USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 803 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 50 HIS : no HD1:sc= -0.831 X(o=-0.96,f=-0.95) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.126 K(o=-0.96,f=-1.5) USER MOD Set 2.1: A 46 TYR OH : rot 97:sc= 0.233 USER MOD Set 2.2: A 94 LYS NZ :NH3+ -113:sc= -0.276 (180deg=-1.13!) USER MOD Set 3.1: A 41 TYR OH : rot 80:sc= 0.42 USER MOD Set 3.2: A 63 ASN : amide:sc= -0.0293 X(o=0.39,f=0.24) USER MOD Set 4.1: A 20 THR OG1 : rot 178:sc= -2.22 USER MOD Set 4.2: A 23 SER OG : rot -39:sc= 0.0231 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.144 USER MOD Single : A 10 THR OG1 : rot 128:sc= 0.488 USER MOD Single : A 14 MET CE :methyl -113:sc= -0.0032 (180deg=-0.528) USER MOD Single : A 15 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-1) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.88! C(o=-2.7!,f=-1.9!) USER MOD Single : A 18 SER OG : rot 31:sc= 0.774 USER MOD Single : A 21 MET CE :methyl 161:sc= -0.524 (180deg=-1.02) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.56) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.9) USER MOD Single : A 55 SER OG : rot -17:sc= -2.04 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -115:sc= -1.71 (180deg=-2.69) USER MOD Single : A 60 SER OG : rot -165:sc= 0.272 USER MOD Single : A 61 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.4!) USER MOD Single : A 62 THR OG1 : rot 72:sc= -1.22! USER MOD Single : A 64 THR OG1 : rot 59:sc= 0.154 USER MOD Single : A 74 MET CE :methyl -127:sc= 0 (180deg=-0.00201) USER MOD Single : A 76 TYR OH : rot -132:sc= 0.17 USER MOD Single : A 79 GLN : amide:sc= -3.05! C(o=-3.1!,f=-3.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00314 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 110:sc= -0.178 USER MOD Single : A 95 MET CE :methyl 154:sc= -2.42 (180deg=-4.69!) USER MOD Single : A 96 CYS SG : rot 36:sc= 0.12 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot -146:sc= 0.302 USER MOD Single : A 101 THR OG1 : rot 18:sc= 1.14 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.773 -20.730 -4.566 1.00 0.00 N ATOM 2 CA GLY A 1 -16.010 -21.061 -3.883 1.00 0.00 C ATOM 3 C GLY A 1 -15.819 -21.229 -2.388 1.00 0.00 C ATOM 4 O GLY A 1 -16.116 -20.322 -1.612 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.956 -20.626 -5.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.396 -19.837 -4.189 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.079 -21.490 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.744 -20.277 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.417 -21.982 -4.300 1.00 0.00 H new ATOM 8 N SER A 2 -15.325 -22.395 -1.984 1.00 0.00 N ATOM 9 CA SER A 2 -15.100 -22.682 -0.572 1.00 0.00 C ATOM 10 C SER A 2 -13.620 -22.563 -0.222 1.00 0.00 C ATOM 11 O SER A 2 -13.242 -21.813 0.677 1.00 0.00 O ATOM 12 CB SER A 2 -15.606 -24.084 -0.228 1.00 0.00 C ATOM 13 OG SER A 2 -17.015 -24.165 -0.361 1.00 0.00 O ATOM 0 H SER A 2 -15.073 -23.156 -2.614 1.00 0.00 H new ATOM 0 HA SER A 2 -15.654 -21.949 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.133 -24.816 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.319 -24.337 0.792 1.00 0.00 H new ATOM 0 HG SER A 2 -17.313 -25.071 -0.137 1.00 0.00 H new ATOM 19 N SER A 3 -12.787 -23.309 -0.941 1.00 0.00 N ATOM 20 CA SER A 3 -11.348 -23.292 -0.705 1.00 0.00 C ATOM 21 C SER A 3 -10.800 -21.871 -0.794 1.00 0.00 C ATOM 22 O SER A 3 -11.329 -21.034 -1.525 1.00 0.00 O ATOM 23 CB SER A 3 -10.633 -24.190 -1.716 1.00 0.00 C ATOM 24 OG SER A 3 -10.902 -23.778 -3.044 1.00 0.00 O ATOM 0 H SER A 3 -13.084 -23.933 -1.692 1.00 0.00 H new ATOM 0 HA SER A 3 -11.165 -23.672 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.559 -24.164 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.954 -25.223 -1.580 1.00 0.00 H new ATOM 0 HG SER A 3 -10.432 -24.367 -3.671 1.00 0.00 H new ATOM 30 N GLY A 4 -9.735 -21.605 -0.043 1.00 0.00 N ATOM 31 CA GLY A 4 -9.133 -20.285 -0.051 1.00 0.00 C ATOM 32 C GLY A 4 -8.503 -19.943 -1.387 1.00 0.00 C ATOM 33 O GLY A 4 -8.476 -20.770 -2.298 1.00 0.00 O ATOM 0 H GLY A 4 -9.279 -22.280 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.892 -19.541 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.374 -20.230 0.730 1.00 0.00 H new ATOM 37 N SER A 5 -7.997 -18.719 -1.505 1.00 0.00 N ATOM 38 CA SER A 5 -7.370 -18.267 -2.741 1.00 0.00 C ATOM 39 C SER A 5 -5.866 -18.521 -2.712 1.00 0.00 C ATOM 40 O SER A 5 -5.281 -18.729 -1.649 1.00 0.00 O ATOM 41 CB SER A 5 -7.643 -16.778 -2.962 1.00 0.00 C ATOM 42 OG SER A 5 -8.894 -16.578 -3.596 1.00 0.00 O ATOM 0 H SER A 5 -8.009 -18.023 -0.759 1.00 0.00 H new ATOM 0 HA SER A 5 -7.801 -18.834 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.629 -16.257 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.849 -16.346 -3.572 1.00 0.00 H new ATOM 0 HG SER A 5 -9.046 -15.618 -3.725 1.00 0.00 H new ATOM 48 N SER A 6 -5.246 -18.504 -3.888 1.00 0.00 N ATOM 49 CA SER A 6 -3.811 -18.736 -3.999 1.00 0.00 C ATOM 50 C SER A 6 -3.128 -17.581 -4.724 1.00 0.00 C ATOM 51 O SER A 6 -3.781 -16.630 -5.153 1.00 0.00 O ATOM 52 CB SER A 6 -3.541 -20.048 -4.738 1.00 0.00 C ATOM 53 OG SER A 6 -3.913 -19.951 -6.102 1.00 0.00 O ATOM 0 H SER A 6 -5.715 -18.332 -4.777 1.00 0.00 H new ATOM 0 HA SER A 6 -3.400 -18.803 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.483 -20.300 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.096 -20.857 -4.263 1.00 0.00 H new ATOM 0 HG SER A 6 -3.729 -20.802 -6.553 1.00 0.00 H new ATOM 59 N GLY A 7 -1.808 -17.671 -4.857 1.00 0.00 N ATOM 60 CA GLY A 7 -1.057 -16.627 -5.530 1.00 0.00 C ATOM 61 C GLY A 7 0.330 -16.443 -4.947 1.00 0.00 C ATOM 62 O GLY A 7 0.825 -17.279 -4.192 1.00 0.00 O ATOM 0 H GLY A 7 -1.245 -18.448 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.973 -16.869 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.605 -15.687 -5.460 1.00 0.00 H new ATOM 66 N PRO A 8 0.981 -15.325 -5.301 1.00 0.00 N ATOM 67 CA PRO A 8 2.329 -15.008 -4.820 1.00 0.00 C ATOM 68 C PRO A 8 2.348 -14.666 -3.334 1.00 0.00 C ATOM 69 O PRO A 8 1.314 -14.351 -2.746 1.00 0.00 O ATOM 70 CB PRO A 8 2.725 -13.787 -5.655 1.00 0.00 C ATOM 71 CG PRO A 8 1.432 -13.155 -6.040 1.00 0.00 C ATOM 72 CD PRO A 8 0.451 -14.284 -6.197 1.00 0.00 C ATOM 0 HA PRO A 8 3.009 -15.853 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.346 -13.099 -5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.300 -14.078 -6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.099 -12.452 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.533 -12.594 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.557 -13.983 -5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.399 -14.631 -7.229 1.00 0.00 H new ATOM 80 N SER A 9 3.532 -14.730 -2.732 1.00 0.00 N ATOM 81 CA SER A 9 3.686 -14.431 -1.313 1.00 0.00 C ATOM 82 C SER A 9 3.243 -13.003 -1.009 1.00 0.00 C ATOM 83 O SER A 9 2.811 -12.270 -1.899 1.00 0.00 O ATOM 84 CB SER A 9 5.140 -14.628 -0.883 1.00 0.00 C ATOM 85 OG SER A 9 5.304 -14.362 0.499 1.00 0.00 O ATOM 0 H SER A 9 4.398 -14.986 -3.205 1.00 0.00 H new ATOM 0 HA SER A 9 3.053 -15.118 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.451 -15.650 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.786 -13.969 -1.463 1.00 0.00 H new ATOM 0 HG SER A 9 6.242 -14.497 0.749 1.00 0.00 H new ATOM 91 N THR A 10 3.353 -12.613 0.258 1.00 0.00 N ATOM 92 CA THR A 10 2.964 -11.274 0.682 1.00 0.00 C ATOM 93 C THR A 10 3.814 -10.800 1.855 1.00 0.00 C ATOM 94 O THR A 10 4.112 -11.569 2.770 1.00 0.00 O ATOM 95 CB THR A 10 1.478 -11.223 1.086 1.00 0.00 C ATOM 96 OG1 THR A 10 1.087 -9.870 1.341 1.00 0.00 O ATOM 97 CG2 THR A 10 1.224 -12.072 2.322 1.00 0.00 C ATOM 0 H THR A 10 3.708 -13.206 1.008 1.00 0.00 H new ATOM 0 HA THR A 10 3.125 -10.613 -0.170 1.00 0.00 H new ATOM 0 HB THR A 10 0.886 -11.623 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.289 -9.656 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.168 -12.020 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.496 -13.107 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.826 -11.698 3.150 1.00 0.00 H new ATOM 105 N VAL A 11 4.203 -9.530 1.823 1.00 0.00 N ATOM 106 CA VAL A 11 5.018 -8.952 2.885 1.00 0.00 C ATOM 107 C VAL A 11 4.414 -9.233 4.256 1.00 0.00 C ATOM 108 O VAL A 11 3.223 -9.027 4.491 1.00 0.00 O ATOM 109 CB VAL A 11 5.175 -7.430 2.707 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.787 -6.808 3.953 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.018 -7.122 1.479 1.00 0.00 C ATOM 0 H VAL A 11 3.967 -8.881 1.073 1.00 0.00 H new ATOM 0 HA VAL A 11 6.000 -9.421 2.821 1.00 0.00 H new ATOM 0 HB VAL A 11 4.187 -6.994 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.891 -5.732 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.141 -6.999 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.769 -7.246 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.119 -6.042 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.006 -7.569 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.535 -7.534 0.593 1.00 0.00 H new ATOM 121 N PRO A 12 5.253 -9.716 5.185 1.00 0.00 N ATOM 122 CA PRO A 12 4.824 -10.035 6.550 1.00 0.00 C ATOM 123 C PRO A 12 4.490 -8.786 7.359 1.00 0.00 C ATOM 124 O PRO A 12 3.548 -8.783 8.152 1.00 0.00 O ATOM 125 CB PRO A 12 6.039 -10.749 7.146 1.00 0.00 C ATOM 126 CG PRO A 12 7.200 -10.237 6.364 1.00 0.00 C ATOM 127 CD PRO A 12 6.685 -9.986 4.974 1.00 0.00 C ATOM 0 HA PRO A 12 3.913 -10.633 6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.148 -10.527 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.946 -11.831 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.594 -9.322 6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.014 -10.962 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.189 -9.141 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.840 -10.849 4.326 1.00 0.00 H new ATOM 135 N ILE A 13 5.266 -7.728 7.153 1.00 0.00 N ATOM 136 CA ILE A 13 5.050 -6.473 7.863 1.00 0.00 C ATOM 137 C ILE A 13 5.531 -5.285 7.037 1.00 0.00 C ATOM 138 O ILE A 13 6.359 -5.434 6.139 1.00 0.00 O ATOM 139 CB ILE A 13 5.773 -6.464 9.223 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.372 -5.228 10.030 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.280 -6.507 9.022 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.436 -5.436 11.527 1.00 0.00 C ATOM 0 H ILE A 13 6.050 -7.714 6.501 1.00 0.00 H new ATOM 0 HA ILE A 13 3.977 -6.386 8.031 1.00 0.00 H new ATOM 0 HB ILE A 13 5.476 -7.351 9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.026 -4.399 9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.358 -4.938 9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.777 -6.500 9.992 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.549 -7.415 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.595 -5.637 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.139 -4.519 12.035 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.761 -6.243 11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.455 -5.696 11.815 1.00 0.00 H new ATOM 154 N MET A 14 5.007 -4.104 7.349 1.00 0.00 N ATOM 155 CA MET A 14 5.386 -2.888 6.637 1.00 0.00 C ATOM 156 C MET A 14 6.149 -1.937 7.553 1.00 0.00 C ATOM 157 O MET A 14 6.018 -1.998 8.776 1.00 0.00 O ATOM 158 CB MET A 14 4.144 -2.191 6.079 1.00 0.00 C ATOM 159 CG MET A 14 3.529 -2.906 4.887 1.00 0.00 C ATOM 160 SD MET A 14 2.226 -1.942 4.095 1.00 0.00 S ATOM 161 CE MET A 14 3.197 -0.808 3.106 1.00 0.00 C ATOM 0 H MET A 14 4.320 -3.963 8.089 1.00 0.00 H new ATOM 0 HA MET A 14 6.039 -3.169 5.810 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.397 -2.111 6.869 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.409 -1.175 5.786 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.309 -3.124 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.121 -3.863 5.213 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.074 0.205 3.488 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.249 -1.089 3.157 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.860 -0.849 2.070 1.00 0.00 H new ATOM 171 N HIS A 15 6.947 -1.059 6.955 1.00 0.00 N ATOM 172 CA HIS A 15 7.732 -0.095 7.718 1.00 0.00 C ATOM 173 C HIS A 15 7.661 1.289 7.079 1.00 0.00 C ATOM 174 O HIS A 15 7.724 1.423 5.858 1.00 0.00 O ATOM 175 CB HIS A 15 9.188 -0.551 7.814 1.00 0.00 C ATOM 176 CG HIS A 15 9.353 -1.894 8.457 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.634 -2.056 9.797 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.274 -3.141 7.936 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.723 -3.345 10.073 