USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 811 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 11 CYS SG : rot -140:sc= 0.999 USER MOD Set 1.2: A 87 TYR OH : rot 102:sc= 1.26 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.083 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 146:sc= 0.0527 (180deg=0) USER MOD Single : A 4 SER OG : rot -20:sc= 0.418 USER MOD Single : A 5 MET CE :methyl -170:sc= -1.05 (180deg=-1.6) USER MOD Single : A 6 ASN : amide:sc= 0.253 K(o=0.25,f=-2.6) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0847) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 34 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.5) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 16:sc= 0.186! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 30:sc= 0.526 USER MOD Single : A 64 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.24) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 19:sc= -0.087 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00452 X(o=-0.0045,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 89 THR OG1 : rot -43:sc= 0.886 USER MOD Single : A 90 MET CE :methyl -106:sc= -1.13 (180deg=-2.59) USER MOD Single : A 91 ASN : amide:sc= -2.4 X(o=-2.4,f=-2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.25) USER MOD Single : A 104 ASN : amide:sc= -2.13 K(o=-2.1,f=-5!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 7.442 -13.961 -3.307 1.00 13.32 N ATOM 30 CA SER A 4 7.319 -12.740 -2.518 1.00 41.01 C ATOM 31 C SER A 4 6.145 -11.895 -3.003 1.00 63.23 C ATOM 32 O SER A 4 5.567 -12.163 -4.056 1.00 31.24 O ATOM 33 CB SER A 4 8.613 -11.927 -2.594 1.00 1.33 C ATOM 34 OG SER A 4 9.173 -11.981 -3.894 1.00 43.54 O ATOM 0 HA SER A 4 7.136 -13.023 -1.482 1.00 41.01 H new ATOM 0 HB2 SER A 4 8.411 -10.890 -2.324 1.00 1.33 H new ATOM 0 HB3 SER A 4 9.331 -12.311 -1.869 1.00 1.33 H new ATOM 0 HG SER A 4 8.819 -12.761 -4.370 1.00 43.54 H new ATOM 40 N MET A 5 5.798 -10.875 -2.227 1.00 11.42 N ATOM 41 CA MET A 5 4.694 -9.989 -2.577 1.00 75.12 C ATOM 42 C MET A 5 5.187 -8.561 -2.787 1.00 34.13 C ATOM 43 O MET A 5 6.219 -8.166 -2.248 1.00 31.00 O ATOM 44 CB MET A 5 3.624 -10.017 -1.484 1.00 11.25 C ATOM 45 CG MET A 5 2.219 -9.752 -2.001 1.00 20.10 C ATOM 46 SD MET A 5 1.561 -8.166 -1.449 1.00 24.41 S ATOM 47 CE MET A 5 1.506 -8.421 0.323 1.00 4.13 C ATOM 0 H MET A 5 6.265 -10.641 -1.351 1.00 11.42 H new ATOM 0 HA MET A 5 4.258 -10.344 -3.511 1.00 75.12 H new ATOM 0 HB2 MET A 5 3.644 -10.990 -0.993 1.00 11.25 H new ATOM 0 HB3 MET A 5 3.870 -9.272 -0.727 1.00 11.25 H new ATOM 0 HG2 MET A 5 2.226 -9.778 -3.091 1.00 20.10 H new ATOM 0 HG3 MET A 5 1.557 -10.551 -1.668 1.00 20.10 H new ATOM 0 HE1 MET A 5 0.959 -7.603 0.792 1.00 4.13 H new ATOM 0 HE2 MET A 5 1.004 -9.364 0.539 1.00 4.13 H new ATOM 0 HE3 MET A 5 2.521 -8.451 0.718 1.00 4.13 H new ATOM 57 N ASN A 6 4.440 -7.793 -3.573 1.00 43.43 N ATOM 58 CA ASN A 6 4.803 -6.408 -3.856 1.00 30.34 C ATOM 59 C ASN A 6 3.714 -5.452 -3.378 1.00 22.21 C ATOM 60 O ASN A 6 2.593 -5.468 -3.887 1.00 53.14 O ATOM 61 CB ASN A 6 5.044 -6.216 -5.354 1.00 74.31 C ATOM 62 CG ASN A 6 6.194 -7.061 -5.868 1.00 33.35 C ATOM 63 OD1 ASN A 6 7.094 -7.428 -5.113 1.00 11.41 O ATOM 64 ND2 ASN A 6 6.168 -7.373 -7.158 1.00 30.34 N ATOM 0 H ASN A 6 3.581 -8.105 -4.025 1.00 43.43 H new ATOM 0 HA ASN A 6 5.723 -6.183 -3.316 1.00 30.34 H new ATOM 0 HB2 ASN A 6 4.136 -6.471 -5.901 1.00 74.31 H new ATOM 0 HB3 ASN A 6 5.251 -5.165 -5.554 1.00 74.31 H new ATOM 0 HD21 ASN A 6 6.915 -7.939 -7.561 1.00 30.34 H new ATOM 0 HD22 ASN A 6 5.401 -7.046 -7.746 1.00 30.34 H new ATOM 71 N ILE A 7 4.052 -4.622 -2.397 1.00 0.23 N ATOM 72 CA ILE A 7 3.104 -3.658 -1.852 1.00 70.04 C ATOM 73 C ILE A 7 3.393 -2.252 -2.366 1.00 12.32 C ATOM 74 O ILE A 7 4.544 -1.816 -2.401 1.00 63.31 O ATOM 75 CB ILE A 7 3.135 -3.647 -0.313 1.00 1.24 C ATOM 76 CG1 ILE A 7 2.888 -5.054 0.235 1.00 64.13 C ATOM 77 CG2 ILE A 7 2.101 -2.672 0.231 1.00 40.00 C ATOM 78 CD1 ILE A 7 4.119 -5.691 0.840 1.00 14.35 C ATOM 0 H ILE A 7 4.975 -4.598 -1.963 1.00 0.23 H new ATOM 0 HA ILE A 7 2.113 -3.967 -2.185 1.00 70.04 H new ATOM 0 HB ILE A 7 4.122 -3.319 0.013 1.00 1.24 H new ATOM 0 HG12 ILE A 7 2.104 -5.008 0.991 1.00 64.13 H new ATOM 0 HG13 ILE A 7 2.518 -5.689 -0.570 1.00 64.13 H new ATOM 0 HG21 ILE A 7 2.135 -2.676 1.320 1.00 40.00 H new ATOM 0 HG22 ILE A 7 2.319 -1.669 -0.136 1.00 40.00 H new ATOM 0 HG23 ILE A 7 1.107 -2.972 -0.102 1.00 40.00 H new ATOM 0 HD11 ILE A 7 3.870 -6.686 1.208 1.00 14.35 H new ATOM 0 HD12 ILE A 7 4.898 -5.769 0.082 1.00 14.35 H new ATOM 0 HD13 ILE A 7 4.477 -5.078 1.667 1.00 14.35 H new ATOM 90 N LEU A 8 2.340 -1.544 -2.761 1.00 23.03 N ATOM 91 CA LEU A 8 2.480 -0.184 -3.271 1.00 74.32 C ATOM 92 C LEU A 8 1.907 0.829 -2.285 1.00 72.10 C ATOM 93 O LEU A 8 0.885 0.578 -1.644 1.00 63.32 O ATOM 94 CB LEU A 8 1.776 -0.052 -4.623 1.00 43.42 C ATOM 95 CG LEU A 8 1.899 1.308 -5.313 1.00 22.41 C ATOM 96 CD1 LEU A 8 3.358 1.728 -5.409 1.00 73.34 C ATOM 97 CD2 LEU A 8 1.261 1.265 -6.694 1.00 4.13 C ATOM 0 H LEU A 8 1.380 -1.889 -2.738 1.00 23.03 H new ATOM 0 HA LEU A 8 3.542 0.023 -3.399 1.00 74.32 H new ATOM 0 HB2 LEU A 8 2.173 -0.814 -5.293 1.00 43.42 H new ATOM 0 HB3 LEU A 8 0.718 -0.271 -4.482 1.00 43.42 H new ATOM 0 HG LEU A 8 1.369 2.048 -4.713 1.00 22.41 H new ATOM 0 HD11 LEU A 8 3.426 2.697 -5.903 1.00 73.34 H new ATOM 0 HD12 LEU A 8 3.783 1.800 -4.408 1.00 73.34 H new ATOM 0 HD13 LEU A 8 3.913 0.988 -5.986 1.00 73.34 H new ATOM 0 HD21 LEU A 8 1.358 2.241 -7.170 1.00 4.13 H new ATOM 0 HD22 LEU A 8 1.762 0.513 -7.303 1.00 4.13 H new ATOM 0 HD23 LEU A 8 0.205 1.011 -6.599 1.00 4.13 H new ATOM 109 N LEU A 9 2.569 1.975 -2.171 1.00 30.42 N ATOM 110 CA LEU A 9 2.125 3.028 -1.264 1.00 20.30 C ATOM 111 C LEU A 9 1.893 4.332 -2.019 1.00 13.45 C ATOM 112 O LEU A 9 2.739 4.772 -2.798 1.00 30.53 O ATOM 113 CB LEU A 9 3.157 3.243 -0.156 1.00 65.51 C ATOM 114 CG LEU A 9 2.660 3.973 1.093 1.00 73.14 C ATOM 115 CD1 LEU A 9 1.484 3.232 1.711 1.00 41.34 C ATOM 116 CD2 LEU A 9 3.785 4.128 2.104 1.00 24.20 C ATOM 0 H LEU A 9 3.415 2.199 -2.695 1.00 30.42 H new ATOM 0 HA LEU A 9 1.182 2.715 -0.816 1.00 20.30 H new ATOM 0 HB2 LEU A 9 3.544 2.270 0.146 1.00 65.51 H new ATOM 0 HB3 LEU A 9 3.994 3.804 -0.571 1.00 65.51 H new ATOM 0 HG LEU A 9 2.324 4.967 0.799 1.00 73.14 H new ATOM 0 HD11 LEU A 9 1.144 3.766 2.598 1.00 41.34 H new ATOM 0 HD12 LEU A 9 0.670 3.174 0.988 1.00 41.34 H new ATOM 0 HD13 LEU A 9 1.794 2.225 1.990 1.00 41.34 H new ATOM 0 HD21 LEU A 9 3.413 4.650 2.986 1.00 24.20 H new ATOM 0 HD22 LEU A 9 4.153 3.143 2.393 1.00 24.20 H new ATOM 0 HD23 LEU A 9 4.598 4.702 1.659 1.00 24.20 H new ATOM 128 N VAL A 10 0.739 4.950 -1.780 1.00 44.43 N ATOM 129 CA VAL A 10 0.396 6.207 -2.435 1.00 4.32 C ATOM 130 C VAL A 10 0.245 7.333 -1.417 1.00 54.13 C ATOM 131 O VAL A 10 -0.347 7.145 -0.354 1.00 13.52 O ATOM 132 CB VAL A 10 -0.909 6.082 -3.243 1.00 25.21 C ATOM 133 CG1 VAL A 10 -1.190 7.367 -4.006 1.00 62.32 C ATOM 134 CG2 VAL A 10 -0.834 4.894 -4.191 1.00 53.24 C ATOM 0 H VAL A 10 0.027 4.600 -1.138 1.00 44.43 H new ATOM 0 HA VAL A 10 1.214 6.443 -3.116 1.00 4.32 H new ATOM 0 HB VAL A 10 -1.732 5.914 -2.549 1.00 25.21 H new ATOM 0 HG11 VAL A 10 -2.116 7.260 -4.571 1.00 62.32 H new ATOM 0 HG12 VAL A 10 -1.288 8.194 -3.303 1.00 62.32 H new ATOM 0 HG13 VAL A 10 -0.368 7.570 -4.692 1.00 62.32 H new ATOM 0 HG21 VAL A 10 -1.764 4.819 -4.755 1.00 53.24 H new ATOM 0 HG22 VAL A 10 -0.001 5.031 -4.881 1.00 53.24 H new ATOM 0 HG23 VAL A 10 -0.683 3.980 -3.617 1.00 53.24 H new ATOM 144 N CYS A 11 0.782 8.501 -1.751 1.00 73.21 N ATOM 145 CA CYS A 11 0.707 9.658 -0.866 1.00 12.13 C ATOM 146 C CYS A 11 1.334 10.885 -1.521 1.00 30.13 C ATOM 147 O CYS A 11 0.632 11.798 -1.953 1.00 34.25 O ATOM 148 CB CYS A 11 1.407 9.358 0.460 1.00 72.32 C ATOM 149 SG CYS A 11 1.523 10.780 1.571 1.00 21.34 S ATOM 0 H CYS A 11 1.274 8.672 -2.628 1.00 73.21 H new ATOM 0 HA CYS A 11 -0.345 9.870 -0.673 1.00 12.13 H new ATOM 0 HB2 CYS A 11 0.871 8.556 0.968 1.00 72.32 H new ATOM 0 HB3 CYS A 11 2.412 8.989 0.253 1.00 72.32 H new ATOM 0 HG CYS A 11 2.686 10.783 2.152 1.00 21.34 H new ATOM 232 N MET A 19 9.436 7.242 5.636 1.00 15.12 N ATOM 233 CA MET A 19 9.126 6.759 6.977 1.00 14.34 C ATOM 234 C MET A 19 8.355 5.443 6.916 1.00 2.31 C ATOM 235 O MET A 19 8.735 4.460 7.553 1.00 35.21 O ATOM 236 CB MET A 19 8.313 7.804 7.743 1.00 33.04 C ATOM 237 CG MET A 19 9.029 9.136 7.900 1.00 72.42 C ATOM 238 SD MET A 19 9.799 9.325 9.519 1.00 64.22 S ATOM 239 CE MET A 19 11.495 9.662 9.050 1.00 74.42 C ATOM 0 HA MET A 19 10.066 6.585 7.500 1.00 14.34 H new ATOM 0 HB2 MET A 19 7.368 7.968 7.225 1.00 33.04 H new ATOM 0 HB3 MET A 19 8.072 7.412 8.731 1.00 33.04 H new ATOM 0 HG2 MET A 19 9.792 9.227 7.127 1.00 72.42 H new ATOM 0 HG3 MET A 19 8.318 9.947 7.744 1.00 72.42 H new ATOM 0 HE1 MET A 19 12.099 9.803 9.946 1.00 74.42 H new ATOM 0 HE2 MET A 19 11.887 8.823 8.476 1.00 74.42 H new ATOM 0 HE3 MET A 19 11.532 10.566 8.442 1.00 74.42 H new ATOM 249 N LEU A 20 7.272 5.433 6.147 1.00 0.43 N ATOM 250 CA LEU A 20 6.447 4.238 6.004 1.00 62.53 C ATOM 251 C LEU A 20 7.297 3.035 5.605 1.00 54.01 C ATOM 252 O LEU A 20 7.362 2.041 6.328 1.00 54.21 O ATOM 253 CB LEU A 20 5.353 4.472 4.961 1.00 72.02 C ATOM 254 CG LEU A 20 3.954 4.756 5.508 1.00 33.23 C ATOM 255 CD1 LEU A 20 3.359 3.501 6.129 1.00 3.34 C ATOM 256 CD2 LEU A 20 3.999 5.887 6.525 1.00 55.31 C ATOM 0 H LEU A 20 6.945 6.238 5.613 1.00 0.43 H new ATOM 0 HA LEU A 20 5.983 4.029 6.968 1.00 62.53 H new ATOM 0 HB2 LEU A 20 5.652 5.310 4.332 1.00 72.02 H new ATOM 0 HB3 LEU A 20 5.298 3.594 4.318 1.00 72.02 H new ATOM 0 HG LEU A 20 3.316 5.064 4.680 1.00 33.23 H new ATOM 0 HD11 LEU A 20 2.363 3.722 6.513 1.00 3.34 H new ATOM 0 HD12 LEU A 20 3.291 2.718 5.373 1.00 3.34 H new ATOM 0 HD13 LEU A 20 3.996 3.162 6.946 1.00 3.34 H new ATOM 0 HD21 LEU A 20 2.995 6.076 6.904 1.00 55.31 H new ATOM 0 HD22 LEU A 20 4.652 5.607 7.352 1.00 55.31 H new ATOM 0 HD23 LEU A 20 4.383 6.789 6.049 1.00 55.31 H new ATOM 268 N VAL A 21 7.949 3.134 4.450 1.00 11.44 N ATOM 269 CA VAL A 21 8.798 2.056 3.957 1.00 10.45 C ATOM 270 C VAL A 21 9.797 1.614 5.020 1.00 23.50 C ATOM 271 O VAL A 21 10.045 0.420 5.195 1.00 52.42 O ATOM 272 CB VAL A 21 9.564 2.481 2.691 1.00 43.03 C ATOM 273 CG1 VAL A 21 10.443 1.344 2.193 1.00 61.33 C ATOM 274 CG2 VAL A 21 8.596 2.931 1.608 1.00 45.34 C ATOM 0 H VAL A 21 7.905 3.950 3.839 1.00 11.44 H new ATOM 0 HA VAL A 21 8.141 1.221 3.712 1.00 10.45 H new ATOM 0 HB VAL A 21 10.208 3.324 2.943 1.00 43.03 H new ATOM 0 HG11 VAL A 21 10.977 1.662 1.298 1.00 61.33 H new ATOM 0 HG12 VAL A 21 11.161 1.074 2.967 1.00 61.33 H new ATOM 0 HG13 VAL A 21 9.822 0.480 1.957 1.00 61.33 H new ATOM 0 HG21 VAL A 21 9.155 3.228 0.721 1.00 45.34 H new ATOM 0 HG22 VAL A 21 7.925 2.110 1.356 1.00 45.34 H new ATOM 0 HG23 VAL A 21 8.013 3.778 1.970 1.00 45.34 H new ATOM 284 N GLN A 22 10.369 2.583 5.726 1.00 32.14 N ATOM 285 CA GLN A 22 11.343 2.293 6.772 1.00 3.21 C ATOM 286 C GLN A 22 10.748 1.368 7.829 1.00 33.51 C ATOM 287 O GLN A 22 11.235 0.257 8.041 1.00 44.42 O ATOM 288 CB GLN A 22 11.823 