USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 872 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 105 HIS : no HE2:sc= -1.31 K(o=-1.4,f=-3.9!) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.114 K(o=-1.4,f=-1.9) USER MOD Set 2.1: A 86 ASN : amide:sc= 0.0836 K(o=0.33,f=-0.78) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 149:sc= 0.249 (180deg=-0.0974) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.73) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.27) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0252 (180deg=-0.32) USER MOD Single : A 14 ASN : amide:sc= -3.98 K(o=-4,f=-9.3!) USER MOD Single : A 16 GLN : amide:sc= -0.0488 K(o=-0.049,f=-1.5) USER MOD Single : A 19 ASN : amide:sc= -7.23! C(o=-7.2!,f=-6.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.25) USER MOD Single : A 30 ASN : amide:sc= -15! K(o=-15!,f=-9.9) USER MOD Single : A 31 THR OG1 : rot -64:sc= 0.78 USER MOD Single : A 32 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.6) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00115 USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.082 (180deg=-1.04) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.3!) USER MOD Single : A 63 GLN : amide:sc= -0.0186 K(o=-0.019,f=-3.3!) USER MOD Single : A 66 SER OG : rot -165:sc= 0.774 USER MOD Single : A 67 TYR OH : rot 100:sc= 0.426 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.96! C(o=-2!,f=-2.9!) USER MOD Single : A 84 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -80:sc= 0.881 USER MOD Single : A 90 SER OG : rot 180:sc= -0.552 USER MOD Single : A 93 LYS NZ :NH3+ -124:sc= 1.21 (180deg=-0.407) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 0.0109 K(o=0.011,f=-0.5) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.014) USER MOD Single : A 109 HIS : no HD1:sc= -0.0868 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.985 8.693 -16.743 1.00 0.00 N ATOM 2 CA MET A 1 -8.737 10.139 -16.993 1.00 0.00 C ATOM 3 C MET A 1 -9.248 10.961 -15.806 1.00 0.00 C ATOM 4 O MET A 1 -10.341 10.757 -15.315 1.00 0.00 O ATOM 5 CB MET A 1 -9.453 10.569 -18.279 1.00 0.00 C ATOM 6 CG MET A 1 -9.086 12.017 -18.609 1.00 0.00 C ATOM 7 SD MET A 1 -9.866 12.497 -20.173 1.00 0.00 S ATOM 8 CE MET A 1 -8.503 13.499 -20.819 1.00 0.00 C ATOM 0 H1 MET A 1 -8.637 8.137 -17.550 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.486 8.399 -15.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.006 8.531 -16.625 1.00 0.00 H new ATOM 0 HA MET A 1 -7.667 10.310 -17.108 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.168 9.914 -19.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.532 10.475 -18.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.416 12.679 -17.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.004 12.121 -18.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.777 13.900 -21.795 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.299 14.321 -20.133 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.612 12.880 -20.918 1.00 0.00 H new ATOM 20 N GLU A 2 -8.450 11.885 -15.344 1.00 0.00 N ATOM 21 CA GLU A 2 -8.851 12.736 -14.187 1.00 0.00 C ATOM 22 C GLU A 2 -9.182 11.856 -12.976 1.00 0.00 C ATOM 23 O GLU A 2 -10.284 11.881 -12.467 1.00 0.00 O ATOM 24 CB GLU A 2 -10.074 13.580 -14.560 1.00 0.00 C ATOM 25 CG GLU A 2 -10.229 14.725 -13.553 1.00 0.00 C ATOM 26 CD GLU A 2 -11.394 15.625 -13.971 1.00 0.00 C ATOM 27 OE1 GLU A 2 -11.400 16.065 -15.108 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.259 15.861 -13.143 1.00 0.00 O ATOM 0 H GLU A 2 -7.526 12.089 -15.724 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.022 13.396 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.960 13.980 -15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.970 12.960 -14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.407 14.323 -12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.308 15.306 -13.503 1.00 0.00 H new ATOM 35 N PRO A 3 -8.227 11.088 -12.515 1.00 0.00 N ATOM 36 CA PRO A 3 -8.414 10.191 -11.339 1.00 0.00 C ATOM 37 C PRO A 3 -8.512 10.972 -10.025 1.00 0.00 C ATOM 38 O PRO A 3 -8.094 12.108 -9.928 1.00 0.00 O ATOM 39 CB PRO A 3 -7.172 9.289 -11.361 1.00 0.00 C ATOM 40 CG PRO A 3 -6.123 10.100 -12.055 1.00 0.00 C ATOM 41 CD PRO A 3 -6.861 10.991 -13.061 1.00 0.00 C ATOM 0 HA PRO A 3 -9.347 9.630 -11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.861 9.020 -10.352 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.369 8.358 -11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.562 10.703 -11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.405 9.455 -12.561 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.393 11.972 -13.144 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.860 10.552 -14.059 1.00 0.00 H new ATOM 49 N GLN A 4 -9.068 10.363 -9.018 1.00 0.00 N ATOM 50 CA GLN A 4 -9.211 11.054 -7.706 1.00 0.00 C ATOM 51 C GLN A 4 -7.896 10.967 -6.926 1.00 0.00 C ATOM 52 O GLN A 4 -7.420 9.897 -6.598 1.00 0.00 O ATOM 53 CB GLN A 4 -10.337 10.390 -6.906 1.00 0.00 C ATOM 54 CG GLN A 4 -10.278 8.871 -7.097 1.00 0.00 C ATOM 55 CD GLN A 4 -11.269 8.195 -6.151 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.531 7.016 -6.273 1.00 0.00 O ATOM 57 NE2 GLN A 4 -11.839 8.895 -5.209 1.00 0.00 N ATOM 0 H GLN A 4 -9.432 9.411 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.453 12.104 -7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.240 10.638 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.304 10.771 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.514 8.615 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.269 8.509 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.619 9.886 -5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.504 8.452 -4.576 1.00 0.00 H new ATOM 66 N LEU A 5 -7.299 12.091 -6.638 1.00 0.00 N ATOM 67 CA LEU A 5 -6.007 12.089 -5.893 1.00 0.00 C ATOM 68 C LEU A 5 -6.280 12.164 -4.396 1.00 0.00 C ATOM 69 O LEU A 5 -7.043 12.988 -3.936 1.00 0.00 O ATOM 70 CB LEU A 5 -5.181 13.307 -6.314 1.00 0.00 C ATOM 71 CG LEU A 5 -5.072 13.351 -7.841 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.186 14.528 -8.255 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.463 12.042 -8.357 1.00 0.00 C ATOM 0 H LEU A 5 -7.652 13.015 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.460 11.174 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.648 14.221 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.187 13.256 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.066 13.476 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.108 14.560 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.625 15.458 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.193 14.405 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.388 12.079 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.469 11.909 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.098 11.205 -8.066 1.00 0.00 H new ATOM 85 N THR A 6 -5.656 11.302 -3.634 1.00 0.00 N ATOM 86 CA THR A 6 -5.860 11.295 -2.151 1.00 0.00 C ATOM 87 C THR A 6 -4.513 11.469 -1.453 1.00 0.00 C ATOM 88 O THR A 6 -3.500 10.968 -1.900 1.00 0.00 O ATOM 89 CB THR A 6 -6.499 9.973 -1.737 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.751 9.835 -2.395 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.711 9.966 -0.223 1.00 0.00 C ATOM 0 H THR A 6 -5.007 10.595 -3.979 1.00 0.00 H new ATOM 0 HA THR A 6 -6.518 12.115 -1.863 1.00 0.00 H new ATOM 0 HB THR A 6 -5.848 9.144 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.166 8.986 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.168 9.023 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.750 10.080 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.366 10.791 0.056 1.00 0.00 H new ATOM 99 N LYS A 7 -4.495 12.196 -0.367 1.00 0.00 N ATOM 100 CA LYS A 7 -3.221 12.436 0.366 1.00 0.00 C ATOM 101 C LYS A 7 -3.057 11.419 1.498 1.00 0.00 C ATOM 102 O LYS A 7 -4.013 10.965 2.088 1.00 0.00 O ATOM 103 CB LYS A 7 -3.257 13.841 0.969 1.00 0.00 C ATOM 104 CG LYS A 7 -3.275 14.880 -0.153 1.00 0.00 C ATOM 105 CD LYS A 7 -3.354 16.287 0.446 1.00 0.00 C ATOM 106 CE LYS A 7 -3.453 17.317 -0.682 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.185 17.320 -1.467 1.00 0.00 N ATOM 0 H LYS A 7 -5.317 12.637 0.046 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.386 12.335 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.140 13.955 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.388 13.996 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.378 14.785 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.128 14.706 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.221 16.366 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.473 16.484 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.295 17.080 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.639 18.308 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.137 18.182 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.374 17.295 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.158 16.485 -2.086 1.00 0.00 H new ATOM 121 N ILE A 8 -1.846 11.044 1.781 1.00 0.00 N ATOM 122 CA ILE A 8 -1.595 10.041 2.857 1.00 0.00 C ATOM 123 C ILE A 8 -2.266 10.500 4.153 1.00 0.00 C ATOM 124 O ILE A 8 -2.928 9.737 4.827 1.00 0.00 O ATOM 125 CB ILE A 8 -0.082 9.934 3.091 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.632 9.673 1.756 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.214 8.789 4.060 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.031 8.443 1.065 1.00 0.00 C ATOM 0 H ILE A 8 -1.009 11.390 1.311 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.001 9.074 2.559 1.00 0.00 H new ATOM 0 HB ILE A 8 0.279 10.870 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.538 10.545 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.697 9.518 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.290 8.718 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.284 8.979 5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.152 7.852 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.546 8.269 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.148 7.571 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.029 8.614 0.875 1.00 0.00 H new ATOM 140 N VAL A 9 -2.099 11.742 4.496 1.00 0.00 N ATOM 141 CA VAL A 9 -2.724 12.275 5.742 1.00 0.00 C ATOM 142 C VAL A 9 -4.250 12.263 5.606 1.00 0.00 C ATOM 143 O VAL A 9 -4.971 12.453 6.566 1.00 0.00 O ATOM 144 CB VAL A 9 -2.239 13.708 5.973 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.748 14.613 4.849 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.763 14.222 7.316 1.00 0.00 C ATOM 0 H VAL A 9 -1.552 12.420 3.965 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.439 11.649 6.588 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.149 13.718 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.401 15.632 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.369 14.253 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.838 14.599 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.415 15.243 7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.853 14.207 7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.395 13.583 8.119 1.00 0.00 H new ATOM 156 N ASP A 10 -4.745 12.043 4.417 1.00 0.00 N ATOM 157 CA ASP A 10 -6.223 12.011 4.195 1.00 0.00 C ATOM 158 C ASP A 10 -6.700 10.557 4.145 1.00 0.00 C ATOM 159 O ASP A 10 -7.863 10.282 3.930 1.00 0.00 O ATOM 160 CB ASP A 10 -6.547 12.706 2.873 1.00 0.00 C ATOM 161 CG ASP A 10 -6.300 14.210 3.010 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.144 14.668 4.131 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.271 14.879 1.991 1.00 0.00 O ATOM 0 H ASP A 10 -4.184 11.882 3.581 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.730 12.527 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.928 12.297 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.586 12.521 2.598 1.00 0.00 H new ATOM 168 N ILE A 11 -5.805 9.623 4.350 1.00 0.00 N ATOM 169 CA ILE A 11 -6.196 8.184 4.321 1.00 0.00 C ATOM 170 C ILE A 11 -6.679 7.749 5.708 1.00 0.00 C ATOM 171 O ILE A 11 -5.941 7.782 6.671 1.00 0.00 O ATOM 172 CB ILE A 11 -4.985 7.337 3.910 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.617 7.640 2.451 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.312 5.848 4.059 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.329 6.897 2.071 1.00 0.00 C ATOM 0 H ILE A 11 -4.818 9.798 4.537 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.002 8.043 3.601 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.142 7.583 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.430 7.337 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.481 8.713 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.447 5.254 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.564 5.633 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.159 5.596 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.074 7.117 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.516 7.222 2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.480 5.824 2.188 1.00 0.00 H new ATOM 187 N VAL A 12 -7.911 7.321 5.808 1.00 0.00 N ATOM 188 CA VAL A 12 -8.446 6.860 7.124 1.00 0.00 C ATOM 189 C VAL A 12 -9.541 5.818 6.892 1.00 0.00 C ATOM 190 O VAL A 12 -10.224 5.416 7.811 1.00 0.00 O ATOM 191 CB VAL A 12 -9.004 8.052 7.911 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.849 8.978 8.295 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.011 8.830 7.053 1.00 0.00 C ATOM 0 H VAL A 12 -8.572 7.271 5.