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.507 -4.025 8.961 1.00 0.00 N ATOM 0 H HIS A 15 7.067 -0.995 5.944 1.00 0.00 H new ATOM 0 HA HIS A 15 7.312 -0.035 8.722 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.618 -0.581 6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.755 0.187 8.382 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.754 -1.299 10.470 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.067 -3.394 6.907 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.936 -3.770 11.043 1.00 0.00 H new ATOM 189 N GLN A 16 7.530 2.315 7.915 1.00 0.00 N ATOM 190 CA GLN A 16 7.450 3.688 7.431 1.00 0.00 C ATOM 191 C GLN A 16 8.815 4.366 7.486 1.00 0.00 C ATOM 192 O GLN A 16 9.530 4.264 8.483 1.00 0.00 O ATOM 193 CB GLN A 16 6.438 4.484 8.257 1.00 0.00 C ATOM 194 CG GLN A 16 6.738 5.973 8.315 1.00 0.00 C ATOM 195 CD GLN A 16 5.485 6.815 8.455 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.333 7.801 7.579 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.662 6.583 9.341 1.00 0.00 N flip ATOM 0 H GLN A 16 7.477 2.221 8.929 1.00 0.00 H new ATOM 0 HA GLN A 16 7.120 3.661 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.443 4.338 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.416 4.086 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.402 6.174 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.271 6.268 7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.818 5.815 9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.824 7.159 9.422 1.00 0.00 H new ATOM 206 N VAL A 17 9.171 5.058 6.408 1.00 0.00 N ATOM 207 CA VAL A 17 10.451 5.753 6.334 1.00 0.00 C ATOM 208 C VAL A 17 10.279 7.247 6.582 1.00 0.00 C ATOM 209 O VAL A 17 11.066 7.862 7.301 1.00 0.00 O ATOM 210 CB VAL A 17 11.124 5.544 4.965 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.453 6.282 4.906 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.316 4.061 4.686 1.00 0.00 C ATOM 0 H VAL A 17 8.591 5.152 5.574 1.00 0.00 H new ATOM 0 HA VAL A 17 11.088 5.330 7.111 1.00 0.00 H new ATOM 0 HB VAL A 17 10.473 5.954 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.914 6.123 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.284 7.348 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.114 5.904 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.793 3.932 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.946 3.624 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.347 3.563 4.683 1.00 0.00 H new ATOM 222 N SER A 18 9.244 7.826 5.980 1.00 0.00 N ATOM 223 CA SER A 18 8.971 9.250 6.133 1.00 0.00 C ATOM 224 C SER A 18 7.518 9.564 5.789 1.00 0.00 C ATOM 225 O SER A 18 6.750 8.676 5.421 1.00 0.00 O ATOM 226 CB SER A 18 9.906 10.069 5.241 1.00 0.00 C ATOM 227 OG SER A 18 11.143 10.312 5.887 1.00 0.00 O ATOM 0 H SER A 18 8.582 7.331 5.383 1.00 0.00 H new ATOM 0 HA SER A 18 9.146 9.519 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.079 9.538 4.305 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.433 11.017 4.986 1.00 0.00 H new ATOM 0 HG SER A 18 11.350 9.566 6.488 1.00 0.00 H new ATOM 233 N ALA A 19 7.149 10.835 5.911 1.00 0.00 N ATOM 234 CA ALA A 19 5.789 11.268 5.611 1.00 0.00 C ATOM 235 C ALA A 19 5.700 12.788 5.543 1.00 0.00 C ATOM 236 O ALA A 19 6.584 13.496 6.027 1.00 0.00 O ATOM 237 CB ALA A 19 4.822 10.726 6.653 1.00 0.00 C ATOM 0 H ALA A 19 7.772 11.583 6.215 1.00 0.00 H new ATOM 0 HA ALA A 19 5.514 10.871 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.810 11.057 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.858 9.637 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.104 11.096 7.639 1.00 0.00 H new ATOM 243 N THR A 20 4.626 13.287 4.937 1.00 0.00 N ATOM 244 CA THR A 20 4.422 14.724 4.804 1.00 0.00 C ATOM 245 C THR A 20 3.078 15.145 5.386 1.00 0.00 C ATOM 246 O THR A 20 2.355 14.328 5.956 1.00 0.00 O ATOM 247 CB THR A 20 4.492 15.166 3.330 1.00 0.00 C ATOM 248 OG1 THR A 20 3.220 14.974 2.700 1.00 0.00 O ATOM 249 CG2 THR A 20 5.558 14.383 2.579 1.00 0.00 C ATOM 0 H THR A 20 3.884 12.716 4.531 1.00 0.00 H new ATOM 0 HA THR A 20 5.223 15.210 5.360 1.00 0.00 H new ATOM 0 HB THR A 20 4.755 16.223 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.263 15.288 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.588 14.713 1.541 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.530 14.554 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.321 13.320 2.615 1.00 0.00 H new ATOM 257 N MET A 21 2.749 16.424 5.240 1.00 0.00 N ATOM 258 CA MET A 21 1.490 16.952 5.751 1.00 0.00 C ATOM 259 C MET A 21 0.316 16.476 4.901 1.00 0.00 C ATOM 260 O MET A 21 -0.794 16.298 5.403 1.00 0.00 O ATOM 261 CB MET A 21 1.527 18.482 5.777 1.00 0.00 C ATOM 262 CG MET A 21 2.125 19.053 7.053 1.00 0.00 C ATOM 263 SD MET A 21 1.639 20.765 7.342 1.00 0.00 S ATOM 264 CE MET A 21 -0.123 20.578 7.599 1.00 0.00 C ATOM 0 H MET A 21 3.337 17.114 4.772 1.00 0.00 H new ATOM 0 HA MET A 21 1.355 16.581 6.767 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.104 18.838 4.924 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.513 18.864 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.813 18.443 7.901 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.212 18.992 6.999 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.511 21.458 8.111 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.622 20.469 6.636 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.310 19.693 8.207 1.00 0.00 H new ATOM 274 N ARG A 22 0.569 16.270 3.613 1.00 0.00 N ATOM 275 CA ARG A 22 -0.468 15.816 2.694 1.00 0.00 C ATOM 276 C ARG A 22 -0.021 14.562 1.948 1.00 0.00 C ATOM 277 O ARG A 22 -0.508 14.271 0.855 1.00 0.00 O ATOM 278 CB ARG A 22 -0.814 16.921 1.694 1.00 0.00 C ATOM 279 CG ARG A 22 -1.397 18.167 2.341 1.00 0.00 C ATOM 280 CD ARG A 22 -1.121 19.408 1.508 1.00 0.00 C ATOM 281 NE ARG A 22 -1.883 19.412 0.262 1.00 0.00 N ATOM 282 CZ ARG A 22 -3.184 19.669 0.197 1.00 0.00 C ATOM 283 NH1 ARG A 22 -3.866 19.942 1.301 1.00 0.00 N ATOM 284 NH2 ARG A 22 -3.807 19.653 -0.975 1.00 0.00 N ATOM 0 H ARG A 22 1.483 16.410 3.182 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.356 15.574 3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.085 17.195 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.527 16.532 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.473 18.044 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.972 18.294 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.370 20.297 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.056 19.463 1.282 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.388 19.206 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.391 19.955 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.865 20.139 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.286 19.443 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.806 19.851 -1.024 1.00 0.00 H new ATOM 298 N SER A 23 0.908 13.824 2.545 1.00 0.00 N ATOM 299 CA SER A 23 1.424 12.604 1.935 1.00 0.00 C ATOM 300 C SER A 23 2.077 11.707 2.983 1.00 0.00 C ATOM 301 O SER A 23 2.208 12.087 4.147 1.00 0.00 O ATOM 302 CB SER A 23 2.435 12.944 0.838 1.00 0.00 C ATOM 303 OG SER A 23 2.032 14.094 0.114 1.00 0.00 O ATOM 0 H SER A 23 1.319 14.049 3.451 1.00 0.00 H new ATOM 0 HA SER A 23 0.585 12.066 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.415 13.115 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.537 12.099 0.157 1.00 0.00 H new ATOM 0 HG SER A 23 1.062 14.071 -0.023 1.00 0.00 H new ATOM 309 N ILE A 24 2.484 10.514 2.561 1.00 0.00 N ATOM 310 CA ILE A 24 3.124 9.563 3.461 1.00 0.00 C ATOM 311 C ILE A 24 4.041 8.614 2.697 1.00 0.00 C ATOM 312 O ILE A 24 3.689 8.121 1.625 1.00 0.00 O ATOM 313 CB ILE A 24 2.083 8.738 4.240 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.054 9.661 4.896 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.769 7.872 5.286 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.017 8.922 5.666 1.00 0.00 C ATOM 0 H ILE A 24 2.382 10.184 1.601 1.00 0.00 H new ATOM 0 HA ILE A 24 3.716 10.146 4.167 1.00 0.00 H new ATOM 0 HB ILE A 24 1.562 8.085 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.569 10.344 5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.581 10.270 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.020 7.295 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.466 7.192 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.313 8.508 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.711 9.640 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.558 8.259 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.445 8.334 6.459 1.00 0.00 H new ATOM 328 N THR A 25 5.219 8.360 3.257 1.00 0.00 N ATOM 329 CA THR A 25 6.187 7.469 2.630 1.00 0.00 C ATOM 330 C THR A 25 6.346 6.180 3.427 1.00 0.00 C ATOM 331 O THR A 25 6.563 6.210 4.639 1.00 0.00 O ATOM 332 CB THR A 25 7.564 8.145 2.489 1.00 0.00 C ATOM 333 OG1 THR A 25 7.399 9.540 2.210 1.00 0.00 O ATOM 334 CG2 THR A 25 8.376 7.494 1.380 1.00 0.00 C ATOM 0 H THR A 25 5.526 8.759 4.144 1.00 0.00 H new ATOM 0 HA THR A 25 5.802 7.234 1.638 1.00 0.00 H new ATOM 0 HB THR A 25 8.101 8.024 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.279 9.963 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.344 7.988 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.525 6.439 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.841 7.587 0.435 1.00 0.00 H new ATOM 342 N LEU A 26 6.237 5.048 2.741 1.00 0.00 N ATOM 343 CA LEU A 26 6.370 3.746 3.386 1.00 0.00 C ATOM 344 C LEU A 26 7.285 2.829 2.580 1.00 0.00 C ATOM 345 O LEU A 26 7.740 3.189 1.494 1.00 0.00 O ATOM 346 CB LEU A 26 4.996 3.095 3.552 1.00 0.00 C ATOM 347 CG LEU A 26 3.858 4.026 3.974 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.510 3.408 3.638 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.949 4.339 5.460 1.00 0.00 C ATOM 0 H LEU A 26 6.057 5.005 1.738 1.00 0.00 H new ATOM 0 HA LEU A 26 6.815 3.899 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.723 2.625 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.080 2.299 4.292 1.00 0.00 H new ATOM 0 HG LEU A 26 3.954 4.960 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.713 4.085 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.446 3.236 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.404 2.459 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.132 5.002 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.879 3.414 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.901 4.826 5.672 1.00 0.00 H new ATOM 361 N SER A 27 7.549 1.643 3.119 1.00 0.00 N ATOM 362 CA SER A 27 8.411 0.676 2.451 1.00 0.00 C ATOM 363 C SER A 27 8.189 -0.727 3.010 1.00 0.00 C ATOM 364 O SER A 27 7.899 -0.895 4.194 1.00 0.00 O ATOM 365 CB SER A 27 9.880 1.074 2.610 1.00 0.00 C ATOM 366 OG SER A 27 10.737 0.104 2.031 1.00 0.00 O ATOM 0 H SER A 27 7.178 1.329 4.016 1.00 0.00 H new ATOM 0 HA SER A 27 8.156 0.671 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.051 2.042 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.117 1.188 3.668 1.00 0.00 H new ATOM 0 HG SER A 27 11.670 0.382 2.144 1.00 0.00 H new ATOM 372 N TRP A 28 8.328 -1.728 2.149 1.00 0.00 N ATOM 373 CA TRP A 28 8.143 -3.117 2.556 1.00 0.00 C ATOM 374 C TRP A 28 9.236 -4.005 1.974 1.00 0.00 C ATOM 375 O TRP A 28 9.721 -3.787 0.863 1.00 0.00 O ATOM 376 CB TRP A 28 6.768 -3.621 2.112 1.00 0.00 C ATOM 377 CG TRP A 28 6.470 -3.338 0.671 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.551 -4.218 -0.371 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.043 -2.091 0.112 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.201 -3.592 -1.543 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.885 -2.287 -1.274 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.778 -0.828 0.648 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.474 -1.267 -2.128 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.371 0.184 -0.201 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.222 -0.040 -1.576 1.00 0.00 C ATOM 0 H TRP A 28 8.568 -1.605 1.165 1.00 0.00 H new ATOM 0 HA TRP A 28 8.205 -3.162 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.710 -4.696 2.284 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.001 -3.157 2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.847 -5.253 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.180 -4.029 -2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.889 -0.646 1.