3.590 7.426 1.00 42.41 C ATOM 289 CG GLN A 22 13.197 4.038 6.951 1.00 35.20 C ATOM 290 CD GLN A 22 13.488 5.487 7.289 1.00 32.32 C ATOM 291 OE1 GLN A 22 13.156 6.393 6.525 1.00 72.24 O ATOM 292 NE2 GLN A 22 14.110 5.712 8.440 1.00 13.24 N ATOM 0 H GLN A 22 10.175 3.576 5.593 1.00 32.14 H new ATOM 0 HA GLN A 22 12.193 1.790 6.311 1.00 3.21 H new ATOM 0 HB2 GLN A 22 11.101 4.380 7.220 1.00 42.41 H new ATOM 0 HB3 GLN A 22 11.848 3.455 8.507 1.00 42.41 H new ATOM 0 HG2 GLN A 22 13.959 3.403 7.404 1.00 35.20 H new ATOM 0 HG3 GLN A 22 13.267 3.899 5.872 1.00 35.20 H new ATOM 0 HE21 GLN A 22 14.367 4.930 9.042 1.00 13.24 H new ATOM 0 HE22 GLN A 22 14.331 6.667 8.722 1.00 13.24 H new ATOM 301 N ARG A 23 9.692 1.834 8.489 1.00 63.42 N ATOM 302 CA ARG A 23 9.032 1.049 9.525 1.00 73.13 C ATOM 303 C ARG A 23 8.663 -0.337 9.004 1.00 70.22 C ATOM 304 O ARG A 23 9.085 -1.352 9.559 1.00 20.13 O ATOM 305 CB ARG A 23 7.776 1.770 10.019 1.00 45.13 C ATOM 306 CG ARG A 23 8.073 2.968 10.906 1.00 31.00 C ATOM 307 CD ARG A 23 7.076 3.074 12.050 1.00 35.10 C ATOM 308 NE ARG A 23 7.733 3.039 13.353 1.00 23.55 N ATOM 309 CZ ARG A 23 8.117 1.917 13.953 1.00 71.34 C ATOM 310 NH1 ARG A 23 7.911 0.745 13.367 1.00 23.43 N ATOM 311 NH2 ARG A 23 8.710 1.965 15.139 1.00 41.15 N ATOM 0 H ARG A 23 9.276 2.751 8.325 1.00 63.42 H new ATOM 0 HA ARG A 23 9.727 0.933 10.356 1.00 73.13 H new ATOM 0 HB2 ARG A 23 7.194 2.101 9.158 1.00 45.13 H new ATOM 0 HB3 ARG A 23 7.155 1.064 10.571 1.00 45.13 H new ATOM 0 HG2 ARG A 23 9.083 2.883 11.308 1.00 31.00 H new ATOM 0 HG3 ARG A 23 8.043 3.880 10.310 1.00 31.00 H new ATOM 0 HD2 ARG A 23 6.511 4.001 11.954 1.00 35.10 H new ATOM 0 HD3 ARG A 23 6.359 2.256 11.983 1.00 35.10 H new ATOM 0 HE ARG A 23 7.907 3.924 13.829 1.00 23.55 H new ATOM 0 HH11 ARG A 23 7.457 0.704 12.454 1.00 23.43 H new ATOM 0 HH12 ARG A 23 8.206 -0.115 13.829 1.00 23.43 H new ATOM 0 HH21 ARG A 23 8.872 2.864 15.592 1.00 41.15 H new ATOM 0 HH22 ARG A 23 9.004 1.103 15.598 1.00 41.15 H new ATOM 325 N ILE A 24 7.873 -0.373 7.936 1.00 51.51 N ATOM 326 CA ILE A 24 7.449 -1.633 7.341 1.00 34.51 C ATOM 327 C ILE A 24 8.643 -2.539 7.064 1.00 60.53 C ATOM 328 O ILE A 24 8.593 -3.743 7.319 1.00 10.23 O ATOM 329 CB ILE A 24 6.676 -1.404 6.028 1.00 11.23 C ATOM 330 CG1 ILE A 24 5.438 -0.541 6.284 1.00 64.21 C ATOM 331 CG2 ILE A 24 6.281 -2.735 5.408 1.00 62.34 C ATOM 332 CD1 ILE A 24 5.187 0.488 5.204 1.00 30.30 C ATOM 0 H ILE A 24 7.514 0.457 7.465 1.00 51.51 H new ATOM 0 HA ILE A 24 6.789 -2.116 8.062 1.00 34.51 H new ATOM 0 HB ILE A 24 7.325 -0.877 5.328 1.00 11.23 H new ATOM 0 HG12 ILE A 24 4.565 -1.188 6.369 1.00 64.21 H new ATOM 0 HG13 ILE A 24 5.551 -0.032 7.241 1.00 64.21 H new ATOM 0 HG21 ILE A 24 5.736 -2.557 4.481 1.00 62.34 H new ATOM 0 HG22 ILE A 24 7.177 -3.318 5.195 1.00 62.34 H new ATOM 0 HG23 ILE A 24 5.646 -3.286 6.102 1.00 62.34 H new ATOM 0 HD11 ILE A 24 4.295 1.064 5.450 1.00 30.30 H new ATOM 0 HD12 ILE A 24 6.043 1.159 5.134 1.00 30.30 H new ATOM 0 HD13 ILE A 24 5.042 -0.016 4.248 1.00 30.30 H new ATOM 344 N GLU A 25 9.715 -1.954 6.541 1.00 12.40 N ATOM 345 CA GLU A 25 10.923 -2.709 6.230 1.00 0.31 C ATOM 346 C GLU A 25 11.505 -3.346 7.488 1.00 61.12 C ATOM 347 O GLU A 25 11.946 -4.495 7.470 1.00 71.44 O ATOM 348 CB GLU A 25 11.965 -1.800 5.575 1.00 30.54 C ATOM 349 CG GLU A 25 11.867 -1.754 4.060 1.00 61.15 C ATOM 350 CD GLU A 25 13.154 -1.289 3.405 1.00 1.34 C ATOM 351 OE1 GLU A 25 14.069 -0.856 4.136 1.00 1.04 O ATOM 352 OE2 GLU A 25 13.245 -1.358 2.162 1.00 24.10 O ATOM 0 H GLU A 25 9.772 -0.959 6.324 1.00 12.40 H new ATOM 0 HA GLU A 25 10.655 -3.503 5.533 1.00 0.31 H new ATOM 0 HB2 GLU A 25 11.852 -0.790 5.969 1.00 30.54 H new ATOM 0 HB3 GLU A 25 12.961 -2.142 5.856 1.00 30.54 H new ATOM 0 HG2 GLU A 25 11.611 -2.745 3.686 1.00 61.15 H new ATOM 0 HG3 GLU A 25 11.055 -1.086 3.772 1.00 61.15 H new ATOM 359 N LYS A 26 11.505 -2.590 8.581 1.00 74.31 N ATOM 360 CA LYS A 26 12.031 -3.079 9.850 1.00 64.24 C ATOM 361 C LYS A 26 11.204 -4.252 10.367 1.00 11.32 C ATOM 362 O LYS A 26 11.728 -5.343 10.588 1.00 25.31 O ATOM 363 CB LYS A 26 12.045 -1.954 10.886 1.00 3.34 C ATOM 364 CG LYS A 26 13.425 -1.364 11.126 1.00 32.30 C ATOM 365 CD LYS A 26 14.334 -2.348 11.843 1.00 44.43 C ATOM 366 CE LYS A 26 15.528 -1.646 12.473 1.00 23.10 C ATOM 367 NZ LYS A 26 15.143 -0.883 13.692 1.00 70.43 N ATOM 0 H LYS A 26 11.146 -1.636 8.613 1.00 74.31 H new ATOM 0 HA LYS A 26 13.051 -3.424 9.683 1.00 64.24 H new ATOM 0 HB2 LYS A 26 11.372 -1.161 10.558 1.00 3.34 H new ATOM 0 HB3 LYS A 26 11.653 -2.335 11.829 1.00 3.34 H new ATOM 0 HG2 LYS A 26 13.872 -1.082 10.173 1.00 32.30 H new ATOM 0 HG3 LYS A 26 13.335 -0.453 11.718 1.00 32.30 H new ATOM 0 HD2 LYS A 26 13.769 -2.871 12.615 1.00 44.43 H new ATOM 0 HD3 LYS A 26 14.684 -3.102 11.138 1.00 44.43 H new ATOM 0 HE2 LYS A 26 16.288 -2.383 12.731 1.00 23.10 H new ATOM 0 HE3 LYS A 26 15.975 -0.968 11.746 1.00 23.10 H new ATOM 0 HZ1 LYS A 26 16.000 -0.576 14.194 1.00 70.43 H new ATOM 0 HZ2 LYS A 26 14.585 -0.049 13.418 1.00 70.43 H new ATOM 0 HZ3 LYS A 26 14.575 -1.490 14.316 1.00 70.43 H new ATOM 381 N TYR A 27 9.911 -4.018 10.557 1.00 71.41 N ATOM 382 CA TYR A 27 9.012 -5.055 11.049 1.00 73.21 C ATOM 383 C TYR A 27 9.136 -6.326 10.213 1.00 11.21 C ATOM 384 O TYR A 27 9.309 -7.420 10.749 1.00 50.35 O ATOM 385 CB TYR A 27 7.565 -4.558 11.028 1.00 4.02 C ATOM 386 CG TYR A 27 6.555 -5.618 11.404 1.00 71.14 C ATOM 387 CD1 TYR A 27 6.049 -6.493 10.449 1.00 52.43 C ATOM 388 CD2 TYR A 27 6.104 -5.745 12.712 1.00 53.33 C ATOM 389 CE1 TYR A 27 5.125 -7.463 10.786 1.00 2.50 C ATOM 390 CE2 TYR A 27 5.181 -6.712 13.058 1.00 25.53 C ATOM 391 CZ TYR A 27 4.695 -7.569 12.092 1.00 0.21 C ATOM 392 OH TYR A 27 3.774 -8.533 12.434 1.00 22.20 O ATOM 0 H TYR A 27 9.462 -3.120 10.378 1.00 71.41 H new ATOM 0 HA TYR A 27 9.295 -5.287 12.076 1.00 73.21 H new ATOM 0 HB2 TYR A 27 7.469 -3.717 11.714 1.00 4.02 H new ATOM 0 HB3 TYR A 27 7.333 -4.184 10.031 1.00 4.02 H new ATOM 0 HD1 TYR A 27 6.384 -6.413 9.426 1.00 52.43 H new ATOM 0 HD2 TYR A 27 6.482 -5.076 13.471 1.00 53.33 H new ATOM 0 HE1 TYR A 27 4.742 -8.134 10.032 1.00 2.50 H new ATOM 0 HE2 TYR A 27 4.841 -6.797 14.080 1.00 25.53 H new ATOM 0 HH TYR A 27 3.579 -8.473 13.392 1.00 22.20 H new ATOM 402 N ALA A 28 9.046 -6.171 8.896 1.00 61.42 N ATOM 403 CA ALA A 28 9.150 -7.303 7.985 1.00 24.41 C ATOM 404 C ALA A 28 10.521 -7.965 8.086 1.00 44.20 C ATOM 405 O ALA A 28 10.628 -9.189 8.162 1.00 75.22 O ATOM 406 CB ALA A 28 8.883 -6.858 6.555 1.00 15.43 C ATOM 0 H ALA A 28 8.901 -5.272 8.437 1.00 61.42 H new ATOM 0 HA ALA A 28 8.397 -8.037 8.272 1.00 24.41 H new ATOM 0 HB1 ALA A 28 8.964 -7.715 5.886 1.00 15.43 H new ATOM 0 HB2 ALA A 28 7.880 -6.438 6.486 1.00 15.43 H new ATOM 0 HB3 ALA A 28 9.613 -6.102 6.267 1.00 15.43 H new ATOM 412 N LYS A 29 11.568 -7.147 8.088 1.00 63.13 N ATOM 413 CA LYS A 29 12.933 -7.652 8.180 1.00 40.15 C ATOM 414 C LYS A 29 13.121 -8.485 9.444 1.00 13.30 C ATOM 415 O LYS A 29 13.893 -9.444 9.458 1.00 1.43 O ATOM 416 CB LYS A 29 13.930 -6.491 8.169 1.00 72.40 C ATOM 417 CG LYS A 29 15.380 -6.933 8.260 1.00 70.23 C ATOM 418 CD LYS A 29 16.246 -6.219 7.235 1.00 13.50 C ATOM 419 CE LYS A 29 17.421 -7.081 6.800 1.00 24.32 C ATOM 420 NZ LYS A 29 18.151 -6.484 5.647 1.00 13.04 N ATOM 0 H LYS A 29 11.497 -6.131 8.027 1.00 63.13 H new ATOM 0 HA LYS A 29 13.117 -8.289 7.315 1.00 40.15 H new ATOM 0 HB2 LYS A 29 13.792 -5.913 7.255 1.00 72.40 H new ATOM 0 HB3 LYS A 29 13.709 -5.825 9.003 1.00 72.40 H new ATOM 0 HG2 LYS A 29 15.760 -6.733 9.262 1.00 70.23 H new ATOM 0 HG3 LYS A 29 15.444 -8.010 8.104 1.00 70.23 H new ATOM 0 HD2 LYS A 29 15.643 -5.959 6.365 1.00 13.50 H new ATOM 0 HD3 LYS A 29 16.616 -5.285 7.657 1.00 13.50 H new ATOM 0 HE2 LYS A 29 18.107 -7.209 7.637 1.00 24.32 H new ATOM 0 HE3 LYS A 29 17.062 -8.074 6.528 1.00 24.32 H new ATOM 0 HZ1 LYS A 29 18.944 -7.102 5.381 1.00 13.04 H new ATOM 0 HZ2 LYS A 29 17.503 -6.385 4.839 1.00 13.04 H new ATOM 0 HZ3 LYS A 29 18.516 -5.548 5.914 1.00 13.04 H new ATOM 434 N SER A 30 12.408 -8.114 10.503 1.00 45.22 N ATOM 435 CA SER A 30 12.499 -8.825 11.772 1.00 31.34 C ATOM 436 C SER A 30 11.681 -10.114 11.733 1.00 44.53 C ATOM 437 O SER A 30 12.122 -11.157 12.213 1.00 73.24 O ATOM 438 CB SER A 30 12.013 -7.934 12.916 1.00 13.13 C ATOM 439 OG SER A 30 13.057 -7.107 13.399 1.00 15.20 O ATOM 0 H SER A 30 11.761 -7.325 10.507 1.00 45.22 H new ATOM 0 HA SER A 30 13.544 -9.083 11.941 1.00 31.34 H new ATOM 0 HB2 SER A 30 11.185 -7.315 12.572 1.00 13.13 H new ATOM 0 HB3 SER A 30 11.632 -8.554 13.727 1.00 13.13 H new ATOM 0 HG SER A 30 12.719 -6.546 14.128 1.00 15.20 H new ATOM 445 N LYS A 31 10.487 -10.031 11.156 1.00 51.42 N ATOM 446 CA LYS A 31 9.606 -11.187 11.050 1.00 22.24 C ATOM 447 C LYS A 31 10.124 -12.172 10.006 1.00 54.20 C ATOM 448 O LYS A 31 9.712 -13.331 9.975 1.00 52.13 O ATOM 449 CB LYS A 31 8.187 -10.742 10.688 1.00 20.42 C ATOM 450 CG LYS A 31 7.461 -10.042 11.824 1.00 63.12 C ATOM 451 CD LYS A 31 7.031 -11.024 12.901 1.00 42.14 C ATOM 452 CE LYS A 31 6.188 -10.345 13.969 1.00 32.23 C ATOM 453 NZ LYS A 31 4.845 -10.975 14.100 1.00 4.41 N ATOM 0 H LYS A 31 10.107 -9.174 10.754 1.00 51.42 H new ATOM 0 HA LYS A 31 9.587 -11.688 12.018 1.00 22.24 H new ATOM 0 HB2 LYS A 31 8.233 -10.072 9.830 1.00 20.42 H new ATOM 0 HB3 LYS A 31 7.609 -11.614 10.381 1.00 20.42 H new ATOM 0 HG2 LYS A 31 8.112 -9.284 12.260 1.00 63.12 H new ATOM 0 HG3 LYS A 31 6.586 -9.524 11.433 1.00 63.12 H new ATOM 0 HD2 LYS A 31 6.462 -11.836 12.448 1.00 42.14 H new ATOM 0 HD3 LYS A 31 7.913 -11.470 13.361 1.00 42.14 H new ATOM 0 HE2 LYS A 31 6.707 -10.394 14.926 1.00 32.23 H new ATOM 0 HE3 LYS A 31 6.071 -9.290 13.723 1.00 32.23 H new ATOM 0 HZ1 LYS A 31 4.540 -10.938 15.093 1.00 4.41 H new ATOM 0 HZ2 LYS A 31 4.161 -10.461 13.508 1.00 4.41 H new ATOM 0 HZ3 LYS A 31 4.895 -11.966 13.790 1.00 4.41 H new ATOM 467 N ASN A 32 11.029 -11.703 9.155 1.00 5.10 N ATOM 468 CA ASN A 32 11.604 -12.542 8.110 1.00 61.22 C ATOM 469 C ASN A 32 10.535 -12.977 7.112 1.00 35.50 C ATOM 470 O ASN A 32 10.371 -14.168 6.841 1.00 1.43 O ATOM 471 CB ASN A 32 12.273 -13.773 8.726 1.00 15.21 C ATOM 472 CG ASN A 32 13.389 -14.320 7.857 1.00 41.31 C ATOM 473 OD1 ASN A 32 14.366 -13.627 7.573 1.00 51.54 O ATOM 474 ND2 ASN A 32 13.248 -15.570 7.430 1.00 3.44 N ATOM 0 H ASN A 32 11.381 -10.746 9.168 1.00 5.10 H new ATOM 0 HA ASN A 32 12.354 -11.956 7.580 1.00 61.22 H new ATOM 0 HB2 ASN A 32 12.673 -13.513 9.706 1.00 15.21 H new ATOM 0 HB3 ASN A 32 11.524 -14.550 8.883 1.00 15.21 H new ATOM 0 HD21 ASN A 32 13.967 -15.992 6.842 1.00 3.44 H new ATOM 0 HD22 ASN A 32 12.421 -16.108 7.690 1.00 3.44 H new ATOM 481 N ILE A 33 9.809 -12.006 6.569 1.00 53.22 N ATOM 482 CA ILE A 33 8.757 -12.287 5.601 1.00 73.51 C ATOM 483 C ILE A 33 9.179 -11.875 4.195 1.00 52.24 C ATOM 484 O ILE A 33 9.763 -10.810 3.999 1.00 63.31 O ATOM 485 CB ILE A 33 7.447 -11.564 5.965 1.00 3.11 C ATOM 486 CG1 ILE A 33 6.961 -12.008 7.346 1.00 70.31 C ATOM 487 CG2 ILE A 33 6.384 -11.830 4.911 1.00 32.43 C ATOM 488 CD1 ILE A 33 6.277 -10.910 8.128 1.00 34.12 C ATOM 0 H ILE A 33 9.931 -11.016 6.784 