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.641 6.409 7.704 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.508 7.687 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.236 9.829 8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.135 8.432 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.352 9.333 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.400 9.674 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.516 9.197 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.834 8.173 6.771 1.00 0.00 H new ATOM 203 N GLU A 13 -9.703 5.370 5.668 1.00 0.00 N ATOM 204 CA GLU A 13 -10.743 4.336 5.364 1.00 0.00 C ATOM 205 C GLU A 13 -10.092 3.168 4.620 1.00 0.00 C ATOM 206 O GLU A 13 -9.485 3.338 3.580 1.00 0.00 O ATOM 207 CB GLU A 13 -11.836 4.962 4.497 1.00 0.00 C ATOM 208 CG GLU A 13 -12.950 3.939 4.279 1.00 0.00 C ATOM 209 CD GLU A 13 -14.089 4.584 3.491 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.104 5.800 3.397 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.930 3.851 2.996 1.00 0.00 O ATOM 0 H GLU A 13 -9.157 5.678 4.864 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.184 3.969 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.234 5.854 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.422 5.277 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.564 3.075 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.318 3.576 5.239 1.00 0.00 H new ATOM 218 N ASN A 14 -10.214 1.978 5.153 1.00 0.00 N ATOM 219 CA ASN A 14 -9.607 0.783 4.495 1.00 0.00 C ATOM 220 C ASN A 14 -10.563 0.223 3.439 1.00 0.00 C ATOM 221 O ASN A 14 -11.769 0.350 3.541 1.00 0.00 O ATOM 222 CB ASN A 14 -9.318 -0.289 5.555 1.00 0.00 C ATOM 223 CG ASN A 14 -9.009 -1.629 4.875 1.00 0.00 C ATOM 224 OD1 ASN A 14 -7.954 -1.804 4.298 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.899 -2.581 4.910 1.00 0.00 N ATOM 0 H ASN A 14 -10.712 1.783 6.022 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.676 1.074 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.474 0.017 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.176 -0.398 6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.710 -3.473 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.784 -2.434 5.394 1.00 0.00 H new ATOM 232 N GLY A 15 -10.022 -0.410 2.429 1.00 0.00 N ATOM 233 CA GLY A 15 -10.872 -0.997 1.360 1.00 0.00 C ATOM 234 C GLY A 15 -11.391 0.122 0.466 1.00 0.00 C ATOM 235 O GLY A 15 -12.376 -0.029 -0.223 1.00 0.00 O ATOM 0 H GLY A 15 -9.019 -0.544 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.297 -1.712 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.706 -1.544 1.800 1.00 0.00 H new ATOM 239 N GLN A 16 -10.733 1.255 0.480 1.00 0.00 N ATOM 240 CA GLN A 16 -11.189 2.402 -0.362 1.00 0.00 C ATOM 241 C GLN A 16 -10.380 2.456 -1.659 1.00 0.00 C ATOM 242 O GLN A 16 -9.205 2.143 -1.690 1.00 0.00 O ATOM 243 CB GLN A 16 -11.008 3.706 0.416 1.00 0.00 C ATOM 244 CG GLN A 16 -11.488 4.877 -0.444 1.00 0.00 C ATOM 245 CD GLN A 16 -11.548 6.150 0.403 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.277 6.214 1.373 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.799 7.169 0.084 1.00 0.00 N ATOM 0 H GLN A 16 -9.899 1.434 1.039 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.242 2.269 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.572 3.669 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.960 3.841 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.813 5.022 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.472 4.657 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.187 7.117 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.826 8.018 0.649 1.00 0.00 H new ATOM 256 N TRP A 17 -11.011 2.853 -2.735 1.00 0.00 N ATOM 257 CA TRP A 17 -10.304 2.935 -4.050 1.00 0.00 C ATOM 258 C TRP A 17 -9.889 4.384 -4.317 1.00 0.00 C ATOM 259 O TRP A 17 -10.687 5.299 -4.233 1.00 0.00 O ATOM 260 CB TRP A 17 -11.252 2.462 -5.153 1.00 0.00 C ATOM 261 CG TRP A 17 -11.420 0.979 -5.059 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.477 0.349 -4.495 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.525 -0.068 -5.532 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.286 -1.018 -4.593 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.097 -1.325 -5.225 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.283 -0.047 -6.192 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.459 -2.519 -5.561 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.639 -1.247 -6.532 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.226 -2.480 -6.217 1.00 0.00 C ATOM 0 H TRP A 17 -11.993 3.126 -2.759 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.415 2.305 -4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.219 2.956 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.854 2.733 -6.131 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.330 0.834 -4.043 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.943 -1.714 -4.241 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.822 0.898 -6.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.915 -3.467 -5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.686 -1.220 -7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.725 -3.400 -6.481 1.00 0.00 H new ATOM 280 N ALA A 18 -8.646 4.595 -4.655 1.00 0.00 N ATOM 281 CA ALA A 18 -8.176 5.981 -4.946 1.00 0.00 C ATOM 282 C ALA A 18 -6.890 5.926 -5.767 1.00 0.00 C ATOM 283 O ALA A 18 -6.425 4.868 -6.142 1.00 0.00 O ATOM 284 CB ALA A 18 -7.913 6.720 -3.634 1.00 0.00 C ATOM 0 H ALA A 18 -7.935 3.868 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.943 6.509 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.570 7.732 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.833 6.765 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.148 6.191 -3.065 1.00 0.00 H new ATOM 290 N ASN A 19 -6.304 7.070 -6.034 1.00 0.00 N ATOM 291 CA ASN A 19 -5.031 7.119 -6.821 1.00 0.00 C ATOM 292 C ASN A 19 -3.989 7.919 -6.045 1.00 0.00 C ATOM 293 O ASN A 19 -4.303 8.912 -5.416 1.00 0.00 O ATOM 294 CB ASN A 19 -5.297 7.790 -8.165 1.00 0.00 C ATOM 295 CG ASN A 19 -3.971 8.013 -8.894 1.00 0.00 C ATOM 296 OD1 ASN A 19 -3.260 7.076 -9.188 1.00 0.00 O ATOM 297 ND2 ASN A 19 -3.605 9.226 -9.189 1.00 0.00 N ATOM 0 H ASN A 19 -6.657 7.980 -5.737 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.660 6.108 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.957 7.168 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.806 8.742 -8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.719 9.389 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.204 10.014 -8.941 1.00 0.00 H new ATOM 304 N LEU A 20 -2.748 7.489 -6.075 1.00 0.00 N ATOM 305 CA LEU A 20 -1.678 8.219 -5.327 1.00 0.00 C ATOM 306 C LEU A 20 -0.411 8.316 -6.168 1.00 0.00 C ATOM 307 O LEU A 20 -0.159 7.502 -7.034 1.00 0.00 O ATOM 308 CB LEU A 20 -1.363 7.465 -4.035 1.00 0.00 C ATOM 309 CG LEU A 20 -2.639 7.374 -3.163 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.355 6.044 -3.429 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.264 7.459 -1.684 1.00 0.00 C ATOM 0 H LEU A 20 -2.432 6.664 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.031 9.225 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.996 6.465 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.572 7.976 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.302 8.201 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.252 5.984 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.632 5.984 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.690 5.217 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.166 7.394 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.596 6.636 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.762 8.407 -1.490 1.00 0.00 H new ATOM 323 N LYS A 21 0.390 9.313 -5.901 1.00 0.00 N ATOM 324 CA LYS A 21 1.665 9.499 -6.654 1.00 0.00 C ATOM 325 C LYS A 21 2.783 9.838 -5.659 1.00 0.00 C ATOM 326 O LYS A 21 2.611 10.648 -4.770 1.00 0.00 O ATOM 327 CB LYS A 21 1.503 10.640 -7.659 1.00 0.00 C ATOM 328 CG LYS A 21 2.621 10.564 -8.704 1.00 0.00 C ATOM 329 CD LYS A 21 2.372 11.600 -9.806 1.00 0.00 C ATOM 330 CE LYS A 21 2.627 13.012 -9.267 1.00 0.00 C ATOM 331 NZ LYS A 21 2.759 13.962 -10.405 1.00 0.00 N ATOM 0 H LYS A 21 0.212 10.016 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 21 1.916 8.585 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.530 10.574 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.537 11.600 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.586 10.747 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.661 9.564 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.026 11.403 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.347 11.520 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.807 13.318 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.534 13.024 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.932 14.920 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.555 13.673 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.882 13.958 -10.964 1.00 0.00 H new ATOM 345 N ALA A 22 3.925 9.224 -5.810 1.00 0.00 N ATOM 346 CA ALA A 22 5.047 9.513 -4.871 1.00 0.00 C ATOM 347 C ALA A 22 6.331 8.828 -5.343 1.00 0.00 C ATOM 348 O ALA A 22 6.401 8.251 -6.406 1.00 0.00 O ATOM 349 CB ALA A 22 4.690 9.000 -3.473 1.00 0.00 C ATOM 0 H ALA A 22 4.129 8.539 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 22 5.208 10.591 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.510 9.212 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.786 9.498 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.519 7.924 -3.513 1.00 0.00 H new ATOM 355 N LYS A 23 7.342 8.901 -4.524 1.00 0.00 N ATOM 356 CA LYS A 23 8.662 8.267 -4.870 1.00 0.00 C ATOM 357 C LYS A 23 8.992 7.160 -3.878 1.00 0.00 C ATOM 358 O LYS A 23 8.514 7.145 -2.771 1.00 0.00 O ATOM 359 CB LYS A 23 9.755 9.328 -4.852 1.00 0.00 C ATOM 360 CG LYS A 23 9.858 9.941 -3.449 1.00 0.00 C ATOM 361 CD LYS A 23 11.001 10.968 -3.417 1.00 0.00 C ATOM 362 CE LYS A 23 12.338 10.254 -3.187 1.00 0.00 C ATOM 363 NZ LYS A 23 13.406 11.262 -2.969 1.00 0.00 N ATOM 0 H LYS A 23 7.318 9.375 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 23 8.598 7.831 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.709 8.885 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.533 10.105 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.917 10.421 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.038 9.159 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.031 11.521 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.826 11.695 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.266 9.593 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.582 9.630 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.313 10.778 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.480 11.876 -3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.174 11.839 -2.136 1.00 0.00 H new ATOM 377 N VAL A 24 9.804 6.219 -4.280 1.00 0.00 N ATOM 378 CA VAL A 24 10.164 5.092 -3.363 1.00 0.00 C ATOM 379 C VAL A 24 11.431 5.432 -2.575 1.00 0.00 C ATOM 380 O VAL A 24 12.530 5.415 -3.092 1.00 0.00 O ATOM 381 CB VAL A 24 10.394 3.832 -4.197 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.896 2.700 -3.298 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.075 3.412 -4.856 1.00 0.00 C ATOM 0 H VAL A 24 10.235 6.180 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 24 9.352 4.926 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 24 11.139 4.039 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.058 1.804 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.834 2.997 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.154 2.491 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.236 2.513 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.332 3.208 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.718 4.215 -5.500 1.00 0.00 H new ATOM 393 N ILE A 25 11.274 5.726 -1.313 1.00 0.00 N ATOM 394 CA ILE A 25 12.454 6.054 -0.461 1.00 0.00 C ATOM 395 C ILE A 25 13.213 4.762 -0.127 1.00 0.00 C ATOM 396 O ILE A 25 14.393 4.784 0.161 1.00 0.00 O ATOM 397 CB ILE A 25 11.984 6.717 0.836 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.358 8.081 0.527 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.179 6.911 1.771 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.590 8.581 1.756 1.00 0.00 C ATOM 0 H ILE A 25 10.375 5.753 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 25 13.111 6.738 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 25 11.241 6.079 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.134 8.796 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.686 7.999 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.845 7.383 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.624 5.942 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.921 7.546 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.144 9.551 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.804 7.869 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.275 8.678 2.598 1.00 0.00 H new ATOM 412 N GLN A 26 12.549 3.635 -0.167 1.00 0.00 N ATOM 413 CA GLN A 26 13.241 2.353 0.139 1.00 0.00 C ATOM 414 C GLN A 26 12.421 1.184 -0.414 1.00 0.00 C ATOM 415 O GLN A 26 11.212 1.254 -0.531 1.00 0.00 O ATOM 416 CB GLN A 26 13.392 2.199 1.653 1.00 0.00 C ATOM 417 CG GLN A 26 14.359 1.055 1.964 1.00 0.00 C ATOM 418 CD GLN A 26 15.779 1.451 1.552 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.436 0.734 0.824 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.283 2.572 1.991 1.00 0.00 N ATOM 0 H GLN A 26 11.559 3.550 