USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 14 HIS : no HD1:sc= -6.19! C(o=-6.4!,f=-14!) USER MOD Set 1.2: A 16 SER OG : rot -146:sc= -0.197 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.114 (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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 153:sc= -0.856 (180deg=-1.87) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0831 K(o=-0.083,f=-0.96) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= -0.205 K(o=-0.21,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.16 (180deg=-0.628) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.27 F(o=-3.2,f=-1.3) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0703 K(o=-0.07,f=-1.2) USER MOD Single : A 46 TYR OH : rot 77:sc= 1.03 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -0.0928 (180deg=-0.228) USER MOD Single : A 56 GLN : amide:sc= -10.4! C(o=-10!,f=-18!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= -0.138 (180deg=-0.767) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 82 THR OG1 : rot 110:sc= -3.14! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.391 K(o=-0.39,f=-3.1!) USER MOD Single : A 92 ASN :FLIP amide:sc= -2.21! C(o=-3.1!,f=-2.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.283 3.157 -13.808 1.00 0.00 N ATOM 2 CA GLY A 1 -25.130 1.722 -13.636 1.00 0.00 C ATOM 3 C GLY A 1 -24.562 1.393 -12.254 1.00 0.00 C ATOM 4 O GLY A 1 -24.458 2.269 -11.397 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.247 3.366 -14.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.116 3.635 -12.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.596 3.498 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.095 1.232 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.469 1.328 -14.408 1.00 0.00 H new ATOM 8 N SER A 2 -24.209 0.128 -12.081 1.00 0.00 N ATOM 9 CA SER A 2 -23.654 -0.328 -10.817 1.00 0.00 C ATOM 10 C SER A 2 -23.236 -1.795 -10.928 1.00 0.00 C ATOM 11 O SER A 2 -23.889 -2.580 -11.615 1.00 0.00 O ATOM 12 CB SER A 2 -24.659 -0.147 -9.677 1.00 0.00 C ATOM 13 OG SER A 2 -25.681 -1.139 -9.704 1.00 0.00 O ATOM 0 H SER A 2 -24.296 -0.596 -12.794 1.00 0.00 H new ATOM 0 HA SER A 2 -22.776 0.277 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.136 -0.192 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.112 0.842 -9.747 1.00 0.00 H new ATOM 0 HG SER A 2 -26.301 -0.990 -8.960 1.00 0.00 H new ATOM 19 N SER A 3 -22.150 -2.121 -10.243 1.00 0.00 N ATOM 20 CA SER A 3 -21.637 -3.481 -10.256 1.00 0.00 C ATOM 21 C SER A 3 -20.811 -3.740 -8.995 1.00 0.00 C ATOM 22 O SER A 3 -19.977 -2.920 -8.615 1.00 0.00 O ATOM 23 CB SER A 3 -20.793 -3.739 -11.506 1.00 0.00 C ATOM 24 OG SER A 3 -21.277 -4.849 -12.257 1.00 0.00 O ATOM 0 H SER A 3 -21.611 -1.467 -9.675 1.00 0.00 H new ATOM 0 HA SER A 3 -22.484 -4.167 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.794 -2.848 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.759 -3.922 -11.214 1.00 0.00 H new ATOM 0 HG SER A 3 -20.713 -4.980 -13.048 1.00 0.00 H new ATOM 30 N GLY A 4 -21.072 -4.885 -8.380 1.00 0.00 N ATOM 31 CA GLY A 4 -20.363 -5.263 -7.170 1.00 0.00 C ATOM 32 C GLY A 4 -19.557 -6.546 -7.384 1.00 0.00 C ATOM 33 O GLY A 4 -18.644 -6.579 -8.208 1.00 0.00 O ATOM 0 H GLY A 4 -21.765 -5.563 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.695 -4.456 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.075 -5.408 -6.357 1.00 0.00 H new ATOM 37 N SER A 5 -19.924 -7.570 -6.629 1.00 0.00 N ATOM 38 CA SER A 5 -19.246 -8.852 -6.726 1.00 0.00 C ATOM 39 C SER A 5 -17.762 -8.686 -6.392 1.00 0.00 C ATOM 40 O SER A 5 -16.998 -8.150 -7.193 1.00 0.00 O ATOM 41 CB SER A 5 -19.412 -9.458 -8.121 1.00 0.00 C ATOM 42 OG SER A 5 -20.604 -10.231 -8.229 1.00 0.00 O ATOM 0 H SER A 5 -20.682 -7.539 -5.947 1.00 0.00 H new ATOM 0 HA SER A 5 -19.699 -9.534 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.429 -8.660 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.551 -10.086 -8.348 1.00 0.00 H new ATOM 0 HG SER A 5 -20.674 -10.599 -9.135 1.00 0.00 H new ATOM 48 N SER A 6 -17.399 -9.156 -5.207 1.00 