1.00 53.22 H new ATOM 0 HA ILE A 33 8.586 -13.363 5.626 1.00 73.51 H new ATOM 0 HB ILE A 33 7.638 -10.491 5.996 1.00 3.11 H new ATOM 0 HG12 ILE A 33 6.270 -12.843 7.228 1.00 70.31 H new ATOM 0 HG13 ILE A 33 7.811 -12.376 7.920 1.00 70.31 H new ATOM 0 HG21 ILE A 33 5.464 -11.312 5.183 1.00 32.43 H new ATOM 0 HG22 ILE A 33 6.732 -11.468 3.944 1.00 32.43 H new ATOM 0 HG23 ILE A 33 6.193 -12.901 4.850 1.00 32.43 H new ATOM 0 HD11 ILE A 33 5.959 -11.297 9.096 1.00 34.12 H new ATOM 0 HD12 ILE A 33 6.971 -10.083 8.278 1.00 34.12 H new ATOM 0 HD13 ILE A 33 5.407 -10.557 7.575 1.00 34.12 H new ATOM 500 N ASN A 34 8.877 -12.724 3.219 1.00 72.34 N ATOM 501 CA ASN A 34 9.224 -12.447 1.829 1.00 74.31 C ATOM 502 C ASN A 34 8.247 -11.449 1.214 1.00 44.40 C ATOM 503 O ASN A 34 7.305 -11.832 0.523 1.00 75.34 O ATOM 504 CB ASN A 34 9.227 -13.742 1.015 1.00 74.33 C ATOM 505 CG ASN A 34 10.099 -14.815 1.637 1.00 50.33 C ATOM 506 OD1 ASN A 34 10.867 -14.547 2.561 1.00 3.12 O ATOM 507 ND2 ASN A 34 9.984 -16.038 1.132 1.00 44.23 N ATOM 0 H ASN A 34 8.393 -13.610 3.364 1.00 72.34 H new ATOM 0 HA ASN A 34 10.223 -12.011 1.809 1.00 74.31 H new ATOM 0 HB2 ASN A 34 8.206 -14.114 0.926 1.00 74.33 H new ATOM 0 HB3 ASN A 34 9.579 -13.532 0.005 1.00 74.33 H new ATOM 0 HD21 ASN A 34 10.545 -16.801 1.510 1.00 44.23 H new ATOM 0 HD22 ASN A 34 9.334 -16.214 0.366 1.00 44.23 H new ATOM 514 N ALA A 35 8.483 -10.166 1.470 1.00 14.05 N ATOM 515 CA ALA A 35 7.627 -9.112 0.941 1.00 60.14 C ATOM 516 C ALA A 35 8.404 -7.812 0.760 1.00 60.23 C ATOM 517 O ALA A 35 9.509 -7.660 1.280 1.00 25.12 O ATOM 518 CB ALA A 35 6.432 -8.892 1.856 1.00 50.32 C ATOM 0 H ALA A 35 9.260 -9.832 2.040 1.00 14.05 H new ATOM 0 HA ALA A 35 7.267 -9.429 -0.038 1.00 60.14 H new ATOM 0 HB1 ALA A 35 5.802 -8.102 1.448 1.00 50.32 H new ATOM 0 HB2 ALA A 35 5.856 -9.814 1.930 1.00 50.32 H new ATOM 0 HB3 ALA A 35 6.781 -8.602 2.847 1.00 50.32 H new ATOM 524 N THR A 36 7.819 -6.876 0.018 1.00 23.41 N ATOM 525 CA THR A 36 8.458 -5.591 -0.233 1.00 14.15 C ATOM 526 C THR A 36 7.422 -4.481 -0.378 1.00 23.24 C ATOM 527 O THR A 36 6.296 -4.724 -0.814 1.00 63.23 O ATOM 528 CB THR A 36 9.328 -5.634 -1.503 1.00 64.22 C ATOM 529 OG1 THR A 36 10.002 -4.382 -1.678 1.00 32.21 O ATOM 530 CG2 THR A 36 8.481 -5.936 -2.730 1.00 13.50 C ATOM 0 H THR A 36 6.904 -6.985 -0.419 1.00 23.41 H new ATOM 0 HA THR A 36 9.094 -5.381 0.627 1.00 14.15 H new ATOM 0 HB THR A 36 10.064 -6.429 -1.385 1.00 64.22 H new ATOM 0 HG1 THR A 36 10.554 -4.418 -2.487 1.00 32.21 H new ATOM 0 HG21 THR A 36 9.118 -5.961 -3.614 1.00 13.50 H new ATOM 0 HG22 THR A 36 7.993 -6.903 -2.606 1.00 13.50 H new ATOM 0 HG23 THR A 36 7.724 -5.161 -2.850 1.00 13.50 H new ATOM 538 N ILE A 37 7.810 -3.265 -0.011 1.00 1.33 N ATOM 539 CA ILE A 37 6.915 -2.119 -0.102 1.00 10.31 C ATOM 540 C ILE A 37 7.662 -0.873 -0.564 1.00 42.52 C ATOM 541 O ILE A 37 8.845 -0.702 -0.271 1.00 25.35 O ATOM 542 CB ILE A 37 6.236 -1.824 1.249 1.00 24.40 C ATOM 543 CG1 ILE A 37 5.143 -0.769 1.076 1.00 33.12 C ATOM 544 CG2 ILE A 37 7.266 -1.366 2.271 1.00 64.24 C ATOM 545 CD1 ILE A 37 4.169 -0.714 2.233 1.00 53.44 C ATOM 0 H ILE A 37 8.738 -3.048 0.352 1.00 1.33 H new ATOM 0 HA ILE A 37 6.150 -2.375 -0.835 1.00 10.31 H new ATOM 0 HB ILE A 37 5.774 -2.741 1.614 1.00 24.40 H new ATOM 0 HG12 ILE A 37 5.609 0.209 0.957 1.00 33.12 H new ATOM 0 HG13 ILE A 37 4.593 -0.974 0.158 1.00 33.12 H new ATOM 0 HG21 ILE A 37 6.771 -1.161 3.220 1.00 64.24 H new ATOM 0 HG22 ILE A 37 8.012 -2.149 2.412 1.00 64.24 H new ATOM 0 HG23 ILE A 37 7.755 -0.459 1.914 1.00 64.24 H new ATOM 0 HD11 ILE A 37 3.421 0.056 2.043 1.00 53.44 H new ATOM 0 HD12 ILE A 37 3.676 -1.680 2.340 1.00 53.44 H new ATOM 0 HD13 ILE A 37 4.707 -0.478 3.151 1.00 53.44 H new ATOM 557 N GLU A 38 6.963 -0.003 -1.287 1.00 45.12 N ATOM 558 CA GLU A 38 7.562 1.229 -1.788 1.00 65.05 C ATOM 559 C GLU A 38 6.491 2.277 -2.075 1.00 33.14 C ATOM 560 O GLU A 38 5.319 1.948 -2.256 1.00 14.35 O ATOM 561 CB GLU A 38 8.370 0.949 -3.057 1.00 60.12 C ATOM 562 CG GLU A 38 9.256 2.108 -3.482 1.00 62.31 C ATOM 563 CD GLU A 38 10.540 1.648 -4.144 1.00 64.15 C ATOM 564 OE1 GLU A 38 10.481 0.713 -4.970 1.00 53.44 O ATOM 565 OE2 GLU A 38 11.604 2.224 -3.836 1.00 43.24 O ATOM 0 H GLU A 38 5.983 -0.128 -1.539 1.00 45.12 H new ATOM 0 HA GLU A 38 8.229 1.618 -1.019 1.00 65.05 H new ATOM 0 HB2 GLU A 38 8.991 0.068 -2.895 1.00 60.12 H new ATOM 0 HB3 GLU A 38 7.684 0.710 -3.869 1.00 60.12 H new ATOM 0 HG2 GLU A 38 8.705 2.748 -4.171 1.00 62.31 H new ATOM 0 HG3 GLU A 38 9.499 2.714 -2.609 1.00 62.31 H new ATOM 572 N ALA A 39 6.903 3.540 -2.112 1.00 52.13 N ATOM 573 CA ALA A 39 5.980 4.637 -2.378 1.00 55.11 C ATOM 574 C ALA A 39 6.349 5.366 -3.666 1.00 22.24 C ATOM 575 O ALA A 39 7.527 5.516 -3.989 1.00 20.52 O ATOM 576 CB ALA A 39 5.963 5.607 -1.206 1.00 30.15 C ATOM 0 H ALA A 39 7.870 3.829 -1.961 1.00 52.13 H new ATOM 0 HA ALA A 39 4.982 4.217 -2.503 1.00 55.11 H new ATOM 0 HB1 ALA A 39 5.270 6.421 -1.418 1.00 30.15 H new ATOM 0 HB2 ALA A 39 5.643 5.083 -0.305 1.00 30.15 H new ATOM 0 HB3 ALA A 39 6.963 6.012 -1.055 1.00 30.15 H new ATOM 582 N ILE A 40 5.335 5.816 -4.396 1.00 32.31 N ATOM 583 CA ILE A 40 5.553 6.529 -5.648 1.00 43.32 C ATOM 584 C ILE A 40 4.442 7.540 -5.907 1.00 11.14 C ATOM 585 O ILE A 40 3.481 7.630 -5.143 1.00 71.01 O ATOM 586 CB ILE A 40 5.638 5.559 -6.842 1.00 74.22 C ATOM 587 CG1 ILE A 40 4.683 4.380 -6.637 1.00 10.14 C ATOM 588 CG2 ILE A 40 7.065 5.066 -7.025 1.00 11.34 C ATOM 589 CD1 ILE A 40 3.238 4.795 -6.472 1.00 52.14 C ATOM 0 H ILE A 40 4.354 5.700 -4.142 1.00 32.31 H new ATOM 0 HA ILE A 40 6.503 7.055 -5.549 1.00 43.32 H new ATOM 0 HB ILE A 40 5.341 6.091 -7.746 1.00 74.22 H new ATOM 0 HG12 ILE A 40 4.764 3.705 -7.489 1.00 10.14 H new ATOM 0 HG13 ILE A 40 4.995 3.819 -5.756 1.00 10.14 H new ATOM 0 HG21 ILE A 40 7.108 4.382 -7.872 1.00 11.34 H new ATOM 0 HG22 ILE A 40 7.722 5.915 -7.211 1.00 11.34 H new ATOM 0 HG23 ILE A 40 7.389 4.547 -6.123 1.00 11.34 H new ATOM 0 HD11 ILE A 40 2.619 3.909 -6.331 1.00 52.14 H new ATOM 0 HD12 ILE A 40 3.143 5.446 -5.603 1.00 52.14 H new ATOM 0 HD13 ILE A 40 2.909 5.330 -7.363 1.00 52.14 H new ATOM 601 N ALA A 41 4.580 8.299 -6.988 1.00 54.45 N ATOM 602 CA ALA A 41 3.585 9.301 -7.351 1.00 33.01 C ATOM 603 C ALA A 41 2.358 8.654 -7.984 1.00 34.11 C ATOM 604 O ALA A 41 2.364 7.463 -8.291 1.00 74.13 O ATOM 605 CB ALA A 41 4.190 10.328 -8.296 1.00 41.55 C ATOM 0 H ALA A 41 5.372 8.240 -7.629 1.00 54.45 H new ATOM 0 HA ALA A 41 3.266 9.806 -6.439 1.00 33.01 H new ATOM 0 HB1 ALA A 41 3.436 11.070 -8.558 1.00 41.55 H new ATOM 0 HB2 ALA A 41 5.030 10.822 -7.807 1.00 41.55 H new ATOM 0 HB3 ALA A 41 4.539 9.829 -9.200 1.00 41.55 H new ATOM 611 N GLU A 42 1.309 9.448 -8.176 1.00 30.53 N ATOM 612 CA GLU A 42 0.075 8.949 -8.772 1.00 75.21 C ATOM 613 C GLU A 42 0.277 8.617 -10.248 1.00 22.13 C ATOM 614 O GLU A 42 -0.246 7.623 -10.750 1.00 62.40 O ATOM 615 CB GLU A 42 -1.045 9.981 -8.619 1.00 11.40 C ATOM 616 CG GLU A 42 -0.722 11.326 -9.249 1.00 32.11 C ATOM 617 CD GLU A 42 -1.250 12.493 -8.436 1.00 73.14 C ATOM 618 OE1 GLU A 42 -2.412 12.894 -8.662 1.00 42.33 O ATOM 619 OE2 GLU A 42 -0.505 13.004 -7.575 1.00 22.51 O ATOM 0 H GLU A 42 1.289 10.437 -7.928 1.00 30.53 H new ATOM 0 HA GLU A 42 -0.207 8.036 -8.248 1.00 75.21 H new ATOM 0 HB2 GLU A 42 -1.955 9.587 -9.071 1.00 11.40 H new ATOM 0 HB3 GLU A 42 -1.252 10.126 -7.559 1.00 11.40 H new ATOM 0 HG2 GLU A 42 0.358 11.422 -9.357 1.00 32.11 H new ATOM 0 HG3 GLU A 42 -1.147 11.365 -10.252 1.00 32.11 H new ATOM 626 N THR A 43 1.042 9.458 -10.938 1.00 31.15 N ATOM 627 CA THR A 43 1.314 9.257 -12.355 1.00 42.21 C ATOM 628 C THR A 43 2.151 8.003 -12.581 1.00 31.11 C ATOM 629 O THR A 43 2.111 7.405 -13.656 1.00 73.12 O ATOM 630 CB THR A 43 2.047 10.467 -12.964 1.00 11.33 C ATOM 631 OG1 THR A 43 2.184 10.296 -14.379 1.00 74.41 O ATOM 632 CG2 THR A 43 3.420 10.641 -12.334 1.00 31.12 C ATOM 0 H THR A 43 1.484 10.285 -10.537 1.00 31.15 H new ATOM 0 HA THR A 43 0.349 9.141 -12.849 1.00 42.21 H new ATOM 0 HB THR A 43 1.456 11.361 -12.762 1.00 11.33 H new ATOM 0 HG1 THR A 43 2.650 11.070 -14.759 1.00 74.41 H new ATOM 0 HG21 THR A 43 3.919 11.502 -12.780 1.00 31.12 H new ATOM 0 HG22 THR A 43 3.311 10.801 -11.261 1.00 31.12 H new ATOM 0 HG23 THR A 43 4.016 9.746 -12.508 1.00 31.12 H new ATOM 640 N ARG A 44 2.909 7.611 -11.562 1.00 72.51 N ATOM 641 CA ARG A 44 3.756 6.428 -11.650 1.00 55.12 C ATOM 642 C ARG A 44 3.033 5.199 -11.108 1.00 33.12 C ATOM 643 O ARG A 44 3.386 4.064 -11.431 1.00 0.14 O ATOM 644 CB ARG A 44 5.058 6.648 -10.880 1.00 4.44 C ATOM 645 CG ARG A 44 5.775 7.937 -11.249 1.00 52.24 C ATOM 646 CD ARG A 44 6.917 8.235 -10.291 1.00 11.02 C ATOM 647 NE ARG A 44 7.890 9.158 -10.868 1.00 21.21 N ATOM 648 CZ ARG A 44 9.034 9.484 -10.277 1.00 51.50 C ATOM 649 NH1 ARG A 44 9.346 8.965 -9.097 1.00 42.51 N ATOM 650 NH2 ARG A 44 9.868 10.332 -10.866 1.00 21.42 N ATOM 0 H ARG A 44 2.954 8.096 -10.666 1.00 72.51 H new ATOM 0 HA ARG A 44 3.988 6.257 -12.701 1.00 55.12 H new ATOM 0 HB2 ARG A 44 4.841 6.656 -9.812 1.00 4.44 H new ATOM 0 HB3 ARG A 44 5.725 5.806 -11.064 1.00 4.44 H new ATOM 0 HG2 ARG A 44 6.162 7.861 -12.265 1.00 52.24 H new ATOM 0 HG3 ARG A 44 5.066 8.764 -11.239 1.00 52.24 H new ATOM 0 HD2 ARG A 44 6.516 8.660 -9.371 1.00 11.02 H new ATOM 0 HD3 ARG A 44 7.416 7.304 -10.022 1.00 11.02 H new ATOM 0 HE ARG A 44 7.680 9.575 -11.775 1.00 21.21 H new ATOM 0 HH11 ARG A 44 8.707 8.314 -8.641 1.00 42.51 H new ATOM 0 HH12 ARG A 44 10.225 9.217 -8.645 1.00 42.51 H new ATOM 0 HH21 ARG A 44 9.631 10.734 -11.773 1.00 21.42 H new ATOM 0 HH22 ARG A 44 10.746 10.582 -10.412 1.00 21.42 H new ATOM 664 N LEU A 45 2.019 5.432 -10.281 1.00 45.23 N ATOM 665 CA LEU A 45 1.246 4.344 -9.692 1.00 54.53 C ATOM 666 C LEU A 45 0.761 3.378 -10.767 1.00 74.15 C ATOM 667 O LEU A 45 1.013 2.175 -10.694 1.00 74.12 O ATOM 668 CB LEU A 45 0.051 4.903 -8.916 1.00 45.12 C ATOM 669 CG LEU A 45 -1.050 3.902 -8.569 1.00 54.40 C ATOM 670 CD1 LEU A 45 -1.653 4.222 -7.210 1.00 2.32 C ATOM 671 CD2 LEU A 45 -2.127 3.900 -9.644 1.00 52.22 C ATOM 0 H LEU A 45 1.713 6.365 -10.003 1.00 45.23 H new ATOM 0 HA LEU A 45 1.895 3.800 -9.006 1.00 54.53 H new ATOM 0 HB2 LEU A 45 0.419 5.344 -7.990 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -0.390 5.711 -9.500 1.00 45.12 H new ATOM 0 HG LEU A 45 -0.608 2.907 -8.523 1.00 54.40 H new ATOM 0 HD11 LEU A 45 -2.435 3.499 -6.980 1.00 2.32 H new ATOM 0 HD12 LEU A 45 -0.877 4.172 -6.447 1.00 2.32 H new ATOM 0 HD13 LEU A 45 -2.080 5.225 -7.228 1.00 2.32 H new ATOM 0 HD21 LEU A 45 -2.903 3.181 -9.380 1.00 52.22 H new ATOM 0 HD22 LEU A 45 -2.565 4.895 -9.722 1.00 52.22 H new ATOM 0 HD23 LEU A 45 -1.685 3.622 -10.601 1.00 52.22 H new ATOM 683 N SER A 46 0.064 3.912 -11.767 1.00 23.13 N ATOM 684 CA SER A 46 -0.457 3.095 -12.856 1.00 51.51 C ATOM 685 C SER A 46 0.675 2.574 -13.735 1.00 62.31 C ATOM 686 O SER A 46 0.471 1.699 -14.575 1.00 35.12 O ATOM 687 CB SER A 46 -1.442 3.906 -13.702 1.00 51.31 C ATOM 688 OG SER A 46 -1.419 3.485 -15.055 1.00 4.33 O ATOM 0 H SER A 46 -0.152 4.906 -11.844 1.00 23.13 H new ATOM 0 HA SER A 46 -0.977 2.242 -12.421 