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 26 14.228 2.356 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.762 3.128 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.421 2.000 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.331 0.822 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.054 0.154 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.732 3.174 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.228 2.846 1.723 1.00 0.00 H new ATOM 429 N LEU A 27 13.077 0.110 -0.756 1.00 0.00 N ATOM 430 CA LEU A 27 12.361 -1.081 -1.311 1.00 0.00 C ATOM 431 C LEU A 27 12.982 -2.367 -0.761 1.00 0.00 C ATOM 432 O LEU A 27 14.091 -2.375 -0.264 1.00 0.00 O ATOM 433 CB LEU A 27 12.469 -1.074 -2.845 1.00 0.00 C ATOM 434 CG LEU A 27 13.898 -1.446 -3.283 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.002 -1.381 -4.800 1.00 0.00 C ATOM 436 CD2 LEU A 27 14.899 -0.467 -2.649 1.00 0.00 C ATOM 0 H LEU A 27 14.088 0.002 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 27 11.312 -1.037 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.756 -1.781 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.209 -0.088 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 27 14.127 -2.459 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.014 -1.645 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.294 -2.081 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.772 -0.370 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.911 -0.730 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.672 0.548 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.826 -0.524 -1.563 1.00 0.00 H new ATOM 448 N TRP A 28 12.284 -3.462 -0.885 1.00 0.00 N ATOM 449 CA TRP A 28 12.831 -4.761 -0.405 1.00 0.00 C ATOM 450 C TRP A 28 12.362 -5.889 -1.334 1.00 0.00 C ATOM 451 O TRP A 28 11.199 -6.238 -1.381 1.00 0.00 O ATOM 452 CB TRP A 28 12.338 -5.019 1.009 1.00 0.00 C ATOM 453 CG TRP A 28 13.032 -6.215 1.566 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.470 -7.434 1.717 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.402 -6.330 2.046 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.409 -8.293 2.259 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.615 -7.659 2.480 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.472 -5.420 2.146 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.843 -8.072 2.996 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.710 -5.833 2.665 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.895 -7.157 3.089 1.00 0.00 C ATOM 0 H TRP A 28 11.354 -3.512 -1.300 1.00 0.00 H new ATOM 0 HA TRP A 28 13.920 -4.726 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.529 -4.149 1.637 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.260 -5.179 1.006 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.455 -7.695 1.457 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.232 -9.275 2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.340 -4.398 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.980 -9.093 3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.524 -5.127 2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.849 -7.469 3.487 1.00 0.00 H new ATOM 472 N GLU A 29 13.273 -6.455 -2.072 1.00 0.00 N ATOM 473 CA GLU A 29 12.910 -7.563 -3.006 1.00 0.00 C ATOM 474 C GLU A 29 12.621 -8.834 -2.209 1.00 0.00 C ATOM 475 O GLU A 29 13.437 -9.286 -1.430 1.00 0.00 O ATOM 476 CB GLU A 29 14.065 -7.813 -3.981 1.00 0.00 C ATOM 477 CG GLU A 29 15.360 -8.076 -3.203 1.00 0.00 C ATOM 478 CD GLU A 29 16.552 -8.027 -4.159 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.546 -7.184 -5.040 1.00 0.00 O ATOM 480 OE2 GLU A 29 17.451 -8.833 -3.991 1.00 0.00 O ATOM 0 H GLU A 29 14.260 -6.199 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 29 12.019 -7.284 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.835 -8.666 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.193 -6.951 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.481 -7.331 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.312 -9.050 -2.715 1.00 0.00 H new ATOM 487 N ASN A 30 11.457 -9.416 -2.397 1.00 0.00 N ATOM 488 CA ASN A 30 11.105 -10.666 -1.653 1.00 0.00 C ATOM 489 C ASN A 30 10.657 -11.727 -2.654 1.00 0.00 C ATOM 490 O ASN A 30 9.987 -11.429 -3.619 1.00 0.00 O ATOM 491 CB ASN A 30 9.975 -10.379 -0.665 1.00 0.00 C ATOM 492 CG ASN A 30 8.784 -9.763 -1.398 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.378 -8.660 -1.098 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.199 -10.436 -2.347 1.00 0.00 N ATOM 0 H ASN A 30 10.737 -9.077 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 30 11.974 -11.023 -1.101 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.671 -11.301 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.325 -9.700 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.400 -10.036 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.540 -11.363 -2.599 1.00 0.00 H new ATOM 501 N THR A 31 11.033 -12.966 -2.435 1.00 0.00 N ATOM 502 CA THR A 31 10.639 -14.067 -3.375 1.00 0.00 C ATOM 503 C THR A 31 9.740 -15.062 -2.635 1.00 0.00 C ATOM 504 O THR A 31 9.711 -16.237 -2.939 1.00 0.00 O ATOM 505 CB THR A 31 11.894 -14.774 -3.890 1.00 0.00 C ATOM 506 OG1 THR A 31 11.539 -16.043 -4.419 1.00 0.00 O ATOM 507 CG2 THR A 31 12.893 -14.949 -2.750 1.00 0.00 C ATOM 0 H THR A 31 11.599 -13.264 -1.641 1.00 0.00 H new ATOM 0 HA THR A 31 10.095 -13.652 -4.223 1.00 0.00 H new ATOM 0 HB THR A 31 12.352 -14.172 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.177 -16.606 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 31 13.785 -15.453 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.167 -13.971 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.441 -15.548 -1.959 1.00 0.00 H new ATOM 515 N HIS A 32 8.998 -14.589 -1.670 1.00 0.00 N ATOM 516 CA HIS A 32 8.085 -15.485 -0.909 1.00 0.00 C ATOM 517 C HIS A 32 6.982 -15.997 -1.839 1.00 0.00 C ATOM 518 O HIS A 32 6.062 -16.655 -1.408 1.00 0.00 O ATOM 519 CB HIS A 32 7.470 -14.701 0.254 1.00 0.00 C ATOM 520 CG HIS A 32 8.543 -14.391 1.265 1.00 0.00 C ATOM 521 ND1 HIS A 32 9.341 -15.378 1.824 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.958 -13.211 1.831 1.00 0.00 C ATOM 523 CE1 HIS A 32 10.185 -14.779 2.684 1.00 0.00 C ATOM 524 NE2 HIS A 32 9.995 -13.458 2.726 1.00 0.00 N ATOM 0 H HIS A 32 8.986 -13.613 -1.375 1.00 0.00 H new ATOM 0 HA HIS A 32 8.641 -16.337 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.020 -13.778 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.673 -15.282 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.543 -12.238 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.926 -15.303 3.269 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.501 -12.777 3.292 1.00 0.00 H new ATOM 532 N GLU A 33 7.087 -15.692 -3.113 1.00 0.00 N ATOM 533 CA GLU A 33 6.076 -16.150 -4.121 1.00 0.00 C ATOM 534 C GLU A 33 4.740 -15.444 -3.878 1.00 0.00 C ATOM 535 O GLU A 33 4.190 -14.816 -4.762 1.00 0.00 O ATOM 536 CB GLU A 33 5.888 -17.669 -4.021 1.00 0.00 C ATOM 537 CG GLU A 33 5.089 -18.164 -5.224 1.00 0.00 C ATOM 538 CD GLU A 33 4.950 -19.686 -5.153 1.00 0.00 C ATOM 539 OE1 GLU A 33 5.674 -20.293 -4.379 1.00 0.00 O ATOM 540 OE2 GLU A 33 4.123 -20.219 -5.873 1.00 0.00 O ATOM 0 H GLU A 33 7.846 -15.134 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 33 6.434 -15.901 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.858 -18.165 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.368 -17.922 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.104 -17.698 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.589 -17.877 -6.149 1.00 0.00 H new ATOM 547 N SER A 34 4.213 -15.535 -2.686 1.00 0.00 N ATOM 548 CA SER A 34 2.920 -14.864 -2.392 1.00 0.00 C ATOM 549 C SER A 34 3.085 -13.368 -2.610 1.00 0.00 C ATOM 550 O SER A 34 2.247 -12.728 -3.211 1.00 0.00 O ATOM 551 CB SER A 34 2.538 -15.120 -0.934 1.00 0.00 C ATOM 552 OG SER A 34 1.284 -14.505 -0.660 1.00 0.00 O ATOM 0 H SER A 34 4.625 -16.046 -1.905 1.00 0.00 H new ATOM 0 HA SER A 34 2.141 -15.254 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.479 -16.192 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.305 -14.720 -0.270 1.00 0.00 H new ATOM 0 HG SER A 34 1.036 -14.669 0.274 1.00 0.00 H new ATOM 558 N ILE A 35 4.166 -12.807 -2.130 1.00 0.00 N ATOM 559 CA ILE A 35 4.411 -11.342 -2.302 1.00 0.00 C ATOM 560 C ILE A 35 5.578 -11.132 -3.262 1.00 0.00 C ATOM 561 O ILE A 35 6.536 -11.879 -3.270 1.00 0.00 O ATOM 562 CB ILE A 35 4.740 -10.712 -0.952 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.520 -10.824 -0.033 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.087 -9.238 -1.161 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.917 -10.433 1.392 1.00 0.00 C ATOM 0 H ILE A 35 4.896 -13.306 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 35 3.516 -10.872 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 35 5.586 -11.227 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.721 -10.174 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.133 -11.843 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.323 -8.780 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.949 -9.157 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.236 -8.724 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.049 -10.513 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.702 -11.101 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.284 -9.407 1.399 1.00 0.00 H new ATOM 577 N SER A 36 5.489 -10.122 -4.080 1.00 0.00 N ATOM 578 CA SER A 36 6.578 -9.838 -5.058 1.00 0.00 C ATOM 579 C SER A 36 7.568 -8.833 -4.461 1.00 0.00 C ATOM 580 O SER A 36 8.776 -9.018 -4.510 1.00 0.00 O ATOM 581 CB SER A 36 5.962 -9.234 -6.318 1.00 0.00 C ATOM 582 OG SER A 36 6.988 -8.965 -7.262 1.00 0.00 O ATOM 0 H SER A 36 4.702 -9.474 -4.114 1.00 0.00 H new ATOM 0 HA SER A 36 7.102 -10.764 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.231 -9.921 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.429 -8.315 -6.071 1.00 0.00 H new ATOM 0 HG SER A 36 6.594 -8.579 -8.072 1.00 0.00 H new ATOM 588 N GLN A 37 7.069 -7.764 -3.897 1.00 0.00 N ATOM 589 CA GLN A 37 7.982 -6.746 -3.313 1.00 0.00 C ATOM 590 C GLN A 37 7.269 -5.951 -2.217 1.00 0.00 C ATOM 591 O GLN A 37 6.060 -5.836 -2.193 1.00 0.00 O ATOM 592 CB GLN A 37 8.432 -5.794 -4.423 1.00 0.00 C ATOM 593 CG GLN A 37 9.326 -4.705 -3.832 1.00 0.00 C ATOM 594 CD GLN A 37 9.981 -3.910 -4.962 1.00 0.00 C ATOM 595 OE1 GLN A 37 10.326 -4.461 -5.986 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.161 -2.626 -4.823 1.00 0.00 N ATOM 0 H GLN A 37 6.074 -7.555 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 37 8.844 -7.247 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.973 -6.345 -5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.564 -5.344 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.737 -4.040 -3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.091 -5.153 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.872 -2.161 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.591 -2.087 -5.575 1.00 0.00 H new ATOM 605 N VAL A 38 8.030 -5.385 -1.323 1.00 0.00 N ATOM 606 CA VAL A 38 7.435 -4.568 -0.219 1.00 0.00 C ATOM 607 C VAL A 38 8.351 -3.381 0.074 1.00 0.00 C ATOM 608 O VAL A 38 9.561 -3.497 0.044 1.00 0.00 O ATOM 609 CB VAL A 38 7.291 -5.429 1.035 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.672 -5.912 1.480 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.656 -4.597 2.155 1.00 0.00 C ATOM 0 H VAL A 38 9.048 -5.452 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 38 6.451 -4.206 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 38 6.657 -6.288 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.572 -6.527 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.125 -6.502 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.305 -5.052 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.553 -5.210 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.290 -3.738 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.673 -4.250 1.838 1.00 0.00 H new ATOM 621 N GLY A 39 7.789 -2.234 0.344 1.00 0.00 N ATOM 622 CA GLY A 39 8.643 -1.048 0.623 1.00 0.00 C ATOM 623 C GLY A 39 7.796 0.096 1.178 1.00 0.00 C ATOM 624 O GLY A 39 6.756 -0.112 1.772 1.00 0.00 O ATOM 0 H GLY A 39 6.783 -2.069 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.422 -1.313 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.144 -0.729 -0.291 1.00 0.00 H new ATOM 628 N LEU A 40 8.249 1.308 0.985 1.00 0.00 N ATOM 629 CA LEU A 40 7.498 2.500 1.496 1.00 0.00 C ATOM 630 C LEU A 40 7.487 3.585 0.427 1.00 0.00 C ATOM 631 O LEU A 40 8.379 3.668 -0.391 1.00 0.00 O ATOM 632 CB LEU A 40 8.186 3.040 2.760 1.00 0.00 C ATOM 633 CG LEU A 40 9.703 2.800 2.649 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.432 3.695 3.657 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.044 1.308 2.920 1.00 0.00 C ATOM 0 H LEU A 40 9.114 1.527 0.491 1.00 0.00 H new ATOM 0 HA LEU A 40 6.475 2.209 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.981 4.104 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.790 2.542 3.645 1.00 0.00 H new ATOM 0 HG LEU A 40 10.027 3.046 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.506 3.528 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.211 4.740 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.097 3.454 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.121 1.160 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.717 1.037 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.534 0.680 2.190 1.00 0.00 H new ATOM 647 N LEU A 41 6.484 4.428 0.445 1.00 