USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 35 SER OG : rot -160:sc= 1.03 USER MOD Set 1.2: A 83 ASN : amide:sc= 0.769 K(o=1.8,f=-6.4!) USER MOD Set 2.1: A 18 THR OG1 : rot 36:sc= 1.98 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 1.14 K(o=3.1,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.143 (180deg=-1.45) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.19 (180deg=-0.152) USER MOD Single : A 5 SER OG : rot 180:sc= -0.101 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.019) USER MOD Single : A 23 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-0.69) USER MOD Single : A 28 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.57) USER MOD Single : A 29 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.028) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.508 USER MOD Single : A 37 MET CE :methyl -172:sc= -0.756 (180deg=-1.02) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -82:sc= 0.778 USER MOD Single : A 47 SER OG : rot 85:sc= 1.27 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 1.55 (180deg=1.48) USER MOD Single : A 60 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.19) USER MOD Single : A 62 SER OG : rot -25:sc= 0.00844 USER MOD Single : A 65 THR OG1 : rot -82:sc= 1.42 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc=-0.00618 (180deg=-0.0984) USER MOD Single : A 75 GLN : amide:sc= -0.363 K(o=-0.36,f=-0.94) USER MOD Single : A 76 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.15) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.2) USER MOD Single : A 92 SER OG : rot -80:sc= 1.18 USER MOD Single : A 97 ASN : amide:sc= 0.627 K(o=0.63,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ -116:sc= 1.25 (180deg=0.105) USER MOD Single : A 103 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 106 HIS : no HE2:sc= 0.487 K(o=0.49,f=-3.8!) USER MOD Single : A 107 HIS : no HD1:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.411 -2.715 -2.798 1.00 0.00 N ATOM 2 CA MET A 1 -13.703 -3.997 -2.600 1.00 0.00 C ATOM 3 C MET A 1 -12.707 -4.226 -3.725 1.00 0.00 C ATOM 4 O MET A 1 -13.063 -4.176 -4.901 1.00 0.00 O ATOM 5 CB MET A 1 -14.701 -5.159 -2.538 1.00 0.00 C ATOM 6 CG MET A 1 -14.047 -6.520 -2.357 1.00 0.00 C ATOM 7 SD MET A 1 -15.252 -7.865 -2.242 1.00 0.00 S ATOM 8 CE MET A 1 -16.096 -7.703 -3.816 1.00 0.00 C ATOM 0 H1 MET A 1 -14.248 -2.098 -1.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.054 -2.250 -3.657 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.431 -2.894 -2.900 1.00 0.00 H new ATOM 0 HA MET A 1 -13.164 -3.950 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.394 -4.987 -1.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.291 -5.169 -3.455 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.376 -6.710 -3.194 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.436 -6.507 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.326 -8.693 -4.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.021 -7.144 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.454 -7.173 -4.520 1.00 0.00 H new ATOM 20 N LEU A 2 -11.465 -4.481 -3.360 1.00 0.00 N ATOM 21 CA LEU A 2 -10.421 -4.718 -4.332 1.00 0.00 C ATOM 22 C LEU A 2 -10.441 -6.174 -4.766 1.00 0.00 C ATOM 23 O LEU A 2 -9.948 -7.060 -4.066 1.00 0.00 O ATOM 24 CB LEU A 2 -9.051 -4.352 -3.752 1.00 0.00 C ATOM 25 CG LEU A 2 -7.872 -4.502 -4.718 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.045 -3.588 -5.921 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.560 -4.208 -4.004 1.00 0.00 C ATOM 0 H LEU A 2 -11.155 -4.529 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.602 -4.087 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.086 -3.320 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.866 -4.977 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.847 -5.532 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.197 -3.709 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.965 -3.846 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.097 -2.552 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.732 -4.319 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.576 -3.188 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.432 -4.906 -3.177 1.00 0.00 H new ATOM 39 N VAL A 3 -11.074 -6.421 -5.892 1.00 0.00 N ATOM 40 CA VAL A 3 -11.115 -7.754 -6.466 1.00 0.00 C ATOM 41 C VAL A 3 -9.823 -8.038 -7.225 1.00 0.00 C ATOM 42 O VAL A 3 -9.567 -7.453 -8.279 1.00 0.00 O ATOM 43 CB VAL A 3 -12.321 -7.929 -7.417 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.387 -9.351 -7.950 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.620 -7.558 -6.715 1.00 0.00 C ATOM 0 H VAL A 3 -11.571 -5.714 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.224 -8.462 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.185 -7.255 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.243 -9.450 -8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.472 -9.577 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.493 -10.047 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.455 -7.689 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.761 -8.202 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.575 -6.518 -6.392 1.00 0.00 H new ATOM 55 N ILE A 4 -9.007 -8.927 -6.673 1.00 0.00 N ATOM 56 CA ILE A 4 -7.749 -9.302 -7.302 1.00 0.00 C ATOM 57 C ILE A 4 -7.942 -10.554 -8.143 1.00 0.00 C ATOM 58 O ILE A 4 -7.443 -10.652 -9.264 1.00 0.00 O ATOM 59 CB ILE A 4 -6.641 -9.556 -6.252 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.435 -8.309 -5.381 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.337 -9.954 -6.932 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.386 -8.487 -4.303 1.00 0.00 C ATOM 0 H ILE A 4 -9.195 -9.402 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.436 -8.472 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.956 -10.379 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.149 -7.473 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.383 -8.043 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.571 -10.128 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.491 -10.866 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.015 -9.153 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.295 -7.565 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.680 -9.301 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.427 -8.723 -4.764 1.00 0.00 H new ATOM 74 N SER A 5 -8.691 -11.497 -7.598 1.00 0.00 N ATOM 75 CA SER A 5 -8.955 -12.756 -8.266 1.00 0.00 C ATOM 76 C SER A 5 -10.361 -13.224 -7.911 1.00 0.00 C ATOM 77 O SER A 5 -11.033 -12.600 -7.087 1.00 0.00 O ATOM 78 CB SER A 5 -7.909 -13.801 -7.851 1.00 0.00 C ATOM 79 OG SER A 5 -8.105 -15.038 -8.518 1.00 0.00 O ATOM 0 H SER A 5 -9.132 -11.410 -6.682 1.00 0.00 H new ATOM 0 HA SER A 5 -8.888 -12.623 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.911 -13.423 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.959 -13.957 -6.773 1.00 0.00 H new ATOM 0 HG SER A 5 -7.420 -15.677 -8.230 1.00 0.00 H new ATOM 85 N ASN A 6 -10.795 -14.320 -8.515 1.00 0.00 N ATOM 86 CA ASN A 6 -12.131 -14.856 -8.274 1.00 0.00 C ATOM 87 C ASN A 6 -12.262 -15.320 -6.826 1.00 0.00 C ATOM 88 O ASN A 6 -13.335 -15.265 -6.232 1.00 0.00 O ATOM 89 CB ASN A 6 -12.411 -16.028 -9.216 1.00 0.00 C ATOM 90 CG ASN A 6 -13.851 -16.503 -9.138 1.00 0.00 C ATOM 91 OD1 ASN A 6 -14.770 -15.705 -8.961 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.057 -17.809 -9.252 1.00 0.00 N ATOM 0 H ASN A 6 -10.240 -14.860 -9.179 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.858 -14.066 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.185 -15.730 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.745 -16.855 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -15.004 -18.183 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.268 -18.439 -9.398 1.00 0.00 H new ATOM 99 N ASN A 7 -11.147 -15.762 -6.262 1.00 0.00 N ATOM 100 CA ASN A 7 -11.137 -16.281 -4.902 1.00 0.00 C ATOM 101 C ASN A 7 -10.373 -15.360 -3.967 1.00 0.00 C ATOM 102 O ASN A 7 -10.144 -15.689 -2.803 1.00 0.00 O ATOM 103 CB ASN A 7 -10.515 -17.676 -4.868 1.00 0.00 C ATOM 104 CG ASN A 7 -11.281 -18.678 -5.709 1.00 0.00 C ATOM 105 OD1 ASN A 7 -10.963 -18.898 -6.882 1.00 0.00 O ATOM 106 ND2 ASN A 7 -12.304 -19.277 -5.127 1.00 0.00 N ATOM 0 H ASN A 7 -10.238 -15.772 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.171 -16.338 -4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.486 -17.620 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.476 -18.027 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.865 -19.950 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.533 -19.067 -4.156 1.00 0.00 H new ATOM 113 N VAL A 8 -9.988 -14.198 -4.469 1.00 0.00 N ATOM 114 CA VAL A 8 -9.230 -13.241 -3.677 1.00 0.00 C ATOM 115 C VAL A 8 -9.898 -11.875 -3.726 1.00 0.00 C ATOM 116 O VAL A 8 -10.009 -11.256 -4.787 1.00 0.00 O ATOM 117 CB VAL A 8 -7.767 -13.109 -4.167 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.989 -12.131 -3.292 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.078 -14.466 -4.191 1.00 0.00 C ATOM 0 H VAL A 8 -10.188 -13.894 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.213 -13.614 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.788 -12.718 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.964 -12.054 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.463 -11.150 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.984 -12.489 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.052 -14.347 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.074 -14.890 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.614 -15.134 -4.865 1.00 0.00 H new ATOM 129 N HIS A 9 -10.323 -11.407 -2.566 1.00 0.00 N ATOM 130 CA HIS A 9 -10.996 -10.119 -2.455 1.00 0.00 C ATOM 131 C HIS A 9 -10.469 -9.361 -1.246 1.00 0.00 C ATOM 132 O HIS A 9 -10.329 -9.931 -0.167 1.00 0.00 O ATOM 133 CB HIS A 9 -12.513 -10.292 -2.302 1.00 0.00 C ATOM 134 CG HIS A 9 -13.147 -11.188 -3.323 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.590 -12.458 -3.031 1.00 0.00 N ATOM 136 CD2 HIS A 9 -13.416 -10.992 -4.633 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.105 -13.002 -4.114 1.00 0.00 C ATOM 138 NE2 HIS A 9 -14.013 -12.135 -5.102 1.00 0.00 N ATOM 0 H HIS A 9 -10.214 -11.901 -1.680 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.794 -9.562 -3.370 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.721 -10.691 -1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.984 -9.311 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.201 -10.101 -5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.531 -13.992 -4.181 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.333 -12.288 -6.058 1.00 0.00 H new ATOM 147 N LEU A 10 -10.174 -8.086 -1.433 1.00 0.00 N ATOM 148 CA LEU A 10 -9.714 -7.248 -0.339 1.00 0.00 C ATOM 149 C LEU A 10 -10.727 -6.152 -0.048 1.00 0.00 C ATOM 150 O LEU A 10 -10.899 -5.230 -0.848 1.00 0.00 O ATOM 151 CB LEU A 10 -8.356 -6.623 -0.671 1.00 0.00 C ATOM 152 CG LEU A 10 -7.179 -7.595 -0.702 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.897 -6.865 -1.066 1.00 0.00 C ATOM 154 CD2 LEU A 10 -7.031 -8.291 0.642 1.00 0.00 C ATOM 0 H LEU A 10 -10.245 -7.609 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.605 -7.875 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.428 -6.134 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.144 -5.845 0.062 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.374 -8.350 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.068 -7.572 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.005 -6.408 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.697 -6.090 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.188 -8.981 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.857 -7.547 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.942 -8.845 0.867 1.00 0.00 H new ATOM 166 N PRO A 11 -11.432 -6.252 1.082 1.00 0.00 N ATOM 167 CA PRO A 11 -12.358 -5.210 1.519 1.00 0.00 C ATOM 168 C PRO A 11 -11.636 -3.906 1.835 1.00 0.00 C ATOM 169 O PRO A 11 -10.501 -3.912 2.313 1.00 0.00 O ATOM 170 CB PRO A 11 -13.000 -5.780 2.786 1.00 0.00 C ATOM 171 CG PRO A 11 -12.093 -6.873 3.239 1.00 0.00 C ATOM 172 CD PRO A 11 -11.399 -7.392 2.010 1.00 0.00 C ATOM 0 HA PRO A 11 -13.084 -4.968 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.102 -5.012 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.001 -6.161 2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.370 -6.501 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.657 -7.666 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.377 -7.701 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.913 -8.260 1.596 1.00 0.00 H new ATOM 180 N ASP A 12 -12.308 -2.794 1.568 1.00 0.00 N ATOM 181 CA ASP A 12 -11.768 -1.468 1.830 1.00 0.00 C ATOM 182 C ASP A 12 -11.400 -1.315 3.297 1.00 0.00 C ATOM 183 O ASP A 12 -10.436 -0.639 3.646 1.00 0.00 O ATOM 184 CB ASP A 12 -12.802 -0.410 1.457 1.00 0.00 C ATOM 185 CG ASP A 12 -13.052 -0.322 -0.035 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.908 -1.078 -0.546 1.00 