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.358 -1.438 -3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.164 1.164 0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.902 0.771 -2.213 1.00 0.00 H new ATOM 396 N PRO A 29 9.635 -5.032 2.738 1.00 0.00 N ATOM 397 CA PRO A 29 10.676 -5.975 2.317 1.00 0.00 C ATOM 398 C PRO A 29 10.215 -6.876 1.177 1.00 0.00 C ATOM 399 O PRO A 29 9.033 -7.202 1.071 1.00 0.00 O ATOM 400 CB PRO A 29 10.938 -6.801 3.579 1.00 0.00 C ATOM 401 CG PRO A 29 9.671 -6.715 4.358 1.00 0.00 C ATOM 402 CD PRO A 29 9.101 -5.353 4.073 1.00 0.00 C ATOM 0 HA PRO A 29 11.559 -5.463 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.182 -7.834 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.779 -6.402 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.975 -7.499 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.859 -6.844 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.011 -5.365 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.415 -4.622 4.818 1.00 0.00 H new ATOM 410 N GLN A 30 11.156 -7.275 0.327 1.00 0.00 N ATOM 411 CA GLN A 30 10.844 -8.138 -0.806 1.00 0.00 C ATOM 412 C GLN A 30 10.646 -9.581 -0.353 1.00 0.00 C ATOM 413 O GLN A 30 11.439 -10.132 0.412 1.00 0.00 O ATOM 414 CB GLN A 30 11.960 -8.068 -1.850 1.00 0.00 C ATOM 415 CG GLN A 30 11.641 -8.818 -3.133 1.00 0.00 C ATOM 416 CD GLN A 30 12.768 -8.750 -4.145 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.804 -9.395 -3.982 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.572 -7.965 -5.198 1.00 0.00 N ATOM 0 H GLN A 30 12.139 -7.015 0.401 1.00 0.00 H new ATOM 0 HA GLN A 30 9.915 -7.786 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.157 -7.023 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.875 -8.475 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.432 -9.861 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.735 -8.404 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.698 -7.448 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.296 -7.879 -5.912 1.00 0.00 H new ATOM 427 N PRO A 31 9.564 -10.210 -0.834 1.00 0.00 N ATOM 428 CA PRO A 31 9.236 -11.597 -0.491 1.00 0.00 C ATOM 429 C PRO A 31 10.210 -12.593 -1.111 1.00 0.00 C ATOM 430 O PRO A 31 10.983 -12.244 -2.004 1.00 0.00 O ATOM 431 CB PRO A 31 7.834 -11.785 -1.076 1.00 0.00 C ATOM 432 CG PRO A 31 7.750 -10.794 -2.185 1.00 0.00 C ATOM 433 CD PRO A 31 8.576 -9.615 -1.749 1.00 0.00 C ATOM 0 HA PRO A 31 9.292 -11.776 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.691 -12.802 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.064 -11.605 -0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.132 -11.216 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.717 -10.500 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.057 -9.126 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.968 -8.861 -1.249 1.00 0.00 H new ATOM 441 N GLU A 32 10.168 -13.832 -0.633 1.00 0.00 N ATOM 442 CA GLU A 32 11.048 -14.877 -1.141 1.00 0.00 C ATOM 443 C GLU A 32 10.249 -15.955 -1.869 1.00 0.00 C ATOM 444 O GLU A 32 10.811 -16.771 -2.599 1.00 0.00 O ATOM 445 CB GLU A 32 11.846 -15.505 0.004 1.00 0.00 C ATOM 446 CG GLU A 32 10.990 -16.287 0.985 1.00 0.00 C ATOM 447 CD GLU A 32 11.583 -16.319 2.381 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.144 -15.289 2.811 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.487 -17.374 3.042 1.00 0.00 O ATOM 0 H GLU A 32 9.534 -14.137 0.105 1.00 0.00 H new ATOM 0 HA GLU A 32 11.740 -14.421 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.603 -16.168 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.374 -14.718 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.995 -15.844 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.869 -17.308 0.622 1.00 0.00 H new ATOM 456 N GLN A 33 8.936 -15.950 -1.663 1.00 0.00 N ATOM 457 CA GLN A 33 8.060 -16.928 -2.298 1.00 0.00 C ATOM 458 C GLN A 33 7.045 -16.241 -3.205 1.00 0.00 C ATOM 459 O GLN A 33 5.836 -16.448 -3.093 1.00 0.00 O ATOM 460 CB GLN A 33 7.335 -17.759 -1.238 1.00 0.00 C ATOM 461 CG GLN A 33 8.143 -18.947 -0.739 1.00 0.00 C ATOM 462 CD GLN A 33 7.451 -19.691 0.386 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.244 -19.147 1.471 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.090 -20.944 0.133 1.00 0.00 N ATOM 0 H GLN A 33 8.456 -15.280 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 33 8.676 -17.589 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.087 -17.118 -0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.393 -18.119 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.323 -19.633 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.117 -18.600 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.281 -21.355 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.621 -21.495 0.852 1.00 0.00 H new ATOM 473 N PRO A 34 7.544 -15.402 -4.125 1.00 0.00 N ATOM 474 CA PRO A 34 6.697 -14.667 -5.069 1.00 0.00 C ATOM 475 C PRO A 34 6.058 -15.583 -6.108 1.00 0.00 C ATOM 476 O PRO A 34 5.344 -15.123 -6.998 1.00 0.00 O ATOM 477 CB PRO A 34 7.672 -13.697 -5.739 1.00 0.00 C ATOM 478 CG PRO A 34 9.004 -14.351 -5.614 1.00 0.00 C ATOM 479 CD PRO A 34 8.974 -15.107 -4.314 1.00 0.00 C ATOM 0 HA PRO A 34 5.861 -14.176 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.409 -13.531 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.661 -12.724 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.189 -15.023 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.804 -13.611 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.569 -16.019 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.374 -14.511 -3.493 1.00 0.00 H new ATOM 487 N ASN A 35 6.319 -16.880 -5.987 1.00 0.00 N ATOM 488 CA ASN A 35 5.768 -17.860 -6.916 1.00 0.00 C ATOM 489 C ASN A 35 6.041 -17.453 -8.361 1.00 0.00 C ATOM 490 O ASN A 35 5.259 -17.756 -9.261 1.00 0.00 O ATOM 491 CB ASN A 35 4.263 -18.015 -6.694 1.00 0.00 C ATOM 492 CG ASN A 35 3.941 -18.753 -5.409 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.283 -19.794 -5.426 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.405 -18.217 -4.287 1.00 0.00 N ATOM 0 H ASN A 35 6.908 -17.277 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 35 6.256 -18.816 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.799 -17.029 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.828 -18.552 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.221 -18.669 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.946 -17.353 -4.320 1.00 0.00 H new ATOM 501 N GLY A 36 7.158 -16.763 -8.575 1.00 0.00 N ATOM 502 CA GLY A 36 7.515 -16.325 -9.912 1.00 0.00 C ATOM 503 C GLY A 36 8.220 -14.983 -9.914 1.00 0.00 C ATOM 504 O GLY A 36 8.957 -14.661 -8.982 1.00 0.00 O ATOM 0 H GLY A 36 7.822 -16.500 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.160 -17.071 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.614 -16.260 -10.522 1.00 0.00 H new ATOM 508 N ILE A 37 7.996 -14.201 -10.964 1.00 0.00 N ATOM 509 CA ILE A 37 8.616 -12.887 -11.083 1.00 0.00 C ATOM 510 C ILE A 37 7.619 -11.778 -10.764 1.00 0.00 C ATOM 511 O ILE A 37 6.675 -11.542 -11.519 1.00 0.00 O ATOM 512 CB ILE A 37 9.186 -12.659 -12.495 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.194 -13.756 -12.845 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.834 -11.286 -12.590 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.303 -14.026 -14.329 1.00 0.00 C ATOM 0 H ILE A 37 7.390 -14.454 -11.744 1.00 0.00 H new ATOM 0 HA ILE A 37 9.433 -12.857 -10.362 1.00 0.00 H new ATOM 0 HB ILE A 37 8.367 -12.702 -13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.175 -13.472 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.908 -14.677 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.232 -11.140 -13.594 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.090 -10.517 -12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.645 -11.215 -11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.035 -14.814 -14.503 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.333 -14.341 -14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.619 -13.118 -14.842 1.00 0.00 H new ATOM 527 N ILE A 38 7.837 -11.098 -9.643 1.00 0.00 N ATOM 528 CA ILE A 38 6.960 -10.012 -9.226 1.00 0.00 C ATOM 529 C ILE A 38 6.976 -8.872 -10.240 1.00 0.00 C ATOM 530 O ILE A 38 7.971 -8.157 -10.370 1.00 0.00 O ATOM 531 CB ILE A 38 7.362 -9.461 -7.845 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.292 -10.567 -6.791 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.466 -8.295 -7.458 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.794 -10.138 -5.430 1.00 0.00 C ATOM 0 H ILE A 38 8.614 -11.281 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 38 5.954 -10.426 -9.164 1.00 0.00 H new ATOM 0 HB ILE A 38 8.389 -9.101 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.260 -10.905 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.877 -11.421 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.763 -7.917 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.562 -7.501 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.430 -8.630 -7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.715 -10.973 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.836 -9.828 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.193 -9.304 -5.067 1.00 0.00 H new ATOM 546 N LEU A 39 5.869 -8.708 -10.955 1.00 0.00 N ATOM 547 CA LEU A 39 5.754 -7.654 -11.956 1.00 0.00 C ATOM 548 C LEU A 39 5.757 -6.277 -11.300 1.00 0.00 C ATOM 549 O LEU A 39 6.659 -5.471 -11.529 1.00 0.00 O ATOM 550 CB LEU A 39 4.476 -7.838 -12.776 1.00 0.00 C ATOM 551 CG LEU A 39 4.214 -9.249 -13.302 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.729 -9.459 -13.553 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.012 -9.501 -14.574 1.00 0.00 C ATOM 0 H LEU A 39 5.038 -9.292 -10.860 1.00 0.00 H new ATOM 0 HA LEU A 39 6.616 -7.722 -12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.627 -7.538 -12.161 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.512 -7.156 -13.625 1.00 0.00 H new ATOM 0 HG LEU A 39 4.538 -9.963 -12.545 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.563 -10.469 -13.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.180 -9.322 -12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.379 -8.737 -14.290 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.813 -10.510 -14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.719 -8.779 -15.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.076 -9.394 -14.363 1.00 0.00 H new ATOM 565 N ASP A 40 4.743 -6.014 -10.483 1.00 0.00 N ATOM 566 CA ASP A 40 4.630 -4.736 -9.790 1.00 0.00 C ATOM 567 C ASP A 40 4.010 -4.919 -8.409 1.00 0.00 C ATOM 568 O ASP A 40 3.628 -6.027 -8.031 1.00 0.00 O ATOM 569 CB ASP A 40 3.791 -3.758 -10.614 1.00 0.00 C ATOM 570 CG ASP A 40 4.063 -3.872 -12.101 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.222 -3.652 -12.512 1.00 0.00 O ATOM 572 OD2 ASP A 40 3.117 -4.183 -12.855 1.00 0.00 O ATOM 0 H ASP A 40 3.987 -6.669 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 40 5.633 -4.328 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.733 -3.943 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.000 -2.739 -10.286 1.00 0.00 H new ATOM 577 N TYR A 41 3.914 -3.827 -7.660 1.00 0.00 N ATOM 578 CA TYR A 41 3.343 -3.867 -6.319 1.00 0.00 C ATOM 579 C TYR A 41 2.148 -2.926 -6.206 1.00 0.00 C ATOM 580 O TYR A 41 2.266 -1.725 -6.447 1.00 0.00 O ATOM 581 CB TYR A 41 4.401 -3.493 -5.280 1.00 0.00 C ATOM 582 CG TYR A 41 5.579 -4.440 -5.246 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.645 -4.285 -6.122 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.624 -5.491 -4.338 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.723 -5.149 -6.096 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.699 -6.359 -4.303 1.00 0.00 C ATOM 587 CZ TYR A 41 7.745 -6.184 -5.184 1.00 0.00 C ATOM 588 OH TYR A 41 8.817 -7.047 -5.153 1.00 0.00 O ATOM 0 H TYR A 41 4.224 -2.902 -7.959 1.00 0.00 H new ATOM 0 HA TYR A 41 3.000 -4.884 -6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.762 -2.486 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.937 -3.469 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.631 -3.475 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.805 -5.632 -3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.543 -5.015 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.720 -7.170 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 41 9.560 -6.628 -4.671 1.00 0.00 H new ATOM 598 N GLU A 42 0.997 -3.481 -5.839 1.00 0.00 N ATOM 599 CA GLU A 42 -0.220 -2.691 -5.695 1.00 0.00 C ATOM 600 C GLU A 42 -0.380 -2.195 -4.260 1.00 0.00 C ATOM 601 O GLU A 42 -0.007 -2.883 -3.310 1.00 0.00 O ATOM 602 CB GLU A 42 -1.442 -3.518 -6.099 1.00 0.00 C ATOM 603 CG GLU A 42 -2.681 -2.681 -6.369 1.00 0.00 