0.00 N ATOM 648 CA LEU A 41 6.399 5.533 -0.558 1.00 0.00 C ATOM 649 C LEU A 41 6.617 6.873 0.133 1.00 0.00 C ATOM 650 O LEU A 41 6.035 7.163 1.159 1.00 0.00 O ATOM 651 CB LEU A 41 5.017 5.504 -1.207 1.00 0.00 C ATOM 652 CG LEU A 41 4.948 4.344 -2.220 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.490 3.925 -2.419 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.531 4.794 -3.569 1.00 0.00 C ATOM 0 H LEU A 41 5.716 4.397 1.116 1.00 0.00 H new ATOM 0 HA LEU A 41 7.167 5.401 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.248 5.381 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.819 6.451 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 41 5.525 3.502 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.442 3.105 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.072 3.600 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.917 4.771 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.479 3.970 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.957 5.639 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.571 5.093 -3.435 1.00 0.00 H new ATOM 666 N GLY A 42 7.466 7.690 -0.433 1.00 0.00 N ATOM 667 CA GLY A 42 7.758 9.023 0.163 1.00 0.00 C ATOM 668 C GLY A 42 6.882 10.094 -0.479 1.00 0.00 C ATOM 669 O GLY A 42 7.130 10.525 -1.589 1.00 0.00 O ATOM 0 H GLY A 42 7.975 7.486 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.580 8.995 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.810 9.270 0.020 1.00 0.00 H new ATOM 673 N ASP A 43 5.867 10.537 0.219 1.00 0.00 N ATOM 674 CA ASP A 43 4.970 11.600 -0.331 1.00 0.00 C ATOM 675 C ASP A 43 5.299 12.938 0.337 1.00 0.00 C ATOM 676 O ASP A 43 5.936 12.995 1.372 1.00 0.00 O ATOM 677 CB ASP A 43 3.514 11.236 -0.050 1.00 0.00 C ATOM 678 CG ASP A 43 3.222 9.845 -0.611 1.00 0.00 C ATOM 679 OD1 ASP A 43 4.164 9.088 -0.782 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.064 9.560 -0.863 1.00 0.00 O ATOM 0 H ASP A 43 5.619 10.206 1.152 1.00 0.00 H new ATOM 0 HA ASP A 43 5.121 11.682 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.323 11.255 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.850 11.971 -0.505 1.00 0.00 H new ATOM 685 N GLU A 44 4.867 14.009 -0.259 1.00 0.00 N ATOM 686 CA GLU A 44 5.134 15.361 0.304 1.00 0.00 C ATOM 687 C GLU A 44 4.335 15.553 1.592 1.00 0.00 C ATOM 688 O GLU A 44 4.593 16.455 2.362 1.00 0.00 O ATOM 689 CB GLU A 44 4.704 16.416 -0.719 1.00 0.00 C ATOM 690 CG GLU A 44 5.342 16.101 -2.083 1.00 0.00 C ATOM 691 CD GLU A 44 4.497 15.055 -2.818 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.561 15.448 -3.493 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.797 13.880 -2.689 1.00 0.00 O ATOM 0 H GLU A 44 4.331 14.007 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 44 6.197 15.462 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.618 16.429 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.008 17.408 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.414 17.010 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.357 15.730 -1.944 1.00 0.00 H new ATOM 700 N THR A 45 3.361 14.714 1.829 1.00 0.00 N ATOM 701 CA THR A 45 2.536 14.845 3.066 1.00 0.00 C ATOM 702 C THR A 45 3.072 13.891 4.132 1.00 0.00 C ATOM 703 O THR A 45 2.640 13.908 5.265 1.00 0.00 O ATOM 704 CB THR A 45 1.079 14.500 2.741 1.00 0.00 C ATOM 705 OG1 THR A 45 0.969 13.108 2.480 1.00 0.00 O ATOM 706 CG2 THR A 45 0.633 15.289 1.507 1.00 0.00 C ATOM 0 H THR A 45 3.101 13.941 1.217 1.00 0.00 H new ATOM 0 HA THR A 45 2.588 15.867 3.440 1.00 0.00 H new ATOM 0 HB THR A 45 0.445 14.761 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.037 12.886 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.403 15.045 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.718 16.357 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.267 15.028 0.659 1.00 0.00 H new ATOM 714 N GLY A 46 4.026 13.064 3.782 1.00 0.00 N ATOM 715 CA GLY A 46 4.598 12.121 4.788 1.00 0.00 C ATOM 716 C GLY A 46 5.053 10.832 4.105 1.00 0.00 C ATOM 717 O GLY A 46 5.495 10.838 2.974 1.00 0.00 O ATOM 0 H GLY A 46 4.431 13.002 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.441 12.588 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.852 11.894 5.549 1.00 0.00 H new ATOM 721 N ILE A 47 4.948 9.724 4.796 1.00 0.00 N ATOM 722 CA ILE A 47 5.372 8.413 4.212 1.00 0.00 C ATOM 723 C ILE A 47 4.319 7.347 4.499 1.00 0.00 C ATOM 724 O ILE A 47 3.481 7.501 5.366 1.00 0.00 O ATOM 725 CB ILE A 47 6.712 7.993 4.826 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.572 7.830 6.347 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.765 9.065 4.529 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.890 7.315 6.926 1.00 0.00 C ATOM 0 H ILE A 47 4.584 9.671 5.747 1.00 0.00 H new ATOM 0 HA ILE A 47 5.481 8.520 3.133 1.00 0.00 H new ATOM 0 HB ILE A 47 7.017 7.041 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.310 8.784 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.765 7.134 6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.719 8.768 4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.877 9.176 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.449 10.015 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.792 7.199 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.133 6.352 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.686 8.027 6.708 1.00 0.00 H new ATOM 740 N ILE A 48 4.367 6.260 3.780 1.00 0.00 N ATOM 741 CA ILE A 48 3.379 5.170 4.012 1.00 0.00 C ATOM 742 C ILE A 48 3.917 3.850 3.456 1.00 0.00 C ATOM 743 O ILE A 48 4.676 3.823 2.507 1.00 0.00 O ATOM 744 CB ILE A 48 2.060 5.521 3.329 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.038 4.417 3.608 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.274 5.653 1.820 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.352 4.887 3.177 1.00 0.00 C ATOM 0 H ILE A 48 5.048 6.080 3.042 1.00 0.00 H new ATOM 0 HA ILE A 48 3.212 5.060 5.083 1.00 0.00 H new ATOM 0 HB ILE A 48 1.692 6.469 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.310 3.510 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.036 4.168 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.329 5.904 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.001 6.441 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.645 4.709 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.080 4.100 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.623 5.782 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.345 5.114 2.111 1.00 0.00 H new ATOM 759 N LYS A 49 3.518 2.756 4.045 1.00 0.00 N ATOM 760 CA LYS A 49 3.987 1.417 3.579 1.00 0.00 C ATOM 761 C LYS A 49 3.175 0.972 2.366 1.00 0.00 C ATOM 762 O LYS A 49 2.118 1.513 2.090 1.00 0.00 O ATOM 763 CB LYS A 49 3.817 0.400 4.702 1.00 0.00 C ATOM 764 CG LYS A 49 4.787 0.733 5.834 1.00 0.00 C ATOM 765 CD LYS A 49 4.629 -0.291 6.960 1.00 0.00 C ATOM 766 CE LYS A 49 5.645 0.004 8.067 1.00 0.00 C ATOM 767 NZ LYS A 49 5.173 1.163 8.876 1.00 0.00 N ATOM 0 H LYS A 49 2.879 2.731 4.840 1.00 0.00 H new ATOM 0 HA LYS A 49 5.039 1.485 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.791 0.415 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.007 -0.606 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.812 0.726 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.592 1.737 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.616 -0.252 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.780 -1.299 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.770 -0.872 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.620 0.223 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.890 1.916 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.281 1.523 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.018 0.860 9.859 1.00 0.00 H new ATOM 781 N PHE A 50 3.630 -0.033 1.654 1.00 0.00 N ATOM 782 CA PHE A 50 2.856 -0.521 0.487 1.00 0.00 C ATOM 783 C PHE A 50 3.284 -1.961 0.174 1.00 0.00 C ATOM 784 O PHE A 50 4.426 -2.339 0.391 1.00 0.00 O ATOM 785 CB PHE A 50 3.122 0.381 -0.721 1.00 0.00 C ATOM 786 CG PHE A 50 4.493 0.109 -1.304 1.00 0.00 C ATOM 787 CD1 PHE A 50 4.669 -0.967 -2.182 1.00 0.00 C ATOM 788 CD2 PHE A 50 5.576 0.933 -0.984 1.00 0.00 C ATOM 789 CE1 PHE A 50 5.927 -1.219 -2.742 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.836 0.680 -1.544 1.00 0.00 C ATOM 791 CZ PHE A 50 7.011 -0.394 -2.422 1.00 0.00 C ATOM 0 H PHE A 50 4.502 -0.530 1.837 1.00 0.00 H new ATOM 0 HA PHE A 50 1.790 -0.499 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.359 0.213 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.050 1.427 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.832 -1.604 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.442 1.763 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.061 -2.049 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.673 1.316 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.982 -0.587 -2.853 1.00 0.00 H new ATOM 801 N THR A 51 2.380 -2.762 -0.335 1.00 0.00 N ATOM 802 CA THR A 51 2.719 -4.181 -0.669 1.00 0.00 C ATOM 803 C THR A 51 2.168 -4.537 -2.050 1.00 0.00 C ATOM 804 O THR A 51 1.006 -4.335 -2.338 1.00 0.00 O ATOM 805 CB THR A 51 2.094 -5.099 0.383 1.00 0.00 C ATOM 806 OG1 THR A 51 2.576 -4.730 1.667 1.00 0.00 O ATOM 807 CG2 THR A 51 2.475 -6.548 0.089 1.00 0.00 C ATOM 0 H THR A 51 1.417 -2.492 -0.535 1.00 0.00 H new ATOM 0 HA THR A 51 3.802 -4.306 -0.677 1.00 0.00 H new ATOM 0 HB THR A 51 1.009 -5.002 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.178 -5.314 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.029 -7.201 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.109 -6.827 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.560 -6.652 0.116 1.00 0.00 H new ATOM 815 N ILE A 52 3.004 -5.073 -2.901 1.00 0.00 N ATOM 816 CA ILE A 52 2.557 -5.457 -4.277 1.00 0.00 C ATOM 817 C ILE A 52 2.420 -6.977 -4.361 1.00 0.00 C ATOM 818 O ILE A 52 3.320 -7.713 -4.002 1.00 0.00 O ATOM 819 CB ILE A 52 3.589 -4.978 -5.293 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.736 -3.458 -5.178 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.114 -5.341 -6.699 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.937 -2.994 -6.002 1.00 0.00 C ATOM 0 H ILE A 52 3.986 -5.263 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 52 1.593 -4.996 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 52 4.551 -5.454 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.829 -2.967 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.867 -3.173 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.848 -5.001 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.999 -6.422 -6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.156 -4.859 -6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.039 -1.912 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.842 -3.474 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.788 -3.265 -7.047 1.00 0.00 H new ATOM 834 N TRP A 53 1.291 -7.453 -4.820 1.00 0.00 N ATOM 835 CA TRP A 53 1.071 -8.922 -4.918 1.00 0.00 C ATOM 836 C TRP A 53 1.561 -9.445 -6.270 1.00 0.00 C ATOM 837 O TRP A 53 1.425 -8.801 -7.293 1.00 0.00 O ATOM 838 CB TRP A 53 -0.428 -9.203 -4.784 1.00 0.00 C ATOM 839 CG TRP A 53 -0.880 -8.801 -3.418 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.613 -7.700 -3.132 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.636 -9.471 -2.149 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.834 -7.653 -1.768 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.252 -8.724 -1.118 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.053 -10.645 -1.798 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.184 -9.126 0.216 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.124 -11.053 -0.456 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.494 -10.295 0.549 1.00 0.00 C ATOM 0 H TRP A 53 0.508 -6.880 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 53 1.626 -9.423 -4.125 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.983 -8.650 -5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.629 -10.261 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.967 -6.977 -3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.362 -6.917 -1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.531 -11.237 -2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.661 -8.538 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.657 -11.955 -0.197 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.437 -10.614 1.579 1.00 0.00 H new ATOM 858 N LYS A 54 2.125 -10.618 -6.272 1.00 0.00 N ATOM 859 CA LYS A 54 2.629 -11.219 -7.537 1.00 0.00 C ATOM 860 C LYS A 54 1.469 -11.386 -8.517 1.00 0.00 C ATOM 861 O LYS A 54 1.644 -11.335 -9.718 1.00 0.00 O ATOM 862 CB LYS A 54 3.228 -12.595 -7.228 1.00 0.00 C ATOM 863 CG LYS A 54 3.973 -13.138 -8.462 1.00 0.00 C ATOM 864 CD LYS A 54 5.416 -12.619 -8.466 1.00 0.00 C ATOM 865 CE LYS A 54 6.180 -13.244 -9.629 1.00 0.00 C ATOM 866 NZ LYS A 54 7.588 -12.760 -9.609 1.00 0.00 N ATOM 0 H LYS A 54 2.260 -11.194 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 54 3.387 -10.571 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.913 -12.520 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.438 -13.287 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.969 -14.228 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.462 -12.827 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.422 -11.533 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.904 -12.864 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.156 -14.331 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.706 -12.980 