0.00 O ATOM 187 OD2 ASP A 12 -12.408 0.506 -0.709 1.00 0.00 O ATOM 0 H ASP A 12 -13.244 -2.787 1.163 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.869 -1.338 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.741 -0.634 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.467 0.561 1.821 1.00 0.00 H new ATOM 192 N ALA A 13 -12.186 -1.961 4.143 1.00 0.00 N ATOM 193 CA ALA A 13 -12.005 -1.907 5.589 1.00 0.00 C ATOM 194 C ALA A 13 -10.609 -2.347 6.030 1.00 0.00 C ATOM 195 O ALA A 13 -10.087 -1.846 7.028 1.00 0.00 O ATOM 196 CB ALA A 13 -13.053 -2.768 6.272 1.00 0.00 C ATOM 0 H ALA A 13 -12.971 -2.541 3.847 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.121 -0.864 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.913 -2.724 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.047 -2.399 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.952 -3.800 5.935 1.00 0.00 H new ATOM 202 N GLU A 14 -9.999 -3.276 5.297 1.00 0.00 N ATOM 203 CA GLU A 14 -8.704 -3.824 5.698 1.00 0.00 C ATOM 204 C GLU A 14 -7.553 -2.955 5.210 1.00 0.00 C ATOM 205 O GLU A 14 -6.383 -3.244 5.466 1.00 0.00 O ATOM 206 CB GLU A 14 -8.536 -5.254 5.184 1.00 0.00 C ATOM 207 CG GLU A 14 -9.629 -6.195 5.655 1.00 0.00 C ATOM 208 CD GLU A 14 -9.305 -7.649 5.384 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.158 -8.030 4.204 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.201 -8.422 6.355 1.00 0.00 O ATOM 0 H GLU A 14 -10.375 -3.662 4.431 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.681 -3.836 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.522 -5.241 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.570 -5.639 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.787 -6.055 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.564 -5.937 5.158 1.00 0.00 H new ATOM 217 N ILE A 15 -7.893 -1.890 4.516 1.00 0.00 N ATOM 218 CA ILE A 15 -6.902 -0.951 4.022 1.00 0.00 C ATOM 219 C ILE A 15 -7.010 0.358 4.796 1.00 0.00 C ATOM 220 O ILE A 15 -8.035 1.038 4.739 1.00 0.00 O ATOM 221 CB ILE A 15 -7.083 -0.674 2.513 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.124 -1.991 1.730 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.959 0.216 1.999 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.410 -1.815 0.253 1.00 0.00 C ATOM 0 H ILE A 15 -8.855 -1.650 4.278 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.917 -1.394 4.168 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.030 -0.155 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.169 -2.503 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.887 -2.637 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.100 0.402 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.970 1.163 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.001 -0.280 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.423 -2.790 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.379 -1.332 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.634 -1.196 -0.197 1.00 0.00 H new ATOM 236 N GLU A 16 -5.968 0.699 5.535 1.00 0.00 N ATOM 237 CA GLU A 16 -5.984 1.905 6.345 1.00 0.00 C ATOM 238 C GLU A 16 -5.561 3.109 5.507 1.00 0.00 C ATOM 239 O GLU A 16 -4.368 3.405 5.364 1.00 0.00 O ATOM 240 CB GLU A 16 -5.076 1.749 7.564 1.00 0.00 C ATOM 241 CG GLU A 16 -5.186 2.890 8.562 1.00 0.00 C ATOM 242 CD GLU A 16 -6.558 2.978 9.199 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.806 2.245 10.179 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.389 3.775 8.727 1.00 0.00 O ATOM 0 H GLU A 16 -5.104 0.160 5.591 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.001 2.070 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.318 0.813 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.042 1.672 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.435 2.759 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.962 3.831 8.059 1.00 0.00 H new ATOM 251 N LEU A 17 -6.549 3.768 4.923 1.00 0.00 N ATOM 252 CA LEU A 17 -6.316 4.942 4.099 1.00 0.00 C ATOM 253 C LEU A 17 -6.439 6.205 4.936 1.00 0.00 C ATOM 254 O LEU A 17 -7.514 6.515 5.455 1.00 0.00 O ATOM 255 CB LEU A 17 -7.316 4.982 2.939 1.00 0.00 C ATOM 256 CG LEU A 17 -7.232 3.801 1.973 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.375 3.847 0.977 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.897 3.806 1.245 1.00 0.00 C ATOM 0 H LEU A 17 -7.531 3.505 5.007 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.306 4.887 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.325 5.025 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.161 5.903 2.377 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.311 2.879 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.299 2.999 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.324 3.801 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.324 4.775 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.853 2.959 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.793 4.733 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.087 3.730 1.970 1.00 0.00 H new ATOM 270 N THR A 18 -5.336 6.926 5.067 1.00 0.00 N ATOM 271 CA THR A 18 -5.307 8.138 5.873 1.00 0.00 C ATOM 272 C THR A 18 -4.579 9.270 5.156 1.00 0.00 C ATOM 273 O THR A 18 -3.789 9.030 4.244 1.00 0.00 O ATOM 274 CB THR A 18 -4.630 7.877 7.232 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.690 6.801 7.114 1.00 0.00 O ATOM 276 CG2 THR A 18 -5.655 7.539 8.298 1.00 0.00 C ATOM 0 H THR A 18 -4.447 6.693 4.625 1.00 0.00 H new ATOM 0 HA THR A 18 -6.342 8.438 6.037 1.00 0.00 H new ATOM 0 HB THR A 18 -4.110 8.788 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.260 6.837 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.148 7.360 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.351 8.370 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.203 6.644 8.005 1.00 0.00 H new ATOM 284 N ALA A 19 -4.851 10.500 5.565 1.00 0.00 N ATOM 285 CA ALA A 19 -4.192 11.661 4.988 1.00 0.00 C ATOM 286 C ALA A 19 -3.262 12.309 6.008 1.00 0.00 C ATOM 287 O ALA A 19 -3.582 12.374 7.197 1.00 0.00 O ATOM 288 CB ALA A 19 -5.223 12.667 4.491 1.00 0.00 C ATOM 0 H ALA A 19 -5.526 10.720 6.297 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.595 11.331 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.713 13.529 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.849 12.201 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.846 12.991 5.325 1.00 0.00 H new ATOM 294 N ILE A 20 -2.113 12.778 5.546 1.00 0.00 N ATOM 295 CA ILE A 20 -1.136 13.395 6.426 1.00 0.00 C ATOM 296 C ILE A 20 -1.327 14.903 6.457 1.00 0.00 C ATOM 297 O ILE A 20 -1.268 15.575 5.427 1.00 0.00 O ATOM 298 CB ILE A 20 0.310 13.062 5.995 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.522 11.543 5.977 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.312 13.732 6.930 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.900 11.121 5.508 1.00 0.00 C ATOM 0 H ILE A 20 -1.835 12.742 4.565 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.295 12.989 7.425 1.00 0.00 H new ATOM 0 HB ILE A 20 0.471 13.446 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.354 11.151 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.227 11.089 5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.326 13.487 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.173 14.813 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.155 13.375 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.972 10.034 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.065 11.482 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.655 11.544 6.170 1.00 0.00 H new ATOM 313 N ARG A 21 -1.573 15.424 7.646 1.00 0.00 N ATOM 314 CA ARG A 21 -1.777 16.850 7.833 1.00 0.00 C ATOM 315 C ARG A 21 -0.439 17.571 7.967 1.00 0.00 C ATOM 316 O ARG A 21 0.465 17.094 8.651 1.00 0.00 O ATOM 317 CB ARG A 21 -2.640 17.092 9.071 1.00 0.00 C ATOM 318 CG ARG A 21 -2.850 18.557 9.399 1.00 0.00 C ATOM 319 CD ARG A 21 -3.696 18.717 10.644 1.00 0.00 C ATOM 320 NE ARG A 21 -3.813 20.112 11.054 1.00 0.00 N ATOM 321 CZ ARG A 21 -4.656 20.541 11.984 1.00 0.00 C ATOM 322 NH1 ARG A 21 -5.466 19.687 12.599 1.00 0.00 N ATOM 323 NH2 ARG A 21 -4.680 21.824 12.299 1.00 0.00 N ATOM 0 H ARG A 21 -1.637 14.875 8.504 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.292 17.249 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.611 16.621 8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.176 16.602 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.885 19.043 9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.334 19.056 8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.690 18.309 10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.258 18.137 11.456 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.211 20.798 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.442 18.696 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.112 20.022 13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.053 22.477 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.325 22.162 13.013 1.00 0.00 H new ATOM 337 N ALA A 22 -0.321 18.712 7.302 1.00 0.00 N ATOM 338 CA ALA A 22 0.900 19.498 7.342 1.00 0.00 C ATOM 339 C ALA A 22 0.821 20.574 8.421 1.00 0.00 C ATOM 340 O ALA A 22 -0.148 20.636 9.184 1.00 0.00 O ATOM 341 CB ALA A 22 1.157 20.133 5.982 1.00 0.00 C ATOM 0 H ALA A 22 -1.061 19.114 6.726 1.00 0.00 H new ATOM 0 HA ALA A 22 1.728 18.833 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.074 20.720 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.259 19.352 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.322 20.782 5.720 1.00 0.00 H new ATOM 347 N GLN A 23 1.848 21.411 8.480 1.00 0.00 N ATOM 348 CA GLN A 23 1.904 22.515 9.428 1.00 0.00 C ATOM 349 C GLN A 23 2.951 23.522 8.975 1.00 0.00 C ATOM 350 O GLN A 23 3.985 23.141 8.421 1.00 0.00 O ATOM 351 CB GLN A 23 2.239 21.998 10.833 1.00 0.00 C ATOM 352 CG GLN A 23 2.306 23.076 11.910 1.00 0.00 C ATOM 353 CD GLN A 23 0.964 23.736 12.170 1.00 0.00 C ATOM 354 OE1 GLN A 23 -0.088 23.122 11.992 1.00 0.00 O ATOM 355 NE2 GLN A 23 0.990 24.984 12.610 1.00 0.00 N ATOM 0 H GLN A 23 2.665 21.344 7.873 1.00 0.00 H new ATOM 0 HA GLN A 23 0.929 23.002 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.490 21.261 11.122 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.198 21.481 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.674 22.635 12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.027 23.837 11.611 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.883 25.459 12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.117 25.471 12.814 1.00 0.00 H new ATOM 364 N GLY A 24 2.665 24.799 9.191 1.00 0.00 N ATOM 365 CA GLY A 24 3.618 25.844 8.859 1.00 0.00 C ATOM 366 C GLY A 24 4.883 25.724 9.678 1.00 0.00 C ATOM 367 O GLY A 24 5.962 25.511 9.127 1.00 0.00 O ATOM 0 H GLY A 24 1.788 25.132 9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.864 25.789 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.164 26.820 9.031 1.00 0.00 H new ATOM 371 N ALA A 25 4.724 25.847 10.995 1.00 0.00 N ATOM 372 CA ALA A 25 5.813 25.653 11.960 1.00 0.00 C ATOM 373 C ALA A 25 6.850 26.776 11.916 1.00 0.00 C ATOM 374 O ALA A 25 7.219 27.277 10.851 1.00 0.00 O ATOM 375 CB ALA A 25 6.480 24.297 11.765 1.00 0.00 C ATOM 0 H ALA A 25 3.832 26.085 11.428 1.00 0.00 H new ATOM 0 HA ALA A 25 5.358 25.681 12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.283 24.179 12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.744 23.506 11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.891 24.235 10.757 1.00 0.00 H new ATOM 381 N GLY A 26 7.312 27.169 13.095 1.00 0.00 N ATOM 382 CA GLY A 26 8.342 28.184 13.196 1.00 0.00 C ATOM 383 C GLY A 26 7.874 29.541 12.710 1.00 0.00 C ATOM 384 O GLY A 26 6.773 29.984 13.048 1.00 0.00 O ATOM 0 H GLY A 26 6.989 26.800 13.989 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.666 28.266 14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.210 27.874 12.615 1.00 0.00 H new ATOM 388 N GLY A 27 8.708 30.197 11.916 1.00 0.00 N ATOM 389 CA GLY A 27 8.356 31.496 11.378 1.00 0.00 C ATOM 390 C GLY A 27 8.291 31.482 9.867 1.00 0.00 C ATOM 391 O GLY A 27 8.420 32.522 9.218 1.00 0.00 O ATOM 0 H GLY A 27 9.625 29.852 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.391 31.806 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.089 32.234 11.703 1.00 0.00 H new ATOM 395 N GLN A 28 8.080 30.302 9.301 1.00 0.00 N ATOM 396 CA GLN A 28 8.011 30.147 7.861 1.00 0.00 C ATOM 397 C GLN A 28 6.558 29.999 7.440 1.00 0.00 C ATOM 398 O GLN A 28 5.879 29.048 7.822 1.00 0.00 O ATOM 399 CB GLN A 28 8.825 28.933 7.407 1.00 0.00 C ATOM 400 CG GLN A 28 8.903 28.793 5.896 1.00 0.00 C ATOM 401 CD GLN A 28 9.697 27.577 5.463 1.00 0.00 C ATOM 402 OE1 GLN A 28 10.620 27.137 6.151 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.347 27.029 4.311 1.00 0.00 N ATOM 0 H GLN A 28 7.953 29.435 9.824 1.00 0.00 H new ATOM 0 HA GLN A 28 8.436 31.032 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.835 29.010 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.382 28.030 7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.894 28.727 