C ATOM 604 CD GLU A 42 -2.767 -2.215 -7.810 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.762 -2.349 -8.539 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.840 -1.715 -8.207 1.00 0.00 O ATOM 0 H GLU A 42 0.882 -4.474 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.141 -1.826 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.201 -4.094 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.663 -4.234 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.569 -3.264 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.679 -1.813 -5.710 1.00 0.00 H new ATOM 613 N ILE A 43 -0.937 -0.998 -4.113 1.00 0.00 N ATOM 614 CA ILE A 43 -1.147 -0.410 -2.796 1.00 0.00 C ATOM 615 C ILE A 43 -2.576 0.097 -2.642 1.00 0.00 C ATOM 616 O ILE A 43 -3.033 0.942 -3.413 1.00 0.00 O ATOM 617 CB ILE A 43 -0.171 0.753 -2.537 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.260 0.227 -2.402 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.579 1.518 -1.287 1.00 0.00 C ATOM 620 CD1 ILE A 43 1.994 0.127 -3.721 1.00 0.00 C ATOM 0 H ILE A 43 -1.251 -0.416 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.963 -1.198 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.209 1.435 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.818 0.883 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.234 -0.757 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.120 2.337 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.584 1.920 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.566 0.846 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.001 -0.253 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.459 -0.552 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.052 1.114 -4.181 1.00 0.00 H new ATOM 632 N ARG A 44 -3.278 -0.423 -1.641 1.00 0.00 N ATOM 633 CA ARG A 44 -4.656 -0.023 -1.384 1.00 0.00 C ATOM 634 C ARG A 44 -4.774 0.694 -0.042 1.00 0.00 C ATOM 635 O ARG A 44 -4.458 0.128 1.005 1.00 0.00 O ATOM 636 CB ARG A 44 -5.577 -1.244 -1.405 1.00 0.00 C ATOM 637 CG ARG A 44 -7.041 -0.908 -1.174 1.00 0.00 C ATOM 638 CD ARG A 44 -7.884 -2.164 -1.018 1.00 0.00 C ATOM 639 NE ARG A 44 -8.272 -2.726 -2.309 1.00 0.00 N ATOM 640 CZ ARG A 44 -9.229 -2.214 -3.075 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.891 -1.135 -2.683 1.00 0.00 N ATOM 642 NH2 ARG A 44 -9.526 -2.783 -4.237 1.00 0.00 N ATOM 0 H ARG A 44 -2.915 -1.123 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.960 0.666 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.476 -1.748 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.250 -1.948 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.137 -0.291 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.416 -0.318 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.324 -2.908 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.779 -1.931 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.782 -3.557 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.666 -0.695 -1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.625 -0.745 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.019 -3.614 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.261 -2.389 -4.825 1.00 0.00 H new ATOM 656 N TYR A 45 -5.230 1.941 -0.081 1.00 0.00 N ATOM 657 CA TYR A 45 -5.386 2.735 1.131 1.00 0.00 C ATOM 658 C TYR A 45 -6.738 3.443 1.148 1.00 0.00 C ATOM 659 O TYR A 45 -7.234 3.883 0.111 1.00 0.00 O ATOM 660 CB TYR A 45 -4.259 3.763 1.241 1.00 0.00 C ATOM 661 CG TYR A 45 -4.224 4.749 0.095 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.739 4.375 -1.153 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.673 6.053 0.259 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.704 5.272 -2.203 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.644 6.956 -0.786 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.158 6.561 -2.015 1.00 0.00 C ATOM 667 OH TYR A 45 -4.125 7.458 -3.058 1.00 0.00 O ATOM 0 H TYR A 45 -5.498 2.423 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.338 2.060 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.368 4.311 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.304 3.239 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.384 3.366 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.052 6.367 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.323 4.966 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.000 7.965 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.481 8.321 -2.759 1.00 0.00 H new ATOM 677 N TYR A 46 -7.328 3.548 2.333 1.00 0.00 N ATOM 678 CA TYR A 46 -8.623 4.200 2.487 1.00 0.00 C ATOM 679 C TYR A 46 -8.729 4.888 3.845 1.00 0.00 C ATOM 680 O TYR A 46 -8.085 4.481 4.811 1.00 0.00 O ATOM 681 CB TYR A 46 -9.753 3.180 2.331 1.00 0.00 C ATOM 682 CG TYR A 46 -9.692 2.051 3.334 1.00 0.00 C ATOM 683 CD1 TYR A 46 -10.187 2.212 4.623 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.141 0.822 2.994 1.00 0.00 C ATOM 685 CE1 TYR A 46 -10.133 1.183 5.543 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.084 -0.213 3.907 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.581 -0.028 5.180 1.00 0.00 C ATOM 688 OH TYR A 46 -9.526 -1.055 6.094 1.00 0.00 O ATOM 0 H TYR A 46 -6.930 3.190 3.201 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.715 4.957 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.710 3.692 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.718 2.763 1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.621 3.158 4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.750 0.673 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.521 1.326 6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.652 -1.162 3.625 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.288 -1.656 5.957 1.00 0.00 H new ATOM 698 N GLU A 47 -9.547 5.934 3.908 1.00 0.00 N ATOM 699 CA GLU A 47 -9.737 6.680 5.147 1.00 0.00 C ATOM 700 C GLU A 47 -10.273 5.773 6.251 1.00 0.00 C ATOM 701 O GLU A 47 -11.200 4.992 6.034 1.00 0.00 O ATOM 702 CB GLU A 47 -10.697 7.850 4.922 1.00 0.00 C ATOM 703 CG GLU A 47 -10.003 9.133 4.495 1.00 0.00 C ATOM 704 CD GLU A 47 -10.868 10.361 4.703 1.00 0.00 C ATOM 705 OE1 GLU A 47 -12.074 10.195 4.984 1.00 0.00 O ATOM 706 OE2 GLU A 47 -10.340 11.486 4.585 1.00 0.00 O ATOM 0 H GLU A 47 -10.088 6.284 3.117 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.768 7.070 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.425 7.570 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.252 8.036 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.077 9.246 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.729 9.060 3.443 1.00 0.00 H new ATOM 713 N LYS A 48 -9.683 5.882 7.437 1.00 0.00 N ATOM 714 CA LYS A 48 -10.100 5.074 8.576 1.00 0.00 C ATOM 715 C LYS A 48 -11.618 5.092 8.730 1.00 0.00 C ATOM 716 O LYS A 48 -12.196 4.212 9.367 1.00 0.00 O ATOM 717 CB LYS A 48 -9.442 5.586 9.859 1.00 0.00 C ATOM 718 CG LYS A 48 -9.421 4.563 10.982 1.00 0.00 C ATOM 719 CD LYS A 48 -8.328 4.868 11.993 1.00 0.00 C ATOM 720 CE LYS A 48 -8.525 4.081 13.280 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.998 2.693 13.168 1.00 0.00 N ATOM 0 H LYS A 48 -8.914 6.523 7.634 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.782 4.047 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.419 5.890 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.972 6.476 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.389 4.552 11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.266 3.568 10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.356 4.627 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.323 5.935 12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.023 4.595 14.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.586 4.048 13.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.151 2.190 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.494 2.194 12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.980 2.724 12.958 1.00 0.00 H new ATOM 735 N GLU A 49 -12.256 6.098 8.140 1.00 0.00 N ATOM 736 CA GLU A 49 -13.707 6.228 8.212 1.00 0.00 C ATOM 737 C GLU A 49 -14.365 5.690 6.945 1.00 0.00 C ATOM 738 O GLU A 49 -15.519 5.260 6.965 1.00 0.00 O ATOM 739 CB GLU A 49 -14.100 7.692 8.422 1.00 0.00 C ATOM 740 CG GLU A 49 -13.865 8.188 9.838 1.00 0.00 C ATOM 741 CD GLU A 49 -14.465 9.559 10.083 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.585 10.335 9.112 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.814 9.856 11.245 1.00 0.00 O ATOM 0 H GLU A 49 -11.792 6.834 7.608 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.057 5.640 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.533 8.314 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.154 7.816 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.293 7.477 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.793 8.224 10.033 1.00 0.00 H new ATOM 750 N HIS A 50 -13.623 5.717 5.842 1.00 0.00 N ATOM 751 CA HIS A 50 -14.133 5.232 4.565 1.00 0.00 C ATOM 752 C HIS A 50 -14.095 3.708 4.508 1.00 0.00 C ATOM 753 O HIS A 50 -13.610 3.055 5.431 1.00 0.00 O ATOM 754 CB HIS A 50 -13.319 5.818 3.411 1.00 0.00 C ATOM 755 CG HIS A 50 -13.712 7.218 3.051 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.298 7.841 1.892 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.487 8.115 3.703 1.00 0.00 C ATOM 758 CE1 HIS A 50 -13.800 9.062 1.849 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.526 9.253 2.935 1.00 0.00 N ATOM 0 H HIS A 50 -12.667 6.070 5.807 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.169 5.555 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.262 5.803 3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.435 5.180 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.983 7.964 4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.643 9.782 1.059 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.033 10.107 3.166 1.00 0.00 H new ATOM 768 N ASN A 51 -14.610 3.148 3.418 1.00 0.00 N ATOM 769 CA ASN A 51 -14.635 1.701 3.241 1.00 0.00 C ATOM 770 C ASN A 51 -13.739 1.279 2.081 1.00 0.00 C ATOM 771 O ASN A 51 -13.143 2.118 1.407 1.00 0.00 O ATOM 772 CB ASN A 51 -16.067 1.222 2.994 1.00 0.00 C ATOM 773 CG ASN A 51 -16.229 -0.267 3.236 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.789 -0.792 4.259 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.861 -0.954 2.292 1.00 0.00 N ATOM 0 H ASN A 51 -15.016 3.675 2.644 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.257 1.242 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.748 1.769 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.353 1.454 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.999 -1.959 2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.209 -0.477 1.460 1.00 0.00 H new ATOM 782 N GLU A 52 -13.649 -0.028 1.855 1.00 0.00 N ATOM 783 CA GLU A 52 -12.825 -0.562 0.777 1.00 0.00 C ATOM 784 C GLU A 52 -13.303 -0.049 -0.578 1.00 0.00 C ATOM 785 O GLU A 52 -12.512 0.115 -1.507 1.00 0.00 O ATOM 786 CB GLU A 52 -12.851 -2.092 0.794 1.00 0.00 C ATOM 787 CG GLU A 52 -12.440 -2.693 2.128 1.00 0.00 C ATOM 788 CD GLU A 52 -13.068 -4.050 2.374 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.554 -4.664 1.401 1.00 0.00 O ATOM 790 OE2 GLU A 52 -13.074 -4.500 3.539 1.00 0.00 O ATOM 0 H GLU A 52 -14.136 -0.736 2.404 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.801 -0.222 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.856 -2.433 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.186 -2.467 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.355 -2.788 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.725 -2.014 2.932 1.00 0.00 H new ATOM 797 N PHE A 53 -14.604 0.202 -0.683 1.00 0.00 N ATOM 798 CA PHE A 53 -15.190 0.695 -1.924 1.00 0.00 C ATOM 799 C PHE A 53 -14.618 2.061 -2.291 1.00 0.00 C ATOM 800 O PHE A 53 -13.978 2.220 -3.329 1.00 0.00 O ATOM 801 CB PHE A 53 -16.712 0.785 -1.795 1.00 0.00 C ATOM 802 CG PHE A 53 -17.384 1.361 -3.008 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.562 0.593 -4.148 1.00 0.00 C ATOM 804 CD2 PHE A 53 -17.838 2.670 -3.009 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.179 1.122 -5.266 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.456 3.204 -4.124 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.628 2.428 -5.254 1.00 0.00 C ATOM 0 H PHE A 53 -15.272 0.072 0.076 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.941 -0.009 -2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.112 -0.211 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.959 1.397 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.215 -0.430 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.707 