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.112 -13.184 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.600 -11.724 -9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.036 -13.033 -8.711 1.00 0.00 H new ATOM 880 N ASN A 55 0.287 -11.602 -8.011 1.00 0.00 N ATOM 881 CA ASN A 55 -0.890 -11.793 -8.904 1.00 0.00 C ATOM 882 C ASN A 55 -1.077 -10.558 -9.788 1.00 0.00 C ATOM 883 O ASN A 55 -1.937 -10.523 -10.643 1.00 0.00 O ATOM 884 CB ASN A 55 -2.140 -11.993 -8.045 1.00 0.00 C ATOM 885 CG ASN A 55 -2.049 -13.333 -7.310 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.469 -14.276 -7.811 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.597 -13.455 -6.131 1.00 0.00 N ATOM 0 H ASN A 55 0.085 -11.655 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.728 -12.666 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.234 -11.178 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.032 -11.970 -8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.538 -14.342 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.084 -12.663 -5.711 1.00 0.00 H new ATOM 894 N ALA A 56 -0.269 -9.546 -9.598 1.00 0.00 N ATOM 895 CA ALA A 56 -0.387 -8.314 -10.439 1.00 0.00 C ATOM 896 C ALA A 56 0.634 -8.387 -11.579 1.00 0.00 C ATOM 897 O ALA A 56 0.436 -7.834 -12.642 1.00 0.00 O ATOM 898 CB ALA A 56 -0.106 -7.084 -9.574 1.00 0.00 C ATOM 0 H ALA A 56 0.470 -9.519 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.392 -8.242 -10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.191 -6.184 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.828 -7.040 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.901 -7.150 -9.163 1.00 0.00 H new ATOM 904 N GLU A 57 1.726 -9.075 -11.358 1.00 0.00 N ATOM 905 CA GLU A 57 2.775 -9.206 -12.411 1.00 0.00 C ATOM 906 C GLU A 57 3.111 -7.843 -12.989 1.00 0.00 C ATOM 907 O GLU A 57 3.059 -7.637 -14.188 1.00 0.00 O ATOM 908 CB GLU A 57 2.284 -10.139 -13.524 1.00 0.00 C ATOM 909 CG GLU A 57 2.263 -11.592 -13.012 1.00 0.00 C ATOM 910 CD GLU A 57 0.984 -11.843 -12.210 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.240 -10.903 -12.009 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.771 -12.974 -11.813 1.00 0.00 O ATOM 0 H GLU A 57 1.936 -9.556 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 57 3.674 -9.628 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.286 -9.842 -13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.937 -10.059 -14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.317 -12.284 -13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.137 -11.780 -12.388 1.00 0.00 H new ATOM 919 N LEU A 58 3.470 -6.909 -12.139 1.00 0.00 N ATOM 920 CA LEU A 58 3.822 -5.546 -12.616 1.00 0.00 C ATOM 921 C LEU A 58 5.329 -5.303 -12.425 1.00 0.00 C ATOM 922 O LEU A 58 5.943 -5.872 -11.543 1.00 0.00 O ATOM 923 CB LEU A 58 3.037 -4.503 -11.824 1.00 0.00 C ATOM 924 CG LEU A 58 1.556 -4.883 -11.815 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.784 -3.894 -10.942 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.001 -4.845 -13.247 1.00 0.00 C ATOM 0 H LEU A 58 3.533 -7.040 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 58 3.571 -5.463 -13.673 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.415 -4.445 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.168 -3.517 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 58 1.444 -5.890 -11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.272 -4.163 -10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.174 -3.925 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.899 -2.887 -11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.055 -5.117 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.113 -3.840 -13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.551 -5.552 -13.869 1.00 0.00 H new ATOM 938 N PRO A 59 5.918 -4.451 -13.233 1.00 0.00 N ATOM 939 CA PRO A 59 7.373 -4.121 -13.133 1.00 0.00 C ATOM 940 C PRO A 59 7.768 -3.595 -11.744 1.00 0.00 C ATOM 941 O PRO A 59 6.998 -2.945 -11.065 1.00 0.00 O ATOM 942 CB PRO A 59 7.585 -3.025 -14.199 1.00 0.00 C ATOM 943 CG PRO A 59 6.427 -3.142 -15.138 1.00 0.00 C ATOM 944 CD PRO A 59 5.271 -3.721 -14.339 1.00 0.00 C ATOM 0 HA PRO A 59 7.989 -5.007 -13.289 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.620 -2.036 -13.742 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.530 -3.167 -14.724 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.163 -2.168 -15.550 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.676 -3.787 -15.981 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.613 -2.936 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.660 -4.385 -14.950 1.00 0.00 H new ATOM 952 N LEU A 60 8.971 -3.885 -11.326 1.00 0.00 N ATOM 953 CA LEU A 60 9.442 -3.429 -9.987 1.00 0.00 C ATOM 954 C LEU A 60 9.699 -1.921 -9.995 1.00 0.00 C ATOM 955 O LEU A 60 10.059 -1.339 -10.999 1.00 0.00 O ATOM 956 CB LEU A 60 10.736 -4.160 -9.635 1.00 0.00 C ATOM 957 CG LEU A 60 10.521 -5.671 -9.767 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.827 -6.400 -9.439 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.418 -6.130 -8.801 1.00 0.00 C ATOM 0 H LEU A 60 9.653 -4.423 -11.860 1.00 0.00 H new ATOM 0 HA LEU A 60 8.673 -3.650 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.540 -3.837 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.041 -3.913 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 60 10.218 -5.903 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.677 -7.476 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.606 -6.081 -10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.130 -6.163 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.271 -7.205 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.711 -5.897 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.488 -5.613 -9.039 1.00 0.00 H new ATOM 971 N LEU A 61 9.508 -1.291 -8.868 1.00 0.00 N ATOM 972 CA LEU A 61 9.723 0.180 -8.767 1.00 0.00 C ATOM 973 C LEU A 61 11.191 0.477 -8.449 1.00 0.00 C ATOM 974 O LEU A 61 11.841 -0.247 -7.721 1.00 0.00 O ATOM 975 CB LEU A 61 8.842 0.736 -7.649 1.00 0.00 C ATOM 976 CG LEU A 61 7.393 0.820 -8.134 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.881 -0.584 -8.480 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.523 1.424 -7.028 1.00 0.00 C ATOM 0 H LEU A 61 9.208 -1.739 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 61 9.464 0.648 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.906 0.096 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.195 1.723 -7.351 1.00 0.00 H new ATOM 0 HG LEU A 61 7.344 1.449 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.849 -0.520 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.501 -1.014 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.929 -1.217 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.490 1.485 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.574 0.794 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.885 2.423 -6.785 1.00 0.00 H new ATOM 990 N GLU A 62 11.715 1.544 -8.992 1.00 0.00 N ATOM 991 CA GLU A 62 13.142 1.904 -8.734 1.00 0.00 C ATOM 992 C GLU A 62 13.234 2.905 -7.578 1.00 0.00 C ATOM 993 O GLU A 62 12.433 3.810 -7.447 1.00 0.00 O ATOM 994 CB GLU A 62 13.731 2.525 -9.997 1.00 0.00 C ATOM 995 CG GLU A 62 13.826 1.451 -11.081 1.00 0.00 C ATOM 996 CD GLU A 62 14.329 2.076 -12.382 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.659 3.250 -12.364 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.377 1.368 -13.375 1.00 0.00 O ATOM 0 H GLU A 62 11.214 2.186 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 62 13.699 1.007 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.106 3.350 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.718 2.938 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.502 0.658 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.850 0.993 -11.240 1.00 0.00 H new ATOM 1005 N GLN A 63 14.207 2.730 -6.729 1.00 0.00 N ATOM 1006 CA GLN A 63 14.370 3.641 -5.561 1.00 0.00 C ATOM 1007 C GLN A 63 14.851 5.019 -6.013 1.00 0.00 C ATOM 1008 O GLN A 63 15.723 5.145 -6.852 1.00 0.00 O ATOM 1009 CB GLN A 63 15.383 3.041 -4.586 1.00 0.00 C ATOM 1010 CG GLN A 63 15.503 3.951 -3.359 1.00 0.00 C ATOM 1011 CD GLN A 63 16.372 3.279 -2.294 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.593 2.084 -2.335 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.879 4.003 -1.330 1.00 0.00 N ATOM 0 H GLN A 63 14.903 1.988 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 63 13.404 3.754 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.067 2.043 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.353 2.935 -5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.940 4.908 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.513 4.161 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.695 5.006 -1.294 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.459 3.565 -0.614 1.00 0.00 H new ATOM 1022 N GLY A 64 14.291 6.055 -5.443 1.00 0.00 N ATOM 1023 CA GLY A 64 14.700 7.438 -5.807 1.00 0.00 C ATOM 1024 C GLY A 64 13.886 7.913 -7.005 1.00 0.00 C ATOM 1025 O GLY A 64 13.856 9.084 -7.320 1.00 0.00 O ATOM 0 H GLY A 64 13.560 5.997 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.546 8.108 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.764 7.463 -6.044 1.00 0.00 H new ATOM 1029 N GLU A 65 13.232 7.010 -7.687 1.00 0.00 N ATOM 1030 CA GLU A 65 12.428 7.405 -8.880 1.00 0.00 C ATOM 1031 C GLU A 65 10.968 7.639 -8.489 1.00 0.00 C ATOM 1032 O GLU A 65 10.485 7.158 -7.472 1.00 0.00 O ATOM 1033 CB GLU A 65 12.505 6.294 -9.927 1.00 0.00 C ATOM 1034 CG GLU A 65 13.941 6.178 -10.445 1.00 0.00 C ATOM 1035 CD GLU A 65 14.312 7.445 -11.218 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.404 8.141 -11.644 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.495 7.700 -11.369 1.00 0.00 O ATOM 0 H GLU A 65 13.220 6.014 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 65 12.831 8.331 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.187 5.347 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.826 6.510 -10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.628 6.034 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.036 5.305 -11.091 1.00 0.00 H new ATOM 1044 N SER A 66 10.265 8.380 -9.309 1.00 0.00 N ATOM 1045 CA SER A 66 8.829 8.672 -9.035 1.00 0.00 C ATOM 1046 C SER A 66 7.952 7.601 -9.683 1.00 0.00 C ATOM 1047 O SER A 66 8.290 7.044 -10.710 1.00 0.00 O ATOM 1048 CB SER A 66 8.472 10.037 -9.610 1.00 0.00 C ATOM 1049 OG SER A 66 8.916 10.110 -10.958 1.00 0.00 O ATOM 0 H SER A 66 10.631 8.798 -10.164 1.00 0.00 H new ATOM 0 HA SER A 66 8.659 8.673 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.395 10.194 -9.561 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.937 10.826 -9.019 1.00 0.00 H new ATOM 0 HG SER A 66 8.905 11.044 -11.256 1.00 0.00 H new ATOM 1055 N TYR A 67 6.818 7.314 -9.095 1.00 0.00 N ATOM 1056 CA TYR A 67 5.909 6.282 -9.677 1.00 0.00 C ATOM 1057 C TYR A 67 4.457 6.693 -9.457 1.00 0.00 C ATOM 1058 O TYR A 67 4.103 7.275 -8.451 1.00 0.00 O ATOM 1059 CB TYR A 67 6.157 4.930 -8.994 1.00 0.00 C ATOM 1060 CG TYR A 67 7.376 4.277 -9.596 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.284 3.650 -10.844 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.592 4.293 -8.909 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.412 3.043 -11.407 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.718 3.687 -9.470 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.629 3.058 -10.718 1.00 0.00 C ATOM 1066 OH TYR A 67 10.742 2.459 -11.271 1.00 0.00 O ATOM 0 H TYR A 67 6.483 7.751 -8.236 1.00 0.00 H new ATOM 0 HA TYR A 67 6.107 6.195 -10.745 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.300 5.073 -7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.288 4.284 -9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.342 3.635 -11.372 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.661 4.774 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.343 2.564 -12.372 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.659 3.703 -8.941 1.00 0.00 H new ATOM 0 HH TYR A 67 11.312 3.143 -11.681 1.00 0.00 H new ATOM 1076 N LEU A 68 3.615 6.364 -10.398 1.00 0.00 N ATOM 1077 CA LEU A 68 2.162 6.691 -10.285 1.00 0.00 C ATOM 1078 C LEU A 68 1.379 5.390 -10.157 1.00 0.00 C ATOM 1079 O LEU A 68 1.572 4.472 -10.923 1.00 0.00 O ATOM 1080 CB LEU A 68 1.719 7.463 -11.527 1.00 0.00 C ATOM 1081 CG LEU A 68 0.199 7.660 -11.516 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.231 8.354 -10.219 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.201 8.524 -12.714 1.00 0.00 C ATOM 0 H LEU A 68 3.875 5.875 -11.254 1.00 0.00 H new ATOM 0 HA LEU A 68 1.978 7.310 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.218 8.432 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.016 6.922 -12.425 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.292 6.689 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.313 8.490 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.057 7.740 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.257 9.326 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.281 8.669 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.295 9.492 -12.646 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.098 8.027 -13.637 1.00 0.00 H new ATOM 1095 N LEU A 69 0.499 5.304 -9.188 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.306 4.058 -8.991 1.00 0.00 C ATOM 1097 C LEU A 69 -1.784 4.381 -9.134 1.00 0.00 C ATOM 1098 O LEU A 69 -2.354 5.092 -8.331 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.039 3.508 -7.594 1.00 0.00 C ATOM 1100 