1.00 51.51 H new ATOM 0 HB2 SER A 46 -2.449 3.794 -13.300 1.00 51.31 H new ATOM 0 HB3 SER A 46 -1.191 4.965 -13.643 1.00 51.31 H new ATOM 0 HG SER A 46 -0.984 2.609 -15.118 1.00 4.33 H new ATOM 694 N GLU A 47 1.871 3.119 -13.533 1.00 24.40 N ATOM 695 CA GLU A 47 3.037 2.709 -14.308 1.00 24.12 C ATOM 696 C GLU A 47 3.855 1.667 -13.549 1.00 73.13 C ATOM 697 O GLU A 47 4.784 1.073 -14.097 1.00 50.12 O ATOM 698 CB GLU A 47 3.912 3.921 -14.635 1.00 11.21 C ATOM 699 CG GLU A 47 4.009 4.218 -16.122 1.00 14.31 C ATOM 700 CD GLU A 47 5.114 5.204 -16.449 1.00 71.11 C ATOM 701 OE1 GLU A 47 4.864 6.424 -16.365 1.00 4.05 O ATOM 702 OE2 GLU A 47 6.229 4.754 -16.788 1.00 75.41 O ATOM 0 H GLU A 47 2.058 3.844 -12.841 1.00 24.40 H new ATOM 0 HA GLU A 47 2.685 2.263 -15.238 1.00 24.12 H new ATOM 0 HB2 GLU A 47 3.511 4.796 -14.124 1.00 11.21 H new ATOM 0 HB3 GLU A 47 4.914 3.752 -14.241 1.00 11.21 H new ATOM 0 HG2 GLU A 47 4.184 3.289 -16.664 1.00 14.31 H new ATOM 0 HG3 GLU A 47 3.057 4.616 -16.472 1.00 14.31 H new ATOM 709 N VAL A 48 3.503 1.452 -12.286 1.00 61.13 N ATOM 710 CA VAL A 48 4.203 0.482 -11.452 1.00 44.31 C ATOM 711 C VAL A 48 3.284 -0.668 -11.057 1.00 63.11 C ATOM 712 O VAL A 48 3.745 -1.771 -10.762 1.00 15.33 O ATOM 713 CB VAL A 48 4.762 1.140 -10.176 1.00 2.34 C ATOM 714 CG1 VAL A 48 5.723 2.264 -10.532 1.00 10.41 C ATOM 715 CG2 VAL A 48 3.629 1.653 -9.301 1.00 41.53 C ATOM 0 H VAL A 48 2.737 1.936 -11.817 1.00 61.13 H new ATOM 0 HA VAL A 48 5.031 0.094 -12.045 1.00 44.31 H new ATOM 0 HB VAL A 48 5.314 0.388 -9.612 1.00 2.34 H new ATOM 0 HG11 VAL A 48 6.108 2.717 -9.618 1.00 10.41 H new ATOM 0 HG12 VAL A 48 6.552 1.863 -11.115 1.00 10.41 H new ATOM 0 HG13 VAL A 48 5.199 3.019 -11.118 1.00 10.41 H new ATOM 0 HG21 VAL A 48 4.042 2.115 -8.404 1.00 41.53 H new ATOM 0 HG22 VAL A 48 3.048 2.391 -9.854 1.00 41.53 H new ATOM 0 HG23 VAL A 48 2.984 0.822 -9.017 1.00 41.53 H new ATOM 725 N VAL A 49 1.982 -0.403 -11.054 1.00 21.05 N ATOM 726 CA VAL A 49 0.996 -1.417 -10.696 1.00 2.53 C ATOM 727 C VAL A 49 1.209 -2.697 -11.497 1.00 40.54 C ATOM 728 O VAL A 49 0.909 -3.793 -11.025 1.00 24.41 O ATOM 729 CB VAL A 49 -0.439 -0.910 -10.930 1.00 32.41 C ATOM 730 CG1 VAL A 49 -0.829 0.102 -9.864 1.00 40.21 C ATOM 731 CG2 VAL A 49 -0.572 -0.310 -12.321 1.00 74.43 C ATOM 0 H VAL A 49 1.585 0.505 -11.295 1.00 21.05 H new ATOM 0 HA VAL A 49 1.130 -1.630 -9.635 1.00 2.53 H new ATOM 0 HB VAL A 49 -1.121 -1.757 -10.858 1.00 32.41 H new ATOM 0 HG11 VAL A 49 -1.846 0.449 -10.046 1.00 40.21 H new ATOM 0 HG12 VAL A 49 -0.776 -0.366 -8.881 1.00 40.21 H new ATOM 0 HG13 VAL A 49 -0.145 0.950 -9.900 1.00 40.21 H new ATOM 0 HG21 VAL A 49 -1.593 0.043 -12.469 1.00 74.43 H new ATOM 0 HG22 VAL A 49 0.120 0.526 -12.424 1.00 74.43 H new ATOM 0 HG23 VAL A 49 -0.339 -1.068 -13.068 1.00 74.43 H new ATOM 741 N ASP A 50 1.729 -2.548 -12.711 1.00 31.12 N ATOM 742 CA ASP A 50 1.983 -3.693 -13.578 1.00 4.01 C ATOM 743 C ASP A 50 2.850 -4.729 -12.869 1.00 3.24 C ATOM 744 O ASP A 50 2.781 -5.921 -13.170 1.00 14.11 O ATOM 745 CB ASP A 50 2.664 -3.239 -14.870 1.00 52.21 C ATOM 746 CG ASP A 50 2.220 -4.048 -16.073 1.00 42.10 C ATOM 747 OD1 ASP A 50 2.845 -5.094 -16.347 1.00 31.11 O ATOM 748 OD2 ASP A 50 1.249 -3.635 -16.741 1.00 64.32 O ATOM 0 H ASP A 50 1.982 -1.647 -13.116 1.00 31.12 H new ATOM 0 HA ASP A 50 1.025 -4.153 -13.823 1.00 4.01 H new ATOM 0 HB2 ASP A 50 2.444 -2.186 -15.043 1.00 52.21 H new ATOM 0 HB3 ASP A 50 3.745 -3.324 -14.757 1.00 52.21 H new ATOM 753 N ARG A 51 3.667 -4.266 -11.928 1.00 20.30 N ATOM 754 CA ARG A 51 4.548 -5.152 -11.178 1.00 25.31 C ATOM 755 C ARG A 51 4.036 -5.355 -9.756 1.00 35.15 C ATOM 756 O ARG A 51 4.015 -6.476 -9.246 1.00 1.43 O ATOM 757 CB ARG A 51 5.969 -4.584 -11.143 1.00 41.05 C ATOM 758 CG ARG A 51 6.580 -4.389 -12.520 1.00 44.55 C ATOM 759 CD ARG A 51 6.944 -5.719 -13.163 1.00 11.23 C ATOM 760 NE ARG A 51 8.075 -5.594 -14.077 1.00 22.34 N ATOM 761 CZ ARG A 51 7.986 -5.054 -15.287 1.00 41.25 C ATOM 762 NH1 ARG A 51 6.824 -4.589 -15.725 1.00 60.13 N ATOM 763 NH2 ARG A 51 9.061 -4.976 -16.061 1.00 1.11 N ATOM 0 H ARG A 51 3.737 -3.282 -11.667 1.00 20.30 H new ATOM 0 HA ARG A 51 4.562 -6.119 -11.682 1.00 25.31 H new ATOM 0 HB2 ARG A 51 5.956 -3.627 -10.622 1.00 41.05 H new ATOM 0 HB3 ARG A 51 6.605 -5.254 -10.564 1.00 41.05 H new ATOM 0 HG2 ARG A 51 5.876 -3.855 -13.159 1.00 44.55 H new ATOM 0 HG3 ARG A 51 7.471 -3.767 -12.439 1.00 44.55 H new ATOM 0 HD2 ARG A 51 7.185 -6.444 -12.385 1.00 11.23 H new ATOM 0 HD3 ARG A 51 6.082 -6.108 -13.705 1.00 11.23 H new ATOM 0 HE ARG A 51 8.984 -5.940 -13.769 1.00 22.34 H new ATOM 0 HH11 ARG A 51 5.996 -4.646 -15.132 1.00 60.13 H new ATOM 0 HH12 ARG A 51 6.758 -4.175 -16.655 1.00 60.13 H new ATOM 0 HH21 ARG A 51 9.957 -5.331 -15.727 1.00 1.11 H new ATOM 0 HH22 ARG A 51 8.991 -4.561 -16.990 1.00 1.11 H new ATOM 777 N PHE A 52 3.621 -4.263 -9.121 1.00 74.10 N ATOM 778 CA PHE A 52 3.108 -4.321 -7.757 1.00 44.33 C ATOM 779 C PHE A 52 1.913 -5.264 -7.664 1.00 21.35 C ATOM 780 O PHE A 52 1.512 -5.875 -8.655 1.00 32.31 O ATOM 781 CB PHE A 52 2.707 -2.923 -7.282 1.00 2.55 C ATOM 782 CG PHE A 52 3.865 -2.102 -6.789 1.00 52.25 C ATOM 783 CD1 PHE A 52 4.474 -2.393 -5.579 1.00 54.24 C ATOM 784 CD2 PHE A 52 4.344 -1.038 -7.537 1.00 53.20 C ATOM 785 CE1 PHE A 52 5.539 -1.640 -5.124 1.00 2.30 C ATOM 786 CE2 PHE A 52 5.409 -0.282 -7.087 1.00 2.50 C ATOM 787 CZ PHE A 52 6.007 -0.581 -5.878 1.00 71.55 C ATOM 0 H PHE A 52 3.630 -3.328 -9.529 1.00 74.10 H new ATOM 0 HA PHE A 52 3.900 -4.704 -7.113 1.00 44.33 H new ATOM 0 HB2 PHE A 52 2.221 -2.395 -8.102 1.00 2.55 H new ATOM 0 HB3 PHE A 52 1.972 -3.017 -6.483 1.00 2.55 H new ATOM 0 HD1 PHE A 52 4.112 -3.219 -4.984 1.00 54.24 H new ATOM 0 HD2 PHE A 52 3.880 -0.797 -8.482 1.00 53.20 H new ATOM 0 HE1 PHE A 52 6.005 -1.879 -4.180 1.00 2.30 H new ATOM 0 HE2 PHE A 52 5.774 0.543 -7.680 1.00 2.50 H new ATOM 0 HZ PHE A 52 6.838 0.011 -5.523 1.00 71.55 H new ATOM 797 N ASP A 53 1.349 -5.378 -6.467 1.00 32.34 N ATOM 798 CA ASP A 53 0.199 -6.248 -6.243 1.00 12.41 C ATOM 799 C ASP A 53 -0.944 -5.477 -5.589 1.00 60.31 C ATOM 800 O ASP A 53 -2.053 -5.422 -6.121 1.00 33.30 O ATOM 801 CB ASP A 53 0.595 -7.438 -5.369 1.00 2.23 C ATOM 802 CG ASP A 53 1.582 -8.361 -6.057 1.00 55.23 C ATOM 803 OD1 ASP A 53 1.158 -9.113 -6.960 1.00 41.24 O ATOM 804 OD2 ASP A 53 2.775 -8.329 -5.694 1.00 71.24 O ATOM 0 H ASP A 53 1.669 -4.879 -5.637 1.00 32.34 H new ATOM 0 HA ASP A 53 -0.142 -6.617 -7.210 1.00 12.41 H new ATOM 0 HB2 ASP A 53 1.031 -7.073 -4.439 1.00 2.23 H new ATOM 0 HB3 ASP A 53 -0.299 -8.002 -5.102 1.00 2.23 H new ATOM 809 N VAL A 54 -0.667 -4.886 -4.431 1.00 43.35 N ATOM 810 CA VAL A 54 -1.671 -4.120 -3.705 1.00 53.42 C ATOM 811 C VAL A 54 -1.368 -2.626 -3.758 1.00 31.13 C ATOM 812 O VAL A 54 -0.209 -2.215 -3.708 1.00 51.01 O ATOM 813 CB VAL A 54 -1.759 -4.563 -2.232 1.00 75.15 C ATOM 814 CG1 VAL A 54 -2.448 -5.914 -2.122 1.00 31.31 C ATOM 815 CG2 VAL A 54 -0.373 -4.609 -1.607 1.00 52.24 C ATOM 0 H VAL A 54 0.245 -4.924 -3.976 1.00 43.35 H new ATOM 0 HA VAL A 54 -2.627 -4.311 -4.192 1.00 53.42 H new ATOM 0 HB VAL A 54 -2.355 -3.833 -1.685 1.00 75.15 H new ATOM 0 HG11 VAL A 54 -2.501 -6.211 -1.075 1.00 31.31 H new ATOM 0 HG12 VAL A 54 -3.456 -5.843 -2.531 1.00 31.31 H new ATOM 0 HG13 VAL A 54 -1.881 -6.658 -2.682 1.00 31.31 H new ATOM 0 HG21 VAL A 54 -0.453 -4.924 -0.567 1.00 52.24 H new ATOM 0 HG22 VAL A 54 0.249 -5.318 -2.153 1.00 52.24 H new ATOM 0 HG23 VAL A 54 0.080 -3.619 -1.653 1.00 52.24 H new ATOM 825 N VAL A 55 -2.419 -1.818 -3.857 1.00 42.32 N ATOM 826 CA VAL A 55 -2.265 -0.369 -3.914 1.00 63.31 C ATOM 827 C VAL A 55 -2.991 0.307 -2.757 1.00 52.35 C ATOM 828 O VAL A 55 -4.212 0.476 -2.789 1.00 24.12 O ATOM 829 CB VAL A 55 -2.798 0.199 -5.243 1.00 13.53 C ATOM 830 CG1 VAL A 55 -2.513 1.691 -5.338 1.00 73.14 C ATOM 831 CG2 VAL A 55 -2.191 -0.544 -6.423 1.00 22.14 C ATOM 0 H VAL A 55 -3.385 -2.142 -3.899 1.00 42.32 H new ATOM 0 HA VAL A 55 -1.198 -0.160 -3.840 1.00 63.31 H new ATOM 0 HB VAL A 55 -3.878 0.056 -5.271 1.00 13.53 H new ATOM 0 HG11 VAL A 55 -2.896 2.075 -6.283 1.00 73.14 H new ATOM 0 HG12 VAL A 55 -3.001 2.208 -4.512 1.00 73.14 H new ATOM 0 HG13 VAL A 55 -1.437 1.860 -5.287 1.00 73.14 H new ATOM 0 HG21 VAL A 55 -2.579 -0.129 -7.353 1.00 22.14 H new ATOM 0 HG22 VAL A 55 -1.107 -0.436 -6.402 1.00 22.14 H new ATOM 0 HG23 VAL A 55 -2.451 -1.601 -6.361 1.00 22.14 H new ATOM 841 N LEU A 56 -2.235 0.693 -1.736 1.00 3.34 N ATOM 842 CA LEU A 56 -2.806 1.352 -0.567 1.00 31.23 C ATOM 843 C LEU A 56 -2.550 2.855 -0.609 1.00 41.33 C ATOM 844 O LEU A 56 -1.425 3.297 -0.849 1.00 52.41 O ATOM 845 CB LEU A 56 -2.220 0.759 0.716 1.00 45.34 C ATOM 846 CG LEU A 56 -2.220 -0.767 0.811 1.00 53.32 C ATOM 847 CD1 LEU A 56 -2.014 -1.212 2.250 1.00 23.34 C ATOM 848 CD2 LEU A 56 -3.519 -1.335 0.256 1.00 64.42 C ATOM 0 H LEU A 56 -1.224 0.561 -1.694 1.00 3.34 H new ATOM 0 HA LEU A 56 -3.883 1.185 -0.578 1.00 31.23 H new ATOM 0 HB2 LEU A 56 -1.193 1.109 0.818 1.00 45.34 H new ATOM 0 HB3 LEU A 56 -2.778 1.156 1.564 1.00 45.34 H new ATOM 0 HG LEU A 56 -1.393 -1.150 0.212 1.00 53.32 H new ATOM 0 HD11 LEU A 56 -2.017 -2.301 2.298 1.00 23.34 H new ATOM 0 HD12 LEU A 56 -1.058 -0.835 2.614 1.00 23.34 H new ATOM 0 HD13 LEU A 56 -2.819 -0.819 2.871 1.00 23.34 H new ATOM 0 HD21 LEU A 56 -3.502 -2.422 0.331 1.00 64.42 H new ATOM 0 HD22 LEU A 56 -4.361 -0.945 0.828 1.00 64.42 H new ATOM 0 HD23 LEU A 56 -3.625 -1.045 -0.789 1.00 64.42 H new ATOM 860 N LEU A 57 -3.599 3.636 -0.372 1.00 44.14 N ATOM 861 CA LEU A 57 -3.486 5.090 -0.382 1.00 13.44 C ATOM 862 C LEU A 57 -3.550 5.650 1.036 1.00 24.21 C ATOM 863 O LEU A 57 -4.318 5.171 1.870 1.00 61.11 O ATOM 864 CB LEU A 57 -4.600 5.702 -1.234 1.00 34.25 C ATOM 865 CG LEU A 57 -4.743 7.223 -1.161 1.00 64.20 C ATOM 866 CD1 LEU A 57 -3.549 7.903 -1.813 1.00 72.14 C ATOM 867 CD2 LEU A 57 -6.040 7.668 -1.821 1.00 2.55 C ATOM 0 H LEU A 57 -4.536 3.287 -0.171 1.00 44.14 H new ATOM 0 HA LEU A 57 -2.520 5.352 -0.814 1.00 13.44 H new ATOM 0 HB2 LEU A 57 -4.430 5.423 -2.274 1.00 34.25 H new ATOM 0 HB3 LEU A 57 -5.547 5.253 -0.934 1.00 34.25 H new ATOM 0 HG LEU A 57 -4.773 7.517 -0.112 1.00 64.20 H new ATOM 0 HD11 LEU A 57 -3.668 8.985 -1.752 1.00 72.14 H new ATOM 0 HD12 LEU A 57 -2.636 7.609 -1.296 1.00 72.14 H new ATOM 0 HD13 LEU A 57 -3.486 7.604 -2.859 1.00 72.14 H new ATOM 0 HD21 LEU A 57 -6.126 8.753 -1.760 1.00 2.55 H new ATOM 0 HD22 LEU A 57 -6.039 7.362 -2.867 1.00 2.55 H new ATOM 0 HD23 LEU A 57 -6.885 7.208 -1.309 1.00 2.55 H new ATOM 879 N ALA A 58 -2.738 6.668 1.301 1.00 1.15 N ATOM 880 CA ALA A 58 -2.705 7.296 2.617 1.00 54.51 C ATOM 881 C ALA A 58 -4.030 7.982 2.931 1.00 34.51 C ATOM 882 O ALA A 58 -4.827 8.284 2.043 1.00 50.13 O ATOM 883 CB ALA A 58 -1.560 8.296 2.696 1.00 20.51 C ATOM 0 H ALA A 58 -2.094 7.076 0.623 1.00 1.15 H new ATOM 0 HA ALA A 58 -2.544 6.516 3.361 1.00 54.51 H new ATOM 0 HB1 ALA A 58 -1.547 8.757 3.684 1.00 20.51 H new ATOM 0 HB2 ALA A 58 -0.615 7.781 2.524 1.00 20.51 H new ATOM 0 HB3 ALA A 58 -1.697 9.067 1.937 1.00 20.51 H new ATOM 889 N PRO A 59 -4.275 8.233 4.226 1.00 61.13 N ATOM 890 CA PRO A 59 -5.504 8.886 4.687 1.00 1.00 C ATOM 891 C PRO A 59 -5.564 10.356 4.289 1.00 14.41 C ATOM 892 O PRO A 59 -6.625 10.978 4.339 1.00 51.53 O ATOM 893 CB PRO A 59 -5.430 8.746 6.210 1.00 43.41 C ATOM 894 CG PRO A 59 -3.975 8.627 6.509 1.00 71.23 C ATOM 895 CD PRO A 59 -3.371 7.900 5.339 1.00 63.23 C ATOM 0 HA PRO A 59 -6.394 8.437 4.247 1.00 1.00 H new ATOM 0 HB2 PRO A 59 -5.867 9.611 6.709 1.00 43.41 H new ATOM 0 HB3 PRO A 59 -5.978 7.869 6.554 1.00 43.41 H new ATOM 0 HG2 PRO A 59 -3.521 9.610 6.635 1.00 71.23 H new ATOM 0 HG3 PRO A 59 -3.811 8.079 7.437 1.00 71.23 H new ATOM 0 HD2 PRO A 59 -2.352 8.233 5.142 1.00 63.23 H new ATOM 0 HD3 PRO A 59 -3.327 6.825 5.513 1.00 63.23 H new ATOM 903 N GLN A 60 -4.420 10.905 3.895 1.00 21.22 N ATOM 904 CA GLN A 60 -4.343 12.303 3.489 1.00 53.55 C ATOM 905 C GLN A 60 -4.594 12.449 1.992 1.00 52.55 C ATOM 906 O GLN A 60 -3.673 12.334 1.183 1.00 60.10 O ATOM 907 CB GLN A 60 -2.976 12.887 3.848 1.00 42.33 C ATOM 908 CG GLN A 60 -2.941 13.560 5.211 1.00 61.24 C ATOM 909 CD GLN A 60 -1.758 14.495 5.369 1.00 14.41 C ATOM 910 OE1 GLN A 60 -1.915 15.717 5.376 1.00 42.00 O ATOM 911 NE2 GLN A 60 -0.566 13.926 5.498 1.00 50.13 N ATOM 0 H GLN A 60 -3.533 10.403 3.848 1.00 21.22 H new ATOM 0 HA GLN A 60 -5.116 12.853 4.025 1.00 53.55 H new ATOM 0 HB2 GLN A 60 -2.233 12.090 3.826 1.00 42.33 H new ATOM 0 HB3 GLN A 60 -2.688 13.612 3.087 1.00 42.33 H new ATOM 0 HG2 GLN A 60 -3.864 14.120 5.360 1.00 61.24 H new ATOM 0 HG3 GLN A 60 -2.903 12.797 5.988 1.00 61.24 H new ATOM 0 HE21 GLN A 60 -0.482 12.910 5.487 1.00 50.13 H new ATOM 0 HE22 GLN A 60 0.266 14.505 5.609 1.00 50.13 H new ATOM 920 N SER A 61 -5.848 12.705 1.629 1.00 2.21 N ATOM 921 CA SER A 61 -6.221 12.863 0.228 1.00 10.22 C ATOM 922 C SER A 61 -7.652 13.377 0.101 1.00 24.35 C ATOM 923 O SER A 61 -8.598 12.728 0.549 1.00 40.32 O ATOM 924 CB SER A 61 -6.078 11.532 -0.513 1.00 13.31 C ATOM 925 OG SER A 61 -4.748 11.340 -0.964 1.00 1.01 O ATOM 0 H SER A 61 -6.622 12.807 2.286 1.00 2.21 H new ATOM 0 HA SER A 61 -5.549 13.595 -0.221 1.00 10.22 H new ATOM 0 HB2 SER A 61 -6.364 10.712 0.146 1.00 13.31 H new ATOM 0 HB3 SER A 61 -6.760 11.510 -1.363 1.00 13.31 H new ATOM 0 HG SER A 61 -4.127 11.788 -0.352 1.00 1.01 H new ATOM 931 N ARG A 62 -7.802 14.547 -0.511 1.00 4.34 N ATOM 932 CA ARG A 62 -9.115 15.150 -0.695 1.00 55.44 C ATOM 933 C ARG A 62 -9.725 14.728 -2.029 1.00 4.43 C ATOM 934 O ARG A 62 -10.930 14.496 -2.128 1.00 4.11 O ATOM 935 CB ARG A 62 -9.015 16.675 -0.627 1.00 51.33 C ATOM 936 CG ARG A 62 -8.152 17.278 -1.724 1.00 60.02 C ATOM 937 CD ARG A 62 -7.670 18.671 -1.351 1.00 52.12 C ATOM 938 NE ARG A 62 -7.860 19.625 -2.442 1.00 25.14 N ATOM 939 CZ ARG A 62 -7.160 19.599 -3.571 1.00 11.23 C ATOM 940 NH1 ARG A 62 -6.230 18.672 -3.757 1.00 0.32 N ATOM 941 NH2 ARG A 62 -7.390 20.501 -4.516 1.00 30.42 N ATOM 0 H ARG A 62 -7.029 15.096 -0.888 1.00 4.34 H new ATOM 0 HA ARG A 62 -9.763 14.800 0.108 1.00 55.44 H new ATOM 0 HB2 ARG A 62 -10.017 17.100 -0.690 1.00 51.33 H new ATOM 0 HB3 ARG A 62 -8.608 16.961 0.343 1.00 51.33 H new ATOM 0 HG2 ARG A 62 -7.294 16.632 -1.909 1.00 60.02 H new ATOM 0 HG3 ARG A 62 -8.722 17.325 -2.652 1.00 60.02 H new ATOM 0 HD2 ARG A 62 -8.208 19.017 -0.469 1.00 52.12 H new ATOM 0 HD3 ARG A 62 -6.614 18.630 -1.084 1.00 52.12 H new ATOM 0 HE ARG A 62 -8.569 20.350 -2.331 1.00 25.14 H new ATOM 0 HH11 ARG A 62 -6.051 17.977 -3.032 1.00 0.32 H new ATOM 0 HH12 ARG A 62 -5.694 18.654 -4.625 1.00 0.32 H new ATOM 0 HH21 ARG A 62 -8.105 21.215 -4.376 1.00 30.42 H new ATOM 0 HH22 ARG A 62 -6.852 20.480 -5.382 1.00 30.42 H new ATOM 955 N PHE A 63 -8.884 14.634 -3.054 1.00 32.20 N ATOM 956 CA PHE A 63 -9.340 14.242 -4.383 1.00 4.25 C ATOM 957 C PHE A 63 -8.696 12.927 -4.812 1.00 4.23 C ATOM 958 O PHE A 63 -9.265 12.174 -5.601 1.00 41.54 O ATOM 959 CB PHE A 63 -9.014 15.338 -5.400 1.00 42.22 C ATOM 960 CG PHE A 63 -10.128 15.604 -6.371 1.00 60.41 C ATOM 961 CD1 PHE A 63 -10.425 14.692 -7.372 1.00 30.23 C ATOM 962 CD2 PHE A 63 -10.879 16.765 -6.285 1.00 3.43 C ATOM 963 CE1 PHE A 63 -11.449 14.934 -8.267 1.00 54.05 C ATOM 964 CE2 PHE A 63 -11.905 17.013 -7.177 1.00 63.25 C ATOM 965 CZ PHE A 63 -12.191 16.096 -8.169 1.00 61.20 C ATOM 0 H PHE A 63 -7.884 14.824 -2.990 1.00 32.20 H new ATOM 0 HA PHE A 63 -10.420 14.102 -4.343 1.00 4.25 H new ATOM 0 HB2 PHE A 63 -8.780 16.259 -4.867 1.00 42.22 H new ATOM 0 HB3 PHE A 63 -8.119 15.054 -5.954 1.00 42.22 H new ATOM 0 HD1 PHE A 63 -9.849 13.782 -7.453 1.00 30.23 H new ATOM 0 HD2 PHE A 63 -10.660 17.486 -5.511 1.00 3.43 H new ATOM 0 HE1 PHE A 63 -11.670 14.216 -9.043 1.00 54.05 H new ATOM 0 HE2 PHE A 63 -12.482 17.922 -7.098 1.00 63.25 H new ATOM 0 HZ PHE A 63 -12.993 16.286 -8.867 1.00 61.20 H new ATOM 975 N ASN A 64 -7.506 12.658 -4.287 1.00 23.14 N ATOM 976 CA ASN A 64 -6.783 11.435 -4.615 1.00 62.34 C ATOM 977 C ASN A 64 -7.668 10.209 -4.410 1.00 32.42 C ATOM 978 O ASN A 64 -7.802 9.369 -5.301 1.00 13.41 O ATOM 979 CB ASN A 64 -5.521 11.316 -3.759 1.00 14.11 C ATOM 980 CG ASN A 64 -4.253 11.339 -4.590 1.00 72.32 C ATOM 981 OD1 ASN A 64 -4.133 12.115 -5.538 1.00 72.04 O ATOM 982 ND2 ASN A 64 -3.300 10.484 -4.239 1.00 30.13 N ATOM 0 H ASN A 64 -7.021 13.271 -3.632 1.00 23.14 H new ATOM 0 HA ASN A 64 -6.496 11.484 -5.666 1.00 62.34 H new ATOM 0 HB2 ASN A 64 -5.495 12.134 -3.039 1.00 14.11 H new ATOM 0 HB3 ASN A 64 -5.560 10.389 -3.187 1.00 14.11 H new ATOM 0 HD21 ASN A 64 -2.425 10.452 -4.762 1.00 30.13 H new ATOM 0 HD22 ASN A 64 -3.443 9.859 -3.446 1.00 30.13 H new ATOM 989 N LYS A 65 -8.270 10.111 -3.230 1.00 52.51 N ATOM 990 CA LYS A 65 -9.145 8.991 -2.906 1.00 40.13 C ATOM 991 C LYS A 65 -10.207 8.800 -3.984 1.00 0.14 C ATOM 992 O LYS A 65 -10.436 7.686 -4.455 1.00 34.51 O ATOM 993 CB LYS A 65 -9.814 9.215 -1.549 1.00 11.22 C ATOM 994 CG LYS A 65 -10.495 10.566 -1.422 1.00 54.11 C ATOM 995 CD LYS A 65 -10.955 10.829 0.002 1.00 45.01 C ATOM 996 CE LYS A 65 -12.456 10.635 0.149 1.00 43.22 C ATOM 997 NZ LYS A 65 -13.035 11.548 1.174 1.00 73.24 N ATOM 0 H LYS A 65 -8.168 10.795 -2.481 1.00 52.51 H new ATOM 0 HA LYS A 65 -8.535 8.089 -2.858 1.00 40.13 H new ATOM 0 HB2 LYS A 65 -10.551 8.429 -1.383 1.00 11.22 H new ATOM 0 HB3 LYS A 65 -9.064 9.120 -0.764 1.00 11.22 H new ATOM 0 HG2 LYS A 65 -9.807 11.352 -1.734 1.00 54.11 H new ATOM 0 HG3 LYS A 65 -11.351 10.607 -2.095 1.00 54.11 H new ATOM 0 HD2 LYS A 65 -10.432 10.158 0.684 1.00 45.01 H new ATOM 0 HD3 LYS A 65 -10.689 11.846 0.289 1.00 45.01 H new ATOM 0 HE2 LYS A 65 -12.941 10.812 -0.811 1.00 43.22 H new ATOM 0 HE3 LYS A 65 -12.663 9.601 0.425 1.00 43.22 H new ATOM 0 HZ1 LYS A 65 -14.060 11.385 1.245 1.00 73.24 H new ATOM 0 HZ2 LYS A 65 -12.590 11.362 2.096 1.00 73.24 H new ATOM 0 HZ3 LYS A 65 -12.860 12.535 0.898 1.00 73.24 H new ATOM 1011 N LYS A 66 -10.853 9.894 -4.371 1.00 41.24 N ATOM 1012 CA LYS A 66 -11.890 9.850 -5.396 1.00 61.44 C ATOM 1013 C LYS A 66 -11.343 9.270 -6.698 1.00 15.33 C ATOM 1014 O LYS A 66 -11.860 8.278 -7.211 1.00 54.15 O ATOM 1015 CB LYS A 66 -12.451 11.251 -5.644 1.00 51.05 C ATOM 1016 CG LYS A 66 -13.692 11.263 -6.521 1.00 24.23 C ATOM 1017 CD LYS A 66 -14.892 10.679 -5.795 1.00 61.54 C ATOM 1018 CE LYS A 66 -16.197 11.262 -6.316 1.00 71.23 C ATOM 1019 NZ LYS A 66 -17.377 10.726 -5.583 1.00 24.32 N ATOM 0 H LYS A 66 -10.677 10.824 -3.990 1.00 41.24 H new ATOM 0 HA LYS A 66 -12.692 9.203 -5.039 1.00 61.44 H new ATOM 0 HB2 LYS A 66 -12.689 11.713 -4.686 1.00 51.05 H new ATOM 0 HB3 LYS A 66 -11.680 11.864 -6.111 1.00 51.05 H new ATOM 0 HG2 LYS A 66 -13.913 12.286 -6.827 1.00 24.23 H new ATOM 0 HG3 LYS A 66 -13.502 10.692 -7.430 1.00 24.23 H new ATOM 0 HD2 LYS A 66 -14.901 9.596 -5.918 1.00 61.54 H new ATOM 0 HD3 LYS A 66 -14.804 10.878 -4.727 1.00 61.54 H new ATOM 0 HE2 LYS A 66 -16.173 12.348 -6.221 1.00 71.23 H new ATOM 0 HE3 LYS A 66 -16.297 11.037 -7.378 1.00 71.23 H new ATOM 0 HZ1 LYS A 66 -18.246 11.148 -5.968 1.00 24.32 H new ATOM 0 HZ2 LYS A 66 -17.415 9.693 -5.695 1.00 24.32 H new ATOM 0 HZ3 LYS A 66 -17.295 10.962 -4.574 1.00 24.32 H new ATOM 1033 N ARG A 67 -10.297 9.896 -7.225 1.00 4.33 N ATOM 1034 CA ARG A 67 -9.680 9.442 -8.466 1.00 14.12 C ATOM 1035 C ARG A 67 -9.289 7.971 -8.372 1.00 22.10 C ATOM 1036 O ARG A 67 -9.788 7.135 -9.125 1.00 35.53 O ATOM 1037 CB ARG A 67 -8.449 10.290 -8.788 1.00 51.22 C ATOM 1038 CG ARG A 67 -8.743 11.468 -9.702 1.00 64.14 C ATOM 1039 CD ARG A 67 -7.462 12.122 -10.198 1.00 64.00 C ATOM 1040 NE ARG A 67 -7.082 11.645 -11.525 1.00 10.53 N ATOM 1041 CZ ARG A 67 -7.753 11.944 -12.632 1.00 51.02 C ATOM 1042 NH1 ARG A 67 -8.831 12.713 -12.572 1.00 12.15 N ATOM 1043 NH2 ARG A 67 -7.345 11.472 -13.804 1.00 3.42 N ATOM 0 H ARG A 67 -9.858 10.719 -6.812 1.00 4.33 H new ATOM 0 HA ARG A 67 -10.409 9.555 -9.268 1.00 14.12 H new ATOM 0 HB2 ARG A 67 -8.021 10.661 -7.857 1.00 51.22 H new ATOM 0 HB3 ARG A 67 -7.695 9.657 -9.256 1.00 51.22 H new ATOM 0 HG2 ARG A 67 -9.334 11.131 -10.554 1.00 64.14 H new ATOM 0 HG3 ARG A 67 -9.345 12.203 -9.168 1.00 64.14 H new ATOM 0 HD2 ARG A 67 -7.594 13.204 -10.226 1.00 64.00 H new ATOM 0 HD3 ARG A 67 -6.655 11.918 -9.495 1.00 64.00 H new ATOM 0 HE ARG A 67 -6.257 11.050 -11.606 1.00 10.53 H new ATOM 0 HH11 ARG A 67 -9.148 13.077 -11.674 1.00 12.15 H new ATOM 0 HH12 ARG A 67 -9.343 12.940 -13.424 1.00 12.15 H new ATOM 0 HH21 ARG A 67 -6.516 10.880 -13.855 1.00 3.42 H new ATOM 0 HH22 ARG A 67 -7.860 11.702 -14.654 1.00 3.42 H new ATOM 1057 N LEU A 68 -8.391 7.661 -7.443 1.00 42.35 N ATOM 1058 CA LEU A 68 -7.930 6.291 -7.250 1.00 32.11 C ATOM 1059 C LEU A 68 -9.110 5.335 -7.109 1.00 54.02 C ATOM 1060 O LEU A 68 -9.037 4.178 -7.524 1.00 4.12 O ATOM 1061 CB LEU A 68 -7.036 6.202 -6.012 1.00 62.43 C ATOM 1062 CG LEU A 68 -5.591 6.669 -6.192 1.00 10.01 C ATOM 1063 CD1 LEU A 68 -5.142 7.488 -4.991 1.00 33.51 C ATOM 1064 CD2 LEU A 68 -4.668 5.479 -6.405 1.00 23.10 C ATOM 0 H LEU A 68 -7.968 8.341 -6.811 1.00 42.35 H new ATOM 0 HA LEU A 68 -7.353 6.001 -8.128 1.00 32.11 H new ATOM 0 HB2 LEU A 68 -7.491 6.792 -5.217 1.00 62.43 H new ATOM 0 HB3 LEU A 68 -7.022 5.166 -5.672 1.00 62.43 H new ATOM 0 HG LEU A 68 -5.541 7.303 -7.077 1.00 10.01 H new ATOM 0 HD11 LEU A 68 -4.111 7.812 -5.136 1.00 33.51 H new ATOM 0 HD12 LEU A 68 -5.785 8.361 -4.885 1.00 33.51 H new ATOM 0 HD13 LEU A 68 -5.207 6.878 -4.090 1.00 33.51 H new ATOM 0 HD21 LEU A 68 -3.644 5.831 -6.531 1.00 23.10 H new ATOM 0 HD22 LEU A 68 -4.721 4.818 -5.540 1.00 23.10 H new ATOM 0 HD23 LEU A 68 -4.977 4.934 -7.297 1.00 23.10 H new ATOM 1076 N GLU A 69 -10.198 5.827 -6.525 1.00 25.15 N ATOM 1077 CA GLU A 69 -11.394 5.016 -6.331 1.00 64.13 C ATOM 1078 C GLU A 69 -12.084 4.737 -7.663 1.00 44.42 C ATOM 1079 O GLU A 69 -12.278 3.583 -8.044 1.00 13.35 O ATOM 1080 CB GLU A 69 -12.364 5.717 -5.378 1.00 12.10 C ATOM 1081 CG GLU A 69 -12.122 5.391 -3.914 1.00 3.12 C ATOM 1082 CD GLU A 69 -12.834 4.127 -3.473 1.00 31.12 C ATOM 1083 OE1 GLU A 69 -14.077 4.157 -3.350 1.00 4.34 O ATOM 1084 OE2 GLU A 69 -12.148 3.107 -3.250 1.00 54.32 O ATOM 0 H GLU A 69 -10.276 6.783 -6.178 1.00 25.15 H new ATOM 0 HA GLU A 69 -11.090 4.065 -5.893 1.00 64.13 H new ATOM 0 HB2 GLU A 69 -12.284 6.795 -5.519 1.00 