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.359 29.689 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.577 27.424 3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.847 26.211 3.962 1.00 0.00 H new ATOM 412 N ASN A 29 6.082 30.962 6.680 1.00 0.00 N ATOM 413 CA ASN A 29 4.693 30.964 6.235 1.00 0.00 C ATOM 414 C ASN A 29 4.487 30.004 5.073 1.00 0.00 C ATOM 415 O ASN A 29 4.644 30.366 3.906 1.00 0.00 O ATOM 416 CB ASN A 29 4.249 32.369 5.835 1.00 0.00 C ATOM 417 CG ASN A 29 4.006 33.287 7.025 1.00 0.00 C ATOM 418 OD1 ASN A 29 3.193 34.208 6.954 1.00 0.00 O ATOM 419 ND2 ASN A 29 4.705 33.056 8.126 1.00 0.00 N ATOM 0 H ASN A 29 6.632 31.757 6.354 1.00 0.00 H new ATOM 0 HA ASN A 29 4.081 30.629 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.009 32.813 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.334 32.299 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.577 33.649 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.372 32.285 8.154 1.00 0.00 H new ATOM 426 N VAL A 30 4.175 28.769 5.414 1.00 0.00 N ATOM 427 CA VAL A 30 3.839 27.747 4.434 1.00 0.00 C ATOM 428 C VAL A 30 2.582 26.997 4.861 1.00 0.00 C ATOM 429 O VAL A 30 2.636 25.848 5.302 1.00 0.00 O ATOM 430 CB VAL A 30 4.995 26.744 4.202 1.00 0.00 C ATOM 431 CG1 VAL A 30 6.061 27.355 3.306 1.00 0.00 C ATOM 432 CG2 VAL A 30 5.611 26.296 5.523 1.00 0.00 C ATOM 0 H VAL A 30 4.146 28.442 6.380 1.00 0.00 H new ATOM 0 HA VAL A 30 3.659 28.261 3.490 1.00 0.00 H new ATOM 0 HB VAL A 30 4.579 25.867 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.865 26.635 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.621 27.616 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.462 28.253 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.420 25.592 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.005 27.163 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.849 25.812 6.134 1.00 0.00 H new ATOM 442 N ASN A 31 1.447 27.662 4.733 1.00 0.00 N ATOM 443 CA ASN A 31 0.182 27.093 5.159 1.00 0.00 C ATOM 444 C ASN A 31 -0.592 26.615 3.952 1.00 0.00 C ATOM 445 O ASN A 31 -1.441 27.322 3.407 1.00 0.00 O ATOM 446 CB ASN A 31 -0.651 28.112 5.939 1.00 0.00 C ATOM 447 CG ASN A 31 0.025 28.582 7.211 1.00 0.00 C ATOM 448 OD1 ASN A 31 -0.154 27.991 8.275 1.00 0.00 O ATOM 449 ND2 ASN A 31 0.798 29.651 7.110 1.00 0.00 N ATOM 0 H ASN A 31 1.376 28.599 4.336 1.00 0.00 H new ATOM 0 HA ASN A 31 0.392 26.252 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.851 28.973 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.615 27.669 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.274 30.016 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.918 30.110 6.207 1.00 0.00 H new ATOM 456 N LYS A 32 -0.249 25.429 3.518 1.00 0.00 N ATOM 457 CA LYS A 32 -0.955 24.768 2.439 1.00 0.00 C ATOM 458 C LYS A 32 -0.901 23.265 2.661 1.00 0.00 C ATOM 459 O LYS A 32 0.128 22.738 3.092 1.00 0.00 O ATOM 460 CB LYS A 32 -0.342 25.137 1.084 1.00 0.00 C ATOM 461 CG LYS A 32 -1.177 24.692 -0.107 1.00 0.00 C ATOM 462 CD LYS A 32 -0.587 25.185 -1.418 1.00 0.00 C ATOM 463 CE LYS A 32 -1.511 24.887 -2.587 1.00 0.00 C ATOM 464 NZ LYS A 32 -0.999 25.457 -3.862 1.00 0.00 N ATOM 0 H LYS A 32 0.528 24.890 3.900 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.994 25.096 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.207 26.218 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.649 24.689 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.240 23.604 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.194 25.069 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.408 26.259 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.380 24.710 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.626 23.808 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.501 25.294 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.659 25.231 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.914 26.489 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.066 25.050 -4.074 1.00 0.00 H new ATOM 478 N VAL A 33 -2.009 22.592 2.395 1.00 0.00 N ATOM 479 CA VAL A 33 -2.102 21.154 2.608 1.00 0.00 C ATOM 480 C VAL A 33 -1.169 20.399 1.661 1.00 0.00 C ATOM 481 O VAL A 33 -1.188 20.604 0.443 1.00 0.00 O ATOM 482 CB VAL A 33 -3.560 20.649 2.451 1.00 0.00 C ATOM 483 CG1 VAL A 33 -4.123 20.985 1.076 1.00 0.00 C ATOM 484 CG2 VAL A 33 -3.645 19.152 2.720 1.00 0.00 C ATOM 0 H VAL A 33 -2.860 23.019 2.030 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.788 20.956 3.633 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.170 21.166 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.146 20.616 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.116 22.066 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.511 20.514 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.677 18.820 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.010 18.619 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.309 18.945 3.736 1.00 0.00 H new ATOM 494 N SER A 34 -0.321 19.559 2.239 1.00 0.00 N ATOM 495 CA SER A 34 0.585 18.736 1.478 1.00 0.00 C ATOM 496 C SER A 34 -0.172 17.624 0.768 1.00 0.00 C ATOM 497 O SER A 34 -1.275 17.256 1.170 1.00 0.00 O ATOM 498 CB SER A 34 1.621 18.139 2.421 1.00 0.00 C ATOM 499 OG SER A 34 2.293 19.151 3.147 1.00 0.00 O ATOM 0 H SER A 34 -0.248 19.435 3.249 1.00 0.00 H new ATOM 0 HA SER A 34 1.079 19.348 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.134 17.453 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.344 17.556 1.850 1.00 0.00 H new ATOM 0 HG SER A 34 2.951 18.741 3.746 1.00 0.00 H new ATOM 505 N SER A 35 0.435 17.078 -0.269 1.00 0.00 N ATOM 506 CA SER A 35 -0.178 16.011 -1.042 1.00 0.00 C ATOM 507 C SER A 35 0.180 14.660 -0.420 1.00 0.00 C ATOM 508 O SER A 35 0.255 13.642 -1.104 1.00 0.00 O ATOM 509 CB SER A 35 0.316 16.095 -2.492 1.00 0.00 C ATOM 510 OG SER A 35 -0.422 15.249 -3.355 1.00 0.00 O ATOM 0 H SER A 35 1.359 17.358 -0.598 1.00 0.00 H new ATOM 0 HA SER A 35 -1.263 16.115 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.240 17.125 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.371 15.822 -2.532 1.00 0.00 H new ATOM 0 HG SER A 35 0.094 15.085 -4.172 1.00 0.00 H new ATOM 516 N ALA A 36 0.361 14.659 0.894 1.00 0.00 N ATOM 517 CA ALA A 36 0.855 13.494 1.608 1.00 0.00 C ATOM 518 C ALA A 36 -0.279 12.606 2.105 1.00 0.00 C ATOM 519 O ALA A 36 -1.128 13.032 2.890 1.00 0.00 O ATOM 520 CB ALA A 36 1.730 13.927 2.774 1.00 0.00 C ATOM 0 H ALA A 36 0.170 15.464 1.491 1.00 0.00 H new ATOM 0 HA ALA A 36 1.448 12.907 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.095 13.046 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.577 14.502 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.146 14.544 3.457 1.00 0.00 H new ATOM 526 N MET A 37 -0.291 11.379 1.625 1.00 0.00 N ATOM 527 CA MET A 37 -1.201 10.360 2.121 1.00 0.00 C ATOM 528 C MET A 37 -0.442 9.337 2.944 1.00 0.00 C ATOM 529 O MET A 37 0.723 9.040 2.674 1.00 0.00 O ATOM 530 CB MET A 37 -1.908 9.653 0.963 1.00 0.00 C ATOM 531 CG MET A 37 -2.851 10.544 0.173 1.00 0.00 C ATOM 532 SD MET A 37 -4.338 10.980 1.094 1.00 0.00 S ATOM 533 CE MET A 37 -5.096 9.369 1.304 1.00 0.00 C ATOM 0 H MET A 37 0.328 11.058 0.881 1.00 0.00 H new ATOM 0 HA MET A 37 -1.948 10.850 2.746 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.156 9.248 0.286 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.471 8.807 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.327 11.456 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.136 10.037 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.092 9.488 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.172 8.874 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.485 8.764 1.974 1.00 0.00 H new ATOM 543 N HIS A 38 -1.114 8.803 3.943 1.00 0.00 N ATOM 544 CA HIS A 38 -0.545 7.787 4.808 1.00 0.00 C ATOM 545 C HIS A 38 -1.222 6.463 4.528 1.00 0.00 C ATOM 546 O HIS A 38 -2.430 6.306 4.714 1.00 0.00 O ATOM 547 CB HIS A 38 -0.712 8.179 6.272 1.00 0.00 C ATOM 548 CG HIS A 38 -0.246 7.149 7.262 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.112 6.366 7.995 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.000 6.785 7.648 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.421 5.573 8.792 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.864 5.806 8.600 1.00 0.00 N ATOM 0 H HIS A 38 -2.072 9.061 4.179 1.00 0.00 H new ATOM 0 HA HIS A 38 0.522 7.694 4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.165 9.105 6.449 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.765 8.390 6.458 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.130 6.395 7.931 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.929 7.190 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.836 4.855 9.484 1.00 0.00 H new ATOM 561 N LEU A 39 -0.437 5.527 4.065 1.00 0.00 N ATOM 562 CA LEU A 39 -0.951 4.243 3.655 1.00 0.00 C ATOM 563 C LEU A 39 -0.472 3.151 4.594 1.00 0.00 C ATOM 564 O LEU A 39 0.731 2.947 4.750 1.00 0.00 O ATOM 565 CB LEU A 39 -0.506 3.906 2.227 1.00 0.00 C ATOM 566 CG LEU A 39 -1.053 4.806 1.107 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.542 5.058 1.287 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.282 6.116 1.031 1.00 0.00 C ATOM 0 H LEU A 39 0.572 5.630 3.961 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.039 4.299 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.583 3.941 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.799 2.878 2.012 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.915 4.282 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.903 5.697 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.077 4.109 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.715 5.549 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.690 6.733 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.371 6.646 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.769 5.909 0.829 1.00 0.00 H new ATOM 580 N ARG A 40 -1.409 2.472 5.227 1.00 0.00 N ATOM 581 CA ARG A 40 -1.085 1.306 6.025 1.00 0.00 C ATOM 582 C ARG A 40 -1.878 0.105 5.537 1.00 0.00 C ATOM 583 O ARG A 40 -3.107 0.082 5.618 1.00 0.00 O ATOM 584 CB ARG A 40 -1.374 1.538 7.512 1.00 0.00 C ATOM 585 CG ARG A 40 -1.353 0.248 8.317 1.00 0.00 C ATOM 586 CD ARG A 40 -1.897 0.429 9.720 1.00 0.00 C ATOM 587 NE ARG A 40 -2.148 -0.863 10.363 1.00 0.00 N ATOM 588 CZ ARG A 40 -2.997 -1.044 11.375 1.00 0.00 C ATOM 589 NH1 ARG A 40 -3.560 -0.004 11.978 1.00 0.00 N ATOM 590 NH2 ARG A 40 -3.259 -2.268 11.812 1.00 0.00 N ATOM 0 H ARG A 40 -2.401 2.708 5.204 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.017 1.117 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.635 2.229 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.349 2.014 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.940 -0.510 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.330 -0.125 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.188 1.003 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.822 1.005 9.683 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.641 -1.676 10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.344 0.943 11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.208 -0.152 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.811 -3.073 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.909 -2.405 12.586 1.00 0.00 H new ATOM 604 N PHE A 41 -1.177 -0.881 5.017 1.00 0.00 N ATOM 605 CA PHE A 41 -1.808 -2.127 4.631 1.00 0.00 C ATOM 606 C PHE A 41 -1.403 -3.217 5.610 1.00 0.00 C ATOM 607 O PHE A 41 -0.217 -3.530 5.750 1.00 0.00 O ATOM 608 CB PHE A 41 -1.428 -2.518 3.201 1.00 0.00 C ATOM 609 CG PHE A 41 -2.148 -3.740 2.703 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.485 -3.673 2.348 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.487 -4.952 2.585 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.151 -4.792 1.887 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.145 -6.074 2.124 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.480 -5.994 1.775 1.00 0.00 C ATOM 0 H PHE A 41 -0.171 -0.845 4.852 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.890 -1.999 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.643 -1.682 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.353 -2.695 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.013 -2.735 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.444 -5.019 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.194 -4.727 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.618 -7.013 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.998 -6.871 1.415 1.00 0.00 H new ATOM 624 N ASP A 42 -2.384 -3.775 6.303 1.00 0.00 N ATOM 625 CA ASP A 42 -2.115 -4.798 7.300 1.00 0.00 C ATOM 626 C ASP A 42 -2.118 -6.168 6.642 1.00 0.00 C ATOM 627 O ASP A 42 -3.167 -6.784 6.466 1.00 0.00 O ATOM 628 CB ASP A 42 -3.152 -4.748 8.426 1.00 0.00 C ATOM 629 CG ASP A 42 -2.668 -5.427 9.692 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.596 -6.676 9.723 1.00 0.00 O ATOM 631 OD2 ASP A 42 -2.352 -4.706 10.666 1.00 0.00 O ATOM 0 H ASP A 42 -3.370 -3.537 6.194 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.134 -4.611 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.395 -3.708 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.072 -5.227 8.090 1.00 0.00 H new ATOM 636 N ILE A 43 -0.936 -6.620 6.253 1.00 0.00 N ATOM 637 CA ILE A 43 -0.776 -7.884 5.541 1.00 0.00 C ATOM 638 C ILE A 43 -1.226 -9.054 6.408 1.00 0.00 C ATOM 639 O ILE A 43 -1.736 -10.052 5.905 1.00 0.00 O ATOM 640 CB ILE A 43 0.698 -8.100 5.117 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.197 -6.902 4.304 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.845 -9.387 4.313 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.660 -6.983 3.919 1.00 0.00 C ATOM 0 H ILE A 43 -0.060 -6.124 6.420 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.400 -7.837 4.648 1.00 0.00 H new ATOM 0 HB ILE A 43 1.306 -8.189 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.598 -6.817 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.034 -5.992 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.888 -9.519 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.526 -10.234 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.226 -9.329 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.935 -6.098 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.271 -7.036 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.828 -7.874 3.314 1.00 0.00 H new ATOM 655 N ASN A 44 -1.052 -8.913 7.710 1.00 0.00 N ATOM 656 CA ASN A 44 -1.400 -9.970 8.643 1.00 0.00 C ATOM 657 C ASN A 44 -2.912 -10.196 8.674 1.00 0.00 C ATOM 658 O ASN A 44 -3.385 -11.316 8.469 1.00 0.00 O ATOM 659 CB ASN A 44 -0.902 -9.621 10.045 1.00 0.00 C ATOM 660 CG ASN A 44 -0.868 -10.828 10.959 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.844 -11.133 11.646 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.257 -11.522 10.978 1.00 0.00 N ATOM 0 H ASN A 44 -0.670 -8.074 8.146 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.919 -10.889 8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.097 -9.191 9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.548 -8.858 10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.339 -12.343 11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.043 -11.236 10.394 1.00 0.00 H new ATOM 669 N ALA A 45 -3.662 -9.128 8.897 1.00 0.00 N ATOM 670 CA ALA A 45 -5.110 -9.227 9.072 1.00 0.00 C ATOM 671 C ALA A 45 -5.859 -9.374 7.746 1.00 0.00 C ATOM 672 O ALA A 45 -6.906 -10.020 7.701 1.00 0.00 O ATOM 673 CB ALA A 45 -5.626 -8.016 9.828 1.00 0.00 C ATOM 0 H ALA A 45 -3.295 -8.179 8.962 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.300 -10.133 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.706 -8.098 9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.149 -7.968 10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.394 -7.111 9.267 1.00 0.00 H new ATOM 679 N SER A 46 -5.322 -8.789 6.679 1.00 0.00 N ATOM 680 CA SER A 46 -6.020 -8.729 5.390 1.00 0.00 C ATOM 681 C SER A 46 -6.375 -10.113 4.844 1.00 0.00 C ATOM 682 O SER A 46 -5.719 -11.114 5.156 1.00 0.00 O ATOM 683 CB SER A 46 -5.179 -7.959 4.370 1.00 0.00 C ATOM 684 OG SER A 46 -3.838 -8.409 4.372 1.00 0.00 O ATOM 0 H SER A 46 -4.403 -8.347 6.678 1.00 0.00 H new ATOM 0 HA SER A 46 -6.960 -8.205 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.606 -8.083 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.209 -6.894 4.599 1.00 0.00 H new ATOM 0 HG SER A 46 -3.348 -7.973 5.100 1.00 0.00 H new ATOM 690 N SER A 47 -7.408 -10.147 4.011 1.00 0.00 N ATOM 691 CA SER A 47 -7.953 -11.387 3.464 1.00 0.00 C ATOM 692 C SER A 47 -7.087 -11.960 2.329 1.00 0.00 C ATOM 693 O SER A 47 -7.608 -12.550 1.381 1.00 0.00 O ATOM 694 CB SER A 47 -9.365 -11.121 2.939 1.00 0.00 C ATOM 695 OG SER A 47 -10.159 -10.460 3.911 1.00 0.00 O ATOM 0 H SER A 47 -7.896 -9.310 3.693 1.00 0.00 H new ATOM 0 HA SER A 47 -7.968 -12.125 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.311 -10.513 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.836 -12.064 2.661 1.00 0.00 H new ATOM 0 HG SER A 47 -10.003 -9.494 3.859 1.00 0.00 H new ATOM 701 N LEU A 48 -5.779 -11.801 2.431 1.00 0.00 N ATOM 702 CA LEU A 48 -4.868 -12.358 1.444 1.00 0.00 C ATOM 703 C LEU A 48 -4.537 -13.808 1.780 1.00 0.00 C ATOM 704 O LEU A 48 -4.431 -14.170 2.950 1.00 0.00 O ATOM 705 CB LEU A 48 -3.579 -11.539 1.381 1.00 0.00 C ATOM 706 CG LEU A 48 -3.710 -10.153 0.752 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.383 -9.415 0.813 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.191 -10.262 -0.689 1.00 0.00 C ATOM 0 H LEU A 48 -5.323 -11.291 3.187 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.360 -12.322 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.192 -11.424 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.837 -12.105 0.819 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.448 -9.587 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.494 -8.429 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.076 -9.305 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.627 -9.981 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.278 -9.265 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.476 -10.846 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.164 -10.753 -0.712 1.00 0.00 H new ATOM 720 N PRO A 49 -4.391 -14.665 0.761 1.00 0.00 N ATOM 721 CA PRO A 49 -3.949 -16.047 0.957 1.00 0.00 C ATOM 722 C PRO A 49 -2.514 -16.105 1.483 1.00 0.00 C ATOM 723 O PRO A 49 -1.689 -15.251 1.139 1.00 0.00 O ATOM 724 CB PRO A 49 -4.030 -16.662 -0.448 1.00 0.00 C ATOM 725 CG PRO A 49 -4.895 -15.735 -1.234 1.00 0.00 C ATOM 726 CD PRO A 49 -4.663 -14.371 -0.653 1.00 0.00 C ATOM 0 HA PRO A 49 -4.558 -16.574 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.040 -16.751 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.456 -17.665 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.634 -15.759 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.944 -16.020 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.824 -13.865 -1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.534 -13.726 -0.772 1.00 0.00 H new ATOM 734 N PRO A 50 -2.199 -17.108 2.322 1.00 0.00 N ATOM 735 CA PRO A 50 -0.860 -17.273 2.905 1.00 0.00 C ATOM 736 C PRO A 50 0.238 -17.323 1.845 1.00 0.00 C ATOM 737 O PRO A 50 1.359 -16.876 2.085 1.00 0.00 O ATOM 738 CB PRO A 50 -0.941 -18.608 3.661 1.00 0.00 C ATOM 739 CG PRO A 50 -2.199 -19.261 3.198 1.00 0.00 C ATOM 740 CD PRO A 50 -3.123 -18.155 2.778 1.00 0.00 C ATOM 0 HA PRO A 50 -0.599 -16.430 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.074 -19.233 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.958 -18.447 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.002 -19.938 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.644 -19.856 3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.797 -18.473 1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.745 -17.812 3.605 1.00 0.00 H new ATOM 748 N PHE A 51 -0.102 -17.858 0.674 1.00 0.00 N ATOM 749 CA PHE A 51 0.807 -17.903 -0.468 1.00 0.00 C ATOM 750 C PHE A 51 1.394 -16.522 -0.756 1.00 0.00 C ATOM 751 O PHE A 51 2.603 -16.370 -0.944 1.00 0.00 O ATOM 752 CB PHE A 51 0.051 -18.413 -1.699 1.00 0.00 C ATOM 753 CG PHE A 51 0.891 -18.526 -2.942 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.747 -19.601 -3.119 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.818 -17.560 -3.935 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.515 -19.711 -4.264 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.583 -17.667 -5.080 1.00 0.00 C ATOM 758 CZ PHE A 51 2.431 -18.741 -5.245 1.00 0.00 C ATOM 0 H PHE A 51 -1.016 -18.272 0.491 1.00 0.00 H new ATOM 0 HA PHE A 51 1.629 -18.579 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.372 -19.391 -1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.785 -17.743 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.815 -20.361 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.156 -16.716 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.179 -20.553 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.517 -16.909 -5.846 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.029 -18.825 -6.140 1.00 0.00 H new ATOM 768 N TYR A 52 0.527 -15.523 -0.776 1.00 0.00 N ATOM 769 CA TYR A 52 0.930 -14.158 -1.051 1.00 0.00 C ATOM 770 C TYR A 52 1.641 -13.551 0.154 1.00 0.00 C ATOM 771 O TYR A 52 2.699 -12.943 0.009 1.00 0.00 O ATOM 772 CB TYR A 52 -0.296 -13.323 -1.417 1.00 0.00 C ATOM 773 CG TYR A 52 -0.905 -13.686 -2.755 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.791 -14.750 -2.870 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.590 -12.966 -3.900 1.00 0.00 C ATOM 776 CE1 TYR A 52 -2.349 -15.086 -4.087 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.144 -13.294 -5.125 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.024 -14.358 -5.212 1.00 0.00 C ATOM 779 OH TYR A 52 -2.581 -14.691 -6.429 1.00 0.00 O ATOM 0 H TYR A 52 -0.472 -15.637 -0.603 1.00 0.00 H new ATOM 0 HA TYR A 52 1.626 -14.161 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.051 -13.443 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.016 -12.270 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.048 -15.324 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.099 -12.137 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.037 -15.915 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.891 -12.724 -6.007 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.249 -14.079 -7.119 1.00 0.00 H new ATOM 789 N LYS A 53 1.066 -13.744 1.340 1.00 0.00 N ATOM 790 CA LYS A 53 1.620 -13.174 2.570 1.00 0.00 C ATOM 791 C LYS A 53 3.059 -13.634 2.799 1.00 0.00 C ATOM 792 O LYS A 53 3.908 -12.847 3.219 1.00 0.00 O ATOM 793 CB LYS A 53 0.756 -13.538 3.785 1.00 0.00 C ATOM 794 CG LYS A 53 -0.651 -12.964 3.726 1.00 0.00 C ATOM 795 CD LYS A 53 -1.420 -13.224 5.013 1.00 0.00 C ATOM 796 CE LYS A 53 -2.835 -12.672 4.930 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.581 -12.838 6.206 1.00 0.00 N ATOM 0 H LYS A 53 0.216 -14.291 1.477 1.00 0.00 H new ATOM 0 HA LYS A 53 1.619 -12.090 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.694 -14.623 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.247 -13.181 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.599 -11.891 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.188 -13.404 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.456 -14.296 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.896 -12.765 5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.795 -11.614 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.373 -13.178 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.569 -12.541 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.556 -13.837 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.141 -12.252 6.944 1.00 0.00 H new ATOM 811 N GLU A 54 3.324 -14.905 2.510 1.00 0.00 N ATOM 812 CA GLU A 54 4.664 -15.469 2.648 1.00 0.00 C ATOM 813 C GLU A 54 5.663 -14.707 1.797 1.00 0.00 C ATOM 814 O GLU A 54 6.656 -14.185 2.295 1.00 0.00 O ATOM 815 CB GLU A 54 4.669 -16.927 2.201 1.00 0.00 C ATOM 816 CG GLU A 54 6.037 -17.585 2.279 1.00 0.00 C ATOM 817 CD GLU A 54 6.061 -18.957 1.643 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.059 -19.043 0.395 1.00 0.00 O ATOM 819 OE2 GLU A 54 6.083 -19.961 2.382 1.00 0.00 O ATOM 0 H GLU A 54 2.624 -15.568 2.177 1.00 0.00 H new ATOM 0 HA GLU A 54 4.947 -15.394 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.969 -17.490 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.306 -16.985 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.771 -16.948 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.337 -17.668 3.324 1.00 0.00 H new ATOM 826 N ARG A 55 5.375 -14.653 0.509 1.00 0.00 N ATOM 827 CA ARG A 55 6.270 -14.036 -0.464 1.00 0.00 C ATOM 828 C ARG A 55 6.439 -12.541 -0.194 1.00 0.00 C ATOM 829 O ARG A 55 7.484 -11.968 -0.489 1.00 0.00 O ATOM 830 CB ARG A 55 5.748 -14.290 -1.878 1.00 0.00 C ATOM 831 CG ARG A 55 5.498 -15.768 -2.147 1.00 0.00 C ATOM 832 CD ARG A 55 4.918 -16.027 -3.527 1.00 0.00 C ATOM 833 NE ARG A 55 5.934 -16.024 -4.578 1.00 0.00 N ATOM 834 CZ ARG A 55 6.190 -17.077 -5.358 1.00 0.00 C ATOM 835 NH1 ARG A 55 5.575 -18.235 -5.145 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.082 -16.987 -6.332 1.00 0.00 N ATOM 0 H ARG A 55 4.519 -15.033 0.105 1.00 0.00 H new ATOM 0 HA ARG A 55 7.256 -14.490 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.822 -13.735 -2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.468 -13.908 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.435 -16.315 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.816 -16.159 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.406 -16.989 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.169 -15.267 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 55 6.476 -15.172 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.903 -18.323 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.774 -19.036 -5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.578 -16.110 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.273 -17.795 -6.925 1.00 0.00 H new ATOM 