CG LEU A 69 1.484 3.525 -7.313 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.858 4.807 -6.554 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.865 2.306 -6.468 1.00 0.00 C ATOM 0 H LEU A 69 0.303 6.050 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.025 3.317 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.563 4.107 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.423 2.491 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 69 2.022 3.495 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.930 4.814 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.593 5.676 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.317 4.841 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.937 2.320 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.323 2.334 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.607 1.395 -7.007 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.405 3.856 -10.155 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.859 4.122 -10.382 1.00 0.00 C ATOM 1116 C ARG A 70 -4.692 2.891 -10.024 1.00 0.00 C ATOM 1117 O ARG A 70 -4.241 1.764 -10.118 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.085 4.466 -11.851 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.397 5.792 -12.181 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.527 6.072 -13.681 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.964 6.274 -14.022 1.00 0.00 N ATOM 1122 CZ ARG A 70 -5.339 6.383 -15.269 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.458 6.314 -16.231 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.600 6.563 -15.554 1.00 0.00 N ATOM 0 H ARG A 70 -1.966 3.250 -10.848 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.166 4.954 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.690 3.672 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.153 4.538 -12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.849 6.602 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.345 5.749 -11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.950 6.957 -13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.119 5.240 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.659 6.327 -13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.472 6.174 -16.010 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.756 6.400 -17.203 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.289 6.618 -14.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.896 6.648 -16.526 1.00 0.00 H new ATOM 1138 N SER A 71 -5.915 3.118 -9.621 1.00 0.00 N ATOM 1139 CA SER A 71 -6.834 2.003 -9.258 1.00 0.00 C ATOM 1140 C SER A 71 -6.219 1.137 -8.163 1.00 0.00 C ATOM 1141 O SER A 71 -6.039 -0.050 -8.336 1.00 0.00 O ATOM 1142 CB SER A 71 -7.127 1.153 -10.500 1.00 0.00 C ATOM 1143 OG SER A 71 -8.156 1.778 -11.254 1.00 0.00 O ATOM 0 H SER A 71 -6.322 4.049 -9.527 1.00 0.00 H new ATOM 0 HA SER A 71 -7.766 2.423 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.227 1.048 -11.106 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.432 0.149 -10.206 1.00 0.00 H new ATOM 0 HG SER A 71 -8.349 1.242 -12.051 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.907 1.720 -7.031 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.312 0.931 -5.905 1.00 0.00 C ATOM 1151 C VAL A 72 -6.306 0.862 -4.753 1.00 0.00 C ATOM 1152 O VAL A 72 -7.277 1.593 -4.713 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.020 1.592 -5.432 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.941 1.423 -6.503 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.259 3.086 -5.184 1.00 0.00 C ATOM 0 H VAL A 72 -6.039 2.713 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.088 -0.078 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.695 1.121 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.018 1.895 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.764 0.362 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.271 1.892 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.333 3.552 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.588 3.560 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.027 3.210 -4.420 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.071 -0.031 -3.823 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.000 -0.189 -2.659 1.00 0.00 C ATOM 1167 C VAL A 73 -6.223 -0.023 -1.353 1.00 0.00 C ATOM 1168 O VAL A 73 -5.057 -0.355 -1.257 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.653 -1.572 -2.717 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.592 -2.662 -2.559 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.680 -1.692 -1.592 1.00 0.00 C ATOM 0 H VAL A 73 -5.270 -0.662 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.777 0.574 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.146 -1.695 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.068 -3.642 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.861 -2.578 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.090 -2.544 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.148 -2.676 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.183 -1.563 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.443 -0.923 -1.712 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.870 0.507 -0.349 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.191 0.727 0.962 1.00 0.00 C ATOM 1183 C VAL A 74 -6.319 -0.527 1.824 1.00 0.00 C ATOM 1184 O VAL A 74 -7.394 -1.070 1.988 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.847 1.911 1.669 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.175 2.139 3.023 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.687 3.159 0.801 1.00 0.00 C ATOM 0 H VAL A 74 -7.847 0.799 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.134 0.938 0.799 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.906 1.704 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.645 2.985 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.284 1.246 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.116 2.350 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.153 4.010 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.627 3.363 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.167 2.995 -0.164 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.224 -0.990 2.375 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.250 -2.214 3.230 1.00 0.00 C ATOM 1199 C GLY A 75 -5.126 -1.829 4.702 1.00 0.00 C ATOM 1200 O GLY A 75 -4.478 -0.861 5.053 1.00 0.00 O ATOM 0 H GLY A 75 -4.303 -0.566 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.178 -2.762 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.434 -2.880 2.950 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.748 -2.583 5.568 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.679 -2.275 7.027 1.00 0.00 C ATOM 1206 C GLU A 76 -4.589 -3.131 7.674 1.00 0.00 C ATOM 1207 O GLU A 76 -4.771 -4.308 7.916 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.029 -2.596 7.670 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.009 -2.170 9.137 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.356 -2.493 9.785 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.567 -3.647 10.120 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.152 -1.582 9.935 1.00 0.00 O ATOM 0 H GLU A 76 -6.304 -3.403 5.327 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.445 -1.220 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.828 -2.077 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.236 -3.663 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.207 -2.686 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.805 -1.102 9.213 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.455 -2.541 7.956 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.335 -3.305 8.587 1.00 0.00 C ATOM 1221 C TYR A 77 -2.285 -2.989 10.085 1.00 0.00 C ATOM 1222 O TYR A 77 -1.894 -1.916 10.499 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.021 -2.903 7.913 1.00 0.00 C ATOM 1224 CG TYR A 77 0.115 -3.709 8.494 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.432 -4.963 7.956 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.849 -3.204 9.571 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.486 -5.710 8.497 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.903 -3.950 10.112 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.220 -5.204 9.576 1.00 0.00 C ATOM 1230 OH TYR A 77 3.259 -5.939 10.110 1.00 0.00 O ATOM 0 H TYR A 77 -3.255 -1.557 7.775 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.491 -4.376 8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.086 -3.071 6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.837 -1.839 8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.136 -5.354 7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.603 -2.238 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.732 -6.676 8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.471 -3.558 10.943 1.00 0.00 H new ATOM 0 HH TYR A 77 3.664 -5.442 10.852 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.682 -3.935 10.893 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.679 -3.747 12.375 1.00 0.00 C ATOM 1242 C ASN A 78 -3.139 -2.330 12.741 1.00 0.00 C ATOM 1243 O ASN A 78 -4.270 -1.954 12.507 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.267 -3.983 12.924 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.278 -3.828 14.448 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -2.239 -4.188 15.098 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.243 -3.307 15.050 1.00 0.00 N ATOM 0 H ASN A 78 -3.015 -4.848 10.583 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.370 -4.466 12.816 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.922 -4.980 12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.570 -3.272 12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.242 -3.203 16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.565 -3.004 14.506 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.269 -1.549 13.328 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.640 -0.158 13.728 1.00 0.00 C ATOM 1256 C ASP A 79 -2.255 0.820 12.619 1.00 0.00 C ATOM 1257 O ASP A 79 -2.742 1.930 12.568 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.892 0.214 15.013 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.455 -0.596 16.181 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.533 -1.147 16.027 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.803 -0.651 17.211 1.00 0.00 O ATOM 0 H ASP A 79 -1.310 -1.817 13.549 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.716 -0.106 13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.827 0.014 14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.997 1.281 15.212 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.373 0.425 11.738 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.942 1.342 10.638 1.00 0.00 C ATOM 1268 C ARG A 80 -1.719 1.041 9.362 1.00 0.00 C ATOM 1269 O ARG A 80 -2.272 -0.028 9.190 1.00 0.00 O ATOM 1270 CB ARG A 80 0.548 1.152 10.375 1.00 0.00 C ATOM 1271 CG ARG A 80 1.346 1.710 11.555 1.00 0.00 C ATOM 1272 CD ARG A 80 2.835 1.451 11.326 1.00 0.00 C ATOM 1273 NE ARG A 80 3.623 2.038 12.449 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.845 1.348 13.537 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.358 0.143 13.666 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.557 1.868 14.499 1.00 0.00 N ATOM 0 H ARG A 80 -0.931 -0.494 11.732 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.139 2.371 10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.772 0.094 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.834 1.661 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.163 2.779 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.022 1.239 12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.022 0.379 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.150 1.890 10.379 1.00 0.00 H new ATOM 0 HE ARG A 80 3.992 2.986 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.801 -0.265 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.535 -0.390 14.517 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.938 2.809 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.733 1.333 15.350 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.763 1.987 8.463 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.500 1.792 7.177 1.00 0.00 C ATOM 1292 C PHE A 81 -1.496 1.713 6.028 1.00 0.00 C ATOM 1293 O PHE A 81 -0.408 2.253 6.102 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.448 2.970 6.963 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.570 2.898 7.974 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.711 2.133 7.700 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.469 3.593 9.186 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.752 2.067 8.635 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.511 3.527 10.121 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.651 2.763 9.846 1.00 0.00 C ATOM 0 H PHE A 81 -1.315 2.898 8.564 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.076 0.867 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.907 3.911 7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.853 2.947 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.788 1.594 6.767 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.588 4.180 9.400 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.633 1.479 8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.434 4.066 11.054 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.453 2.710 10.568 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.849 1.039 4.966 