0.00 N ATOM 49 CA SER A 6 -16.020 -9.066 -4.758 1.00 0.00 C ATOM 50 C SER A 6 -15.746 -10.133 -3.696 1.00 0.00 C ATOM 51 O SER A 6 -15.957 -9.899 -2.507 1.00 0.00 O ATOM 52 CB SER A 6 -15.711 -7.674 -4.204 1.00 0.00 C ATOM 53 OG SER A 6 -14.722 -6.999 -4.977 1.00 0.00 O ATOM 0 H SER A 6 -18.035 -9.600 -4.545 1.00 0.00 H new ATOM 0 HA SER A 6 -15.369 -9.239 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.625 -7.080 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.368 -7.762 -3.173 1.00 0.00 H new ATOM 0 HG SER A 6 -14.554 -6.114 -4.592 1.00 0.00 H new ATOM 59 N GLY A 7 -15.280 -11.281 -4.163 1.00 0.00 N ATOM 60 CA GLY A 7 -14.974 -12.385 -3.268 1.00 0.00 C ATOM 61 C GLY A 7 -14.925 -13.711 -4.030 1.00 0.00 C ATOM 62 O GLY A 7 -15.354 -13.786 -5.180 1.00 0.00 O ATOM 0 H GLY A 7 -15.106 -11.472 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.016 -12.207 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.727 -12.441 -2.482 1.00 0.00 H new ATOM 66 N MET A 8 -14.399 -14.724 -3.357 1.00 0.00 N ATOM 67 CA MET A 8 -14.288 -16.043 -3.956 1.00 0.00 C ATOM 68 C MET A 8 -14.131 -17.121 -2.882 1.00 0.00 C ATOM 69 O MET A 8 -13.806 -16.818 -1.735 1.00 0.00 O ATOM 70 CB MET A 8 -13.080 -16.078 -4.895 1.00 0.00 C ATOM 71 CG MET A 8 -11.784 -15.799 -4.131 1.00 0.00 C ATOM 72 SD MET A 8 -11.152 -14.188 -4.571 1.00 0.00 S ATOM 73 CE MET A 8 -10.577 -13.635 -2.974 1.00 0.00 C ATOM 0 H MET A 8 -14.045 -14.658 -2.403 1.00 0.00 H new ATOM 0 HA MET A 8 -15.201 -16.245 -4.517 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.019 -17.053 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.207 -15.338 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.967 -15.846 -3.058 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.044 -16.565 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.149 -12.637 -3.067 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.413 -13.607 -2.276 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.817 -14.323 -2.603 1.00 0.00 H new ATOM 83 N ASP A 9 -14.369 -18.359 -3.292 1.00 0.00 N ATOM 84 CA ASP A 9 -14.258 -19.484 -2.379 1.00 0.00 C ATOM 85 C ASP A 9 -12.810 -19.604 -1.899 1.00 0.00 C ATOM 86 O ASP A 9 -11.906 -19.845 -2.697 1.00 0.00 O ATOM 87 CB ASP A 9 -14.637 -20.794 -3.071 1.00 0.00 C ATOM 88 CG ASP A 9 -16.118 -20.931 -3.430 1.00 0.00 C ATOM 89 OD1 ASP A 9 -16.879 -20.011 -3.060 1.00 0.00 O ATOM 90 OD2 ASP A 9 -16.456 -21.952 -4.066 1.00 0.00 O ATOM 0 H ASP A 9 -14.638 -18.607 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.936 -19.309 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.047 -20.890 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.358 -21.624 -2.422 1.00 0.00 H new ATOM 95 N MET A 10 -12.636 -19.432 -0.596 1.00 0.00 N ATOM 96 CA MET A 10 -11.314 -19.518 -0.001 1.00 0.00 C ATOM 97 C MET A 10 -11.306 -20.494 1.178 1.00 0.00 C ATOM 98 O MET A 10 -11.748 -20.152 2.274 1.00 0.00 O ATOM 99 CB MET A 10 -10.878 -18.133 0.480 1.00 0.00 C ATOM 100 CG MET A 10 -9.405 -17.878 0.158 1.00 0.00 C ATOM 101 SD MET A 10 -8.442 -17.878 1.661 1.00 0.00 S ATOM 102 CE MET A 10 -7.061 -16.872 1.144 1.00 0.00 C ATOM 0 H MET A 10 -13.389 -19.234 0.063 1.00 0.00 H new ATOM 0 HA MET A 10 -10.620 -19.884 -0.757 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.495 -17.369 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.038 -18.051 1.555 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.035 -18.646 -0.521 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.296 -16.921 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.628 -16.375 2.012 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.307 -17.503 0.673 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.404 -16.122 0.431 1.00 0.00 H new ATOM 112 N GLY A 11 -10.801 -21.689 0.913 1.00 0.00 N ATOM 113 CA GLY A 11 -10.730 -22.716 1.938 1.00 0.00 C ATOM 114 C GLY A 11 -9.698 -22.353 3.008 1.00 0.00 C ATOM 115 O GLY A 11 -10.038 -21.748 4.024 1.00 0.00 O ATOM 0 H GLY A 11 -10.437 -21.969 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.709 -22.842 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.467 -23.671 1.483 1.00 0.00 H new ATOM 119 N ASN A 12 -8.458 -22.738 2.744 1.00 0.00 N ATOM 120 CA ASN A 12 -7.375 -22.461 3.671 1.00 0.00 C ATOM 121 C ASN A 12 -6.977 -20.988 3.558 1.00 0.00 C ATOM 122 O ASN A 12 -6.691 -20.501 2.465 1.00 0.00 O ATOM 123 CB ASN A 12 -6.143 -23.310 3.349 1.00 0.00 C ATOM 124 CG ASN A 12 -5.528 -23.889 4.624 1.00 0.00 C ATOM 125 OD1 ASN A 12 -5.782 -25.019 5.009 1.00 0.00 O ATOM 126 ND2 ASN A 12 -4.708 -23.055 5.257 1.00 0.00 N ATOM 0 H ASN A 12 -8.180 -23.240 1.901 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.723 -22.698 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.421 -24.120 2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.404 -22.702 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.248 -23.348 6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.539 -22.122 4.880 1.00 0.00 H new ATOM 133 N GLN A 13 -6.971 -20.320 4.702 1.00 0.00 N ATOM 134 CA GLN A 13 -6.612 -18.912 4.745 1.00 0.00 C ATOM 135 C GLN A 13 -5.100 -18.745 4.586 1.00 0.00 C ATOM 136 O GLN A 13 -4.372 -18.682 5.576 1.00 0.00 O ATOM 137 CB GLN A 13 -7.104 -18.261 6.039 1.00 0.00 C ATOM 138 CG GLN A 13 -7.716 -16.886 5.762 1.00 0.00 C ATOM 139 CD GLN A 13 -7.417 -15.913 6.904 1.00 0.00 C ATOM 140 OE1 GLN A 13 -7.101 -16.300 8.017 1.00 0.00 O ATOM 141 NE2 GLN A 13 -7.535 -14.631 6.568 1.00 0.00 N ATOM 0 H GLN A 13 -7.209 -20.727 5.606 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.102 -18.406 3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.845 -18.904 6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.274 -18.160 6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.319 -16.489 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.794 -16.983 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.803 -14.375 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.357 -13.904 7.261 1.00 0.00 H new ATOM 150 N HIS A 14 -4.672 -18.676 3.334 1.00 0.00 N ATOM 151 CA HIS A 14 -3.259 -18.517 3.033 1.00 0.00 C ATOM 152 C HIS A 14 -2.637 -17.517 4.009 1.00 0.00 C ATOM 153 O HIS A 14 -3.267 -16.527 4.376 1.00 0.00 O ATOM 154 CB HIS A 14 -3.057 -18.122 1.569 1.00 0.00 C ATOM 155 CG HIS A 14 -1.721 -18.537 1.000 1.00 0.00 C ATOM 156 ND1 HIS A 14 -0.610 -17.713 1.018 1.00 0.00 N ATOM 157 CD2 HIS A 14 -1.331 -19.697 0.398 1.00 0.00 C ATOM 158 CE1 HIS A 14 0.398 -18.358 0.449 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.051 -19.588 0.065 1.00 0.00 N ATOM 0 H HIS A 14 -5.279 -18.727 2.516 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.745 -19.469 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.850 -18.569 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.159 -17.041 1.478 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.958 -20.559 0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.399 -17.977 0.313 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.505 -20.305 -0.401 1.00 0.00 H new ATOM 167 N PRO A 15 -1.374 -17.819 4.413 1.00 0.00 N ATOM 168 CA PRO A 15 -0.658 -16.958 5.340 1.00 0.00 C ATOM 169 C PRO A 15 -0.169 -15.688 4.641 1.00 0.00 C ATOM 170 O PRO A 15 0.379 -14.793 5.284 1.00 0.00 O ATOM 171 CB PRO A 15 0.476 -17.815 5.877 1.00 0.00 C ATOM 172 CG PRO A 15 0.634 -18.963 4.893 1.00 0.00 C ATOM 173 CD PRO A 15 -0.596 -18.983 4.000 1.00 0.00 C ATOM 0 HA PRO A 15 -1.288 -16.600 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.398 -17.238 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.246 -18.186 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.537 -18.833 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.736 -19.910 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.322 -18.922 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.164 -19.905 4.129 1.00 0.00 H new ATOM 181 N SER A 16 -0.383 -15.649 3.334 1.00 0.00 N ATOM 182 CA SER A 16 0.030 -14.504 2.541 1.00 0.00 C ATOM 183 C SER A 16 -1.148 -13.544 2.356 1.00 0.00 C ATOM 184 O SER A 16 -0.953 -12.337 2.218 1.00 0.00 O ATOM 185 CB SER A 16 0.575 -14.943 1.181 1.00 0.00 C ATOM 186 OG SER A 16 1.665 -15.852 1.311 1.00 0.00 O ATOM 0 H