12.10 H new ATOM 0 HB3 GLU A 69 -13.384 5.436 -5.640 1.00 12.10 H new ATOM 0 HG2 GLU A 69 -11.051 5.279 -3.743 1.00 3.12 H new ATOM 0 HG3 GLU A 69 -12.458 6.226 -3.299 1.00 3.12 H new ATOM 1091 N GLU A 70 -12.451 5.804 -8.367 1.00 34.32 N ATOM 1092 CA GLU A 70 -13.121 5.675 -9.655 1.00 62.23 C ATOM 1093 C GLU A 70 -12.240 4.929 -10.653 1.00 62.12 C ATOM 1094 O GLU A 70 -12.723 4.425 -11.669 1.00 10.24 O ATOM 1095 CB GLU A 70 -13.481 7.055 -10.209 1.00 74.04 C ATOM 1096 CG GLU A 70 -12.273 7.885 -10.608 1.00 64.43 C ATOM 1097 CD GLU A 70 -12.653 9.135 -11.378 1.00 0.54 C ATOM 1098 OE1 GLU A 70 -13.424 9.954 -10.835 1.00 1.54 O ATOM 1099 OE2 GLU A 70 -12.180 9.295 -12.522 1.00 64.40 O ATOM 0 H GLU A 70 -12.295 6.766 -8.067 1.00 34.32 H new ATOM 0 HA GLU A 70 -14.036 5.102 -9.504 1.00 62.23 H new ATOM 0 HB2 GLU A 70 -14.129 6.931 -11.077 1.00 74.04 H new ATOM 0 HB3 GLU A 70 -14.054 7.600 -9.459 1.00 74.04 H new ATOM 0 HG2 GLU A 70 -11.720 8.168 -9.713 1.00 64.43 H new ATOM 0 HG3 GLU A 70 -11.604 7.277 -11.217 1.00 64.43 H new ATOM 1106 N ILE A 71 -10.947 4.862 -10.358 1.00 60.30 N ATOM 1107 CA ILE A 71 -9.999 4.177 -11.228 1.00 40.51 C ATOM 1108 C ILE A 71 -9.818 2.723 -10.809 1.00 75.20 C ATOM 1109 O ILE A 71 -9.648 1.838 -11.649 1.00 15.25 O ATOM 1110 CB ILE A 71 -8.626 4.875 -11.224 1.00 63.43 C ATOM 1111 CG1 ILE A 71 -8.762 6.320 -11.708 1.00 52.41 C ATOM 1112 CG2 ILE A 71 -7.640 4.110 -12.096 1.00 35.24 C ATOM 1113 CD1 ILE A 71 -7.679 7.237 -11.185 1.00 10.32 C ATOM 0 H ILE A 71 -10.531 5.274 -9.523 1.00 60.30 H new ATOM 0 HA ILE A 71 -10.414 4.213 -12.235 1.00 40.51 H new ATOM 0 HB ILE A 71 -8.245 4.888 -10.203 1.00 63.43 H new ATOM 0 HG12 ILE A 71 -8.743 6.333 -12.798 1.00 52.41 H new ATOM 0 HG13 ILE A 71 -9.734 6.707 -11.402 1.00 52.41 H new ATOM 0 HG21 ILE A 71 -6.674 4.616 -12.083 1.00 35.24 H new ATOM 0 HG22 ILE A 71 -7.524 3.097 -11.711 1.00 35.24 H new ATOM 0 HG23 ILE A 71 -8.014 4.069 -13.119 1.00 35.24 H new ATOM 0 HD11 ILE A 71 -7.839 8.245 -11.569 1.00 10.32 H new ATOM 0 HD12 ILE A 71 -7.711 7.254 -10.096 1.00 10.32 H new ATOM 0 HD13 ILE A 71 -6.705 6.874 -11.513 1.00 10.32 H new ATOM 1125 N THR A 72 -9.859 2.480 -9.502 1.00 63.23 N ATOM 1126 CA THR A 72 -9.701 1.133 -8.970 1.00 35.31 C ATOM 1127 C THR A 72 -10.896 0.256 -9.327 1.00 53.34 C ATOM 1128 O THR A 72 -10.744 -0.928 -9.624 1.00 74.24 O ATOM 1129 CB THR A 72 -9.530 1.149 -7.439 1.00 15.44 C ATOM 1130 OG1 THR A 72 -10.427 2.103 -6.857 1.00 54.04 O ATOM 1131 CG2 THR A 72 -8.099 1.493 -7.058 1.00 20.04 C ATOM 0 H THR A 72 -10.000 3.199 -8.793 1.00 63.23 H new ATOM 0 HA THR A 72 -8.801 0.719 -9.424 1.00 35.31 H new ATOM 0 HB THR A 72 -9.761 0.154 -7.059 1.00 15.44 H new ATOM 0 HG1 THR A 72 -11.143 2.310 -7.494 1.00 54.04 H new ATOM 0 HG21 THR A 72 -8.003 1.498 -5.972 1.00 20.04 H new ATOM 0 HG22 THR A 72 -7.422 0.750 -7.479 1.00 20.04 H new ATOM 0 HG23 THR A 72 -7.845 2.478 -7.449 1.00 20.04 H new ATOM 1139 N LYS A 73 -12.087 0.846 -9.297 1.00 5.44 N ATOM 1140 CA LYS A 73 -13.310 0.120 -9.619 1.00 3.43 C ATOM 1141 C LYS A 73 -13.164 -0.630 -10.939 1.00 55.03 C ATOM 1142 O LYS A 73 -13.255 -1.856 -10.997 1.00 22.44 O ATOM 1143 CB LYS A 73 -14.494 1.087 -9.696 1.00 62.44 C ATOM 1144 CG LYS A 73 -15.462 0.955 -8.534 1.00 1.24 C ATOM 1145 CD LYS A 73 -15.387 2.159 -7.607 1.00 53.14 C ATOM 1146 CE LYS A 73 -16.699 2.377 -6.871 1.00 31.34 C ATOM 1147 NZ LYS A 73 -17.449 3.546 -7.408 1.00 33.42 N ATOM 0 H LYS A 73 -12.231 1.826 -9.053 1.00 5.44 H new ATOM 0 HA LYS A 73 -13.493 -0.607 -8.827 1.00 3.43 H new ATOM 0 HB2 LYS A 73 -14.116 2.109 -9.729 1.00 62.44 H new ATOM 0 HB3 LYS A 73 -15.032 0.916 -10.628 1.00 62.44 H new ATOM 0 HG2 LYS A 73 -16.478 0.851 -8.915 1.00 1.24 H new ATOM 0 HG3 LYS A 73 -15.237 0.048 -7.973 1.00 1.24 H new ATOM 0 HD2 LYS A 73 -14.583 2.014 -6.885 1.00 53.14 H new ATOM 0 HD3 LYS A 73 -15.140 3.050 -8.185 1.00 53.14 H new ATOM 0 HE2 LYS A 73 -17.315 1.481 -6.954 1.00 31.34 H new ATOM 0 HE3 LYS A 73 -16.499 2.530 -5.810 1.00 31.34 H new ATOM 0 HZ1 LYS A 73 -18.337 3.661 -6.880 1.00 33.42 H new ATOM 0 HZ2 LYS A 73 -16.872 4.405 -7.306 1.00 33.42 H new ATOM 0 HZ3 LYS A 73 -17.662 3.389 -8.414 1.00 33.42 H new ATOM 1161 N PRO A 74 -12.933 0.122 -12.025 1.00 65.33 N ATOM 1162 CA PRO A 74 -12.768 -0.452 -13.365 1.00 34.10 C ATOM 1163 C PRO A 74 -11.465 -1.232 -13.505 1.00 53.21 C ATOM 1164 O PRO A 74 -11.414 -2.259 -14.181 1.00 21.31 O ATOM 1165 CB PRO A 74 -12.758 0.776 -14.278 1.00 25.00 C ATOM 1166 CG PRO A 74 -12.290 1.891 -13.408 1.00 52.51 C ATOM 1167 CD PRO A 74 -12.812 1.589 -12.031 1.00 12.11 C ATOM 0 HA PRO A 74 -13.554 -1.169 -13.601 1.00 34.10 H new ATOM 0 HB2 PRO A 74 -12.092 0.631 -15.129 1.00 25.00 H new ATOM 0 HB3 PRO A 74 -13.751 0.978 -14.681 1.00 25.00 H new ATOM 0 HG2 PRO A 74 -11.202 1.955 -13.407 1.00 52.51 H new ATOM 0 HG3 PRO A 74 -12.666 2.849 -13.766 1.00 52.51 H new ATOM 0 HD2 PRO A 74 -12.129 1.939 -11.257 1.00 12.11 H new ATOM 0 HD3 PRO A 74 -13.772 2.072 -11.851 1.00 12.11 H new ATOM 1175 N LYS A 75 -10.413 -0.737 -12.862 1.00 30.24 N ATOM 1176 CA LYS A 75 -9.109 -1.387 -12.912 1.00 51.15 C ATOM 1177 C LYS A 75 -9.161 -2.763 -12.256 1.00 52.23 C ATOM 1178 O LYS A 75 -8.346 -3.636 -12.555 1.00 14.23 O ATOM 1179 CB LYS A 75 -8.055 -0.519 -12.220 1.00 72.12 C ATOM 1180 CG LYS A 75 -6.644 -1.067 -12.338 1.00 61.10 C ATOM 1181 CD LYS A 75 -6.117 -0.949 -13.758 1.00 25.50 C ATOM 1182 CE LYS A 75 -5.353 -2.198 -14.173 1.00 63.21 C ATOM 1183 NZ LYS A 75 -5.259 -2.324 -15.655 1.00 4.34 N ATOM 0 H LYS A 75 -10.438 0.113 -12.299 1.00 30.24 H new ATOM 0 HA LYS A 75 -8.835 -1.514 -13.959 1.00 51.15 H new ATOM 0 HB2 LYS A 75 -8.084 0.483 -12.648 1.00 72.12 H new ATOM 0 HB3 LYS A 75 -8.311 -0.423 -11.165 1.00 72.12 H new ATOM 0 HG2 LYS A 75 -5.985 -0.527 -11.658 1.00 61.10 H new ATOM 0 HG3 LYS A 75 -6.632 -2.113 -12.030 1.00 61.10 H new ATOM 0 HD2 LYS A 75 -6.948 -0.785 -14.444 1.00 25.50 H new ATOM 0 HD3 LYS A 75 -5.464 -0.079 -13.834 1.00 25.50 H new ATOM 0 HE2 LYS A 75 -4.350 -2.169 -13.747 1.00 63.21 H new ATOM 0 HE3 LYS A 75 -5.848 -3.079 -13.764 1.00 63.21 H new ATOM 0 HZ1 LYS A 75 -4.732 -3.187 -15.897 1.00 4.34 H new ATOM 0 HZ2 LYS A 75 -6.215 -2.377 -16.060 1.00 4.34 H new ATOM 0 HZ3 LYS A 75 -4.764 -1.496 -16.043 1.00 4.34 H new ATOM 1197 N GLY A 76 -10.126 -2.951 -11.361 1.00 41.52 N ATOM 1198 CA GLY A 76 -10.267 -4.223 -10.678 1.00 3.14 C ATOM 1199 C GLY A 76 -8.987 -4.657 -9.991 1.00 24.23 C ATOM 1200 O GLY A 76 -8.401 -5.680 -10.344 1.00 52.14 O ATOM 0 H GLY A 76 -10.813 -2.245 -11.097 1.00 41.52 H new ATOM 0 HA2 GLY A 76 -11.065 -4.149 -9.939 1.00 3.14 H new ATOM 0 HA3 GLY A 76 -10.567 -4.986 -11.396 1.00 3.14 H new ATOM 1204 N ILE A 77 -8.552 -3.877 -9.007 1.00 3.13 N ATOM 1205 CA ILE A 77 -7.333 -4.187 -8.269 1.00 15.31 C ATOM 1206 C ILE A 77 -7.541 -4.017 -6.768 1.00 63.15 C ATOM 1207 O ILE A 77 -8.399 -3.258 -6.317 1.00 62.42 O ATOM 1208 CB ILE A 77 -6.161 -3.293 -8.719 1.00 31.13 C ATOM 1209 CG1 ILE A 77 -6.570 -1.819 -8.676 1.00 71.43 C ATOM 1210 CG2 ILE A 77 -5.704 -3.682 -10.116 1.00 71.41 C ATOM 1211 CD1 ILE A 77 -5.696 -0.976 -7.774 1.00 74.40 C ATOM 0 H ILE A 77 -9.025 -3.026 -8.702 1.00 3.13 H new ATOM 0 HA ILE A 77 -7.089 -5.228 -8.483 1.00 15.31 H new ATOM 0 HB ILE A 77 -5.327 -3.439 -8.032 1.00 31.13 H new ATOM 0 HG12 ILE A 77 -6.536 -1.411 -9.686 1.00 71.43 H new ATOM 0 HG13 ILE A 77 -7.604 -1.747 -8.338 1.00 71.43 H new ATOM 0 HG21 ILE A 77 -4.876 -3.042 -10.419 1.00 71.41 H new ATOM 0 HG22 ILE A 77 -5.377 -4.722 -10.116 1.00 71.41 H new ATOM 0 HG23 ILE A 77 -6.531 -3.562 -10.816 1.00 71.41 H new ATOM 0 HD11 ILE A 77 -6.044 0.057 -7.792 1.00 74.40 H new ATOM 0 HD12 ILE A 77 -5.749 -1.359 -6.755 1.00 74.40 H new ATOM 0 HD13 ILE A 77 -4.665 -1.018 -8.124 1.00 74.40 H new ATOM 1223 N PRO A 78 -6.735 -4.739 -5.975 1.00 20.14 N ATOM 1224 CA PRO A 78 -6.810 -4.684 -4.511 1.00 31.31 C ATOM 1225 C PRO A 78 -6.323 -3.349 -3.956 1.00 35.02 C ATOM 1226 O PRO A 78 -5.123 -3.141 -3.778 1.00 71.15 O ATOM 1227 CB PRO A 78 -5.883 -5.818 -4.066 1.00 33.20 C ATOM 1228 CG PRO A 78 -4.921 -5.986 -5.192 1.00 54.20 C ATOM 1229 CD PRO A 78 -5.690 -5.663 -6.444 1.00 60.23 C ATOM 0 HA PRO A 78 -7.834 -4.786 -4.151 1.00 31.31 H new ATOM 0 HB2 PRO A 78 -5.367 -5.567 -3.139 1.00 33.20 H new ATOM 0 HB3 PRO A 78 -6.441 -6.736 -3.882 1.00 33.20 H new ATOM 0 HG2 PRO A 78 -4.065 -5.321 -5.077 1.00 54.20 H new ATOM 0 HG3 PRO A 78 -4.532 -7.004 -5.224 1.00 54.20 H new ATOM 0 HD2 PRO A 78 -5.053 -5.200 -7.198 1.00 60.23 H new ATOM 0 HD3 PRO A 78 -6.118 -6.558 -6.895 1.00 60.23 H new ATOM 1237 N ILE A 79 -7.263 -2.450 -3.684 1.00 10.24 N ATOM 1238 CA ILE A 79 -6.930 -1.136 -3.146 1.00 63.34 C ATOM 1239 C ILE A 79 -7.500 -0.955 -1.744 1.00 35.14 C ATOM 1240 O ILE A 79 -8.657 -1.283 -1.487 1.00 34.23 O ATOM 1241 CB ILE A 79 -7.456 -0.008 -4.052 1.00 44.23 C ATOM 1242 CG1 ILE A 79 -6.895 1.342 -3.601 1.00 31.43 C ATOM 1243 CG2 ILE A 79 -8.977 0.014 -4.041 1.00 43.23 C ATOM 1244 CD1 ILE A 79 -5.915 1.948 -4.582 1.00 31.43 C ATOM 0 H ILE A 79 -8.261 -2.607 -3.827 1.00 10.24 H new ATOM 0 HA ILE A 79 -5.842 -1.079 -3.103 1.00 63.34 H new ATOM 0 HB ILE A 79 -7.122 -0.196 -5.072 1.00 44.23 H new ATOM 0 HG12 ILE A 79 -7.721 2.037 -3.449 1.00 31.43 H new ATOM 0 HG13 ILE A 79 -6.402 1.217 -2.637 1.00 31.43 H new ATOM 0 HG21 ILE A 79 -9.334 0.817 -4.686 1.00 43.23 H new ATOM 0 HG22 ILE A 79 -9.357 -0.940 -4.405 1.00 43.23 H new ATOM 0 HG23 ILE A 79 -9.331 0.181 -3.024 1.00 43.23 H new ATOM 0 HD11 ILE A 79 -5.559 2.903 -4.197 1.00 31.43 H new ATOM 0 HD12 ILE A 79 -5.070 1.273 -4.716 1.00 31.43 H new ATOM 0 HD13 ILE A 79 -6.410 2.105 -5.541 1.00 31.43 H new ATOM 1256 N GLU A 80 -6.679 -0.429 -0.841 1.00 11.51 N ATOM 1257 CA GLU A 80 -7.103 -0.202 0.536 1.00 13.14 C ATOM 1258 C GLU A 80 -6.625 1.158 1.036 1.00 21.12 C ATOM 1259 O GLU A 80 -5.852 1.841 0.364 1.00 23.03 O ATOM 1260 CB GLU A 80 -6.568 -1.309 1.447 1.00 62.14 C ATOM 1261 CG GLU A 80 -7.660 -2.129 2.114 1.00 64.11 C ATOM 1262 CD GLU A 80 -8.724 -1.266 2.763 1.00 50.34 C ATOM 1263 OE1 GLU A 80 -8.394 -0.535 3.721 1.00 74.44 O ATOM 1264 OE2 GLU A 80 -9.887 -1.319 2.311 1.00 32.21 O ATOM 0 H GLU A 80 -5.717 -0.152 -1.038 1.00 11.51 H new ATOM 0 HA GLU A 80 -8.193 -0.216 0.560 1.00 13.14 H new ATOM 0 HB2 GLU A 80 -5.932 -1.974 0.862 1.00 62.14 H new ATOM 0 HB3 GLU A 80 -5.939 -0.862 2.217 1.00 62.14 H new ATOM 0 HG2 GLU A 80 -8.126 -2.778 1.372 1.00 64.11 H new ATOM 0 HG3 GLU A 80 -7.213 -2.777 2.868 1.00 64.11 H new ATOM 1271 N ILE A 81 -7.090 1.544 2.219 1.00 11.15 N ATOM 1272 CA ILE A 81 -6.710 2.821 2.809 1.00 12.53 C ATOM 1273 C ILE A 81 -6.179 2.635 4.227 1.00 2.31 C ATOM 1274 O ILE A 81 -6.810 1.981 5.057 1.00 61.52 O ATOM 1275 CB ILE A 81 -7.897 3.802 2.844 1.00 61.04 C ATOM 1276 CG1 ILE A 81 -8.581 3.856 1.475 1.00 21.40 C ATOM 1277 CG2 ILE A 81 -7.429 5.187 3.262 1.00 2.03 C ATOM 1278 CD1 ILE A 81 -7.696 4.404 0.379 1.00 65.13 C ATOM 0 H ILE A 81 -7.731 0.990 2.788 1.00 11.15 H new ATOM 0 HA ILE A 81 -5.924 3.237 2.179 1.00 12.53 H new ATOM 0 HB ILE A 81 -8.620 3.448 3.579 1.00 61.04 H new ATOM 0 HG12 ILE A 81 -8.906 2.853 1.201 1.00 21.40 