850 N LEU A 56 5.410 -11.918 0.376 1.00 0.00 N ATOM 851 CA LEU A 56 5.494 -10.524 0.803 1.00 0.00 C ATOM 852 C LEU A 56 6.440 -10.391 1.991 1.00 0.00 C ATOM 853 O LEU A 56 7.317 -9.527 2.014 1.00 0.00 O ATOM 854 CB LEU A 56 4.111 -9.994 1.192 1.00 0.00 C ATOM 855 CG LEU A 56 3.104 -9.875 0.046 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.744 -9.448 0.572 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.602 -8.891 -0.999 1.00 0.00 C ATOM 0 H LEU A 56 4.507 -12.358 0.553 1.00 0.00 H new ATOM 0 HA LEU A 56 5.877 -9.937 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.691 -10.650 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.233 -9.012 1.649 1.00 0.00 H new ATOM 0 HG LEU A 56 3.000 -10.854 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.041 -9.369 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.381 -10.188 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.832 -8.480 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.874 -8.819 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.735 -7.911 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.555 -9.237 -1.400 1.00 0.00 H new ATOM 869 N LEU A 57 6.260 -11.264 2.972 1.00 0.00 N ATOM 870 CA LEU A 57 7.094 -11.293 4.154 1.00 0.00 C ATOM 871 C LEU A 57 8.515 -11.738 3.819 1.00 0.00 C ATOM 872 O LEU A 57 9.447 -11.542 4.600 1.00 0.00 O ATOM 873 CB LEU A 57 6.463 -12.247 5.165 1.00 0.00 C ATOM 874 CG LEU A 57 5.269 -11.684 5.943 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.710 -12.738 6.887 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.675 -10.440 6.716 1.00 0.00 C ATOM 0 H LEU A 57 5.527 -11.973 2.966 1.00 0.00 H new ATOM 0 HA LEU A 57 7.160 -10.289 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.141 -13.146 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.229 -12.552 5.878 1.00 0.00 H new ATOM 0 HG LEU A 57 4.491 -11.407 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.862 -12.324 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.383 -13.605 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.483 -13.041 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.814 -10.054 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.468 -10.692 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.034 -9.681 6.021 1.00 0.00 H new ATOM 888 N ALA A 58 8.671 -12.356 2.660 1.00 0.00 N ATOM 889 CA ALA A 58 9.969 -12.828 2.211 1.00 0.00 C ATOM 890 C ALA A 58 10.628 -11.827 1.271 1.00 0.00 C ATOM 891 O ALA A 58 11.626 -12.145 0.616 1.00 0.00 O ATOM 892 CB ALA A 58 9.826 -14.179 1.525 1.00 0.00 C ATOM 0 H ALA A 58 7.908 -12.543 2.009 1.00 0.00 H new ATOM 0 HA ALA A 58 10.609 -12.937 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.805 -14.524 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.406 -14.900 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.164 -14.082 0.665 1.00 0.00 H new ATOM 898 N LEU A 59 10.084 -10.618 1.209 1.00 0.00 N ATOM 899 CA LEU A 59 10.633 -9.583 0.386 1.00 0.00 C ATOM 900 C LEU A 59 11.780 -8.895 1.108 1.00 0.00 C ATOM 901 O LEU A 59 11.998 -9.111 2.301 1.00 0.00 O ATOM 902 CB LEU A 59 9.535 -8.586 0.039 1.00 0.00 C ATOM 903 CG LEU A 59 8.766 -8.879 -1.254 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.663 -7.852 -1.462 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.717 -8.891 -2.446 1.00 0.00 C ATOM 0 H LEU A 59 9.253 -10.342 1.731 1.00 0.00 H new ATOM 0 HA LEU A 59 11.025 -10.014 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.824 -8.552 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.980 -7.594 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 59 8.307 -9.864 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.127 -8.075 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.969 -7.888 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.101 -6.856 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.156 -9.100 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.202 -7.919 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.473 -9.662 -2.300 1.00 0.00 H new ATOM 917 N ASN A 60 12.511 -8.070 0.385 1.00 0.00 N ATOM 918 CA ASN A 60 13.676 -7.398 0.940 1.00 0.00 C ATOM 919 C ASN A 60 13.347 -5.938 1.210 1.00 0.00 C ATOM 920 O ASN A 60 14.233 -5.106 1.406 1.00 0.00 O ATOM 921 CB ASN A 60 14.844 -7.511 -0.036 1.00 0.00 C ATOM 922 CG ASN A 60 16.205 -7.392 0.635 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.783 -8.383 1.077 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.730 -6.178 0.709 1.00 0.00 N ATOM 0 H ASN A 60 12.320 -7.846 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 60 13.957 -7.871 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.784 -8.469 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.751 -6.733 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.643 -6.043 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.221 -5.379 0.331 1.00 0.00 H new ATOM 931 N ASP A 61 12.062 -5.634 1.228 1.00 0.00 N ATOM 932 CA ASP A 61 11.621 -4.257 1.355 1.00 0.00 C ATOM 933 C ASP A 61 11.456 -3.892 2.821 1.00 0.00 C ATOM 934 O ASP A 61 10.857 -4.633 3.600 1.00 0.00 O ATOM 935 CB ASP A 61 10.312 -4.028 0.604 1.00 0.00 C ATOM 936 CG ASP A 61 10.001 -2.554 0.459 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.511 -1.950 1.427 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.257 -1.994 -0.629 1.00 0.00 O ATOM 0 H ASP A 61 11.309 -6.318 1.157 1.00 0.00 H new ATOM 0 HA ASP A 61 12.382 -3.615 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.374 -4.486 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.497 -4.522 1.134 1.00 0.00 H new ATOM 943 N SER A 62 11.992 -2.742 3.180 1.00 0.00 N ATOM 944 CA SER A 62 12.056 -2.311 4.569 1.00 0.00 C ATOM 945 C SER A 62 10.720 -1.732 5.050 1.00 0.00 C ATOM 946 O SER A 62 10.501 -1.589 6.255 1.00 0.00 O ATOM 947 CB SER A 62 13.173 -1.275 4.730 1.00 0.00 C ATOM 948 OG SER A 62 13.528 -1.092 6.091 1.00 0.00 O ATOM 0 H SER A 62 12.396 -2.078 2.520 1.00 0.00 H new ATOM 0 HA SER A 62 12.270 -3.184 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.049 -1.594 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.850 -0.324 4.307 1.00 0.00 H new ATOM 0 HG SER A 62 12.768 -1.331 6.662 1.00 0.00 H new ATOM 954 N ARG A 63 9.819 -1.415 4.122 1.00 0.00 N ATOM 955 CA ARG A 63 8.513 -0.869 4.492 1.00 0.00 C ATOM 956 C ARG A 63 7.649 -1.959 5.107 1.00 0.00 C ATOM 957 O ARG A 63 6.723 -1.685 5.870 1.00 0.00 O ATOM 958 CB ARG A 63 7.798 -0.278 3.276 1.00 0.00 C ATOM 959 CG ARG A 63 8.561 0.841 2.591 1.00 0.00 C ATOM 960 CD ARG A 63 7.885 1.233 1.288 1.00 0.00 C ATOM 961 NE ARG A 63 8.638 2.245 0.551 1.00 0.00 N ATOM 962 CZ ARG A 63 9.228 2.020 -0.622 1.00 0.00 C ATOM 963 NH1 ARG A 63 9.267 0.791 -1.126 1.00 0.00 N ATOM 964 NH2 ARG A 63 9.813 3.011 -1.278 1.00 0.00 N ATOM 0 H ARG A 63 9.966 -1.525 3.119 1.00 0.00 H new ATOM 0 HA ARG A 63 8.675 -0.074 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.615 -1.073 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.824 0.099 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.618 1.706 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.585 0.522 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.765 0.348 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.885 1.611 1.500 1.00 0.00 H new ATOM 0 HE ARG A 63 8.716 3.177 0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.844 0.016 -0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.720 0.622 -2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.813 3.952 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.263 2.833 -2.176 1.00 0.00 H new ATOM 978 N ILE A 64 7.961 -3.193 4.755 1.00 0.00 N ATOM 979 CA ILE A 64 7.265 -4.347 5.294 1.00 0.00 C ATOM 980 C ILE A 64 7.832 -4.696 6.665 1.00 0.00 C ATOM 981 O ILE A 64 8.979 -5.134 6.780 1.00 0.00 O ATOM 982 CB ILE A 64 7.376 -5.555 4.335 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.738 -5.202 2.990 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.708 -6.783 4.942 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.900 -6.274 1.934 1.00 0.00 C ATOM 0 H ILE A 64 8.700 -3.423 4.091 1.00 0.00 H new ATOM 0 HA ILE A 64 6.208 -4.101 5.399 1.00 0.00 H new ATOM 0 HB ILE A 64 8.429 -5.789 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.675 -5.013 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.178 -4.275 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.796 -7.623 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.195 -7.034 5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.654 -6.572 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.421 -5.950 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.960 -6.448 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.435 -7.198 2.279 1.00 0.00 H new ATOM 997 N THR A 65 7.043 -4.469 7.702 1.00 0.00 N ATOM 998 CA THR A 65 7.492 -4.698 9.065 1.00 0.00 C ATOM 999 C THR A 65 7.290 -6.152 9.481 1.00 0.00 C ATOM 1000 O THR A 65 6.513 -6.880 8.860 1.00 0.00 O ATOM 1001 CB THR A 65 6.746 -3.783 10.058 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.333 -3.992 9.945 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.065 -2.319 9.798 1.00 0.00 C ATOM 0 H THR A 65 6.086 -4.125 7.625 1.00 0.00 H new ATOM 0 HA THR A 65 8.557 -4.465 9.090 1.00 0.00 H new ATOM 0 HB THR A 65 7.076 -4.035 11.066 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.986 -3.478 9.186 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.526 -1.697 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.137 -2.155 9.910 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.761 -2.055 8.785 1.00 0.00 H new ATOM 1011 N SER A 66 7.970 -6.555 10.549 1.00 0.00 N ATOM 1012 CA SER A 66 7.847 -7.906 11.080 1.00 0.00 C ATOM 1013 C SER A 66 6.466 -8.112 11.701 1.00 0.00 C ATOM 1014 O SER A 66 6.036 -9.241 11.929 1.00 0.00 O ATOM 1015 CB SER A 66 8.941 -8.156 12.121 1.00 0.00 C ATOM 1016 OG SER A 66 10.227 -7.911 11.573 1.00 0.00 O ATOM 0 H SER A 66 8.616 -5.960 11.067 1.00 0.00 H new ATOM 0 HA SER A 66 7.965 -8.618 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.781 -7.511 12.985 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.883 -9.185 12.476 1.00 0.00 H new ATOM 0 HG SER A 66 10.910 -8.075 12.256 1.00 0.00 H new ATOM 1022 N ASP A 67 5.776 -7.004 11.958 1.00 0.00 N ATOM 1023 CA ASP A 67 4.422 -7.046 12.502 1.00 0.00 C ATOM 1024 C ASP A 67 3.422 -7.428 11.420 1.00 0.00 C ATOM 1025 O ASP A 67 2.250 -7.686 11.704 1.00 0.00 O ATOM 1026 CB ASP A 67 4.034 -5.686 13.100 1.00 0.00 C ATOM 1027 CG ASP A 67 4.785 -5.370 14.380 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.916 -4.848 14.300 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.245 -5.637 15.472 1.00 0.00 O ATOM 0 H ASP A 67 6.134 -6.063 11.797 1.00 0.00 H new ATOM 0 HA ASP A 67 4.402 -7.799 13.290 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.229 -4.903 12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.963 -5.675 13.301 1.00 0.00 H new ATOM 1034 N GLY A 68 3.891 -7.469 10.176 1.00 0.00 N ATOM 1035 CA GLY A 68 3.024 -7.804 9.065 1.00 0.00 C ATOM 1036 C GLY A 68 2.287 -6.597 8.536 1.00 0.00 C ATOM 1037 O GLY A 68 1.194 -6.718 7.990 1.00 0.00 O ATOM 0 H GLY A 68 4.859 -7.275 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.616 -8.246 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.304 -8.558 9.382 1.00 0.00 H new ATOM 1041 N VAL A 69 2.881 -5.427 8.711 1.00 0.00 N ATOM 1042 CA VAL A 69 2.271 -4.189 8.253 1.00 0.00 C ATOM 1043 C VAL A 69 3.208 -3.452 7.307 1.00 0.00 C ATOM 1044 O VAL A 69 4.409 -3.362 7.560 1.00 0.00 O ATOM 1045 CB VAL A 69 1.924 -3.256 9.438 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.225 -1.994 8.955 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.072 -3.975 10.472 1.00 0.00 C ATOM 0 H VAL A 69 3.786 -5.309 9.167 1.00 0.00 H new ATOM 0 HA VAL A 69 1.351 -4.456 7.732 1.00 0.00 H new ATOM 0 HB VAL A 69 2.861 -2.966 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.993 -1.357 9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.879 -1.456 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.302 -2.263 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.844 -3.295 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.143 -4.309 10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.617 -4.837 10.856 1.00 0.00 H new ATOM 1057 N ILE A 70 2.668 -2.941 6.217 1.00 0.00 N ATOM 1058 CA ILE A 70 3.448 -2.124 5.304 1.00 0.00 C ATOM 1059 C ILE A 70 2.899 -0.699 5.286 1.00 0.00 C ATOM 1060 O ILE A 70 1.694 -0.485 5.118 1.00 0.00 O ATOM 1061 CB ILE A 70 3.482 -2.720 3.871 1.00 0.00 C ATOM 1062 CG1 ILE A 70 4.292 -1.816 2.936 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.075 -2.934 3.328 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.456 -2.370 1.536 1.00 0.00 C ATOM 0 H ILE A 70 1.695 -3.076 5.942 1.00 0.00 H new ATOM 0 HA ILE A 70 4.477 -2.108 5.664 1.00 0.00 H new ATOM 0 HB ILE A 70 3.969 -3.694 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.805 -0.843 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.279 -1.653 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.133 -3.352 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.535 -3.623 