SER A 16 -0.837 -16.393 2.804 1.00 0.00 H new ATOM 0 HA SER A 16 0.830 -13.990 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.222 -15.413 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.899 -14.066 0.620 1.00 0.00 H new ATOM 0 HG SER A 16 2.301 -15.707 0.580 1.00 0.00 H new ATOM 192 N ILE A 17 -2.342 -14.116 2.360 1.00 0.00 N ATOM 193 CA ILE A 17 -3.551 -13.327 2.194 1.00 0.00 C ATOM 194 C ILE A 17 -3.860 -12.595 3.501 1.00 0.00 C ATOM 195 O ILE A 17 -4.114 -11.391 3.498 1.00 0.00 O ATOM 196 CB ILE A 17 -4.700 -14.204 1.694 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.406 -14.750 0.295 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.030 -13.449 1.747 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.482 -13.638 -0.754 1.00 0.00 C ATOM 0 H ILE A 17 -2.499 -15.117 2.476 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.406 -12.566 1.428 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.790 -15.061 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.415 -15.204 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.120 -15.536 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.830 -14.095 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.239 -13.152 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.970 -12.561 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.269 -14.052 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.481 -13.203 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.750 -12.866 -0.519 1.00 0.00 H new ATOM 211 N SER A 18 -3.828 -13.352 4.588 1.00 0.00 N ATOM 212 CA SER A 18 -4.102 -12.790 5.900 1.00 0.00 C ATOM 213 C SER A 18 -3.118 -11.657 6.199 1.00 0.00 C ATOM 214 O SER A 18 -3.370 -10.825 7.070 1.00 0.00 O ATOM 215 CB SER A 18 -4.021 -13.864 6.987 1.00 0.00 C ATOM 216 OG SER A 18 -4.351 -13.347 8.273 1.00 0.00 O ATOM 0 H SER A 18 -3.617 -14.350 4.587 1.00 0.00 H new ATOM 0 HA SER A 18 -5.116 -12.391 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.698 -14.682 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.014 -14.280 7.011 1.00 0.00 H new ATOM 0 HG SER A 18 -4.289 -14.063 8.939 1.00 0.00 H new ATOM 222 N ARG A 19 -2.018 -11.661 5.461 1.00 0.00 N ATOM 223 CA ARG A 19 -0.995 -10.644 5.637 1.00 0.00 C ATOM 224 C ARG A 19 -1.379 -9.369 4.883 1.00 0.00 C ATOM 225 O ARG A 19 -1.495 -8.301 5.481 1.00 0.00 O ATOM 226 CB ARG A 19 0.364 -11.136 5.134 1.00 0.00 C ATOM 227 CG ARG A 19 1.385 -9.997 5.109 1.00 0.00 C ATOM 228 CD ARG A 19 1.730 -9.540 6.528 1.00 0.00 C ATOM 229 NE ARG A 19 3.062 -10.055 6.916 1.00 0.00 N ATOM 230 CZ ARG A 19 3.604 -9.897 8.131 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.932 -9.237 9.083 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.819 -10.399 8.393 1.00 0.00 N ATOM 0 H ARG A 19 -1.813 -12.352 4.740 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.919 -10.431 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.725 -11.939 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.256 -11.554 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.290 -10.326 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.985 -9.158 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.723 -8.451 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.975 -9.898 7.228 1.00 0.00 H new ATOM 0 HE ARG A 19 3.601 -10.562 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.008 -8.855 8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.344 -9.117 10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.331 -10.901 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.232 -10.279 9.318 1.00 0.00 H new ATOM 246 N LEU A 20 -1.565 -9.524 3.580 1.00 0.00 N ATOM 247 CA LEU A 20 -1.934 -8.399 2.738 1.00 0.00 C ATOM 248 C LEU A 20 -3.169 -7.712 3.323 1.00 0.00 C ATOM 249 O LEU A 20 -3.315 -6.495 3.220 1.00 0.00 O ATOM 250 CB LEU A 20 -2.111 -8.851 1.287 1.00 0.00 C ATOM 251 CG LEU A 20 -0.859 -8.792 0.409 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.009 -9.690 -0.821 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.524 -7.349 0.027 1.00 0.00 C ATOM 0 H LEU A 20 -1.467 -10.412 3.087 