 30.11 C ATOM 1723 O TRP A 115 1.232 2.300 -0.651 1.00 71.15 O ATOM 1724 CB TRP A 115 -1.832 1.584 -0.380 1.00 11.22 C ATOM 1725 CG TRP A 115 -3.114 0.837 -0.664 1.00 72.40 C ATOM 1726 CD1 TRP A 115 -3.419 -0.452 -0.321 1.00 42.51 C ATOM 1727 CD2 TRP A 115 -4.258 1.339 -1.373 1.00 71.32 C ATOM 1728 NE1 TRP A 115 -4.672 -0.769 -0.766 1.00 62.12 N ATOM 1729 CE2 TRP A 115 -5.202 0.303 -1.424 1.00 43.21 C ATOM 1730 CE3 TRP A 115 -4.569 2.562 -1.981 1.00 72.11 C ATOM 1731 CZ2 TRP A 115 -6.437 0.449 -2.044 1.00 62.32 C ATOM 1732 CZ3 TRP A 115 -5.792 2.703 -2.598 1.00 2.43 C ATOM 1733 CH2 TRP A 115 -6.714 1.649 -2.629 1.00 14.10 C ATOM 0 H TRP A 115 -0.135 -0.131 -1.482 1.00 2.31 H new ATOM 0 HA TRP A 115 -1.527 2.308 -2.398 1.00 42.34 H new ATOM 0 HB2 TRP A 115 -1.261 1.033 0.367 1.00 11.22 H new ATOM 0 HB3 TRP A 115 -2.078 2.552 0.057 1.00 11.22 H new ATOM 0 HD1 TRP A 115 -2.766 -1.120 0.221 1.00 42.51 H new ATOM 0 HE1 TRP A 115 -5.138 -1.666 -0.628 1.00 62.12 H new ATOM 0 HE3 TRP A 115 -3.863 3.379 -1.966 1.00 72.11 H new ATOM 0 HZ2 TRP A 115 -7.152 -0.360 -2.062 1.00 62.32 H new ATOM 0 HZ3 TRP A 115 -6.045 3.643 -3.066 1.00 2.43 H new ATOM 0 HH2 TRP A 115 -7.663 1.790 -3.126 1.00 14.10 H new ATOM 1744 N VAL A 116 0.135 3.999 -1.699 1.00 12.12 N ATOM 1745 CA VAL A 116 1.099 5.087 -1.387 1.00 65.23 C ATOM 1746 C VAL A 116 0.330 6.285 -0.784 1.00 53.12 C ATOM 1747 O VAL A 116 -0.760 6.608 -1.245 1.00 23.34 O ATOM 1748 CB VAL A 116 1.904 5.544 -2.672 1.00 35.22 C ATOM 1749 CG1 VAL A 116 2.856 4.422 -3.169 1.00 32.12 C ATOM 1750 CG2 VAL A 116 0.948 6.003 -3.811 1.00 21.24 C ATOM 0 H VAL A 116 -0.644 4.311 -2.279 1.00 12.12 H new ATOM 0 HA VAL A 116 1.826 4.709 -0.668 1.00 65.23 H new ATOM 0 HB VAL A 116 2.514 6.401 -2.384 1.00 35.22 H new ATOM 0 HG11 VAL A 116 3.394 4.766 -4.052 1.00 32.12 H new ATOM 0 HG12 VAL A 116 3.569 4.175 -2.383 1.00 32.12 H new ATOM 0 HG13 VAL A 116 2.273 3.536 -3.422 1.00 32.12 H new ATOM 0 HG21 VAL A 116 1.535 6.310 -4.677 1.00 21.24 H new ATOM 0 HG22 VAL A 116 0.292 5.178 -4.090 1.00 21.24 H new ATOM 0 HG23 VAL A 116 0.346 6.843 -3.465 1.00 21.24 H new ATOM 1760 N THR A 117 0.887 6.944 0.242 1.00 73.24 N ATOM 1761 CA THR A 117 0.181 8.060 0.933 1.00 23.13 C ATOM 1762 C THR A 117 0.577 9.438 0.362 1.00 52.31 C ATOM 1763 O THR A 117 1.484 9.547 -0.468 1.00 44.33 O ATOM 1764 CB THR A 117 0.463 8.056 2.471 1.00 3.15 C ATOM 1765 OG1 THR A 117 1.831 8.402 2.722 1.00 74.44 O ATOM 1766 CG2 THR A 117 0.149 6.697 3.111 1.00 64.01 C ATOM 0 H THR A 117 1.813 6.736 0.617 1.00 73.24 H new ATOM 0 HA THR A 117 -0.882 7.895 0.758 1.00 23.13 H new ATOM 0 HB THR A 117 -0.195 8.798 2.923 1.00 3.15 H new ATOM 0 HG1 THR A 117 2.134 7.963 3.544 1.00 74.44 H new ATOM 0 HG21 THR A 117 0.360 6.741 4.180 1.00 64.01 H new ATOM 0 HG22 THR A 117 -0.903 6.457 2.958 1.00 64.01 H new ATOM 0 HG23 THR A 117 0.767 5.926 2.650 1.00 64.01 H new ATOM 1774 N GLU A 118 -0.116 