H new ATOM 0 HG13 ILE A 81 -9.477 4.472 1.550 1.00 21.40 H new ATOM 0 HG21 ILE A 81 -8.280 5.868 3.282 1.00 2.03 H new ATOM 0 HG22 ILE A 81 -6.982 5.136 4.255 1.00 2.03 H new ATOM 0 HG23 ILE A 81 -6.689 5.551 2.549 1.00 2.03 H new ATOM 0 HD11 ILE A 81 -8.246 4.413 -0.562 1.00 65.13 H new ATOM 0 HD12 ILE A 81 -7.391 5.420 0.631 1.00 65.13 H new ATOM 0 HD13 ILE A 81 -6.812 3.775 0.277 1.00 65.13 H new ATOM 1290 N ILE A 82 -5.015 3.217 4.497 1.00 1.31 N ATOM 1291 CA ILE A 82 -4.400 3.118 5.815 1.00 63.33 C ATOM 1292 C ILE A 82 -5.157 3.957 6.839 1.00 61.11 C ATOM 1293 O ILE A 82 -5.440 5.131 6.608 1.00 74.42 O ATOM 1294 CB ILE A 82 -2.928 3.570 5.785 1.00 41.20 C ATOM 1295 CG1 ILE A 82 -2.191 2.903 4.621 1.00 2.51 C ATOM 1296 CG2 ILE A 82 -2.247 3.245 7.106 1.00 30.42 C ATOM 1297 CD1 ILE A 82 -0.752 3.351 4.482 1.00 34.11 C ATOM 0 H ILE A 82 -4.479 3.762 3.821 1.00 1.31 H new ATOM 0 HA ILE A 82 -4.443 2.068 6.105 1.00 63.33 H new ATOM 0 HB ILE A 82 -2.897 4.650 5.639 1.00 41.20 H new ATOM 0 HG12 ILE A 82 -2.215 1.822 4.758 1.00 2.51 H new ATOM 0 HG13 ILE A 82 -2.722 3.119 3.694 1.00 2.51 H new ATOM 0 HG21 ILE A 82 -1.207 3.570 7.069 1.00 30.42 H new ATOM 0 HG22 ILE A 82 -2.760 3.762 7.917 1.00 30.42 H new ATOM 0 HG23 ILE A 82 -2.285 2.170 7.280 1.00 30.42 H new ATOM 0 HD11 ILE A 82 -0.291 2.838 3.638 1.00 34.11 H new ATOM 0 HD12 ILE A 82 -0.721 4.427 4.314 1.00 34.11 H new ATOM 0 HD13 ILE A 82 -0.206 3.110 5.394 1.00 34.11 H new ATOM 1309 N ASN A 83 -5.480 3.345 7.975 1.00 52.14 N ATOM 1310 CA ASN A 83 -6.203 4.035 9.035 1.00 10.43 C ATOM 1311 C ASN A 83 -5.518 5.350 9.395 1.00 5.11 C ATOM 1312 O ASN A 83 -4.298 5.402 9.565 1.00 72.21 O ATOM 1313 CB ASN A 83 -6.305 3.145 10.276 1.00 44.22 C ATOM 1314 CG ASN A 83 -7.579 2.322 10.293 1.00 22.51 C ATOM 1315 OD1 ASN A 83 -8.381 2.419 11.222 1.00 22.31 O ATOM 1316 ND2 ASN A 83 -7.770 1.506 9.263 1.00 30.03 N ATOM 0 H ASN A 83 -5.252 2.373 8.184 1.00 52.14 H new ATOM 0 HA ASN A 83 -7.206 4.256 8.671 1.00 10.43 H new ATOM 0 HB2 ASN A 83 -5.444 2.478 10.313 1.00 44.22 H new ATOM 0 HB3 ASN A 83 -6.265 3.767 11.170 1.00 44.22 H new ATOM 0 HD21 ASN A 83 -8.609 0.927 9.220 1.00 30.03 H new ATOM 0 HD22 ASN A 83 -7.078 1.458 8.515 1.00 30.03 H new ATOM 1323 N THR A 84 -6.308 6.412 9.510 1.00 32.33 N ATOM 1324 CA THR A 84 -5.778 7.727 9.850 1.00 62.11 C ATOM 1325 C THR A 84 -4.905 7.663 11.097 1.00 62.30 C ATOM 1326 O THR A 84 -3.843 8.284 11.155 1.00 30.22 O ATOM 1327 CB THR A 84 -6.910 8.747 10.081 1.00 70.53 C ATOM 1328 OG1 THR A 84 -8.106 8.308 9.426 1.00 3.52 O ATOM 1329 CG2 THR A 84 -6.514 10.120 9.560 1.00 55.04 C ATOM 0 H THR A 84 -7.318 6.388 9.373 1.00 32.33 H new ATOM 0 HA THR A 84 -5.173 8.052 9.003 1.00 62.11 H new ATOM 0 HB THR A 84 -7.091 8.821 11.153 1.00 70.53 H new ATOM 0 HG1 THR A 84 -8.821 8.960 9.579 1.00 3.52 H new ATOM 0 HG21 THR A 84 -7.328 10.824 9.734 1.00 55.04 H new ATOM 0 HG22 THR A 84 -5.620 10.463 10.081 1.00 55.04 H new ATOM 0 HG23 THR A 84 -6.309 10.058 8.491 1.00 55.04 H new ATOM 1337 N ILE A 85 -5.358 6.908 12.093 1.00 3.21 N ATOM 1338 CA ILE A 85 -4.615 6.762 13.338 1.00 11.43 C ATOM 1339 C ILE A 85 -3.287 6.051 13.107 1.00 45.42 C ATOM 1340 O ILE A 85 -2.253 6.458 13.638 1.00 65.31 O ATOM 1341 CB ILE A 85 -5.426 5.980 14.389 1.00 72.10 C ATOM 1342 CG1 ILE A 85 -6.843 6.548 14.497 1.00 11.34 C ATOM 1343 CG2 ILE A 85 -4.727 6.025 15.739 1.00 32.31 C ATOM 1344 CD1 ILE A 85 -7.897 5.671 13.859 1.00 25.31 C ATOM 0 H ILE A 85 -6.235 6.389 12.061 1.00 3.21 H new ATOM 0 HA ILE A 85 -4.425 7.768 13.711 1.00 11.43 H new ATOM 0 HB ILE A 85 -5.495 4.939 14.073 1.00 72.10 H new ATOM 0 HG12 ILE A 85 -7.089 6.690 15.549 1.00 11.34 H new ATOM 0 HG13 ILE A 85 -6.868 7.532 14.028 1.00 11.34 H new ATOM 0 HG21 ILE A 85 -5.312 5.468 16.471 1.00 32.31 H new ATOM 0 HG22 ILE A 85 -3.737 5.578 15.651 1.00 32.31 H new ATOM 0 HG23 ILE A 85 -4.630 7.061 16.064 1.00 32.31 H new ATOM 0 HD11 ILE A 85 -8.876 6.136 13.974 1.00 25.31 H new ATOM 0 HD12 ILE A 85 -7.676 5.549 12.799 1.00 25.31 H new ATOM 0 HD13 ILE A 85 -7.900 4.695 14.344 1.00 25.31 H new ATOM 1356 N ASP A 86 -3.321 4.990 12.309 1.00 24.35 N ATOM 1357 CA ASP A 86 -2.118 4.224 12.004 1.00 15.12 C ATOM 1358 C ASP A 86 -1.100 5.083 11.261 1.00 51.11 C ATOM 1359 O ASP A 86 -0.018 5.366 11.775 1.00 22.41 O ATOM 1360 CB ASP A 86 -2.471 2.992 11.168 1.00 0.12 C ATOM 1361 CG ASP A 86 -3.089 1.886 12.000 1.00 73.23 C ATOM 1362 OD1 ASP A 86 -2.926 1.913 13.238 1.00 50.52 O ATOM 1363 OD2 ASP A 86 -3.735 0.992 11.413 1.00 2.24 O ATOM 0 H ASP A 86 -4.168 4.640 11.861 1.00 24.35 H new ATOM 0 HA ASP A 86 -1.675 3.900 12.946 1.00 15.12 H new ATOM 0 HB2 ASP A 86 -3.165 3.279 10.378 1.00 0.12 H new ATOM 0 HB3 ASP A 86 -1.571 2.617 10.681 1.00 0.12 H new ATOM 1368 N TYR A 87 -1.454 5.495 10.048 1.00 21.11 N ATOM 1369 CA TYR A 87 -0.570 6.320 9.233 1.00 34.21 C ATOM 1370 C TYR A 87 -0.209 7.612 9.958 1.00 53.30 C ATOM 1371 O TYR A 87 0.874 8.163 9.766 1.00 43.24 O ATOM 1372 CB TYR A 87 -1.231 6.640 7.892 1.00 55.54 C ATOM 1373 CG TYR A 87 -0.337 7.408 6.945 1.00 55.25 C ATOM 1374 CD1 TYR A 87 0.586 6.749 6.141 1.00 35.10 C ATOM 1375 CD2 TYR A 87 -0.416 8.792 6.852 1.00 41.44 C ATOM 1376 CE1 TYR A 87 1.405 7.447 5.275 1.00 64.30 C ATOM 1377 CE2 TYR A 87 0.398 9.497 5.986 1.00 10.42 C ATOM 1378 CZ TYR A 87 1.307 8.821 5.201 1.00 62.31 C ATOM 1379 OH TYR A 87 2.121 9.518 4.338 1.00 1.44 O ATOM 0 H TYR A 87 -2.347 5.271 9.608 1.00 21.11 H new ATOM 0 HA TYR A 87 0.347 5.759 9.053 1.00 34.21 H new ATOM 0 HB2 TYR A 87 -1.536 5.708 7.415 1.00 55.54 H new ATOM 0 HB3 TYR A 87 -2.137 7.218 8.072 1.00 55.54 H new ATOM 0 HD1 TYR A 87 0.664 5.673 6.194 1.00 35.10 H new ATOM 0 HD2 TYR A 87 -1.126 9.326 7.467 1.00 41.44 H new ATOM 0 HE1 TYR A 87 2.118 6.920 4.659 1.00 64.30 H new ATOM 0 HE2 TYR A 87 0.322 10.573 5.925 1.00 10.42 H new ATOM 0 HH TYR A 87 1.614 9.763 3.536 1.00 1.44 H new ATOM 1389 N GLY A 88 -1.127 8.092 10.793 1.00 72.22 N ATOM 1390 CA GLY A 88 -0.888 9.315 11.534 1.00 52.53 C ATOM 1391 C GLY A 88 0.235 9.173 12.542 1.00 52.10 C ATOM 1392 O GLY A 88 1.167 9.978 12.564 1.00 65.14 O ATOM 0 H GLY A 88 -2.032 7.655 10.968 1.00 72.22 H new ATOM 0 HA2 GLY A 88 -0.647 10.117 10.837 1.00 52.53 H new ATOM 0 HA3 GLY A 88 -1.802 9.607 12.052 1.00 52.53 H new ATOM 1396 N THR A 89 0.147 8.147 13.383 1.00 73.04 N ATOM 1397 CA THR A 89 1.161 7.903 14.400 1.00 63.41 C ATOM 1398 C THR A 89 2.194 6.891 13.916 1.00 74.13 C ATOM 1399 O THR A 89 2.926 6.307 14.715 1.00 41.14 O ATOM 1400 CB THR A 89 0.533 7.392 15.709 1.00 33.44 C ATOM 1401 OG1 THR A 89 1.526 7.329 16.739 1.00 4.15 O ATOM 1402 CG2 THR A 89 -0.086 6.016 15.511 1.00 22.12 C ATOM 0 H THR A 89 -0.617 7.471 13.379 1.00 73.04 H new ATOM 0 HA THR A 89 1.653 8.857 14.590 1.00 63.41 H new ATOM 0 HB THR A 89 -0.252 8.088 16.004 1.00 33.44 H new ATOM 0 HG1 THR A 89 2.352 6.947 16.374 1.00 4.15 H new ATOM 0 HG21 THR A 89 -0.524 5.675 16.449 1.00 22.12 H new ATOM 0 HG22 THR A 89 -0.862 6.073 14.748 1.00 22.12 H new ATOM 0 HG23 THR A 89 0.684 5.313 15.193 1.00 22.12 H new ATOM 1410 N MET A 90 2.246 6.687 12.604 1.00 43.33 N ATOM 1411 CA MET A 90 3.191 5.747 12.013 1.00 31.32 C ATOM 1412 C MET A 90 2.945 4.333 12.530 1.00 13.05 C ATOM 1413 O MET A 90 3.357 3.986 13.637 1.00 72.12 O ATOM 1414 CB MET A 90 4.628 6.172 12.322 1.00 34.01 C ATOM 1415 CG MET A 90 4.912 7.631 12.003 1.00 34.00 C ATOM 1416 SD MET A 90 6.164 7.830 10.722 1.00 42.11 S ATOM 1417 CE MET A 90 5.291 7.194 9.292 1.00 24.54 C ATOM 0 H MET A 90 1.645 7.160 11.930 1.00 43.33 H new ATOM 0 HA MET A 90 3.043 5.752 10.933 1.00 31.32 H new ATOM 0 HB2 MET A 90 4.832 5.993 13.378 1.00 34.01 H new ATOM 0 HB3 MET A 90 5.314 5.544 11.754 1.00 34.01 H new ATOM 0 HG2 MET A 90 3.990 8.115 11.682 1.00 34.00 H new ATOM 0 HG3 MET A 90 5.241 8.140 12.909 1.00 34.00 H new ATOM 0 HE1 MET A 90 5.683 6.210 9.034 1.00 24.54 H new ATOM 0 HE2 MET A 90 4.228 7.113 9.521 1.00 24.54 H new ATOM 0 HE3 MET A 90 5.430 7.872 8.450 1.00 24.54 H new ATOM 1427 N ASN A 91 2.269 3.521 11.723 1.00 21.22 N ATOM 1428 CA ASN A 91 1.967 2.145 12.100 1.00 31.34 C ATOM 1429 C ASN A 91 2.373 1.176 10.994 1.00 21.32 C ATOM 1430 O ASN A 91 1.548 0.772 10.176 1.00 63.04 O ATOM 1431 CB ASN A 91 0.475 1.994 12.405 1.00 62.31 C ATOM 1432 CG ASN A 91 0.213 1.021 13.539 1.00 73.44 C ATOM 1433 OD1 ASN A 91 -0.591 1.291 14.430 1.00 0.32 O ATOM 1434 ND2 ASN A 91 0.892 -0.120 13.507 1.00 31.42 N ATOM 0 H ASN A 91 1.920 3.792 10.804 1.00 21.22 H new ATOM 0 HA ASN A 91 2.540 1.906 12.996 1.00 31.34 H new ATOM 0 HB2 ASN A 91 0.059 2.968 12.662 1.00 62.31 H new ATOM 0 HB3 ASN A 91 -0.044 1.652 11.509 1.00 62.31 H new ATOM 0 HD21 ASN A 91 0.757 -0.815 14.241 1.00 31.42 H new ATOM 0 HD22 ASN A 91 1.549 -0.301 12.748 1.00 31.42 H new ATOM 1441 N GLY A 92 3.650 0.807 10.977 1.00 12.32 N ATOM 1442 CA GLY A 92 4.143 -0.112 9.968 1.00 2.54 C ATOM 1443 C GLY A 92 3.435 -1.451 10.007 1.00 32.50 C ATOM 1444 O GLY A 92 3.014 -1.967 8.973 1.00 74.20 O ATOM 0 H GLY A 92 4.352 1.128 11.644 1.00 12.32 H new ATOM 0 HA2 GLY A 92 4.016 0.334 8.982 1.00 2.54 H new ATOM 0 HA3 GLY A 92 5.212 -0.266 10.113 1.00 2.54 H new ATOM 1448 N GLU A 93 3.304 -2.015 11.204 1.00 70.01 N ATOM 1449 CA GLU A 93 2.642 -3.305 11.372 1.00 44.43 C ATOM 1450 C GLU A 93 1.272 -3.304 10.703 1.00 52.41 C ATOM 1451 O GLU A 93 0.917 -4.239 9.984 1.00 63.21 O ATOM 1452 CB GLU A 93 2.497 -3.638 12.858 1.00 63.32 C ATOM 1453 CG GLU A 93 2.002 -5.051 13.119 1.00 3.11 C ATOM 1454 CD GLU A 93 1.680 -5.295 14.580 1.00 72.20 C ATOM 1455 OE1 GLU A 93 1.385 -4.314 15.294 1.00 54.31 O ATOM 1456 OE2 GLU A 93 1.725 -6.466 15.010 1.00 34.23 O ATOM 0 H GLU A 93 3.647 -1.600 12.071 1.00 70.01 H new ATOM 0 HA GLU A 93 3.259 -4.067 10.895 1.00 44.43 H new ATOM 0 HB2 GLU A 93 3.461 -3.504 13.348 1.00 63.32 H new ATOM 0 HB3 GLU A 93 1.806 -2.930 13.315 1.00 63.32 H new ATOM 0 HG2 GLU A 93 1.111 -5.237 12.519 1.00 3.11 H new ATOM 0 HG3 GLU A 93 2.760 -5.764 12.794 1.00 3.11 H new ATOM 1463 N LYS A 94 0.503 -2.248 10.944 1.00 11.30 N ATOM 1464 CA LYS A 94 -0.830 -2.122 10.366 1.00 70.20 C ATOM 1465 C LYS A 94 -0.755 -1.990 8.848 1.00 0.13 C ATOM 1466 O LYS A 94 -1.517 -2.627 8.121 1.00 44.14 O ATOM 1467 CB LYS A 94 -1.555 -0.911 10.958 1.00 25.11 C ATOM 1468 CG LYS A 94 -1.973 -1.101 12.406 1.00 23.41 C ATOM 1469 CD LYS A 94 -3.376 -1.672 12.511 1.00 60.22 C ATOM 1470 CE LYS A 94 -4.028 -1.309 13.836 1.00 60.30 C ATOM 1471 NZ LYS A 94 -5.107 -2.268 14.205 1.00 50.52 N ATOM 0 H LYS A 94 0.780 -1.466 11.537 1.00 11.30 H new ATOM 0 HA LYS A 94 -1.389 -3.026 10.608 1.00 70.20 H new ATOM 0 HB2 LYS A 94 -0.905 -0.039 10.888 1.00 25.11 H new ATOM 0 HB3 LYS A 94 -2.440 -0.699 10.358 1.00 25.11 H new ATOM 0 HG2 LYS A 94 -1.270 -1.768 12.904 1.00 23.41 H new ATOM 0 HG3 LYS A 94 -1.929 -0.145 12.927 1.00 23.41 H new ATOM 0 HD2 LYS A 94 -3.985 -1.296 11.689 1.00 60.22 H new ATOM 0 HD3 LYS A 94 -3.337 -2.756 12.408 1.00 60.22 H new ATOM 0 HE2 LYS A 94 -3.272 -1.294 14.621 1.00 60.30 H new ATOM 0 HE3 LYS A 94 -4.442 -0.303 13.773 1.00 60.30 H new ATOM 0 HZ1 LYS A 94 -5.526 -1.986 15.114 1.00 50.52 H new ATOM 0 HZ2 LYS A 94 -5.842 -2.264 13.469 1.00 