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.549 -1.980 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.040 -1.673 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.971 -3.329 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.475 -2.507 1.082 1.00 0.00 H new ATOM 1076 N VAL A 71 3.777 0.271 5.496 1.00 0.00 N ATOM 1077 CA VAL A 71 3.371 1.664 5.564 1.00 0.00 C ATOM 1078 C VAL A 71 4.142 2.506 4.547 1.00 0.00 C ATOM 1079 O VAL A 71 5.349 2.323 4.360 1.00 0.00 O ATOM 1080 CB VAL A 71 3.567 2.229 6.992 1.00 0.00 C ATOM 1081 CG1 VAL A 71 5.021 2.143 7.424 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.072 3.662 7.081 1.00 0.00 C ATOM 0 H VAL A 71 4.777 0.117 5.622 1.00 0.00 H new ATOM 0 HA VAL A 71 2.310 1.715 5.319 1.00 0.00 H new ATOM 0 HB VAL A 71 2.975 1.616 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.126 2.547 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.342 1.101 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.640 2.718 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.221 4.036 8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.628 4.283 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.011 3.696 6.834 1.00 0.00 H new ATOM 1092 N LEU A 72 3.433 3.413 3.877 1.00 0.00 N ATOM 1093 CA LEU A 72 4.034 4.253 2.849 1.00 0.00 C ATOM 1094 C LEU A 72 3.550 5.690 2.980 1.00 0.00 C ATOM 1095 O LEU A 72 2.551 5.962 3.658 1.00 0.00 O ATOM 1096 CB LEU A 72 3.703 3.746 1.432 1.00 0.00 C ATOM 1097 CG LEU A 72 4.047 2.281 1.135 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.931 1.352 1.589 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.321 2.095 -0.350 1.00 0.00 C ATOM 0 H LEU A 72 2.439 3.583 4.030 1.00 0.00 H new ATOM 0 HA LEU A 72 5.113 4.209 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.636 3.889 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.230 4.373 0.713 1.00 0.00 H new ATOM 0 HG LEU A 72 4.946 2.024 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.203 0.320 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.779 1.463 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.010 1.606 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.564 1.051 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.436 2.376 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.160 2.725 -0.647 1.00 0.00 H new ATOM 1111 N LYS A 73 4.264 6.595 2.326 1.00 0.00 N ATOM 1112 CA LYS A 73 3.875 7.993 2.256 1.00 0.00 C ATOM 1113 C LYS A 73 3.789 8.415 0.800 1.00 0.00 C ATOM 1114 O LYS A 73 4.803 8.568 0.119 1.00 0.00 O ATOM 1115 CB LYS A 73 4.873 8.896 2.971 1.00 0.00 C ATOM 1116 CG LYS A 73 5.103 8.553 4.433 1.00 0.00 C ATOM 1117 CD LYS A 73 6.028 9.565 5.093 1.00 0.00 C ATOM 1118 CE LYS A 73 6.299 9.225 6.550 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.059 7.955 6.696 1.00 0.00 N ATOM 0 H LYS A 73 5.129 6.379 1.830 1.00 0.00 H new ATOM 0 HA LYS A 73 2.908 8.096 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.827 8.848 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.523 9.926 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.149 8.530 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.534 7.555 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.971 9.603 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.583 10.558 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.859 10.037 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.353 9.144 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.368 7.847 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.450 7.154 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.891 7.975 6.073 1.00 0.00 H new ATOM 1133 N ALA A 74 2.580 8.574 0.330 1.00 0.00 N ATOM 1134 CA ALA A 74 2.346 8.990 -1.040 1.00 0.00 C ATOM 1135 C ALA A 74 2.198 10.501 -1.109 1.00 0.00 C ATOM 1136 O ALA A 74 1.171 11.046 -0.712 1.00 0.00 O ATOM 1137 CB ALA A 74 1.115 8.300 -1.605 1.00 0.00 C ATOM 0 H ALA A 74 1.732 8.422 0.876 1.00 0.00 H new ATOM 0 HA ALA A 74 3.204 8.698 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.956 8.625 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.261 7.220 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.244 8.560 -1.003 1.00 0.00 H new ATOM 1143 N GLN A 75 3.243 11.169 -1.578 1.00 0.00 N ATOM 1144 CA GLN A 75 3.252 12.624 -1.660 1.00 0.00 C ATOM 1145 C GLN A 75 3.921 13.060 -2.957 1.00 0.00 C ATOM 1146 O GLN A 75 4.356 14.203 -3.103 1.00 0.00 O ATOM 1147 CB GLN A 75 4.012 13.199 -0.458 1.00 0.00 C ATOM 1148 CG GLN A 75 3.754 14.676 -0.205 1.00 0.00 C ATOM 1149 CD GLN A 75 4.649 15.254 0.876 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.096 14.543 1.777 1.00 0.00 O ATOM 1151 NE2 GLN A 75 4.891 16.552 0.810 1.00 0.00 N ATOM 0 H GLN A 75 4.099 10.724 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 75 2.228 12.996 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.738 12.636 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.081 13.050 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.906 15.230 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.711 14.814 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.502 17.105 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.467 17.000 1.522 1.00 0.00 H new ATOM 1160 N GLN A 76 3.977 12.144 -3.910 1.00 0.00 N ATOM 1161 CA GLN A 76 4.725 12.371 -5.136 1.00 0.00 C ATOM 1162 C GLN A 76 3.921 13.204 -6.133 1.00 0.00 C ATOM 1163 O GLN A 76 4.430 14.173 -6.697 1.00 0.00 O ATOM 1164 CB GLN A 76 5.118 11.033 -5.758 1.00 0.00 C ATOM 1165 CG GLN A 76 6.228 11.146 -6.791 1.00 0.00 C ATOM 1166 CD GLN A 76 7.514 11.691 -6.198 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.350 10.940 -5.696 1.00 0.00 O ATOM 1168 NE2 GLN A 76 7.683 13.002 -6.264 1.00 0.00 N ATOM 0 H GLN A 76 3.514 11.237 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 76 5.626 12.931 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.436 10.354 -4.967 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.240 10.588 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.418 10.165 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.901 11.796 -7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.964 13.588 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.532 13.426 -5.890 1.00 0.00 H new ATOM 1177 N TYR A 77 2.667 12.830 -6.337 1.00 0.00 N ATOM 1178 CA TYR A 77 1.835 13.476 -7.343 1.00 0.00 C ATOM 1179 C TYR A 77 1.152 14.725 -6.762 1.00 0.00 C ATOM 1180 O TYR A 77 1.279 15.017 -5.570 1.00 0.00 O ATOM 1181 CB TYR A 77 0.814 12.466 -7.878 1.00 0.00 C ATOM 1182 CG TYR A 77 0.137 12.855 -9.177 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.800 13.582 -10.162 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.171 12.480 -9.415 1.00 0.00 C ATOM 1185 CE1 TYR A 77 0.163 13.924 -11.343 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.812 12.816 -10.588 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.143 13.535 -11.550 1.00 0.00 C ATOM 1188 OH TYR A 77 -1.787 13.874 -12.717 1.00 0.00 O ATOM 0 H TYR A 77 2.203 12.083 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 77 2.457 13.811 -8.173 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.315 11.509 -8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.047 12.313 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.825 13.883 -10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.703 11.912 -8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.687 14.492 -12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.836 12.515 -10.751 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.701 13.520 -12.701 1.00 0.00 H new ATOM 1198 N ARG A 78 0.424 15.443 -7.612 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.097 16.772 -7.287 1.00 0.00 C ATOM 1200 C ARG A 78 -1.223 16.721 -6.248 1.00 0.00 C ATOM 1201 O ARG A 78 -1.376 17.645 -5.451 1.00 0.00 O ATOM 1202 CB ARG A 78 -0.577 17.454 -8.578 1.00 0.00 C ATOM 1203 CG ARG A 78 -0.775 18.963 -8.473 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.181 19.334 -8.017 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.359 20.784 -7.935 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.514 21.386 -7.650 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -4.619 20.676 -7.442 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -3.563 22.708 -7.585 1.00 0.00 N ATOM 0 H ARG A 78 0.177 15.121 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 78 0.709 17.352 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.145 17.251 -9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.519 16.999 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.048 19.374 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.578 19.421 -9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.911 18.917 -8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.377 18.888 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.545 21.374 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.590 19.658 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.496 21.149 -7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.721 23.258 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.443 23.176 -7.368 1.00 0.00 H new ATOM 1222 N THR A 79 -2.007 15.654 -6.256 1.00 0.00 N ATOM 1223 CA THR A 79 -3.145 15.559 -5.354 1.00 0.00 C ATOM 1224 C THR A 79 -3.121 14.279 -4.522 1.00 0.00 C ATOM 1225 O THR A 79 -2.620 13.238 -4.963 1.00 0.00 O ATOM 1226 CB THR A 79 -4.468 15.651 -6.131 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.354 14.929 -7.365 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.836 17.102 -6.410 1.00 0.00 C ATOM 0 H THR A 79 -1.879 14.850 -6.870 1.00 0.00 H new ATOM 0 HA THR A 79 -3.070 16.402 -4.668 1.00 0.00 H new ATOM 0 HB THR A 79 -5.258 15.210 -5.523 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.199 14.988 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.776 17.140 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.946 17.637 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.049 17.569 -7.002 1.00 0.00 H new ATOM 1236 N GLN A 80 -3.680 14.371 -3.319 1.00 0.00 N ATOM 1237 CA GLN A 80 -3.707 13.257 -2.382 1.00 0.00 C ATOM 1238 C GLN A 80 -4.616 12.144 -2.892 1.00 0.00 C ATOM 1239 O GLN A 80 -4.305 10.965 -2.752 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.200 13.725 -1.011 1.00 0.00 C ATOM 1241 CG GLN A 80 -3.372 14.849 -0.408 1.00 0.00 C ATOM 1242 CD GLN A 80 -3.910 15.313 0.931 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -4.760 16.200 0.996 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -3.415 14.725 2.008 1.00 0.00 N ATOM 0 H GLN A 80 -4.126 15.219 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 80 -2.691 12.872 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.234 14.057 -1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.197 12.877 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.343 14.512 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.351 15.692 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.711 13.993 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.737 15.004 2.935 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.739 12.532 -3.483 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.697 11.572 -4.019 1.00 0.00 C ATOM 1255 C GLU A 81 -6.056 10.733 -5.122 1.00 0.00 C ATOM 1256 O GLU A 81 -6.264 9.520 -5.197 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.933 12.294 -4.554 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.013 11.356 -5.055 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.213 12.097 -5.596 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.191 12.484 -6.781 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.179 12.307 -4.831 1.00 0.00 O ATOM 0 H GLU A 81 -6.010 13.508 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.004 10.907 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.346 12.923 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.634 12.957 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.602 10.717 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.329 10.703 -4.242 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.262 11.378 -5.960 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.570 10.678 -7.026 1.00 0.00 C ATOM 1270 C GLN A 82 -3.439 9.829 -6.461 1.00 0.00 C ATOM 1271 O GLN A 82 -3.206 8.716 -6.920 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.040 11.666 -8.052 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.119 12.254 -8.944 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.595 11.274 -9.998 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.833 10.429 -10.468 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.857 11.377 -10.379 1.00 0.00 N ATOM 0 H GLN A 82 -5.082 12.381 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.278 10.015 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.528 12.476 -7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.298 11.167 -8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.965 12.563 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.735 13.150 -9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.458 12.090 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.230 10.743 -11.086 