10.495 0.836 1.00 72.03 N ATOM 1775 CA GLU A 118 0.232 11.904 0.527 1.00 42.31 C ATOM 1776 C GLU A 118 1.626 12.283 1.113 1.00 63.45 C ATOM 1777 O GLU A 118 2.265 13.250 0.674 1.00 0.23 O ATOM 1778 CB GLU A 118 -0.883 12.832 1.085 1.00 61.45 C ATOM 1779 CG GLU A 118 -0.775 14.309 0.670 1.00 42.30 C ATOM 1780 CD GLU A 118 -1.955 15.167 1.137 1.00 42.24 C ATOM 1781 OE1 GLU A 118 -3.033 15.103 0.503 1.00 72.15 O ATOM 1782 OE2 GLU A 118 -1.815 15.906 2.136 1.00 43.30 O ATOM 0 H GLU A 118 -0.931 10.399 1.442 1.00 72.03 H new ATOM 0 HA GLU A 118 0.298 12.029 -0.554 1.00 42.31 H new ATOM 0 HB2 GLU A 118 -1.850 12.449 0.758 1.00 61.45 H new ATOM 0 HB3 GLU A 118 -0.870 12.775 2.173 1.00 61.45 H new ATOM 0 HG2 GLU A 118 0.148 14.725 1.075 1.00 42.30 H new ATOM 0 HG3 GLU A 118 -0.702 14.368 -0.416 1.00 42.30 H new ATOM 1789 N ASP A 119 2.081 11.495 2.108 1.00 33.11 N ATOM 1790 CA ASP A 119 3.424 11.611 2.700 1.00 12.04 C ATOM 1791 C ASP A 119 4.512 11.131 1.699 1.00 4.14 C ATOM 1792 O ASP A 119 5.614 11.685 1.662 1.00 42.25 O ATOM 1793 CB ASP A 119 3.487 10.786 4.010 1.00 73.40 C ATOM 1794 CG ASP A 119 2.361 11.158 4.992 1.00 4.34 C ATOM 1795 OD1 ASP A 119 1.257 10.562 4.920 1.00 13.13 O ATOM 1796 OD2 ASP A 119 2.561 12.059 5.829 1.00 1.24 O ATOM 0 H ASP A 119 1.519 10.753 2.526 1.00 33.11 H new ATOM 0 HA ASP A 119 3.619 12.659 2.928 1.00 12.04 H new ATOM 0 HB2 ASP A 119 3.421 9.724 3.771 1.00 73.40 H new ATOM 0 HB3 ASP A 119 4.452 10.946 4.491 1.00 73.40 H new ATOM 1801 N GLU A 120 4.182 10.111 0.868 1.00 51.13 N ATOM 1802 CA GLU A 120 5.102 9.585 -0.187 1.00 25.34 C ATOM 1803 C GLU A 120 4.985 10.394 -1.508 1.00 64.44 C ATOM 1804 O GLU A 120 5.734 10.153 -2.464 1.00 63.02 O ATOM 1805 CB GLU A 120 4.837 8.066 -0.483 1.00 33.43 C ATOM 1806 CG GLU A 120 5.398 7.062 0.559 1.00 60.15 C ATOM 1807 CD GLU A 120 4.584 6.977 1.859 1.00 32.52 C ATOM 1808 OE1 GLU A 120 3.589 6.216 1.895 1.00 45.03 O ATOM 1809 OE2 GLU A 120 4.931 7.664 2.853 1.00 50.21 O ATOM 0 H GLU A 120 3.283 9.631 0.904 1.00 51.13 H new ATOM 0 HA GLU A 120 6.113 9.697 0.205 1.00 25.34 H new ATOM 0 HB2 GLU A 120 3.761 7.914 -0.562 1.00 33.43 H new ATOM 0 HB3 GLU A 120 5.265 7.826 -1.456 1.00 33.43 H new ATOM 0 HG2 GLU A 120 5.440 6.072 0.105 1.00 60.15 H new ATOM 0 HG3 GLU A 120 6.422 7.345 0.803 1.00 60.15 H new ATOM 1816 N LEU A 121 4.074 11.380 -1.549 1.00 54.03 N ATOM 1817 CA LEU A 121 3.757 12.136 -2.780 1.00 4.43 C ATOM 1818 C LEU A 121 3.920 13.658 -2.554 1.00 22.31 C ATOM 1819 O LEU A 121 3.941 14.152 -1.427 1.00 2.21 O ATOM 1820 CB LEU A 121 2.299 11.825 -3.257 1.00 30.05 C ATOM 1821 CG LEU A 121 1.993 10.339 -3.649 1.00 61.54 C ATOM 1822 CD1 LEU A 121 0.500 10.151 -4.003 1.00 43.20 C ATOM 1823 CD2 LEU A 121 2.902 9.859 -4.805 1.00 74.21 C ATOM 0 H LEU A 121 3.536 11.678 -0.735 1.00 54.03 H new ATOM 0 HA LEU A 121 4.459 11.822 -3.553 1.00 4.43 H new ATOM 0 HB2 LEU A 121 1.611 12.117 -2.464 1.00 30.05 H