3.281 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.310 0.514 -6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.804 4.226 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.113 2.842 -6.126 1.00 0.00 H new ATOM 817 N ASN A 54 -14.854 3.046 -1.430 1.00 0.00 N ATOM 818 CA ASN A 54 -14.364 4.399 -1.662 1.00 0.00 C ATOM 819 C ASN A 54 -12.899 4.525 -1.256 1.00 0.00 C ATOM 820 O ASN A 54 -12.526 5.434 -0.514 1.00 0.00 O ATOM 821 CB ASN A 54 -15.209 5.411 -0.885 1.00 0.00 C ATOM 822 CG ASN A 54 -15.281 6.758 -1.578 1.00 0.00 C ATOM 823 OD1 ASN A 54 -14.914 7.784 -1.004 1.00 0.00 O ATOM 824 ND2 ASN A 54 -15.756 6.761 -2.818 1.00 0.00 N ATOM 0 H ASN A 54 -15.382 2.932 -0.565 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.446 4.610 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.217 5.017 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.789 5.541 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.828 7.638 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.048 5.887 -3.254 1.00 0.00 H new ATOM 831 N SER A 55 -12.074 3.606 -1.747 1.00 0.00 N ATOM 832 CA SER A 55 -10.650 3.612 -1.433 1.00 0.00 C ATOM 833 C SER A 55 -9.830 4.071 -2.635 1.00 0.00 C ATOM 834 O SER A 55 -10.379 4.389 -3.690 1.00 0.00 O ATOM 835 CB SER A 55 -10.197 2.218 -0.995 1.00 0.00 C ATOM 836 OG SER A 55 -11.097 1.662 -0.052 1.00 0.00 O ATOM 0 H SER A 55 -12.367 2.848 -2.364 1.00 0.00 H new ATOM 0 HA SER A 55 -10.487 4.313 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.127 1.565 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.199 2.276 -0.560 1.00 0.00 H new ATOM 0 HG SER A 55 -11.654 2.373 0.328 1.00 0.00 H new ATOM 842 N SER A 56 -8.512 4.102 -2.467 1.00 0.00 N ATOM 843 CA SER A 56 -7.615 4.525 -3.536 1.00 0.00 C ATOM 844 C SER A 56 -6.505 3.501 -3.752 1.00 0.00 C ATOM 845 O SER A 56 -5.952 2.959 -2.796 1.00 0.00 O ATOM 846 CB SER A 56 -7.007 5.891 -3.210 1.00 0.00 C ATOM 847 OG SER A 56 -8.010 6.889 -3.131 1.00 0.00 O ATOM 0 H SER A 56 -8.042 3.839 -1.601 1.00 0.00 H new ATOM 0 HA SER A 56 -8.197 4.603 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.468 5.837 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.280 6.161 -3.976 1.00 0.00 H new ATOM 0 HG SER A 56 -7.597 7.752 -2.920 1.00 0.00 H new ATOM 853 N MET A 57 -6.186 3.241 -5.016 1.00 0.00 N ATOM 854 CA MET A 57 -5.142 2.282 -5.358 1.00 0.00 C ATOM 855 C MET A 57 -3.930 2.989 -5.958 1.00 0.00 C ATOM 856 O MET A 57 -4.038 4.107 -6.460 1.00 0.00 O ATOM 857 CB MET A 57 -5.678 1.241 -6.343 1.00 0.00 C ATOM 858 CG MET A 57 -6.359 0.061 -5.668 1.00 0.00 C ATOM 859 SD MET A 57 -5.215 -1.284 -5.301 1.00 0.00 S ATOM 860 CE MET A 57 -6.352 -2.656 -5.121 1.00 0.00 C ATOM 0 H MET A 57 -6.635 3.681 -5.819 1.00 0.00 H new ATOM 0 HA MET A 57 -4.832 1.779 -4.442 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.386 1.722 -7.018 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.854 0.873 -6.955 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.827 0.397 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.156 -0.311 -6.312 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.326 -3.017 -4.093 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.362 -2.326 -5.364 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.061 -3.461 -5.796 1.00 0.00 H new ATOM 870 N ALA A 58 -2.777 2.330 -5.900 1.00 0.00 N ATOM 871 CA ALA A 58 -1.547 2.895 -6.439 1.00 0.00 C ATOM 872 C ALA A 58 -0.562 1.797 -6.827 1.00 0.00 C ATOM 873 O ALA A 58 -0.288 0.890 -6.041 1.00 0.00 O ATOM 874 CB ALA A 58 -0.914 3.841 -5.429 1.00 0.00 C ATOM 0 H ALA A 58 -2.670 1.404 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.798 3.456 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.004 4.256 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.608 4.650 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.684 3.295 -4.514 1.00 0.00 H new ATOM 880 N ARG A 59 -0.035 1.884 -8.044 1.00 0.00 N ATOM 881 CA ARG A 59 0.918 0.897 -8.537 1.00 0.00 C ATOM 882 C ARG A 59 2.348 1.417 -8.423 1.00 0.00 C ATOM 883 O ARG A 59 2.615 2.590 -8.682 1.00 0.00 O ATOM 884 CB ARG A 59 0.607 0.539 -9.991 1.00 0.00 C ATOM 885 CG ARG A 59 -0.573 -0.406 -10.148 1.00 0.00 C ATOM 886 CD ARG A 59 -1.248 -0.235 -11.500 1.00 0.00 C ATOM 887 NE ARG A 59 -2.210 -1.299 -11.770 1.00 0.00 N ATOM 888 CZ ARG A 59 -3.089 -1.260 -12.765 1.00 0.00 C ATOM 889 NH1 ARG A 59 -3.127 -0.215 -13.580 1.00 0.00 N ATOM 890 NH2 ARG A 59 -3.933 -2.268 -12.946 1.00 0.00 N ATOM 0 H ARG A 59 -0.252 2.628 -8.707 1.00 0.00 H new ATOM 0 HA ARG A 59 0.826 0.001 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.404 1.455 -10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.489 0.083 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.233 -1.436 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.296 -0.222 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.755 0.729 -11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.491 -0.223 -12.284 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.207 -2.117 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.480 0.562 -13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.803 -0.188 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.907 -3.073 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.608 -2.237 -13.710 1.00 0.00 H new ATOM 904 N SER A 60 3.263 0.535 -8.034 1.00 0.00 N ATOM 905 CA SER A 60 4.665 0.906 -7.882 1.00 0.00 C ATOM 906 C SER A 60 5.577 -0.165 -8.472 1.00 0.00 C ATOM 907 O SER A 60 5.343 -1.360 -8.296 1.00 0.00 O ATOM 908 CB SER A 60 5.001 1.120 -6.404 1.00 0.00 C ATOM 909 OG SER A 60 6.137 1.952 -6.255 1.00 0.00 O ATOM 0 H SER A 60 3.059 -0.441 -7.818 1.00 0.00 H new ATOM 0 HA SER A 60 4.829 1.838 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.148 1.569 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.186 0.158 -5.927 1.00 0.00 H new ATOM 0 HG SER A 60 6.470 1.889 -5.336 1.00 0.00 H new ATOM 915 N GLN A 61 6.618 0.274 -9.173 1.00 0.00 N ATOM 916 CA GLN A 61 7.565 -0.647 -9.791 1.00 0.00 C ATOM 917 C GLN A 61 8.632 -1.082 -8.791 1.00 0.00 C ATOM 918 O GLN A 61 9.483 -1.917 -9.099 1.00 0.00 O ATOM 919 CB GLN A 61 8.225 0.006 -11.007 1.00 0.00 C ATOM 920 CG GLN A 61 7.312 0.097 -12.219 1.00 0.00 C ATOM 921 CD GLN A 61 8.076 0.081 -13.528 1.00 0.00 C ATOM 922 OE1 GLN A 61 9.281 -0.171 -13.553 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.378 0.349 -14.625 1.00 0.00 N ATOM 0 H GLN A 61 6.827 1.260 -9.327 1.00 0.00 H new ATOM 0 HA GLN A 61 7.015 -1.530 -10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.556 1.008 -10.736 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.116 -0.562 -11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.609 -0.736 -12.203 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.723 1.012 -12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.381 0.552 -14.558 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.839 0.351 -15.535 1.00 0.00 H new ATOM 932 N THR A 62 8.581 -0.510 -7.592 1.00 0.00 N ATOM 933 CA THR A 62 9.543 -0.837 -6.548 1.00 0.00 C ATOM 934 C THR A 62 8.838 -1.222 -5.252 1.00 0.00 C ATOM 935 O THR A 62 7.612 -1.170 -5.162 1.00 0.00 O ATOM 936 CB THR A 62 10.494 0.342 -6.270 1.00 0.00 C ATOM 937 OG1 THR A 62 11.257 0.088 -5.086 1.00 0.00 O ATOM 938 CG2 THR A 62 9.715 1.639 -6.109 1.00 0.00 C ATOM 0 H THR A 62 7.883 0.182 -7.320 1.00 0.00 H new ATOM 0 HA THR A 62 10.124 -1.685 -6.909 1.00 0.00 H new ATOM 0 HB THR A 62 11.168 0.444 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.920 -0.610 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.408 2.458 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.159 1.845 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.020 1.545 -5.275 1.00 0.00 H new ATOM 946 N ASN A 63 9.621 -1.608 -4.250 1.00 0.00 N ATOM 947 CA ASN A 63 9.071 -2.002 -2.958 1.00 0.00 C ATOM 948 C ASN A 63 8.826 -0.781 -2.076 1.00 0.00 C ATOM 949 O ASN A 63 8.794 -0.883 -0.849 1.00 0.00 O ATOM 950 CB ASN A 63 10.019 -2.973 -2.251 1.00 0.00 C ATOM 951 CG ASN A 63 9.723 -4.421 -2.592 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.980 -4.873 -3.708 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.179 -5.156 -1.629 1.00 0.00 N ATOM 0 H ASN A 63 10.638 -1.656 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 63 8.117 -2.499 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.047 -2.740 -2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.941 -2.833 -1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.957 -6.137 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.983 -4.740 -0.719 1.00 0.00 H new ATOM 960 N THR A 64 8.651 0.374 -2.710 1.00 0.00 N ATOM 961 CA THR A 64 8.409 1.615 -1.984 1.00 0.00 C ATOM 962 C THR A 64 7.498 2.546 -2.776 1.00 0.00 C ATOM 963 O THR A 64 7.750 2.828 -3.947 1.00 0.00 O ATOM 964 CB THR A 64 9.727 2.349 -1.671 1.00 0.00 C ATOM 965 OG1 THR A 64 9.449 3.644 -1.127 1.00 0.00 O ATOM 966 CG2 THR A 64 10.578 2.491 -2.923 1.00 0.00 C ATOM 0 H THR A 64 8.672 0.476 -3.725 1.00 0.00 H new ATOM 0 HA THR A 64 7.922 1.344 -1.048 1.00 0.00 H new ATOM 0 HB THR A 64 10.281 1.760 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.917 3.548 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.503 3.012 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.812 1.502 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.029 3.060 -3.673 1.00 0.00 H new ATOM 974 N ALA A 65 6.439 3.021 -2.129 1.00 0.00 N ATOM 975 CA ALA A 65 5.492 3.923 -2.773 1.00 0.00 C ATOM 976 C ALA A 65 4.934 4.934 -1.778 1.00 0.00 C ATOM 977 O ALA A 65 4.466 4.566 -0.700 1.00 0.00 O ATOM 978 CB ALA A 65 4.362 3.132 -3.415 1.00 0.00 C ATOM 0 H ALA A 65 6.215 2.796 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 65 6.023 4.473 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.663 3.819 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.772 2.454 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.841 2.556 -2.650 1.00 0.00 H new ATOM 984 N ARG A 66 4.986 6.210 -2.145 1.00 0.00 N ATOM 985 CA ARG A 66 4.487 7.275 -1.283 1.00 0.00 C ATOM 986 C ARG A 66 3.094 7.719 -1.718 1.00 0.00 C ATOM 987 O ARG A 66 2.840 7.922 -2.906 1.00 0.00 O ATOM 988 CB ARG A 66 5.444 8.468 -1.304 1.00 0.00 C ATOM 989 CG ARG A 66 5.030 9.598 -0.375 1.00 0.00 C ATOM 990 CD ARG A 66 5.627 10.926 -0.813 1.00 0.00 C ATOM 991 NE ARG A 66 6.946 11.153 -0.229 1.00 0.00 N ATOM 992 CZ ARG A 66 8.072 10.684 -0.754 1.00 0.00 C ATOM 993 NH1 ARG A 66 8.040 9.968 -1.869 1.00 0.00 N ATOM 994 NH2 ARG A 66 9.234 10.932 -0.163 1.00 0.00 N ATOM 0 H ARG A 66 5.369 6.532 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 66 4.425 6.886 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.441 8.128 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.510 8.852 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.943 9.675 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.351 9.371 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.703 10.948 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.958 11.737 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 66 7.006 11.702 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.149 9.776 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.907 9.609 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.263 11.483 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.099 10.572 -0.567 1.00 0.00 H new ATOM 1008 N ILE A 67 2.196 7.868 -0.750 1.00 0.00 N ATOM 1009 CA ILE A 67 0.830 8.288 -1.034 1.00 0.00 C ATOM 1010 C ILE A 67 0.687 9.803 -0.924 1.00 0.00 C ATOM 1011 O ILE A 67 0.979 10.390 0.117 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.175 7.619 -0.079 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.267 6.189 0.242 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.569 7.623 -0.688 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.119 5.235 -0.923 1.00 0.00 C ATOM 0 H ILE A 67 2.390 7.704 0.238 1.00 0.00 H new ATOM 0 HA ILE A 67 0.610 7.977 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.204 8.188 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.309 6.202 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.318 5.817 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.268 7.146 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.883 8.651 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.556 7.075 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.451 4.241 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.927 5.192 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.726 5.584 -1.758 1.00 0.00 H new ATOM 1027 N ASP A 68 0.234 10.428 -2.005 1.00 0.00 N ATOM 1028 CA ASP A 68 0.048 11.874 -2.030 1.00 0.00 C ATOM 1029 C ASP A 68 -1.419 12.231 -2.245 1.00 0.00 C ATOM 1030 O ASP A 68 -2.099 11.629 -3.076 1.00 0.00 O ATOM 1031 CB ASP A 68 0.905 12.501 -3.131 1.00 0.00 C ATOM 1032 CG ASP A 68 0.321 12.284 -4.513 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.134 11.156 -4.794 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.319 13.242 -5.314 1.00 0.00 O ATOM 0 H ASP A 68 -0.011 9.956 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 68 0.362 12.272 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.004 13.570 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.908 12.076 -3.093 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.902 13.213 -1.490 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.286 13.631 -1.613 1.00 0.00 C ATOM 1041 C GLY A 69 -4.118 13.245 -0.406 1.00 0.00 C ATOM 1042 O GLY A 69 -5.234 12.742 -0.546 1.00 0.00 O ATOM 0 H GLY A 69 -1.359 13.726 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.325 14.712 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.719 13.183 -2.507 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.575 13.478 0.784 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.273 13.149 2.022 1.00 0.00 C ATOM 1048 C LEU A 70 -4.434 14.385 2.901 1.00 0.00 C ATOM 1049 O LEU A 70 -3.860 15.437 2.620 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.516 12.061 2.785 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.878 10.963 1.932 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.739 10.295 2.687 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.922 9.936 1.519 1.00 0.00 C ATOM 0 H LEU A 70 -2.653 13.894 0.918 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.265 12.778 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.732 12.537 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.204 11.593 3.489 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.470 11.420 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.297 9.517 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.980 11.038 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.122 9.851 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.451 9.162 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.359 9.484 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.704 10.425 0.939 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.217 14.249 3.966 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.452 15.354 4.887 1.00 0.00 C ATOM 1067 C ARG A 71 -4.486 15.294 6.067 1.00 0.00 C ATOM 1068 O ARG A 71 -3.999 14.230 6.448 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.895 15.326 5.394 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.923 15.655 4.324 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.189 17.150 4.247 1.00 0.00 C ATOM 1072 NE ARG A 71 -9.031 17.499 3.106 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.752 18.612 3.038 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -9.734 19.480 4.040 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -10.494 18.859 1.966 1.00 0.00 N ATOM 0 H ARG A 71 -5.699 13.385 4.212 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.282 16.286 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.109 14.337 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.997 16.036 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.570 15.297 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.854 15.129 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.671 17.480 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.241 17.683 4.174 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.067 16.852 2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.165 19.294 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.289 20.334 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.511 18.194 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.047 19.714 1.915 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.202 16.463 6.660 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.293 16.570 7.805 1.00 0.00 C ATOM 1091 C PRO A 72 -3.882 15.958 9.072 1.00 0.00 C ATOM 1092 O PRO A 72 -5.048 16.179 9.395 1.00 0.00 O ATOM 1093 CB PRO A 72 -3.112 18.080 7.975 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.344 18.678 7.389 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.748 17.771 6.259 1.00 0.00 C ATOM 0 HA PRO A 72 -2.360 16.032 7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.002 18.350 9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.218 18.432 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.136 18.749 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.154 19.689 7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.831 17.735 6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.334 18.105 5.308 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.066 15.188 9.786 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.525 14.557 11.010 1.00 0.00 C ATOM 1105 C GLY A 73 -4.628 13.547 10.763 1.00 0.00 C ATOM 1106 O GLY A 73 -5.611 13.499 11.502 1.00 0.00 O ATOM 0 H GLY A 73 -2.096 14.990 9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.685 14.061 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.885 15.323 11.697 1.00 0.00 H new ATOM 1110 N MET A 74 -4.465 12.738 9.721 1.00 0.00 N ATOM 1111 CA MET A 74 -5.456 11.725 9.379 1.00 0.00 C ATOM 1112 C MET A 74 -4.799 10.359 9.204 1.00 0.00 C ATOM 1113 O MET A 74 -3.735 10.244 8.596 1.00 0.00 O ATOM 1114 CB MET A 74 -6.196 12.115 8.098 1.00 0.00 C ATOM 1115 CG MET A 74 -7.376 13.044 8.336 1.00 0.00 C ATOM 1116 SD MET A 74 -8.653 12.293 9.364 1.00 0.00 S ATOM 1117 CE MET A 74 -9.470 11.236 8.171 1.00 0.00 C ATOM 0 H MET A 74 -3.657 12.764 9.100 1.00 0.00 H new ATOM 0 HA MET A 74 -6.172 11.663 10.199 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.496 12.598 7.416 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.550 11.211 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.023 13.959 8.812 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.808 13.330 7.377 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.541 11.441 8.176 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.068 11.431 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.299 10.192 8.433 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.440 9.326 9.742 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.918 7.968 9.645 1.00 0.00 C ATOM 1129 C VAL A 75 -5.475 7.251 8.420 1.00 0.00 C ATOM 1130 O VAL A 75 -6.686 7.226 8.200 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.253 7.146 10.903 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.631 5.761 10.819 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.787 7.874 12.155 1.00 0.00 C ATOM 0 H VAL A 75 -6.321 9.404 10.249 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.835 8.052 9.553 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.335 7.028 10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.879 5.196 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.019 5.240 9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.548 5.853 10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.032 7.279 13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.709 8.025 12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.286 8.841 12.221 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.583 6.670 7.626 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.985 5.954 6.421 1.00 0.00 C ATOM 1145 C TYR A 76 -4.424 4.535 6.417 1.00 0.00 C ATOM 1146 O TYR A 76 -3.210 4.335 6.463 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.512 6.704 5.174 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.204 8.033 4.969 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.769 9.175 5.630 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.293 8.146 4.113 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.399 10.390 5.445 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.928 9.358 3.921 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.477 10.477 4.590 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.106 11.686 4.402 1.00 0.00 O ATOM 0 H TYR A 76 -3.577 6.681 7.795 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.073 5.895 6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.437 6.871 5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.679 6.078 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.924 9.112 6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.649 7.271 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.049 11.268 5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.772 9.429 3.251 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.075 11.567 4.483 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.317 3.552 6.362 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.913 2.151 6.351 1.00 0.00 C ATOM 1166 C VAL A 77 -4.289 1.770 5.013 1.00 0.00 C ATOM 1167 O VAL A 77 -4.992 1.429 4.062 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.108 1.220 6.631 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.648 -0.227 6.718 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.822 1.639 7.907 1.00 0.00 C ATOM 0 H VAL A 77 -6.325 3.700 6.324 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.173 2.028 7.142 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.813 1.303 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.505 -0.870 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.186 -0.519 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.923 -0.330 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.663 0.971 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.128 1.586 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.187 2.661 7.801 1.00 0.00 H new ATOM 1180 N VAL A 78 -2.962 1.831 4.947 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.242 1.490 3.726 1.00 0.00 C ATOM 1182 C VAL A 78 -1.814 0.027 3.730 1.00 0.00 C ATOM 1183 O VAL A 78 -1.435 -0.516 4.768 1.00 0.00 O ATOM 1184 CB VAL A 78 -0.995 2.377 3.545 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.315 2.077 2.218 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.371 3.848 3.640 1.00 0.00 C ATOM 0 H VAL A 78 -2.365 2.113 5.724 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.927 1.663 2.896 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.290 2.153 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.563 2.713 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.011 1.031 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.009 2.272 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.479 4.461 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.094 4.090 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.810 4.049 4.617 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.878 -0.605 2.563 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.497 -2.007 2.433 1.00 0.00 C ATOM 1198 C GLN A 79 -0.671 -2.231 1.171 1.00 0.00 C ATOM 1199 O GLN A 79 -0.541 -1.338 0.334 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.742 -2.895 2.406 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.783 -2.516 3.447 1.00 0.00 C ATOM 1202 CD GLN A 79 -5.194 -2.867 3.017 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.049 -1.992 2.877 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.445 -4.153 2.804 1.00 0.00 N ATOM 0 H GLN A 79 -2.190 -0.170 1.695 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.888 -2.274 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.195 -2.842 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.443 -3.931 2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.556 -3.024 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.723 -1.445 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.706 -4.845 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.376 -4.449 2.512 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.113 -3.431 1.040 1.00 0.00 N ATOM 1214 CA VAL A 80 0.701 -3.773 -0.120 1.00 0.00 C ATOM 1215 C VAL A 80 0.603 -5.260 -0.441 1.00 0.00 C ATOM 1216 O VAL A 80 0.531 -6.096 0.460 1.00 0.00 O ATOM 1217 CB VAL A 80 2.179 -3.403 0.102 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.789 -4.271 1.193 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.962 -3.536 -1.196 1.00 0.00 C ATOM 0 H VAL A 80 -0.210 -4.182 1.723 1.00 0.00 H new ATOM 0 HA VAL A 80 0.313 -3.197 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 80 2.231 -2.364 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.834 -3.995 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.243 -4.121 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.727 -5.319 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.005 -3.271 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.904 -4.565 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.539 -2.868 -1.946 1.00 0.00 H new ATOM 1229 N ARG A 81 0.600 -5.583 -1.730 1.00 0.00 N ATOM 1230 CA ARG A 81 0.510 -6.970 -2.170 1.00 0.00 C ATOM 1231 C ARG A 81 1.413 -7.218 -3.375 1.00 0.00 C ATOM 1232 O ARG A 81 1.894 -6.278 -4.006 1.00 0.00 O ATOM 1233 CB ARG A 81 -0.936 -7.323 -2.522 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.447 -6.625 -3.771 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.767 -7.216 -4.239 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.522 -6.281 -5.070 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.630 -6.609 -5.724 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.111 -7.842 -5.645 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.261 -5.702 -6.460 1.00 0.00 N ATOM 0 H ARG A 81 0.659 -4.903 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 81 0.843 -7.607 -1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.014 -8.401 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.579 -7.063 -1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.575 -5.562 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.706 -6.711 -4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.576 -8.129 -4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.366 -7.496 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.179 -5.324 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.630 -8.542 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.962 -8.091 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.895 -4.752 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.112 -5.955 -6.962 1.00 0.00 H new ATOM 1253 N ALA A 82 1.639 -8.490 -3.687 1.00 0.00 N ATOM 1254 CA ALA A 82 2.482 -8.861 -4.817 1.00 0.00 C ATOM 1255 C ALA A 82 1.649 -9.432 -5.959 1.00 0.00 C ATOM 1256 O ALA A 82 0.712 -10.199 -5.734 1.00 0.00 O ATOM 1257 CB ALA A 82 3.539 -9.865 -4.379 1.00 0.00 C ATOM 0 H ALA A 82 1.250 -9.281 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 82 2.979 -7.961 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.162 -10.134 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.161 -9.422 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.052 -10.759 -3.989 1.00 0.00 H new ATOM 1263 N ARG A 83 1.996 -9.054 -7.185 1.00 0.00 N ATOM 1264 CA ARG A 83 1.278 -9.527 -8.363 1.00 0.00 C ATOM 1265 C ARG A 83 2.236 -10.173 -9.360 1.00 0.00 C ATOM 1266 O ARG A 83 3.295 -9.623 -9.666 1.00 0.00 O ATOM 1267 CB ARG A 83 0.533 -8.370 -9.031 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.248 -8.783 -10.268 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.366 -7.637 -11.261 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.624 -8.112 -12.617 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.950 -7.313 -13.627 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -1.055 -6.005 -13.434 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.170 -7.820 -14.833 1.00 0.00 N ATOM 0 H ARG A 83 2.770 -8.422 -7.389 1.00 0.00 H new ATOM 0 HA ARG A 83 0.556 -10.277 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.153 -7.926 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.251 -7.597 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.245 -9.630 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.244 -9.117 -9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.171 -6.970 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.554 -7.052 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.550 -9.113 -12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.885 -5.611 -12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.305 -5.393 -14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.089 -8.825 -14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.420 -7.205 -15.607 1.00 0.00 H new ATOM 1287 N THR A 84 1.857 -11.343 -9.863 1.00 0.00 N ATOM 1288 CA THR A 84 2.682 -12.065 -10.824 1.00 0.00 C ATOM 1289 C THR A 84 1.853 -12.548 -12.008 1.00 0.00 C ATOM 1290 O THR A 84 0.624 -12.469 -11.991 1.00 0.00 O ATOM 1291 CB THR A 84 3.378 -13.274 -10.171 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.401 -14.237 -9.759 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.206 -12.840 -8.971 1.00 0.00 C ATOM 0 H THR A 84 0.984 -11.811 -9.621 1.00 0.00 H new ATOM 0 HA THR A 84 3.440 -11.366 -11.177 1.00 0.00 H new ATOM 0 HB THR A 84 4.044 -13.723 -10.908 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.851 -15.004 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.688 -13.711 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.967 -12.129 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.557 -12.368 -8.233 1.00 0.00 H new ATOM 1301 N VAL A 85 2.531 -13.050 -13.035 1.00 0.00 N ATOM 1302 CA VAL A 85 1.856 -13.548 -14.227 1.00 0.00 C ATOM 1303 C VAL A 85 0.736 -14.515 -13.860 1.00 0.00 C ATOM 1304 O VAL A 85 -0.204 -14.714 -14.630 1.00 0.00 O ATOM 1305 CB VAL A 85 2.841 -14.257 -15.175 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.143 -15.663 -14.679 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.287 -14.290 -16.592 1.00 0.00 C ATOM 0 H VAL A 85 3.548 -13.123 -13.065 1.00 0.00 H new ATOM 0 HA VAL A 85 1.433 -12.682 -14.736 1.00 0.00 H new ATOM 0 HB VAL A 85 3.774 -13.694 -15.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.841 -16.148 -15.362 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.586 -15.611 -13.684 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.219 -16.239 -14.635 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.996 -14.795 -17.248 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.339 -14.828 -16.600 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.128 -13.271 -16.944 1.00 0.00 H new ATOM 1317 N ALA A 86 0.842 -15.115 -12.679 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.163 -16.060 -12.209 1.00 0.00 C ATOM 1319 C ALA A 86 -1.418 -15.335 -11.733 1.00 0.00 C ATOM 1320 O ALA A 86 -2.533 -15.688 -12.114 1.00 0.00 O ATOM 1321 CB ALA A 86 0.405 -16.923 -11.092 1.00 0.00 C ATOM 0 H ALA A 86 1.614 -14.963 -12.030 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.440 -16.703 -13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.357 -17.624 -10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.268 -17.477 -11.463 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.711 -16.287 -10.261 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.227 -14.319 -10.897 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.353 -13.561 -10.382 1.00 0.00 C ATOM 1329 C GLY A 87 -1.955 -12.621 -9.261 1.00 0.00 C ATOM 1330 O GLY A 87 -0.769 -12.405 -9.015 1.00 0.00 O ATOM 0 H GLY A 87 -0.313 -14.007 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.801 -12.986 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.116 -14.250 -10.020 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.949 -12.061 -8.581 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.697 -11.136 -7.482 1.00 0.00 C ATOM 1336 C TYR A 88 -2.574 -11.883 -6.158 1.00 0.00 C ATOM 1337 O TYR A 88 -3.185 -12.934 -5.965 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.818 -10.099 -7.393 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.713 -9.003 -8.430 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.220 -9.181 -9.711 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.104 -7.791 -8.129 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.126 -8.183 -10.661 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.007 -6.787 -9.072 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.519 -6.987 -10.337 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.422 -5.990 -11.280 1.00 0.00 O ATOM 0 H TYR A 88 -3.937 -12.231 -8.771 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.754 -10.626 -7.679 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.778 -10.603 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.808 -9.650 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.696 -10.116 -9.968 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.700 -7.631 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.526 -8.338 -11.652 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.533 -5.850 -8.820 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.969 -5.214 -10.890 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.778 -11.332 -5.246 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.589 -11.958 -3.951 1.00 0.00 C ATOM 1357 C GLY A 89 -2.346 -11.247 -2.847 1.00 0.00 C ATOM 1358 O GLY A 89 -2.865 -10.149 -3.047 1.00 0.00 O ATOM 0 H GLY A 89 -1.261 -10.463 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.917 -12.996 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.526 -11.971 -3.709 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.411 -11.874 -1.677 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.111 -11.296 -0.536 1.00 0.00 C ATOM 1364 C LYS A 90 -2.452 -9.991 -0.099 1.00 0.00 C ATOM 1365 O LYS A 90 -1.295 -9.728 -0.426 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.131 -12.285 0.631 1.00 0.00 C ATOM 1367 CG LYS A 90 -1.747 -12.681 1.117 1.00 0.00 C ATOM 1368 CD LYS A 90 -1.810 -13.849 2.087 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.164 -13.388 3.493 1.00 0.00 C ATOM 1370 NZ LYS A 90 -2.748 -14.489 4.307 1.00 0.00 N ATOM 0 H LYS A 90 -1.987 -12.783 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.136 -11.082 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.686 -11.845 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.671 -13.182 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.123 -12.949 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.273 -11.828 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.551 -14.570 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.849 -14.363 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.270 -13.007 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.873 -12.562 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.976 -14.135 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.615 -14.836 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.062 -15.267 4.383 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.196 -9.178 0.644 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.684 -7.901 1.127 1.00 0.00 C ATOM 1386 C PHE A 91 -1.983 -8.070 2.472 1.00 0.00 C ATOM 1387 O PHE A 91 -2.436 -8.826 3.330 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.822 -6.887 1.257 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.123 -6.157 -0.021 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.214 -5.256 -0.551 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.316 -6.373 -0.693 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.489 -4.583 -1.726 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.596 -5.702 -1.869 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.681 -4.807 -2.386 1.00 0.00 C ATOM 0 H PHE A 91 -4.155 -9.381 0.925 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.958 -7.532 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.722 -7.403 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.565 -6.161 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.280 -5.078 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.035 -7.073 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.772 -3.882 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.530 -5.878 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.897 -4.283 -3.305 1.00 0.00 H new ATOM 1404 N SER A 92 -0.873 -7.359 2.647 1.00 0.00 N ATOM 1405 CA SER A 92 -0.105 -7.433 3.884 1.00 0.00 C ATOM 1406 C SER A 92 -0.944 -6.972 5.072 1.00 0.00 C ATOM 1407 O SER A 92 -1.885 -6.195 4.918 1.00 0.00 O ATOM 1408 CB SER A 92 1.159 -6.578 3.777 1.00 0.00 C ATOM 1409 OG SER A 92 0.844 -5.197 3.794 1.00 0.00 O ATOM 0 H SER A 92 -0.486 -6.725 1.948 1.00 0.00 H new ATOM 0 HA SER A 92 0.181 -8.473 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.830 -6.811 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.690 -6.822 2.857 1.00 0.00 H new ATOM 0 HG SER A 92 1.146 -4.803 4.639 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.595 -7.459 6.259 1.00 0.00 N ATOM 1416 CA GLY A 93 -1.326 -7.087 7.457 1.00 0.00 C ATOM 1417 C GLY A 93 -1.642 -5.605 7.507 1.00 0.00 C ATOM 1418 O GLY A 93 -0.755 -4.768 7.341 1.00 0.00 O ATOM 0 H GLY A 93 0.180 -8.104 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.255 -7.655 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.741 -7.360 8.335 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.909 -5.280 7.735 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.342 -3.889 7.806 1.00 0.00 C ATOM 1424 C LYS A 94 -2.323 -3.040 8.561 1.00 0.00 C ATOM 1425 O LYS A 94 -1.562 -3.552 9.382 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.708 -3.792 8.489 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.860 -4.255 7.614 1.00 0.00 C ATOM 1428 CD LYS A 94 -5.743 -3.705 6.202 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.065 -3.801 5.456 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.191 -3.235 6.247 1.00 0.00 N ATOM 0 H LYS A 94 -3.655 -5.961 7.874 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.424 -3.508 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.692 -4.389 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.883 -2.759 8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.878 -5.344 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.804 -3.934 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.421 -2.664 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.976 -4.256 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.986 -3.271 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.275 -4.845 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.845 -3.998 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.819 -2.781 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.698 -2.530 5.674 1.00 0.00 H new ATOM 1444 N MET A 95 -2.316 -1.742 8.278 1.00 0.00 N ATOM 1445 CA MET A 95 -1.392 -0.823 8.932 1.00 0.00 C ATOM 1446 C MET A 95 -2.061 0.521 9.200 1.00 0.00 C ATOM 1447 O MET A 95 -3.123 0.817 8.651 1.00 0.00 O ATOM 1448 CB MET A 95 -0.143 -0.621 8.071 1.00 0.00 C ATOM 1449 CG MET A 95 1.108 -0.315 8.878 1.00 0.00 C ATOM 1450 SD MET A 95 1.509 -1.616 10.060 1.00 0.00 S ATOM 1451 CE MET A 95 3.004 -2.283 9.335 1.00 0.00 C ATOM 0 H MET A 95 -2.939 -1.303 7.601 1.00 0.00 H new ATOM 0 HA MET A 95 -1.099 -1.261 9.886 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.028 -1.519 7.477 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.322 0.195 7.371 1.00 0.00 H new ATOM 0 HG2 MET A 95 1.949 -0.175 8.198 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.970 0.625 9.412 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.615 -2.739 10.115 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.743 -3.036 8.592 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.566 -1.481 8.857 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.435 1.331 10.047 1.00 0.00 N ATOM 1462 CA CYS A 96 -1.971 2.644 10.388 1.00 0.00 C ATOM 1463 C CYS A 96 -0.883 3.711 10.317 1.00 0.00 C ATOM 1464 O CYS A 96 0.027 3.740 11.145 1.00 0.00 O ATOM 1465 CB CYS A 96 -2.587 2.618 11.788 1.00 0.00 C ATOM 1466 SG CYS A 96 -1.427 2.157 13.096 1.00 0.00 S ATOM 0 H CYS A 96 -0.556 1.101 10.510 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.746 2.893 9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.997 3.603 12.011 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.421 1.917 11.793 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.253 2.646 12.827 1.00 0.00 H new ATOM 1472 N PHE A 97 -0.983 4.585 9.322 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.006 5.652 9.141 1.00 0.00 C ATOM 1474 C PHE A 97 -0.696 7.010 9.043 1.00 0.00 C ATOM 1475 O PHE A 97 -1.505 7.243 8.146 1.00 0.00 O ATOM 1476 CB PHE A 97 0.828 5.401 7.883 1.00 0.00 C ATOM 1477 CG PHE A 97 1.658 4.150 7.955 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.681 4.034 8.882 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.415 3.092 7.095 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.446 2.885 8.951 1.00 0.00 C ATOM 1481 CE2 PHE A 97 2.176 1.940 7.159 1.00 0.00 C ATOM 1482 CZ PHE A 97 3.194 1.837 8.088 1.00 0.00 C ATOM 0 H PHE A 97 -1.731 4.576 8.628 1.00 0.00 H new ATOM 0 HA PHE A 97 0.652 5.659 10.010 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.163 5.337 7.022 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.485 6.255 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.883 4.851 9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.622 3.168 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.240 2.807 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.975 1.121 6.484 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.791 0.939 8.139 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.370 7.901 9.974 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.959 9.235 9.994 1.00 0.00 C ATOM 1494 C GLN A 98 0.011 10.266 9.427 1.00 0.00 C ATOM 1495 O GLN A 98 1.228 10.088 9.484 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.355 9.619 11.421 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.182 9.665 12.386 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.485 10.468 13.635 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.132 11.644 13.733 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.144 9.836 14.600 1.00 0.00 N ATOM 0 H GLN A 98 0.298 7.723 10.724 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.852 9.221 9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.840 10.595 11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.091 8.904 11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.090 8.648 12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.682 10.097 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.417 8.861 14.477 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.377 10.326 15.464 1.00 0.00 H new ATOM 1509 N THR A 99 -0.536 11.348 8.880 1.00 0.00 N ATOM 1510 CA THR A 99 0.280 12.407 8.301 1.00 0.00 C ATOM 1511 C THR A 99 0.861 13.308 9.385 1.00 0.00 C ATOM 1512 O THR A 99 0.625 13.096 10.576 1.00 0.00 O ATOM 1513 CB THR A 99 -0.533 13.268 7.316 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.664 13.840 7.983 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.002 12.437 6.132 1.00 0.00 C ATOM 0 H THR A 99 -1.541 11.513 8.826 1.00 0.00 H new ATOM 0 HA THR A 99 1.093 11.920 7.762 1.00 0.00 H new ATOM 0 HB THR A 99 0.111 14.066 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.417 13.897 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.574 13.066 5.450 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.137 12.028 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.631 11.621 6.487 1.00 0.00 H new ATOM 1523 N LEU A 100 1.621 14.314 8.968 1.00 0.00 N ATOM 1524 CA LEU A 100 2.236 15.249 9.904 1.00 0.00 C ATOM 1525 C LEU A 100 1.201 16.220 10.462 1.00 0.00 C ATOM 1526 O LEU A 100 0.566 16.965 9.715 1.00 0.00 O ATOM 1527 CB LEU A 100 3.361 16.024 9.216 1.00 0.00 C ATOM 1528 CG LEU A 100 4.385 15.184 8.452 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.416 16.079 7.781 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.064 14.192 9.385 1.00 0.00 C ATOM 0 H LEU A 100 1.827 14.504 7.987 1.00 0.00 H new ATOM 0 HA LEU A 100 2.652 14.675 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.913 16.735 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.889 16.606 9.971 1.00 0.00 H new ATOM 0 HG LEU A 100 3.861 14.624 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.136 15.464 7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.916 16.749 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.935 16.667 8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.789 13.603 8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.574 14.733 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.315 13.529 9.818 1.00 0.00 H new ATOM 1542 N THR A 101 1.037 16.209 11.781 1.00 0.00 N ATOM 1543 CA THR A 101 0.080 17.090 12.440 1.00 0.00 C ATOM 1544 C THR A 101 0.698 18.453 12.731 1.00 0.00 C ATOM 1545 O THR A 101 1.489 18.601 13.662 1.00 0.00 O ATOM 1546 CB THR A 101 -0.430 16.478 13.758 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.629 16.434 14.721 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.973 15.076 13.530 1.00 0.00 C ATOM 0 H THR A 101 1.555 15.600 12.414 1.00 0.00 H new ATOM 0 HA THR A 101 -0.760 17.214 11.756 1.00 0.00 H new ATOM 0 HB THR A 101 -1.237 17.106 14.135 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.342 17.050 14.452 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.327 14.665 14.475 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.799 15.117 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.183 14.440 13.131 1.00 0.00 H new ATOM 1556 N ASP A 102 0.330 19.446 11.929 1.00 0.00 N ATOM 1557 CA ASP A 102 0.846 20.799 12.102 1.00 0.00 C ATOM 1558 C ASP A 102 0.022 21.569 13.129 1.00 0.00 C ATOM 1559 O ASP A 102 -0.901 22.303 12.775 1.00 0.00 O ATOM 1560 CB ASP A 102 0.843 21.544 10.766 1.00 0.00 C ATOM 1561 CG ASP A 102 1.076 23.033 10.932 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.244 23.432 11.121 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.091 23.798 10.875 1.00 0.00 O ATOM 0 H ASP A 102 -0.323 19.340 11.153 1.00 0.00 H new ATOM 0 HA ASP A 102 1.871 20.726 12.466 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.616 21.128 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.112 21.382 10.265 1.00 0.00 H new ATOM 1568 N SER A 103 0.360 21.395 14.403 1.00 0.00 N ATOM 1569 CA SER A 103 -0.352 22.069 15.482 1.00 0.00 C ATOM 1570 C SER A 103 0.625 22.746 16.438 1.00 0.00 C ATOM 1571 O SER A 103 1.475 22.092 17.041 1.00 0.00 O ATOM 1572 CB SER A 103 -1.223 21.071 16.248 1.00 0.00 C ATOM 1573 OG SER A 103 -2.506 20.956 15.657 1.00 0.00 O ATOM 0 H SER A 103 1.123 20.793 14.713 1.00 0.00 H new ATOM 0 HA SER A 103 -0.990 22.834 15.040 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.737 20.095 16.263 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.324 21.392 17.285 1.00 0.00 H new ATOM 0 HG SER A 103 -3.043 20.311 16.164 1.00 0.00 H new ATOM 1579 N GLY A 104 0.497 24.063 16.570 1.00 0.00 N ATOM 1580 CA GLY A 104 1.375 24.808 17.453 1.00 0.00 C ATOM 1581 C GLY A 104 1.366 24.270 18.870 1.00 0.00 C ATOM 1582 O GLY A 104 2.283 23.569 19.297 1.00 0.00 O ATOM 0 H GLY A 104 -0.199 24.627 16.081 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.392 24.775 17.062 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.071 25.855 17.463 1.00 0.00 H new ATOM 1586 N PRO A 105 0.308 24.600 19.626 1.00 0.00 N ATOM 1587 CA PRO A 105 0.158 24.156 21.015 1.00 0.00 C ATOM 1588 C PRO A 105 -0.112 22.659 21.119 1.00 0.00 C ATOM 1589 O PRO A 105 -1.094 22.156 20.574 1.00 0.00 O ATOM 1590 CB PRO A 105 -1.050 24.953 21.513 1.00 0.00 C ATOM 1591 CG PRO A 105 -1.833 25.264 20.284 1.00 0.00 C ATOM 1592 CD PRO A 105 -0.823 25.432 19.183 1.00 0.00 C ATOM 0 HA PRO A 105 1.065 24.322 21.596 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.641 24.374 22.223 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.739 25.864 22.025 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.533 24.461 20.053 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.422 26.172 20.415 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.216 25.097 18.223 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.531 26.475 19.062 1.00 0.00 H new ATOM 1600 N SER A 106 0.766 21.951 21.823 1.00 0.00 N ATOM 1601 CA SER A 106 0.624 20.510 21.995 1.00 0.00 C ATOM 1602 C SER A 106 1.433 20.024 23.194 1.00 0.00 C ATOM 1603 O SER A 106 2.533 20.513 23.453 1.00 0.00 O ATOM 1604 CB SER A 106 1.074 19.777 20.730 1.00 0.00 C ATOM 1605 OG SER A 106 0.740 18.401 20.792 1.00 0.00 O ATOM 0 H SER A 106 1.583 22.352 22.283 1.00 0.00 H new ATOM 0 HA SER A 106 -0.428 20.292 22.177 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.604 20.230 19.857 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.151 19.888 20.605 1.00 0.00 H new ATOM 0 HG SER A 106 1.037 17.955 19.971 1.00 0.00 H new ATOM 1611 N SER A 107 0.881 19.059 23.921 1.00 0.00 N ATOM 1612 CA SER A 107 1.548 18.508 25.095 1.00 0.00 C ATOM 1613 C SER A 107 1.575 16.984 25.039 1.00 0.00 C ATOM 1614 O SER A 107 0.737 16.360 24.389 1.00 0.00 O ATOM 1615 CB SER A 107 0.845 18.972 26.372 1.00 0.00 C ATOM 1616 OG SER A 107 -0.524 18.605 26.362 1.00 0.00 O ATOM 0 H SER A 107 -0.027 18.642 23.718 1.00 0.00 H new ATOM 0 HA SER A 107 2.576 18.871 25.103 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.336 18.534 27.241 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.934 20.054 26.467 1.00 0.00 H new ATOM 0 HG SER A 107 -0.951 18.911 27.189 1.00 0.00 H new ATOM 1622 N GLY A 108 2.544 16.390 25.728 1.00 0.00 N ATOM 1623 CA GLY A 108 2.663 14.943 25.745 1.00 0.00 C ATOM 1624 C GLY A 108 1.639 14.288 26.650 1.00 0.00 C ATOM 1625 O GLY A 108 1.258 13.137 26.435 1.00 0.00 O ATOM 0 H GLY A 108 3.249 16.884 26.275 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.545 14.560 24.731 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.665 14.668 26.076 1.00 0.00 H new TER 1629 GLY A 108