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.746 10.356 -5.454 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.721 9.586 -4.751 1.00 0.00 C ATOM 1287 C ASN A 83 -2.343 8.356 -4.102 1.00 0.00 C ATOM 1288 O ASN A 83 -1.729 7.298 -4.044 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.013 10.438 -3.690 1.00 0.00 C ATOM 1290 CG ASN A 83 0.111 11.280 -4.266 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.764 10.893 -5.233 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.359 12.433 -3.666 1.00 0.00 N ATOM 0 H ASN A 83 -2.874 11.307 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.977 9.270 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.741 11.092 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.611 9.785 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.112 13.032 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.203 12.723 -2.866 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.569 8.515 -3.619 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.348 7.412 -3.070 1.00 0.00 C ATOM 1301 C ARG A 84 -4.505 6.307 -4.104 1.00 0.00 C ATOM 1302 O ARG A 84 -4.101 5.165 -3.882 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.724 7.931 -2.654 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.675 6.873 -2.117 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.021 7.493 -1.779 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.014 6.502 -1.374 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.123 6.799 -0.697 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.359 8.049 -0.318 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.990 5.841 -0.398 1.00 0.00 N ATOM 0 H ARG A 84 -4.052 9.413 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.829 7.003 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.591 8.699 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.189 8.413 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.807 6.084 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.248 6.408 -1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.890 8.219 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.392 8.040 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.850 5.527 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.691 8.785 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.209 8.273 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.807 4.880 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.840 6.065 0.120 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.092 6.668 -5.235 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.316 5.725 -6.327 1.00 0.00 C ATOM 1325 C ALA A 85 -4.004 5.126 -6.831 1.00 0.00 C ATOM 1326 O ALA A 85 -3.930 3.928 -7.116 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.060 6.404 -7.466 1.00 0.00 C ATOM 0 H ALA A 85 -5.425 7.613 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.926 4.908 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.220 5.689 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.023 6.767 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.471 7.243 -7.836 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.978 5.966 -6.935 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.660 5.537 -7.398 1.00 0.00 C ATOM 1335 C ASP A 86 -1.056 4.528 -6.429 1.00 0.00 C ATOM 1336 O ASP A 86 -0.594 3.461 -6.832 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.724 6.743 -7.523 1.00 0.00 C ATOM 1338 CG ASP A 86 0.589 6.407 -8.207 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.485 5.845 -7.550 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.734 6.714 -9.409 1.00 0.00 O ATOM 0 H ASP A 86 -3.035 6.958 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.778 5.068 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.228 7.530 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.518 7.141 -6.529 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.071 4.881 -5.151 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.528 4.022 -4.102 1.00 0.00 C ATOM 1347 C ALA A 87 -1.244 2.679 -4.056 1.00 0.00 C ATOM 1348 O ALA A 87 -0.617 1.645 -3.855 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.612 4.708 -2.748 1.00 0.00 C ATOM 0 H ALA A 87 -1.456 5.763 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 87 0.520 3.838 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.202 4.051 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.040 5.636 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.654 4.930 -2.517 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.561 2.697 -4.242 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.341 1.466 -4.272 1.00 0.00 C ATOM 1357 C LEU A 88 -2.939 0.605 -5.460 1.00 0.00 C ATOM 1358 O LEU A 88 -2.880 -0.621 -5.360 1.00 0.00 O ATOM 1359 CB LEU A 88 -4.835 1.778 -4.327 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.408 2.436 -3.068 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -6.888 2.722 -3.247 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.178 1.550 -1.851 1.00 0.00 C ATOM 0 H LEU A 88 -3.108 3.548 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.135 0.911 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.023 2.433 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.377 0.851 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.891 3.382 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.280 3.189 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.029 3.394 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.419 1.788 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.591 2.033 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.669 0.589 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.108 1.393 -1.712 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.653 1.254 -6.583 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.177 0.561 -7.776 1.00 0.00 C ATOM 1376 C LEU A 89 -0.794 -0.027 -7.501 1.00 0.00 C ATOM 1377 O LEU A 89 -0.524 -1.187 -7.810 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.146 1.537 -8.967 1.00 0.00 C ATOM 1379 CG LEU A 89 -1.898 0.919 -10.351 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -2.391 1.858 -11.440 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -0.422 0.619 -10.564 1.00 0.00 C ATOM 0 H LEU A 89 -2.743 2.264 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.853 -0.256 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.096 2.070 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.370 2.279 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.450 -0.019 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.210 1.409 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.459 2.033 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.858 2.806 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.278 0.182 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.152 1.543 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.080 -0.083 -9.804 1.00 0.00 H new ATOM 1393 N ARG A 90 0.060 0.781 -6.890 1.00 0.00 N ATOM 1394 CA ARG A 90 1.413 0.367 -6.534 1.00 0.00 C ATOM 1395 C ARG A 90 1.369 -0.793 -5.539 1.00 0.00 C ATOM 1396 O ARG A 90 2.153 -1.737 -5.634 1.00 0.00 O ATOM 1397 CB ARG A 90 2.160 1.565 -5.934 1.00 0.00 C ATOM 1398 CG ARG A 90 3.645 1.342 -5.684 1.00 0.00 C ATOM 1399 CD ARG A 90 4.296 2.625 -5.184 1.00 0.00 C ATOM 1400 NE ARG A 90 5.731 2.486 -4.940 1.00 0.00 N ATOM 1401 CZ ARG A 90 6.575 3.521 -4.852 1.00 0.00 C ATOM 1402 NH1 ARG A 90 6.142 4.759 -5.065 1.00 0.00 N ATOM 1403 NH2 ARG A 90 7.852 3.305 -4.568 1.00 0.00 N ATOM 0 H ARG A 90 -0.163 1.741 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 90 1.938 0.025 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.044 2.418 -6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.685 1.834 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.782 0.547 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.130 1.014 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.134 3.416 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.806 2.938 -4.262 1.00 0.00 H new ATOM 0 HE ARG A 90 6.111 1.546 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.162 4.924 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.789 5.544 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.187 2.353 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.499 4.090 -4.500 1.00 0.00 H new ATOM 1417 N LEU A 91 0.429 -0.719 -4.604 1.00 0.00 N ATOM 1418 CA LEU A 91 0.257 -1.750 -3.586 1.00 0.00 C ATOM 1419 C LEU A 91 -0.236 -3.052 -4.198 1.00 0.00 C ATOM 1420 O LEU A 91 0.354 -4.111 -3.988 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.751 -1.273 -2.536 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.945 -2.203 -1.337 1.00 0.00 C ATOM 1423 CD1 LEU A 91 0.341 -2.317 -0.532 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.080 -1.701 -0.461 1.00 0.00 C ATOM 0 H LEU A 91 -0.233 0.053 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 91 1.226 -1.932 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.432 -0.298 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.716 -1.131 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.203 -3.195 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.182 -2.983 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.132 -2.719 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.632 -1.331 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.208 -2.372 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.846 -0.699 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.002 -1.671 -1.042 1.00 0.00 H new ATOM 1436 N SER A 92 -1.314 -2.959 -4.962 1.00 0.00 N ATOM 1437 CA SER A 92 -1.916 -4.131 -5.590 1.00 0.00 C ATOM 1438 C SER A 92 -0.935 -4.804 -6.540 1.00 0.00 C ATOM 1439 O SER A 92 -0.866 -6.036 -6.613 1.00 0.00 O ATOM 1440 CB SER A 92 -3.202 -3.740 -6.324 1.00 0.00 C ATOM 1441 OG SER A 92 -2.992 -2.625 -7.169 1.00 0.00 O ATOM 0 H SER A 92 -1.793 -2.082 -5.164 1.00 0.00 H new ATOM 0 HA SER A 92 -2.168 -4.847 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.558 -4.585 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.981 -3.508 -5.598 1.00 0.00 H new ATOM 0 HG SER A 92 -3.012 -1.803 -6.636 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.178 -3.991 -7.260 1.00 0.00 N ATOM 1448 CA GLU A 93 0.863 -4.495 -8.144 1.00 0.00 C ATOM 1449 C GLU A 93 1.899 -5.258 -7.332 1.00 0.00 C ATOM 1450 O GLU A 93 2.231 -6.393 -7.654 1.00 0.00 O ATOM 1451 CB GLU A 93 1.536 -3.338 -8.883 1.00 0.00 C ATOM 1452 CG GLU A 93 1.777 -3.605 -10.360 1.00 0.00 C ATOM 1453 CD GLU A 93 2.589 -4.858 -10.623 1.00 0.00 C ATOM 1454 OE1 GLU A 93 3.822 -4.832 -10.410 1.00 0.00 O ATOM 1455 OE2 GLU A 93 1.999 -5.865 -11.076 1.00 0.00 O ATOM 0 H GLU A 93 -0.265 -2.975 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 93 0.411 -5.164 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.917 -2.447 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.490 -3.120 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.816 -3.691 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.292 -2.749 -10.797 1.00 0.00 H new ATOM 1462 N LEU A 94 2.377 -4.628 -6.264 1.00 0.00 N ATOM 1463 CA LEU A 94 3.399 -5.209 -5.396 1.00 0.00 C ATOM 1464 C LEU A 94 2.954 -6.577 -4.868 1.00 0.00 C ATOM 1465 O LEU A 94 3.740 -7.527 -4.858 1.00 0.00 O ATOM 1466 CB LEU A 94 3.699 -4.242 -4.237 1.00 0.00 C ATOM 1467 CG LEU A 94 4.927 -4.564 -3.369 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.422 -3.302 -2.682 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.598 -5.616 -2.320 1.00 0.00 C ATOM 0 H LEU A 94 2.068 -3.700 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 94 4.311 -5.362 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.829 -3.243 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.824 -4.206 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 94 5.706 -4.958 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.292 -3.539 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.698 -2.563 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.632 -2.898 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.485 -5.823 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.802 -5.248 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.271 -6.532 -2.813 1.00 0.00 H new ATOM 1481 N ILE A 95 1.696 -6.669 -4.445 1.00 0.00 N ATOM 1482 CA ILE A 95 1.149 -7.912 -3.903 1.00 0.00 C ATOM 1483 C ILE A 95 1.241 -9.045 -4.926 1.00 0.00 C ATOM 1484 O ILE A 95 1.714 -10.141 -4.620 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.324 -7.741 -3.462 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.430 -6.680 -2.360 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.893 -9.070 -2.978 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.850 -6.404 -1.922 1.00 0.00 C ATOM 0 H ILE A 95 1.033 -5.894 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 95 1.749 -8.166 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.907 -7.409 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.151 -7.005 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.019 -5.752 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.930 -8.932 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.848 -9.801 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.309 -9.429 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.849 -5.644 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.431 -6.049 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.296 -7.320 -1.536 1.00 0.00 H new ATOM 1500 N VAL A 96 0.809 -8.764 -6.147 1.00 0.00 N ATOM 1501 CA VAL A 96 0.832 -9.761 -7.209 1.00 0.00 C ATOM 1502 C VAL A 96 2.262 -9.977 -7.707 1.00 0.00 C ATOM 1503 O VAL A 96 2.649 -11.087 -8.055 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.075 -9.349 -8.394 1.00 0.00 C ATOM 1505 CG1 VAL A 96 -0.114 -10.442 -9.453 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.480 -9.028 -7.909 1.00 0.00 C ATOM 0 H VAL A 96 0.439 -7.856 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 96 0.448 -10.692 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 96 0.347 -8.451 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.758 -10.129 -10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.893 -10.621 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.506 -11.360 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.101 -8.741 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.908 -9.907 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.439 -8.206 -7.194 1.00 0.00 H new ATOM 1516 N ASN A 97 3.038 -8.902 -7.715 1.00 0.00 N ATOM 1517 CA ASN A 97 4.418 -8.932 -8.187 1.00 0.00 C ATOM 1518 C ASN A 97 5.259 -9.879 -7.339 1.00 0.00 C ATOM 1519 O ASN A 97 6.118 -10.592 -7.856 1.00 0.00 O ATOM 1520 CB ASN A 97 4.995 -7.517 -8.151 1.00 0.00 C ATOM 1521 CG ASN A 97 6.194 -7.326 -9.056 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.062 -8.191 -9.176 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.224 -6.197 -9.739 1.00 0.00 N ATOM 0 H ASN A 97 2.730 -7.984 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 97 4.437 -9.301 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.217 -6.809 -8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.282 -7.277 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.985 -6.017 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.486 -5.504 -9.612 1.00 0.00 H new ATOM 1530 N ALA A 98 4.988 -9.908 -6.040 1.00 0.00 N ATOM 1531 CA ALA A 98 5.684 -10.814 -5.135 1.00 0.00 C ATOM 1532 C ALA A 98 5.382 -12.271 -5.482 1.00 0.00 C ATOM 1533 O ALA A 98 6.182 -13.166 -5.214 1.00 0.00 O ATOM 1534 CB ALA A 98 5.301 -10.525 -3.694 1.00 0.00 C ATOM 0 H ALA A 98 4.291 -9.315 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 98 6.755 -10.650 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.830 -11.211 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.571 -9.499 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.226 -10.657 -3.570 1.00 0.00 H new ATOM 1540 N ALA A 99 4.223 -12.496 -6.089 1.00 0.00 N ATOM 1541 CA ALA A 99 3.826 -13.833 -6.506 1.00 0.00 C ATOM 1542 C ALA A 99 4.390 -14.161 -7.885 1.00 0.00 C ATOM 1543 O ALA A 99 4.351 -15.311 -8.326 1.00 0.00 O ATOM 1544 CB ALA A 99 2.309 -13.961 -6.506 1.00 0.00 C ATOM 0 H ALA A 99 3.541 -11.768 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 99 4.235 -14.549 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.029 -14.966 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.928 -13.775 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.882 -13.233 -7.196 1.00 0.00 H new ATOM 1550 N LYS A 100 4.914 -13.141 -8.564 1.00 0.00 N ATOM 1551 CA LYS A 100 5.535 -13.329 -9.871 1.00 0.00 C ATOM 1552 C LYS A 100 7.000 -13.686 -9.704 1.00 0.00 C ATOM 1553 O LYS A 100 7.595 -14.346 -10.557 1.00 0.00 O ATOM 1554 CB LYS A 100 5.446 -12.053 -10.713 1.00 0.00 C ATOM 1555 CG LYS A 100 4.058 -11.451 -10.817 1.00 0.00 C ATOM 1556 CD LYS A 100 4.087 -10.169 -11.629 1.00 0.00 C ATOM 1557 CE LYS A 100 2.826 -9.346 -11.435 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.856 -8.094 -12.234 1.00 0.00 N ATOM 0 H LYS A 100 4.920 -12.177 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 100 5.001 -14.134 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.118 -11.308 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.807 -12.272 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.380 -12.167 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.670 -11.246 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.955 -9.576 -11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.203 -10.411 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.957 -9.939 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.711 -9.101 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.854 -7.274 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.716 -8.076 -12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.019 -8.055 -12.850 1.00 0.00 H new ATOM 1572 N LEU A 101 7.562 -13.252 -8.593 1.00 0.00 N ATOM 1573 CA LEU A 101 8.976 -13.414 -8.328 1.00 0.00 C ATOM 1574 C LEU A 101 9.270 -14.770 -7.708 1.00 0.00 C ATOM 1575 O LEU A 101 8.909 -15.030 -6.559 1.00 0.00 O ATOM 1576 CB LEU A 101 9.454 -12.305 -7.392 1.00 0.00 C ATOM 1577 CG LEU A 101 9.288 -10.882 -7.931 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.771 -9.870 -6.904 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.038 -10.717 -9.245 1.00 0.00 C ATOM 0 H LEU A 101 7.050 -12.777 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 101 9.509 -13.352 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.910 -12.386 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.507 -12.471 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 101 8.230 -10.703 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.647 -8.862 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.188 -9.974 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.824 -10.047 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.908 -9.699 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.098 -10.913 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.645 -11.421 -9.979 1.00 0.00 H new ATOM 1591 N GLU A 102 9.901 -15.640 -8.480 1.00 0.00 N ATOM 1592 CA GLU A 102 10.368 -16.912 -7.963 1.00 0.00 C ATOM 1593 C GLU A 102 11.833 -16.783 -7.555 1.00 0.00 C ATOM 1594 O GLU A 102 12.266 -15.706 -7.139 1.00 0.00 O ATOM 1595 CB GLU A 102 10.196 -18.014 -9.014 1.00 0.00 C ATOM 1596 CG GLU A 102 8.763 -18.181 -9.486 1.00 0.00 C ATOM 1597 CD GLU A 102 8.539 -19.483 -10.219 1.00 0.00 C ATOM 1598 OE1 GLU A 102 8.784 -19.539 -11.441 1.00 0.00 O ATOM 1599 OE2 GLU A 102 8.113 -20.463 -9.571 1.00 0.00 O ATOM 0 H GLU A 102 10.101 -15.486 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 102 9.776 -17.185 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.829 -17.789 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.546 -18.959 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.094 -18.133 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.501 -17.350 -10.141 1.00 0.00 H new ATOM 1606 N HIS A 103 12.586 -17.876 -7.678 1.00 0.00 N ATOM 1607 CA HIS A 103 14.014 -17.887 -7.344 1.00 0.00 C ATOM 1608 C HIS A 103 14.193 -17.687 -5.842 1.00 0.00 C ATOM 1609 O HIS A 103 13.253 -17.858 -5.063 1.00 0.00 O ATOM 1610 CB HIS A 103 14.787 -16.785 -8.102 1.00 0.00 C ATOM 1611 CG HIS A 103 14.578 -16.766 -9.591 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.853 -15.666 -10.372 1.00 0.00 N ATOM 1613 CD2 HIS A 103 14.114 -17.714 -10.438 1.00 0.00 C ATOM 1614 CE1 HIS A 103 14.566 -15.935 -11.629 1.00 0.00 C ATOM 1615 NE2 HIS A 103 14.114 -17.171 -11.700 1.00 0.00 N ATOM 0 H HIS A 103 12.229 -18.772 -8.009 1.00 0.00 H new ATOM 0 HA HIS A 103 14.418 -18.853 -7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.496 -15.816 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 103 15.852 -16.907 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.801 -18.713 -10.171 1.00 0.00 H new ATOM 0 HE1 HIS A 103 14.682 -15.257 -12.462 1.00 0.00 H new ATOM 0 HE2 HIS A 103 13.814 -17.646 -12.551 1.00 0.00 H new ATOM 1624 N HIS A 104 15.408 -17.353 -5.437 1.00 0.00 N ATOM 1625 CA HIS A 104 15.671 -16.948 -4.065 1.00 0.00 C ATOM 1626 C HIS A 104 16.332 -15.577 -4.052 1.00 0.00 C ATOM 1627 O HIS A 104 16.263 -14.852 -3.057 1.00 0.00 O ATOM 1628 CB HIS A 104 16.535 -17.988 -3.346 1.00 0.00 C ATOM 1629 CG HIS A 104 15.772 -19.217 -2.963 1.00 0.00 C ATOM 1630 ND1 HIS A 104 16.028 -20.470 -3.479 1.00 0.00 N ATOM 1631 CD2 HIS A 104 14.748 -19.376 -2.094 1.00 0.00 C ATOM 1632 CE1 HIS A 104 15.192 -21.342 -2.942 1.00 0.00 C ATOM 1633 NE2 HIS A 104 14.407 -20.703 -2.097 1.00 0.00 N ATOM 0 H HIS A 104 16.230 -17.354 -6.041 1.00 0.00 H new ATOM 0 HA HIS A 104 14.725 -16.882 -3.527 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.367 -18.270 -3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.964 -17.539 -2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.284 -18.599 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.158 -22.399 -3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.667 -21.127 -1.537 1.00 0.00 H new ATOM 1642 N HIS A 105 16.961 -15.244 -5.177 1.00 0.00 N ATOM 1643 CA HIS A 105 17.540 -13.924 -5.417 1.00 0.00 C ATOM 1644 C HIS A 105 18.616 -13.597 -4.385 1.00 0.00 C ATOM 1645 O HIS A 105 19.757 -14.032 -4.519 1.00 0.00 O ATOM 1646 CB HIS A 105 16.450 -12.847 -5.422 1.00 0.00 C ATOM 1647 CG HIS A 105 16.743 -11.692 -6.326 1.00 0.00 C ATOM 1648 ND1 HIS A 105 17.010 -10.420 -5.871 1.00 0.00 N ATOM 1649 CD2 HIS A 105 16.781 -11.621 -7.673 1.00 0.00 C ATOM 1650 CE1 HIS A 105 17.194 -9.619 -6.901 1.00 0.00 C ATOM 1651 NE2 HIS A 105 17.060 -10.321 -8.011 1.00 0.00 N ATOM 0 H HIS A 105 17.084 -15.890 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 105 18.012 -13.940 -6.399 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.506 -13.301 -5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.315 -12.476 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 105 16.621 -12.439 -8.360 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.417 -8.564 -6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.149 -9.958 -8.960 1.00 0.00 H new ATOM 1660 N HIS A 106 18.233 -12.864 -3.349 1.00 0.00 N ATOM 1661 CA HIS A 106 19.152 -12.451 -2.294 1.00 0.00 C ATOM 1662 C HIS A 106 18.362 -11.844 -1.142 1.00 0.00 C ATOM 1663 O HIS A 106 17.578 -10.918 -1.340 1.00 0.00 O ATOM 1664 CB HIS A 106 20.167 -11.419 -2.815 1.00 0.00 C ATOM 1665 CG HIS A 106 21.588 -11.910 -2.860 1.00 0.00 C ATOM 1666 ND1 HIS A 106 22.503 -11.659 -1.859 1.00 0.00 N ATOM 1667 CD2 HIS A 106 22.258 -12.619 -3.803 1.00 0.00 C ATOM 1668 CE1 HIS A 106 23.663 -12.195 -2.182 1.00 0.00 C ATOM 1669 NE2 HIS A 106 23.545 -12.781 -3.354 1.00 0.00 N ATOM 0 H HIS A 106 17.276 -12.538 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 106 19.699 -13.330 -1.952 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.871 -11.111 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.122 -10.532 -2.182 1.00 0.00 H new ATOM 0 HD1 HIS A 106 22.312 -11.140 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 106 21.854 -12.988 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 106 24.561 -12.159 -1.584 1.00 0.00 H new ATOM 1678 N HIS A 107 18.548 -12.380 0.049 1.00 0.00 N ATOM 1679 CA HIS A 107 17.921 -11.820 1.238 1.00 0.00 C ATOM 1680 C HIS A 107 18.936 -10.990 2.007 1.00 0.00 C ATOM 1681 O HIS A 107 18.599 -10.290 2.960 1.00 0.00 O ATOM 1682 CB HIS A 107 17.325 -12.919 2.122 1.00 0.00 C ATOM 1683 CG HIS A 107 15.982 -13.387 1.650 1.00 0.00 C ATOM 1684 ND1 HIS A 107 15.738 -14.657 1.166 1.00 0.00 N ATOM 1685 CD2 HIS A 107 14.798 -12.734 1.589 1.00 0.00 C ATOM 1686 CE1 HIS A 107 14.464 -14.760 0.828 1.00 0.00 C ATOM 1687 NE2 HIS A 107 13.872 -13.607 1.077 1.00 0.00 N ATOM 0 H HIS A 107 19.127 -13.202 0.222 1.00 0.00 H new ATOM 0 HA HIS A 107 17.099 -11.175 0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.010 -13.767 2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.236 -12.548 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.616 -11.713 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.988 -15.639 0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.887 -13.399 0.915 1.00 0.00 H new ATOM 1696 N HIS A 108 20.185 -11.091 1.585 1.00 0.00 N ATOM 1697 CA HIS A 108 21.252 -10.241 2.095 1.00 0.00 C ATOM 1698 C HIS A 108 22.068 -9.710 0.930 1.00 0.00 C ATOM 1699 O HIS A 108 23.006 -10.408 0.495 1.00 0.00 O ATOM 1700 CB HIS A 108 22.164 -10.996 3.069 1.00 0.00 C ATOM 1701 CG HIS A 108 21.534 -11.306 4.391 1.00 0.00 C ATOM 1702 ND1 HIS A 108 21.751 -10.547 5.520 1.00 0.00 N ATOM 1703 CD2 HIS A 108 20.689 -12.296 4.763 1.00 0.00 C ATOM 1704 CE1 HIS A 108 21.072 -11.059 6.531 1.00 0.00 C ATOM 1705 NE2 HIS A 108 20.417 -12.118 6.095 1.00 0.00 N ATOM 1706 OXT HIS A 108 21.733 -8.621 0.420 1.00 0.00 O ATOM 0 H HIS A 108 20.490 -11.763 0.880 1.00 0.00 H new ATOM 0 HA HIS A 108 20.798 -9.416 2.643 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.480 -11.929 2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 108 23.063 -10.404 3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.301 -13.080 4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.056 -10.676 7.541 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.806 -12.709 6.658 1.00 0.00 H new TER 1715 HIS A 108