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.135 -7.658 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.481 -9.876 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.883 -8.234 0.827 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.018 -9.175 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.106 -9.630 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.164 -10.721 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.865 -9.360 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.370 -7.336 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.358 -6.916 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.345 -6.766 0.930 1.00 0.00 H new ATOM 265 N GLN A 21 -4.028 -8.523 3.925 1.00 0.00 N ATOM 266 CA GLN A 21 -5.246 -8.008 4.527 1.00 0.00 C ATOM 267 C GLN A 21 -4.910 -7.058 5.678 1.00 0.00 C ATOM 268 O GLN A 21 -5.674 -6.141 5.974 1.00 0.00 O ATOM 269 CB GLN A 21 -6.146 -9.150 5.003 1.00 0.00 C ATOM 270 CG GLN A 21 -7.120 -9.577 3.903 1.00 0.00 C ATOM 271 CD GLN A 21 -8.221 -10.479 4.465 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.255 -10.802 5.640 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.117 -10.865 3.561 1.00 0.00 N ATOM 0 H GLN A 21 -3.904 -9.532 4.008 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.794 -7.448 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.533 -10.001 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.704 -8.835 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.567 -8.694 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.579 -10.104 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.029 -10.558 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.892 -11.468 3.836 1.00 0.00 H new ATOM 282 N GLU A 22 -3.765 -7.311 6.296 1.00 0.00 N ATOM 283 CA GLU A 22 -3.318 -6.490 7.408 1.00 0.00 C ATOM 284 C GLU A 22 -2.478 -5.317 6.898 1.00 0.00 C ATOM 285 O GLU A 22 -2.199 -4.379 7.643 1.00 0.00 O ATOM 286 CB GLU A 22 -2.537 -7.323 8.426 1.00 0.00 C ATOM 287 CG GLU A 22 -3.377 -7.590 9.676 1.00 0.00 C ATOM 288 CD GLU A 22 -2.500 -7.619 10.930 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.466 -8.321 10.883 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.882 -6.939 11.906 1.00 0.00 O ATOM 0 H GLU A 22 -3.134 -8.073 6.047 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.196 -6.089 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.239 -8.269 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.622 -6.800 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.139 -6.817 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.900 -8.541 9.571 1.00 0.00 H new ATOM 297 N ILE A 23 -2.098 -5.410 5.632 1.00 0.00 N ATOM 298 CA ILE A 23 -1.295 -4.368 5.014 1.00 0.00 C ATOM 299 C ILE A 23 -2.206 -3.435 4.214 1.00 0.00 C ATOM 300 O ILE A 23 -2.023 -2.218 4.231 1.00 0.00 O ATOM 301 CB ILE A 23 -0.166 -4.984 4.185 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.779 -5.801 5.068 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.579 -3.909 3.390 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.626 -6.758 4.226 1.00 0.00 C ATOM 0 H ILE A 23 -2.331 -6.190 5.018 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.806 -3.761 5.776 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.607 -5.671 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.430 -5.130 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.201 -6.368 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.376 -4.373 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.116 -3.408 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.008 -3.180 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.289 -7.327 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.972 -7.443 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.221 -6.187 3.513 1.00 0.00 H new ATOM 316 N GLN A 24 -3.168 -4.040 3.533 1.00 0.00 N ATOM 317 CA GLN A 24 -4.109 -3.278 2.729 1.00 0.00 C ATOM 318 C GLN A 24 -4.928 -2.339 3.617 1.00 0.00 C ATOM 319 O GLN A 24 -5.096 -1.164 3.295 1.00 0.00 O ATOM 320 CB GLN A 24 -5.020 -4.206 1.924 1.00 0.00 C ATOM 321 