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.914 0.917 3.811 1.00 0.00 C ATOM 1312 C GLN A 82 -1.712 0.740 2.520 1.00 0.00 C ATOM 1313 O GLN A 82 -2.887 0.429 2.542 1.00 0.00 O ATOM 1314 CB GLN A 82 0.012 -0.290 4.018 1.00 0.00 C ATOM 1315 CG GLN A 82 -0.809 -1.589 4.046 1.00 0.00 C ATOM 1316 CD GLN A 82 0.107 -2.777 4.376 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.871 -2.729 5.320 1.00 0.00 O ATOM 1318 NE2 GLN A 82 0.058 -3.852 3.632 1.00 0.00 N ATOM 0 H GLN A 82 -2.746 0.567 4.849 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.311 1.822 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.749 -0.334 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.563 -0.179 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.602 -1.512 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.291 -1.746 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.582 -3.895 2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.660 -4.647 3.845 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.076 0.937 1.392 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.785 0.785 0.083 1.00 0.00 C ATOM 1329 C VAL A 83 -1.393 -0.548 -0.545 1.00 0.00 C ATOM 1330 O VAL A 83 -0.228 -0.858 -0.695 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.376 1.926 -0.853 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.640 3.264 -0.163 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.114 1.814 -1.198 1.00 0.00 C ATOM 0 H VAL A 83 -0.092 1.198 1.321 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.863 0.815 0.243 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.959 1.863 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.350 4.079 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.701 3.348 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.058 3.320 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.396 2.630 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.705 1.872 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.302 0.861 -1.692 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.364 -1.346 -0.904 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.068 -2.676 -1.521 1.00 0.00 C ATOM 1345 C GLN A 84 -2.344 -2.610 -3.018 1.00 0.00 C ATOM 1346 O GLN A 84 -3.399 -2.188 -3.447 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.960 -3.741 -0.888 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.547 -3.950 0.569 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.496 -4.951 1.229 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.370 -5.492 0.583 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.359 -5.224 2.498 1.00 0.00 N ATOM 0 H GLN A 84 -3.356 -1.134 -0.796 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.022 -2.931 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.005 -3.434 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.874 -4.677 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.522 -4.317 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.572 -3.001 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.625 -4.770 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.986 -5.892 2.947 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.396 -3.023 -3.815 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.577 -2.995 -5.296 1.00 0.00 C ATOM 1362 C VAL A 85 -1.858 -4.411 -5.794 1.00 0.00 C ATOM 1363 O VAL A 85 -1.208 -5.362 -5.400 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.307 -2.460 -5.953 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.505 -2.420 -7.467 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.027 -1.046 -5.438 1.00 0.00 C ATOM 0 H VAL A 85 -0.495 -3.382 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.415 -2.346 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 85 0.535 -3.108 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.399 -2.039 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.711 -3.426 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.344 -1.767 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.879 -0.661 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.866 -0.396 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.106 -1.072 -4.356 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.836 -4.560 -6.647 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.179 -5.914 -7.170 1.00 0.00 C ATOM 1378 C ASN A 86 -3.665 -5.802 -8.616 1.00 0.00 C ATOM 1379 O ASN A 86 -3.644 -4.748 -9.220 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.288 -6.531 -6.314 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.472 -5.563 -6.220 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -6.410 -5.658 -6.986 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.468 -4.631 -5.309 1.00 0.00 N ATOM 0 H ASN A 86 -3.414 -3.800 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.291 -6.546 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.613 -7.476 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.909 -6.754 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.252 -3.982 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.681 -4.550 -4.665 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.105 -6.896 -9.160 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.617 -6.915 -10.561 1.00 0.00 C ATOM 1392 C LYS A 87 -5.529 -5.708 -10.799 1.00 0.00 C ATOM 1393 O LYS A 87 -5.868 -4.990 -9.881 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.410 -8.207 -10.783 1.00 0.00 C ATOM 1395 CG LYS A 87 -6.353 -8.474 -9.585 1.00 0.00 C ATOM 1396 CD LYS A 87 -7.648 -7.661 -9.728 1.00 0.00 C ATOM 1397 CE LYS A 87 -8.727 -8.258 -8.837 1.00 0.00 C ATOM 1398 NZ LYS A 87 -8.304 -8.167 -7.411 1.00 0.00 N ATOM 0 H LYS A 87 -4.134 -7.799 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.779 -6.869 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.992 -8.131 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.724 -9.045 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.588 -9.537 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.852 -8.210 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.469 -6.622 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.978 -7.663 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.668 -7.727 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.903 -9.299 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.143 -8.061 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.792 -9.032 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.681 -7.344 -7.286 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.930 -5.480 -12.022 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.824 -4.319 -12.317 1.00 0.00 C ATOM 1414 C ASN A 88 -6.062 -3.009 -12.086 1.00 0.00 C ATOM 1415 O ASN A 88 -6.354 -1.997 -12.692 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.054 -4.371 -11.390 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.229 -3.633 -12.036 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.948 -4.195 -12.836 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.454 -2.388 -11.717 1.00 0.00 N ATOM 0 H ASN A 88 -5.677 -6.048 -12.831 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.149 -4.367 -13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.328 -5.408 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.814 -3.918 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.235 -1.886 -12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.849 -1.917 -11.044 1.00 0.00 H new ATOM 1426 N SER A 89 -5.094 -3.016 -11.209 1.00 0.00 N ATOM 1427 CA SER A 89 -4.326 -1.773 -10.931 1.00 0.00 C ATOM 1428 C SER A 89 -3.275 -1.552 -12.017 1.00 0.00 C ATOM 1429 O SER A 89 -2.992 -2.426 -12.812 1.00 0.00 O ATOM 1430 CB SER A 89 -3.638 -1.892 -9.572 1.00 0.00 C ATOM 1431 OG SER A 89 -2.425 -2.618 -9.722 1.00 0.00 O ATOM 0 H SER A 89 -4.803 -3.833 -10.673 1.00 0.00 H new ATOM 0 HA SER A 89 -5.012 -0.926 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.434 -0.901 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.293 -2.398 -8.863 1.00 0.00 H new ATOM 0 HG SER A 89 -2.621 -3.577 -9.762 1.00 0.00 H new ATOM 1437 N SER A 90 -2.702 -0.377 -12.060 1.00 0.00 N ATOM 1438 CA SER A 90 -1.670 -0.074 -13.097 1.00 0.00 C ATOM 1439 C SER A 90 -0.561 0.767 -12.478 1.00 0.00 C ATOM 1440 O SER A 90 -0.746 1.396 -11.454 1.00 0.00 O ATOM 1441 CB SER A 90 -2.314 0.698 -14.242 1.00 0.00 C ATOM 1442 OG SER A 90 -2.991 1.834 -13.721 1.00 0.00 O ATOM 0 H SER A 90 -2.905 0.389 -11.418 1.00 0.00 H new ATOM 0 HA SER A 90 -1.251 -1.006 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.554 1.010 -14.958 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.014 0.058 -14.779 1.00 0.00 H new ATOM 0 HG SER A 90 -3.405 2.334 -14.456 1.00 0.00 H new ATOM 1448 N ILE A 91 0.590 0.796 -13.101 1.00 0.00 N ATOM 1449 CA ILE A 91 1.726 1.601 -12.564 1.00 0.00 C ATOM 1450 C ILE A 91 2.451 2.295 -13.715 1.00 0.00 C ATOM 1451 O ILE A 91 2.770 1.681 -14.713 1.00 0.00 O ATOM 1452 CB ILE A 91 2.705 0.680 -11.836 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.016 0.066 -10.613 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.922 1.491 -11.388 1.00 0.00 C ATOM 1455 CD1 ILE A 91 2.910 -1.012 -10.008 1.00 0.00 C ATOM 0 H ILE A 91 0.792 0.292 -13.965 1.00 0.00 H new ATOM 0 HA ILE A 91 1.341 2.349 -11.871 1.00 0.00 H new ATOM 0 HB ILE A 91 3.026 -0.118 -12.506 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.810 0.839 -9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.056 -0.363 -10.901 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.623 0.838 -10.868 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.410 1.927 -12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.601 2.287 -10.716 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.418 -1.447 -9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.093 -1.791 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.859 -0.570 -9.704 1.00 0.00 H new ATOM 1467 N GLU A 92 2.717 3.572 -13.578 1.00 0.00 N ATOM 1468 CA GLU A 92 3.435 4.325 -14.657 1.00 0.00 C ATOM 1469 C GLU A 92 4.619 5.076 -14.049 1.00 0.00 C ATOM 1470 O GLU A 92 4.491 5.777 -13.064 1.00 0.00 O ATOM 1471 CB GLU A 92 2.473 5.323 -15.310 1.00 0.00 C ATOM 1472 CG GLU A 92 3.191 6.059 -16.446 1.00 0.00 C ATOM 1473 CD GLU A 92 2.217 7.018 -17.132 1.00 0.00 C ATOM 1474 OE1 GLU A 92 1.024 6.873 -16.920 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.680 7.883 -17.858 1.00 0.00 O ATOM 0 H GLU A 92 2.466 4.129 -12.761 1.00 0.00 H new ATOM 0 HA GLU A 92 3.797 3.626 -15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.598 4.801 -15.697 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.115 6.038 -14.569 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.045 6.611 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.581 5.342 -17.168 1.00 0.00 H new ATOM 1482 N LYS A 93 5.772 4.929 -14.638 1.00 0.00 N ATOM 1483 CA LYS A 93 6.985 5.622 -14.120 1.00 0.00 C ATOM 1484 C LYS A 93 6.996 7.063 -14.622 1.00 0.00 C ATOM 1485 O LYS A 93 6.576 7.343 -15.728 1.00 0.00 O ATOM 1486 CB LYS A 93 8.232 4.890 -14.615 1.00 0.00 C ATOM 1487 CG LYS A 93 9.485 5.536 -14.018 1.00 0.00 C ATOM 1488 CD LYS A 93 10.723 4.753 -14.468 1.00 0.00 C ATOM 1489 CE LYS A 93 11.979 5.383 -13.862 1.00 0.00 C ATOM 1490 NZ LYS A 93 13.181 4.615 -14.298 1.00 0.00 N ATOM 0 H LYS A 93 5.928 4.352 -15.465 1.00 0.00 H new ATOM 0 HA LYS A 93 6.975 5.622 -13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.184 3.839 -14.332 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.277 4.925 -15.703 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.561 6.575 -14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.421 5.543 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.640 3.712 -14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.792 4.756 -15.556 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.065 6.423 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.910 5.384 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.710 4.294 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.882 3.790 -14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.791 5.225 -14.880 1.00 0.00 H new ATOM 1504 N LEU A 94 7.467 7.980 -13.812 1.00 0.00 N ATOM 1505 CA LEU A 94 7.507 9.420 -14.219 1.00 0.00 C ATOM 1506 C LEU A 94 8.945 9.923 -14.217 1.00 0.00 C ATOM 1507 O LEU A 94 9.759 9.525 -13.409 1.00 0.00 O ATOM 1508 CB LEU A 94 6.668 10.243 -13.233 1.00 0.00 C ATOM 1509 CG LEU A 94 5.159 10.070 -13.541 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.612 8.839 -12.805 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.397 11.322 -13.091 1.00 0.00 C ATOM 0 H LEU A 94 7.829 7.790 -12.877 1.00 0.00 H new ATOM 0 HA LEU A 94 7.100 9.525 -15.225 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.877 9.924 -12.212 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.942 11.296 -13.301 1.00 0.00 H new ATOM 0 HG LEU A 94 5.026 9.931 -14.614 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.551 8.724 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.150 7.950 -13.