50.52 H new ATOM 0 HZ3 LYS A 94 -4.707 -3.224 14.290 1.00 50.52 H new ATOM 1485 N VAL A 95 0.171 -1.161 8.376 1.00 41.31 N ATOM 1486 CA VAL A 95 0.348 -0.947 6.945 1.00 63.33 C ATOM 1487 C VAL A 95 0.557 -2.269 6.214 1.00 42.00 C ATOM 1488 O VAL A 95 -0.249 -2.657 5.367 1.00 52.24 O ATOM 1489 CB VAL A 95 1.544 -0.021 6.659 1.00 2.33 C ATOM 1490 CG1 VAL A 95 1.740 0.153 5.160 1.00 20.32 C ATOM 1491 CG2 VAL A 95 1.349 1.326 7.339 1.00 11.11 C ATOM 0 H VAL A 95 0.810 -0.627 8.964 1.00 41.31 H new ATOM 0 HA VAL A 95 -0.564 -0.473 6.581 1.00 63.33 H new ATOM 0 HB VAL A 95 2.443 -0.482 7.067 1.00 2.33 H new ATOM 0 HG11 VAL A 95 2.590 0.811 4.978 1.00 20.32 H new ATOM 0 HG12 VAL A 95 1.928 -0.818 4.703 1.00 20.32 H new ATOM 0 HG13 VAL A 95 0.842 0.591 4.724 1.00 20.32 H new ATOM 0 HG21 VAL A 95 2.204 1.968 7.126 1.00 11.11 H new ATOM 0 HG22 VAL A 95 0.440 1.795 6.963 1.00 11.11 H new ATOM 0 HG23 VAL A 95 1.263 1.181 8.416 1.00 11.11 H new ATOM 1501 N LEU A 96 1.644 -2.956 6.546 1.00 32.43 N ATOM 1502 CA LEU A 96 1.959 -4.237 5.922 1.00 3.33 C ATOM 1503 C LEU A 96 0.823 -5.234 6.120 1.00 61.11 C ATOM 1504 O LEU A 96 0.425 -5.929 5.185 1.00 63.51 O ATOM 1505 CB LEU A 96 3.257 -4.804 6.503 1.00 51.55 C ATOM 1506 CG LEU A 96 3.355 -4.829 8.028 1.00 54.14 C ATOM 1507 CD1 LEU A 96 3.080 -6.228 8.556 1.00 12.02 C ATOM 1508 CD2 LEU A 96 4.724 -4.345 8.483 1.00 60.13 C ATOM 0 H LEU A 96 2.322 -2.648 7.243 1.00 32.43 H new ATOM 0 HA LEU A 96 2.088 -4.070 4.853 1.00 3.33 H new ATOM 0 HB2 LEU A 96 3.382 -5.822 6.134 1.00 51.55 H new ATOM 0 HB3 LEU A 96 4.091 -4.219 6.115 1.00 51.55 H new ATOM 0 HG LEU A 96 2.601 -4.154 8.433 1.00 54.14 H new ATOM 0 HD11 LEU A 96 3.154 -6.228 9.643 1.00 12.02 H new ATOM 0 HD12 LEU A 96 2.078 -6.538 8.261 1.00 12.02 H new ATOM 0 HD13 LEU A 96 3.811 -6.923 8.143 1.00 12.02 H new ATOM 0 HD21 LEU A 96 4.775 -4.370 9.572 1.00 60.13 H new ATOM 0 HD22 LEU A 96 5.496 -4.994 8.069 1.00 60.13 H new ATOM 0 HD23 LEU A 96 4.883 -3.324 8.135 1.00 60.13 H new ATOM 1520 N GLN A 97 0.303 -5.297 7.341 1.00 31.41 N ATOM 1521 CA GLN A 97 -0.790 -6.209 7.660 1.00 0.32 C ATOM 1522 C GLN A 97 -1.961 -6.010 6.704 1.00 2.41 C ATOM 1523 O GLN A 97 -2.493 -6.971 6.148 1.00 61.31 O ATOM 1524 CB GLN A 97 -1.252 -5.999 9.103 1.00 43.23 C ATOM 1525 CG GLN A 97 -0.446 -6.790 10.121 1.00 74.55 C ATOM 1526 CD GLN A 97 -1.021 -8.171 10.374 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -1.672 -8.407 11.392 1.00 62.42 O ATOM 1528 NE2 GLN A 97 -0.783 -9.091 9.446 1.00 14.52 N ATOM 0 H GLN A 97 0.620 -4.728 8.126 1.00 31.41 H new ATOM 0 HA GLN A 97 -0.423 -7.229 7.548 1.00 0.32 H new ATOM 0 HB2 GLN A 97 -1.187 -4.938 9.346 1.00 43.23 H new ATOM 0 HB3 GLN A 97 -2.302 -6.281 9.184 1.00 43.23 H new ATOM 0 HG2 GLN A 97 0.581 -6.887 9.770 1.00 74.55 H new ATOM 0 HG3 GLN A 97 -0.411 -6.237 11.060 1.00 74.55 H new ATOM 0 HE21 GLN A 97 -0.238 -8.851 8.618 1.00 14.52 H new ATOM 0 HE22 GLN A 97 -1.145 -10.038 9.562 1.00 14.52 H new ATOM 1537 N LEU A 98 -2.359 -4.756 6.518 1.00 52.41 N ATOM 1538 CA LEU A 98 -3.469 -4.430 5.629 1.00 51.24 C ATOM 1539 C LEU A 98 -3.156 -4.840 4.194 1.00 64.14 C ATOM 1540 O LEU A 98 -3.965 -5.489 3.532 1.00 33.31 O ATOM 1541 CB LEU A 98 -3.773 -2.932 5.689 1.00 63.23 C ATOM 1542 CG LEU A 98 -5.188 -2.518 5.283 1.00 1.24 C ATOM 1543 CD1 LEU A 98 -6.212 -3.108 6.240 1.00 73.42 C ATOM 1544 CD2 LEU A 98 -5.308 -1.001 5.241 1.00 34.33 C ATOM 0 H LEU A 98 -1.930 -3.949 6.971 1.00 52.41 H new ATOM 0 HA LEU A 98 -4.345 -4.986 5.963 1.00 51.24 H new ATOM 0 HB2 LEU A 98 -3.592 -2.585 6.706 1.00 63.23 H new ATOM 0 HB3 LEU A 98 -3.065 -2.412 5.044 1.00 63.23 H new ATOM 0 HG LEU A 98 -5.387 -2.907 4.284 1.00 1.24 H new ATOM 0 HD11 LEU A 98 -7.213 -2.803 5.935 1.00 73.42 H new ATOM 0 HD12 LEU A 98 -6.143 -4.196 6.221 1.00 73.42 H new ATOM 0 HD13 LEU A 98 -6.015 -2.749 7.250 1.00 73.42 H new ATOM 0 HD21 LEU A 98 -6.321 -0.724 4.950 1.00 34.33 H new ATOM 0 HD22 LEU A 98 -5.089 -0.591 6.227 1.00 34.33 H new ATOM 0 HD23 LEU A 98 -4.600 -0.600 4.516 1.00 34.33 H new ATOM 1556 N ALA A 99 -1.975 -4.457 3.719 1.00 62.25 N ATOM 1557 CA ALA A 99 -1.553 -4.789 2.363 1.00 65.01 C ATOM 1558 C ALA A 99 -1.702 -6.282 2.091 1.00 34.03 C ATOM 1559 O ALA A 99 -2.382 -6.685 1.146 1.00 2.02 O ATOM 1560 CB ALA A 99 -0.113 -4.351 2.137 1.00 24.20 C ATOM 0 H ALA A 99 -1.294 -3.917 4.253 1.00 62.25 H new ATOM 0 HA ALA A 99 -2.199 -4.254 1.667 1.00 65.01 H new ATOM 0 HB1 ALA A 99 0.189 -4.605 1.121 1.00 24.20 H new ATOM 0 HB2 ALA A 99 -0.034 -3.273 2.281 1.00 24.20 H new ATOM 0 HB3 ALA A 99 0.538 -4.861 2.847 1.00 24.20 H new ATOM 1566 N ILE A 100 -1.065 -7.098 2.924 1.00 42.55 N ATOM 1567 CA ILE A 100 -1.128 -8.546 2.773 1.00 53.14 C ATOM 1568 C ILE A 100 -2.569 -9.041 2.825 1.00 34.04 C ATOM 1569 O ILE A 100 -2.990 -9.845 1.995 1.00 51.13 O ATOM 1570 CB ILE A 100 -0.310 -9.262 3.863 1.00 24.54 C ATOM 1571 CG1 ILE A 100 1.147 -8.794 3.828 1.00 32.55 C ATOM 1572 CG2 ILE A 100 -0.392 -10.771 3.682 1.00 41.13 C ATOM 1573 CD1 ILE A 100 1.947 -9.220 5.040 1.00 32.51 C ATOM 0 H ILE A 100 -0.499 -6.780 3.711 1.00 42.55 H new ATOM 0 HA ILE A 100 -0.701 -8.781 1.798 1.00 53.14 H new ATOM 0 HB ILE A 100 -0.730 -9.009 4.837 1.00 24.54 H new ATOM 0 HG12 ILE A 100 1.625 -9.187 2.931 1.00 32.55 H new ATOM 0 HG13 ILE A 100 1.169 -7.707 3.751 1.00 32.55 H new ATOM 0 HG21 ILE A 100 0.191 -11.263 4.460 1.00 41.13 H new ATOM 0 HG22 ILE A 100 -1.432 -11.090 3.752 1.00 41.13 H new ATOM 0 HG23 ILE A 100 0.006 -11.042 2.704 1.00 41.13 H new ATOM 0 HD11 ILE A 100 2.970 -8.854 4.948 1.00 32.51 H new ATOM 0 HD12 ILE A 100 1.493 -8.805 5.940 1.00 32.51 H new ATOM 0 HD13 ILE A 100 1.956 -10.308 5.106 1.00 32.51 H new ATOM 1585 N ASN A 101 -3.321 -8.555 3.808 1.00 41.31 N ATOM 1586 CA ASN A 101 -4.716 -8.947 3.969 1.00 53.43 C ATOM 1587 C ASN A 101 -5.486 -8.766 2.664 1.00 74.33 C ATOM 1588 O ASN A 101 -6.173 -9.679 2.206 1.00 53.42 O ATOM 1589 CB ASN A 101 -5.373 -8.126 5.080 1.00 74.10 C ATOM 1590 CG ASN A 101 -5.875 -8.992 6.219 1.00 13.12 C ATOM 1591 OD1 ASN A 101 -5.207 -9.939 6.634 1.00 73.14 O ATOM 1592 ND2 ASN A 101 -7.057 -8.670 6.731 1.00 52.14 N ATOM 0 H ASN A 101 -2.987 -7.889 4.505 1.00 41.31 H new ATOM 0 HA ASN A 101 -4.742 -10.002 4.242 1.00 53.43 H new ATOM 0 HB2 ASN A 101 -4.655 -7.403 5.466 1.00 74.10 H new ATOM 0 HB3 ASN A 101 -6.206 -7.558 4.665 1.00 74.10 H new ATOM 0 HD21 ASN A 101 -7.446 -9.216 7.500 1.00 52.14 H new ATOM 0 HD22 ASN A 101 -7.576 -7.876 6.356 1.00 52.14 H new ATOM 1599 N ALA A 102 -5.364 -7.583 2.070 1.00 34.22 N ATOM 1600 CA ALA A 102 -6.046 -7.284 0.817 1.00 14.11 C ATOM 1601 C ALA A 102 -5.492 -8.127 -0.325 1.00 21.21 C ATOM 1602 O ALA A 102 -6.223 -8.518 -1.235 1.00 55.00 O ATOM 1603 CB ALA A 102 -5.923 -5.803 0.491 1.00 44.33 C ATOM 0 H ALA A 102 -4.799 -6.817 2.436 1.00 34.22 H new ATOM 0 HA ALA A 102 -7.100 -7.533 0.937 1.00 14.11 H new ATOM 0 HB1 ALA A 102 -6.437 -5.593 -0.447 1.00 44.33 H new ATOM 0 HB2 ALA A 102 -6.374 -5.216 1.291 1.00 44.33 H new ATOM 0 HB3 ALA A 102 -4.870 -5.538 0.395 1.00 44.33 H new ATOM 1609 N PHE A 103 -4.193 -8.406 -0.272 1.00 51.45 N ATOM 1610 CA PHE A 103 -3.539 -9.203 -1.305 1.00 12.44 C ATOM 1611 C PHE A 103 -4.171 -10.588 -1.403 1.00 63.24 C ATOM 1612 O PHE A 103 -4.547 -11.034 -2.486 1.00 21.23 O ATOM 1613 CB PHE A 103 -2.044 -9.331 -1.008 1.00 65.44 C ATOM 1614 CG PHE A 103 -1.304 -10.168 -2.012 1.00 74.13 C ATOM 1615 CD1 PHE A 103 -1.043 -9.681 -3.282 1.00 42.55 C ATOM 1616 CD2 PHE A 103 -0.871 -11.443 -1.685 1.00 23.21 C ATOM 1617 CE1 PHE A 103 -0.362 -10.448 -4.209 1.00 23.42 C ATOM 1618 CE2 PHE A 103 -0.189 -12.215 -2.607 1.00 22.42 C ATOM 1619 CZ PHE A 103 0.065 -11.718 -3.870 1.00 51.01 C ATOM 0 H PHE A 103 -3.573 -8.092 0.475 1.00 51.45 H new ATOM 0 HA PHE A 103 -3.670 -8.695 -2.260 1.00 12.44 H new ATOM 0 HB2 PHE A 103 -1.601 -8.336 -0.979 1.00 65.44 H new ATOM 0 HB3 PHE A 103 -1.914 -9.767 -0.017 1.00 65.44 H new ATOM 0 HD1 PHE A 103 -1.376 -8.690 -3.552 1.00 42.55 H new ATOM 0 HD2 PHE A 103 -1.068 -11.838 -0.699 1.00 23.21 H new ATOM 0 HE1 PHE A 103 -0.164 -10.056 -5.196 1.00 23.42 H new ATOM 0 HE2 PHE A 103 0.145 -13.207 -2.340 1.00 22.42 H new ATOM 0 HZ PHE A 103 0.596 -12.321 -4.592 1.00 51.01 H new ATOM 1629 N ASN A 104 -4.283 -11.263 -0.264 1.00 24.03 N ATOM 1630 CA ASN A 104 -4.868 -12.598 -0.221 1.00 65.50 C ATOM 1631 C ASN A 104 -6.390 -12.528 -0.277 1.00 72.23 C ATOM 1632 O ASN A 104 -7.051 -13.475 -0.703 1.00 63.13 O ATOM 1633 CB ASN A 104 -4.426 -13.331 1.048 1.00 42.11 C ATOM 1634 CG ASN A 104 -4.771 -12.562 2.309 1.00 61.01 C ATOM 1635 OD1 ASN A 104 -5.936 -12.260 2.565 1.00 35.30 O ATOM 1636 ND2 ASN A 104 -3.755 -12.243 3.102 1.00 13.41 N ATOM 0 H ASN A 104 -3.976 -10.908 0.642 1.00 24.03 H new ATOM 0 HA ASN A 104 -4.516 -13.149 -1.093 1.00 65.50 H new ATOM 0 HB2 ASN A 104 -4.901 -14.312 1.082 1.00 42.11 H new ATOM 0 HB3 ASN A 104 -3.350 -13.499 1.011 1.00 42.11 H new ATOM 0 HD21 ASN A 104 -3.924 -11.726 3.965 1.00 13.41 H new ATOM 0 HD22 ASN A 104 -2.805 -12.515 2.848 1.00 13.41 H new ATOM 1643 N ASN A 105 -6.941 -11.398 0.156 1.00 33.52 N ATOM 1644 CA ASN A 105 -8.386 -11.204 0.155 1.00 33.22 C ATOM 1645 C ASN A 105 -8.928 -11.157 -1.271 1.00 32.43 C ATOM 1646 O ASN A 105 -9.953 -11.767 -1.578 1.00 23.31 O ATOM 1647 CB ASN A 105 -8.748 -9.913 0.893 1.00 10.12 C ATOM 1648 CG ASN A 105 -10.237 -9.627 0.860 1.00 13.21 C ATOM 1649 OD1 ASN A 105 -11.058 -10.535 0.987 1.00 53.31 O ATOM 1650 ND2 ASN A 105 -10.592 -8.358 0.689 1.00 72.24 N ATOM 0 H ASN A 105 -6.409 -10.604 0.512 1.00 33.52 H new ATOM 0 HA ASN A 105 -8.842 -12.050 0.670 1.00 33.22 H new ATOM 0 HB2 ASN A 105 -8.417 -9.985 1.929 1.00 10.12 H new ATOM 0 HB3 ASN A 105 -8.210 -9.078 0.444 1.00 10.12 H new ATOM 0 HD21 ASN A 105 -11.579 -8.104 0.659 1.00 72.24 H new ATOM 0 HD22 ASN A 105 -9.877 -7.638 0.588 1.00 72.24 H new ATOM 1657 N LYS A 106 -8.234 -10.430 -2.138 1.00 42.24 N ATOM 1658 CA LYS A 106 -8.641 -10.304 -3.532 1.00 14.14 C ATOM 1659 C LYS A 106 -10.077 -9.795 -3.635 1.00 24.01 C ATOM 1660 O LYS A 106 -10.960 -10.496 -4.129 1.00 4.21 O ATOM 1661 CB LYS A 106 -8.515 -11.652 -4.245 1.00 41.24 C ATOM 1662 CG LYS A 106 -7.126 -11.918 -4.800 1.00 53.12 C ATOM 1663 CD LYS A 106 -6.874 -11.129 -6.074 1.00 53.32 C ATOM 1664 CE LYS A 106 -5.863 -11.826 -6.972 1.00 32.32 C ATOM 1665 NZ LYS A 106 -5.655 -11.091 -8.249 1.00 13.40 N ATOM 0 H LYS A 106 -7.385 -9.918 -1.900 1.00 42.24 H new ATOM 0 HA LYS A 106 -7.982 -9.582 -4.014 1.00 14.14 H new ATOM 0 HB2 LYS A 106 -8.778 -12.448 -3.548 1.00 41.24 H new ATOM 0 HB3 LYS A 106 -9.237 -11.691 -5.061 1.00 41.24 H new ATOM 0 HG2 LYS A 106 -6.378 -11.653 -4.053 1.00 53.12 H new ATOM 0 HG3 LYS A 106 -7.012 -12.983 -5.002 1.00 53.12 H new ATOM 0 HD2 LYS A 106 -7.812 -10.998 -6.614 1.00 53.32 H new ATOM 0 HD3 LYS A 106 -6.511 -10.133 -5.820 1.00 53.32 H new ATOM 0 HE2 LYS A 106 -4.912 -11.917 -6.446 1.00 32.32 H new ATOM 0 HE3 LYS A 106 -6.206 -12.838 -7.187 1.00 32.32 H new ATOM 0 HZ1 LYS A 106 -4.959 -11.598 -8.832 1.00 13.40 H new ATOM 0 HZ2 LYS A 106 -6.557 -11.026 -8.763 1.00 13.40 H new ATOM 0 HZ3 LYS A 106 -5.303 -10.134 -8.045 1.00 13.40 H new