CG GLN A 24 -4.480 -4.413 0.508 1.00 0.00 C ATOM 322 CD GLN A 24 -5.608 -4.767 -0.463 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.768 -4.455 -0.248 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.205 -5.434 -1.541 1.00 0.00 N ATOM 0 H GLN A 24 -3.316 -5.049 3.521 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.544 -2.673 2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.103 -5.168 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.024 -3.784 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.976 -3.507 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.735 -5.209 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.218 -5.663 -1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.883 -5.716 -2.249 1.00 0.00 H new ATOM 333 N ARG A 25 -5.416 -2.893 4.717 1.00 0.00 N ATOM 334 CA ARG A 25 -6.213 -2.120 5.654 1.00 0.00 C ATOM 335 C ARG A 25 -5.400 -0.944 6.200 1.00 0.00 C ATOM 336 O ARG A 25 -5.965 0.056 6.638 1.00 0.00 O ATOM 337 CB ARG A 25 -6.688 -2.988 6.821 1.00 0.00 C ATOM 338 CG ARG A 25 -5.542 -3.272 7.795 1.00 0.00 C ATOM 339 CD ARG A 25 -6.034 -4.074 9.001 1.00 0.00 C ATOM 340 NE ARG A 25 -5.698 -3.361 10.254 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.429 -2.363 10.770 1.00 0.00 C ATOM 342 NH1 ARG A 25 -7.542 -1.955 10.145 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.048 -1.775 11.912 1.00 0.00 N ATOM 0 H ARG A 25 -5.275 -3.868 4.980 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.084 -1.745 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.500 -2.485 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.088 -3.928 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.754 -3.824 7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.105 -2.332 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.112 -4.222 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.576 -5.063 9.002 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.858 -3.647 10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.833 -2.404 9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.098 -1.196 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.202 -2.087 12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.604 -1.016 12.305 1.00 0.00 H new ATOM 357 N GLU A 26 -4.085 -1.105 6.156 1.00 0.00 N ATOM 358 CA GLU A 26 -3.188 -0.069 6.640 1.00 0.00 C ATOM 359 C GLU A 26 -3.083 1.063 5.617 1.00 0.00 C ATOM 360 O GLU A 26 -3.486 2.193 5.892 1.00 0.00 O ATOM 361 CB GLU A 26 -1.809 -0.646 6.964 1.00 0.00 C ATOM 362 CG GLU A 26 -1.828 -1.400 8.295 1.00 0.00 C ATOM 363 CD GLU A 26 -1.300 -0.521 9.431 1.00 0.00 C ATOM 364 OE1 GLU A 26 -2.124 0.231 9.996 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.086 -0.621 9.708 1.00 0.00 O ATOM 0 H GLU A 26 -3.620 -1.937 5.793 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.600 0.340 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.496 -1.319 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.076 0.159 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.845 -1.720 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.220 -2.301 8.215 1.00 0.00 H new ATOM 372 N VAL A 27 -2.539 0.722 4.458 1.00 0.00 N ATOM 373 CA VAL A 27 -2.375 1.696 3.392 1.00 0.00 C ATOM 374 C VAL A 27 -3.728 2.342 3.086 1.00 0.00 C ATOM 375 O VAL A 27 -3.786 3.489 2.644 1.00 0.00 O ATOM 376 CB VAL A 27 -1.739 1.032 2.169 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.446 0.308 2.549 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.723 0.077 1.490 1.00 0.00 C ATOM 0 H VAL A 27 -2.206 -0.216 4.234 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.697 2.491 3.702 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.487 1.816 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.014 -0.155 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.263 1.024 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.664 -0.461 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.246 -0.382 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.021 -0.700 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.604 0.631 1.168 