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.746 8.968 -11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.336 11.200 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.534 11.466 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.779 12.192 -13.625 1.00 0.00 H new ATOM 1523 N SER A 95 9.254 10.798 -15.130 1.00 0.00 N ATOM 1524 CA SER A 95 10.630 11.352 -15.217 1.00 0.00 C ATOM 1525 C SER A 95 10.755 12.548 -14.284 1.00 0.00 C ATOM 1526 O SER A 95 11.670 13.341 -14.411 1.00 0.00 O ATOM 1527 CB SER A 95 10.892 11.806 -16.652 1.00 0.00 C ATOM 1528 OG SER A 95 10.015 12.882 -16.970 1.00 0.00 O ATOM 0 H SER A 95 8.603 11.157 -15.828 1.00 0.00 H new ATOM 0 HA SER A 95 11.353 10.589 -14.929 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.929 12.122 -16.763 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.736 10.977 -17.343 1.00 0.00 H new ATOM 0 HG SER A 95 10.180 13.178 -17.889 1.00 0.00 H new ATOM 1534 N GLU A 96 9.840 12.693 -13.349 1.00 0.00 N ATOM 1535 CA GLU A 96 9.892 13.849 -12.408 1.00 0.00 C ATOM 1536 C GLU A 96 10.027 13.331 -10.962 1.00 0.00 C ATOM 1537 O GLU A 96 9.162 12.627 -10.475 1.00 0.00 O ATOM 1538 CB GLU A 96 8.617 14.665 -12.532 1.00 0.00 C ATOM 1539 CG GLU A 96 8.709 15.898 -11.624 1.00 0.00 C ATOM 1540 CD GLU A 96 7.622 16.898 -12.021 1.00 0.00 C ATOM 1541 OE1 GLU A 96 7.339 16.997 -13.204 1.00 0.00 O ATOM 1542 OE2 GLU A 96 7.088 17.547 -11.137 1.00 0.00 O ATOM 0 H GLU A 96 9.059 12.054 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 96 10.750 14.475 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.469 14.973 -13.567 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.756 14.058 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.588 15.606 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.693 16.358 -11.714 1.00 0.00 H new ATOM 1549 N PRO A 97 11.100 13.666 -10.279 1.00 0.00 N ATOM 1550 CA PRO A 97 11.334 13.216 -8.877 1.00 0.00 C ATOM 1551 C PRO A 97 10.467 13.972 -7.871 1.00 0.00 C ATOM 1552 O PRO A 97 10.012 15.067 -8.130 1.00 0.00 O ATOM 1553 CB PRO A 97 12.826 13.503 -8.654 1.00 0.00 C ATOM 1554 CG PRO A 97 13.144 14.642 -9.571 1.00 0.00 C ATOM 1555 CD PRO A 97 12.201 14.521 -10.758 1.00 0.00 C ATOM 0 HA PRO A 97 11.071 12.168 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.026 13.765 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.435 12.629 -8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.008 15.597 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.184 14.599 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.835 15.498 -11.073 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.702 14.076 -11.618 1.00 0.00 H new ATOM 1563 N ILE A 98 10.249 13.391 -6.720 1.00 0.00 N ATOM 1564 CA ILE A 98 9.416 14.056 -5.666 1.00 0.00 C ATOM 1565 C ILE A 98 10.309 14.521 -4.525 1.00 0.00 C ATOM 1566 O ILE A 98 11.199 13.817 -4.096 1.00 0.00 O ATOM 1567 CB ILE A 98 8.375 13.068 -5.151 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.492 12.615 -6.323 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.513 13.742 -4.085 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.779 13.821 -6.961 1.00 0.00 C ATOM 0 H ILE A 98 10.615 12.475 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 98 8.909 14.923 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 98 8.872 12.203 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.102 12.109 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.754 11.893 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.769 13.035 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.145 14.067 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.009 14.606 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.158 13.480 -7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.152 14.310 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.521 14.528 -7.331 1.00 0.00 H new ATOM 1582 N GLU A 99 10.077 15.709 -4.027 1.00 0.00 N ATOM 1583 CA GLU A 99 10.912 16.237 -2.911 1.00 0.00 C ATOM 1584 C GLU A 99 10.216 15.973 -1.580 1.00 0.00 C ATOM 1585 O GLU A 99 9.104 16.404 -1.346 1.00 0.00 O ATOM 1586 CB GLU A 99 11.111 17.746 -3.100 1.00 0.00 C ATOM 1587 CG GLU A 99 12.050 18.289 -2.016 1.00 0.00 C ATOM 1588 CD GLU A 99 12.259 19.794 -2.224 1.00 0.00 C ATOM 1589 OE1 GLU A 99 11.526 20.372 -3.010 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.148 20.341 -1.593 1.00 0.00 O ATOM 0 H GLU A 99 9.341 16.337 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 99 11.881 15.738 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.527 17.946 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.150 18.257 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.628 18.103 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.007 17.770 -2.056 1.00 0.00 H new ATOM 1597 N VAL A 100 10.882 15.270 -0.702 1.00 0.00 N ATOM 1598 CA VAL A 100 10.307 14.964 0.640 1.00 0.00 C ATOM 1599 C VAL A 100 11.242 15.541 1.700 1.00 0.00 C ATOM 1600 O VAL A 100 12.051 14.843 2.271 1.00 0.00 O ATOM 1601 CB VAL A 100 10.204 13.446 0.806 1.00 0.00 C ATOM 1602 CG1 VAL A 100 9.669 13.115 2.201 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.248 12.889 -0.252 1.00 0.00 C ATOM 0 H VAL A 100 11.815 14.889 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 100 9.314 15.400 0.743 1.00 0.00 H new ATOM 0 HB VAL A 100 11.190 12.998 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.597 12.033 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.347 13.516 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.682 13.560 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.170 11.808 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.263 13.339 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.629 13.123 -1.246 1.00 0.00 H new ATOM 1613 N GLY A 101 11.138 16.824 1.953 1.00 0.00 N ATOM 1614 CA GLY A 101 12.016 17.487 2.972 1.00 0.00 C ATOM 1615 C GLY A 101 11.143 18.082 4.075 1.00 0.00 C ATOM 1616 O GLY A 101 11.562 18.947 4.815 1.00 0.00 O ATOM 0 H GLY A 101 10.475 17.448 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.714 16.764 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.613 18.269 2.502 1.00 0.00 H new ATOM 1620 N LEU A 102 9.930 17.621 4.188 1.00 0.00 N ATOM 1621 CA LEU A 102 9.018 18.150 5.238 1.00 0.00 C ATOM 1622 C LEU A 102 9.601 17.857 6.624 1.00 0.00 C ATOM 1623 O LEU A 102 9.517 18.662 7.531 1.00 0.00 O ATOM 1624 CB LEU A 102 7.650 17.466 5.103 1.00 0.00 C ATOM 1625 CG LEU A 102 6.577 18.300 5.830 1.00 0.00 C ATOM 1626 CD1 LEU A 102 6.025 19.376 4.884 1.00 0.00 C ATOM 1627 CD2 LEU A 102 5.434 17.389 6.287 1.00 0.00 C ATOM 0 H LEU A 102 9.529 16.896 3.594 1.00 0.00 H new ATOM 0 HA LEU A 102 8.907 19.228 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.389 17.358 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.692 16.462 5.525 1.00 0.00 H new ATOM 0 HG LEU A 102 7.028 18.779 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.267 19.963 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.836 20.031 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.580 18.899 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.678 17.983 6.800 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.987 16.904 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.823 16.631 6.967 1.00 0.00 H new ATOM 1639 N GLU A 103 10.174 16.700 6.787 1.00 0.00 N ATOM 1640 CA GLU A 103 10.765 16.309 8.100 1.00 0.00 C ATOM 1641 C GLU A 103 11.676 17.424 8.617 1.00 0.00 C ATOM 1642 O GLU A 103 12.069 17.435 9.767 1.00 0.00 O ATOM 1643 CB GLU A 103 11.584 15.034 7.899 1.00 0.00 C ATOM 1644 CG GLU A 103 10.642 13.869 7.588 1.00 0.00 C ATOM 1645 CD GLU A 103 11.464 12.617 7.280 1.00 0.00 C ATOM 1646 OE1 GLU A 103 12.679 12.692 7.372 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.867 11.605 6.954 1.00 0.00 O ATOM 0 H GLU A 103 10.261 15.995 6.055 1.00 0.00 H new ATOM 0 HA GLU A 103 9.971 16.140 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.294 15.170 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.165 14.817 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.982 13.684 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.007 14.118 6.738 1.00 0.00 H new ATOM 1654 N HIS A 104 12.009 18.364 7.778 1.00 0.00 N ATOM 1655 CA HIS A 104 12.885 19.488 8.211 1.00 0.00 C ATOM 1656 C HIS A 104 12.009 20.611 8.770 1.00 0.00 C ATOM 1657 O HIS A 104 11.064 21.046 8.144 1.00 0.00 O ATOM 1658 CB HIS A 104 13.680 20.000 7.005 1.00 0.00 C ATOM 1659 CG HIS A 104 14.677 18.955 6.584 1.00 0.00 C ATOM 1660 ND1 HIS A 104 14.343 17.914 5.730 1.00 0.00 N ATOM 1661 CD2 HIS A 104 16.003 18.774 6.891 1.00 0.00 C ATOM 1662 CE1 HIS A 104 15.445 17.163 5.555 1.00 0.00 C ATOM 1663 NE2 HIS A 104 16.486 17.643 6.240 1.00 0.00 N ATOM 0 H HIS A 104 11.710 18.402 6.804 1.00 0.00 H new ATOM 0 HA HIS A 104 13.579 19.149 8.981 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.005 20.227 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.194 20.927 7.261 1.00 0.00 H new ATOM 0 HD1 HIS A 104 13.428 17.748 5.311 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.584 19.413 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.483 16.279 4.936 1.00 0.00 H new ATOM 1671 N HIS A 105 12.309 21.070 9.955 1.00 0.00 N ATOM 1672 CA HIS A 105 11.497 22.156 10.581 1.00 0.00 C ATOM 1673 C HIS A 105 12.404 23.014 11.465 1.00 0.00 C ATOM 1674 O HIS A 105 12.031 23.418 12.547 1.00 0.00 O ATOM 1675 CB HIS A 105 10.392 21.532 11.438 1.00 0.00 C ATOM 1676 CG HIS A 105 11.008 20.626 12.470 1.00 0.00 C ATOM 1677 ND1 HIS A 105 11.487 19.364 12.153 1.00 0.00 N ATOM 1678 CD2 HIS A 105 11.224 20.782 13.817 1.00 0.00 C ATOM 1679 CE1 HIS A 105 11.963 18.815 13.286 1.00 0.00 C ATOM 1680 NE2 HIS A 105 11.827 19.637 14.330 1.00 0.00 N ATOM 0 H HIS A 105 13.089 20.737 10.522 1.00 0.00 H new ATOM 0 HA HIS A 105 11.049 22.776 9.805 1.00 0.00 H new ATOM 0 HB2 HIS A 105 9.810 22.314 11.926 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.703 20.968 10.808 1.00 0.00 H new ATOM 0 HD1 HIS A 105 11.480 18.931 11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 105 10.965 21.659 14.391 1.00 0.00 H new ATOM 0 HE1 HIS A 105 12.402 17.830 13.344 1.00 0.00 H new ATOM 1688 N HIS A 106 13.598 23.284 11.013 1.00 0.00 N ATOM 1689 CA HIS A 106 14.541 24.104 11.825 1.00 0.00 C ATOM 1690 C HIS A 106 14.578 23.568 13.258 1.00 0.00 C ATOM 1691 O HIS A 106 13.780 23.940 14.096 1.00 0.00 O ATOM 1692 CB HIS A 106 14.086 25.565 11.830 1.00 0.00 C ATOM 1693 CG HIS A 106 15.030 26.375 12.674 1.00 0.00 C ATOM 1694 ND1 HIS A 106 16.303 26.714 12.241 1.00 0.00 N ATOM 1695 CD2 HIS A 106 14.905 26.916 13.929 1.00 0.00 C ATOM 1696 CE1 HIS A 106 16.887 27.428 13.221 1.00 0.00 C ATOM 1697 NE2 HIS A 106 16.079 27.580 14.273 1.00 0.00 N ATOM 0 H HIS A 106 13.962 22.971 10.113 1.00 0.00 H new ATOM 0 HA HIS A 106 15.539 24.044 11.390 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.064 25.955 10.812 1.00 0.00 H new ATOM 0 HB3 HIS A 106 13.072 25.641 12.223 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.028 26.838 14.555 1.00 0.00 H new ATOM 0 HE1 HIS A 106 17.888 27.829 13.163 1.00 0.00 H new ATOM 0 HE2 HIS A 106 16.279 28.076 15.142 1.00 0.00 H new ATOM 1705 N HIS A 107 15.502 22.685 13.538 1.00 0.00 N ATOM 1706 CA HIS A 107 15.605 22.102 14.908 1.00 0.00 C ATOM 1707 C HIS A 107 17.072 21.802 15.225 1.00 0.00 C ATOM 1708 O HIS A 107 17.608 22.254 16.217 1.00 0.00 O ATOM 1709 CB HIS A 107 14.807 20.799 14.956 1.00 0.00 C ATOM 1710 CG HIS A 107 14.678 20.339 16.381 1.00 0.00 C ATOM 1711 ND1 HIS A 107 15.688 19.649 17.034 1.00 0.00 N ATOM 1712 CD2 HIS A 107 13.660 20.464 17.294 1.00 0.00 C ATOM 1713 CE1 HIS A 107 15.260 19.389 18.283 1.00 0.00 C ATOM 1714 NE2 HIS A 107 14.030 19.864 18.493 1.00 0.00 N ATOM 0 H HIS A 107 16.193 22.341 12.872 1.00 0.00 H new ATOM 0 HA HIS A 107 15.210 22.809 15.638 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.819 20.950 14.521 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.304 20.034 14.360 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.715 20.954 17.109 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.840 18.861 19.025 1.00 0.00 H new ATOM 0 HE2 HIS A 107 13.480 19.800 19.349 1.00 0.00 H new ATOM 1722 N HIS A 108 17.725 21.040 14.389 1.00 0.00 N ATOM 1723 CA HIS A 108 19.156 20.705 14.638 1.00 0.00 C ATOM 1724 C HIS A 108 19.846 20.382 13.310 1.00 0.00 C ATOM 1725 O HIS A 108 19.286 19.735 12.446 1.00 0.00 O ATOM 1726 CB HIS A 108 19.245 19.495 15.572 1.00 0.00 C ATOM 1727 CG HIS A 108 20.689 19.169 15.831 1.00 0.00 C ATOM 1728 ND1 HIS A 108 21.531 20.031 16.517 1.00 0.00 N ATOM 1729 CD2 HIS A 108 21.454 18.076 15.506 1.00 0.00 C ATOM 1730 CE1 HIS A 108 22.742 19.448 16.581 1.00 0.00 C ATOM 1731 NE2 HIS A 108 22.750 18.254 15.981 1.00 0.00 N ATOM 0 H HIS A 108 17.327 20.634 13.542 1.00 0.00 H new ATOM 0 HA HIS A 108 19.651 21.557 15.104 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.735 19.709 16.511 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.742 18.638 15.124 1.00 0.00 H new ATOM 0 HD2 HIS A 108 21.103 17.210 14.964 1.00 0.00 H new ATOM 0 HE1 HIS A 108 23.603 19.891 17.059 1.00 0.00 H new ATOM 0 HE2 HIS A 108 23.537 17.611 15.891 1.00 0.00 H new ATOM 1739 N HIS A 109 21.060 20.834 13.145 1.00 0.00 N ATOM 1740 CA HIS A 109 21.804 20.568 11.881 1.00 0.00 C ATOM 1741 C HIS A 109 22.191 19.088 11.814 1.00 0.00 C ATOM 1742 O HIS A 109 23.377 18.810 11.745 1.00 0.00 O ATOM 1743 CB HIS A 109 23.071 21.425 11.857 1.00 0.00 C ATOM 1744 CG HIS A 109 22.697 22.883 11.830 1.00 0.00 C ATOM 1745 ND1 HIS A 109 23.632 23.888 12.023 1.00 0.00 N ATOM 1746 CD2 HIS A 109 21.497 23.521 11.635 1.00 0.00 C ATOM 1747 CE1 HIS A 109 22.986 25.065 11.940 1.00 0.00 C ATOM 1748 NE2 HIS A 109 21.682 24.899 11.705 1.00 0.00 N ATOM 1749 OXT HIS A 109 21.295 18.260 11.831 1.00 0.00 O ATOM 0 H HIS A 109 21.572 21.380 13.838 1.00 0.00 H new ATOM 0 HA HIS A 109 21.174 20.815 11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 109 23.682 21.213 12.734 1.00 0.00 H new ATOM 0 HB3 HIS A 109 23.672 21.178 10.982 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.553 23.029 11.455 1.00 0.00 H new ATOM 0 HE1 HIS A 109 23.464 26.027 12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.974 25.626 11.599 1.00 0.00 H new TER 1757 HIS A 109