new ATOM 0 HB3 LEU A 121 2.080 12.457 -4.118 1.00 30.05 H new ATOM 0 HG LEU A 121 2.212 9.720 -2.779 1.00 61.54 H new ATOM 0 HD11 LEU A 121 0.318 9.110 -4.271 1.00 43.20 H new ATOM 0 HD12 LEU A 121 -0.114 10.417 -3.143 1.00 43.20 H new ATOM 0 HD13 LEU A 121 0.242 10.793 -4.845 1.00 43.20 H new ATOM 0 HD21 LEU A 121 2.662 8.824 -5.051 1.00 74.21 H new ATOM 0 HD22 LEU A 121 2.739 10.487 -5.681 1.00 74.21 H new ATOM 0 HD23 LEU A 121 3.946 9.927 -4.499 1.00 74.21 H new ATOM 1835 N SER A 122 4.049 14.372 -3.663 1.00 2.01 N ATOM 1836 CA SER A 122 3.970 15.846 -3.740 1.00 73.33 C ATOM 1837 C SER A 122 3.211 16.191 -5.017 1.00 3.02 C ATOM 1838 O SER A 122 3.321 15.454 -5.972 1.00 75.02 O ATOM 1839 CB SER A 122 5.376 16.492 -3.777 1.00 73.12 C ATOM 1840 OG SER A 122 6.017 16.409 -2.519 1.00 32.23 O ATOM 0 H SER A 122 4.217 13.938 -4.571 1.00 2.01 H new ATOM 0 HA SER A 122 3.463 16.232 -2.856 1.00 73.33 H new ATOM 0 HB2 SER A 122 5.986 15.995 -4.531 1.00 73.12 H new ATOM 0 HB3 SER A 122 5.290 17.537 -4.075 1.00 73.12 H new ATOM 0 HG SER A 122 6.828 16.959 -2.528 1.00 32.23 H new ATOM 1846 N ALA A 123 2.431 17.284 -5.040 1.00 22.44 N ATOM 1847 CA ALA A 123 1.726 17.733 -6.278 1.00 32.52 C ATOM 1848 C ALA A 123 2.726 18.017 -7.434 1.00 25.31 C ATOM 1849 O ALA A 123 3.928 18.136 -7.181 1.00 42.00 O ATOM 1850 CB ALA A 123 0.854 18.959 -5.986 1.00 31.45 C ATOM 0 H ALA A 123 2.266 17.878 -4.227 1.00 22.44 H new ATOM 0 HA ALA A 123 1.076 16.922 -6.606 1.00 32.52 H new ATOM 0 HB1 ALA A 123 0.348 19.272 -6.900 1.00 31.45 H new ATOM 0 HB2 ALA A 123 0.112 18.706 -5.229 1.00 31.45 H new ATOM 0 HB3 ALA A 123 1.481 19.773 -5.622 1.00 31.45 H new ATOM 1856 N LYS A 124 2.233 18.069 -8.696 1.00 60.23 N ATOM 1857 CA LYS A 124 3.098 18.263 -9.893 1.00 65.42 C ATOM 1858 C LYS A 124 3.975 19.544 -9.757 1.00 72.13 C ATOM 1859 O LYS A 124 3.514 20.666 -9.979 1.00 10.41 O ATOM 1860 CB LYS A 124 2.231 18.286 -11.182 1.00 22.11 C ATOM 1861 CG LYS A 124 3.018 18.295 -12.513 1.00 55.22 C ATOM 1862 CD LYS A 124 3.857 17.013 -12.715 1.00 41.31 C ATOM 1863 CE LYS A 124 4.667 17.033 -14.020 1.00 53.24 C ATOM 1864 NZ LYS A 124 3.800 17.046 -15.227 1.00 3.21 N ATOM 0 H LYS A 124 1.241 17.980 -8.914 1.00 60.23 H new ATOM 0 HA LYS A 124 3.785 17.420 -9.966 1.00 65.42 H new ATOM 0 HB2 LYS A 124 1.575 17.415 -11.174 1.00 22.11 H new ATOM 0 HB3 LYS A 124 1.591 19.168 -11.153 1.00 22.11 H new ATOM 0 HG2 LYS A 124 2.320 18.403 -13.343 1.00 55.22 H new ATOM 0 HG3 LYS A 124 3.677 19.163 -12.536 1.00 55.22 H new ATOM 0 HD2 LYS A 124 4.537 16.893 -11.872 1.00 41.31 H new ATOM 0 HD3 LYS A 124 3.195 16.147 -12.717 1.00 41.31 H new ATOM 0 HE2 LYS A 124 5.312 17.912 -14.030 1.00 53.24 H new ATOM 0 HE3 LYS A 124 5.318 16.159 -14.053 1.00 53.24 H new ATOM 0 HZ1 LYS A 124 4.182 16.388 -15.936 1.00 3.21 H new ATOM 0 HZ2 LYS A 124 2.837 16.753 -14.966 1.00 3.21 H new ATOM 0 HZ3 LYS A 124 3.773 18.006 -15.625 1.00 3.21 H new