1.00 0.00 H new ATOM 388 N LYS A 28 -4.782 1.579 3.333 1.00 0.00 N ATOM 389 CA LYS A 28 -6.130 2.063 3.090 1.00 0.00 C ATOM 390 C LYS A 28 -6.548 2.992 4.231 1.00 0.00 C ATOM 391 O LYS A 28 -7.186 4.018 3.999 1.00 0.00 O ATOM 392 CB LYS A 28 -7.088 0.891 2.869 1.00 0.00 C ATOM 393 CG LYS A 28 -8.403 1.367 2.247 1.00 0.00 C ATOM 394 CD LYS A 28 -8.793 0.493 1.053 1.00 0.00 C ATOM 395 CE LYS A 28 -8.795 1.305 -0.243 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.815 2.377 -0.183 1.00 0.00 N ATOM 0 H LYS A 28 -4.730 0.628 3.699 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.164 2.650 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.620 0.152 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.289 0.397 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.194 1.340 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.303 2.404 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.095 -0.339 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.781 0.064 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.810 1.741 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.998 0.649 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.119 2.621 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.634 2.046 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.409 3.218 0.275 1.00 0.00 H new ATOM 410 N ALA A 29 -6.171 2.600 5.439 1.00 0.00 N ATOM 411 CA ALA A 29 -6.499 3.385 6.617 1.00 0.00 C ATOM 412 C ALA A 29 -5.696 4.687 6.597 1.00 0.00 C ATOM 413 O ALA A 29 -5.953 5.592 7.389 1.00 0.00 O ATOM 414 CB ALA A 29 -6.231 2.555 7.874 1.00 0.00 C ATOM 0 H ALA A 29 -5.641 1.749 5.628 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.556 3.650 6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.477 3.144 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.846 1.656 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.178 2.274 7.907 1.00 0.00 H new ATOM 420 N ILE A 30 -4.740 4.741 5.681 1.00 0.00 N ATOM 421 CA ILE A 30 -3.897 5.917 5.547 1.00 0.00 C ATOM 422 C ILE A 30 -4.098 6.527 4.158 1.00 0.00 C ATOM 423 O ILE A 30 -3.379 7.446 3.770 1.00 0.00 O ATOM 424 CB ILE A 30 -2.441 5.572 5.863 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.892 4.547 4.868 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.290 5.103 7.311 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.145 5.238 3.725 1.00 0.00 C ATOM 0 H ILE A 30 -4.531 3.989 5.024 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.184 6.677 6.274 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.844 6.478 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.221 3.859 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.711 3.952 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.245 4.864 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.615 5.895 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.902 4.215 7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.765 4.487 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.825 5.907 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.312 5.813 4.130 1.00 0.00 H new ATOM 439 N GLU A 31 -5.079 5.990 3.447 1.00 0.00 N ATOM 440 CA GLU A 31 -5.383 6.469 2.110 1.00 0.00 C ATOM 441 C GLU A 31 -5.999 7.868 2.175 1.00 0.00 C ATOM 442 O GLU A 31 -5.651 8.741 1.382 1.00 0.00 O ATOM 443 CB GLU A 31 -6.308 5.496 1.375 1.00 0.00 C ATOM 444 CG GLU A 31 -6.910 6.147 0.129 1.00 0.00 C ATOM 445 CD GLU A 31 -7.918 5.214 -0.545 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.830 4.751 0.174 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.754 4.985 -1.762 1.00 0.00 O ATOM 0 H GLU A 31 -5.673 5.228 3.772 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.452 6.529 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.751 4.604 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.107 5.173 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.401 7.081 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.116 6.399 -0.574 1.00 0.00 H new ATOM 454 N PRO A 32 -6.928 8.042 3.152 1.00 0.00 N ATOM 455 CA PRO A 32 -7.596 9.320 3.331 1.00 0.00 C ATOM 456 C PRO A 32 -6.664 10.339 3.989 1.00 0.00 C ATOM 457 O PRO A 32 -7.056 11.479 4.232 1.00 0.00 O ATOM 458 CB PRO A 32 -8.823 9.008 4.173 1.00 0.00 C ATOM 459 CG PRO A 32 -8.552 7.661 4.822 1.00 0.00 C ATOM 460 CD PRO A 32 -7.366 7.030 4.110 1.00 0.00 C ATOM 0 HA PRO A 32 -7.884 9.780 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.986 9.779 4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.721 8.971 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.338 7.785 5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.429 7.018 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.571 6.778 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.652 6.106 3.607 1.00 0.00 H new ATOM 468 N GLN A 33 -5.446 9.891 4.258 1.00 0.00 N ATOM 469 CA GLN A 33 -4.454 10.750 4.882 1.00 0.00 C ATOM 470 C GLN A 33 -3.671 11.519 3.816 1.00 0.00 C ATOM 471 O GLN A 33 -3.614 12.747 3.848 1.00 0.00 O ATOM 472 CB GLN A 33 -3.513 9.940 5.776 1.00 0.00 C ATOM 473 CG GLN A 33 -4.060 9.842 7.202 1.00 0.00 C ATOM 474 CD GLN A 33 -2.961 9.432 8.184 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.327 8.312 7.850 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -2.705 10.090 9.179 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.124 8.945 4.055 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.972 11.471 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.384 8.940 5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.528 10.408 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.480 10.802 7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.872 9.115 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.231 10.941 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.965 9.789 9.813 1.00 0.00 H new ATOM 485 N VAL A 34 -3.087 10.764 2.897 1.00 0.00 N ATOM 486 CA VAL A 34 -2.310 11.360 1.823 1.00 0.00 C ATOM 487 C VAL A 34 -3.232 12.203 0.939 1.00 0.00 C ATOM 488 O VAL A 34 -2.848 13.279 0.485 1.00 0.00 O ATOM 489 CB VAL A 34 -1.570 10.269 1.046 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.455 9.036 0.854 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.067 10.799 -0.299 1.00 0.00 C ATOM 0 H VAL A 34 -3.136 9.745 2.874 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.548 12.027 2.227 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.702 9.969 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.905 8.276 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.741 8.638 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.351 9.314 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.545 10.004 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.913 11.140 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.384 11.632 -0.130 1.00 0.00 H new ATOM 501 N VAL A 35 -4.430 11.681 0.721 1.00 0.00 N ATOM 502 CA VAL A 35 -5.409 12.372 -0.100 1.00 0.00 C ATOM 503 C VAL A 35 -5.786 13.695 0.568 1.00 0.00 C ATOM 504 O VAL A 35 -5.951 14.711 -0.107 1.00 0.00 O ATOM 505 CB VAL A 35 -6.615 11.464 -0.352 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.671 12.178 -1.198 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.185 10.150 -1.006 1.00 0.00 C ATOM 0 H VAL A 35 -4.745 10.787 1.099 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.988 12.610 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.063 11.227 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.517 11.511 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.010 13.073 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.239 12.459 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.061 9.523 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.701 10.360 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.487 9.629 -0.351 1.00 0.00 H new ATOM 517 N GLY A 36 -5.912 13.641 1.886 1.00 0.00 N ATOM 518 CA GLY A 36 -6.267 14.823 2.653 1.00 0.00 C ATOM 519 C GLY A 36 -5.059 15.359 3.424 1.00 0.00 C ATOM 520 O GLY A 36 -5.214 15.969 4.481 1.00 0.00 O ATOM 0 H GLY A 36 -5.775 12.797 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.647 15.595 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.070 14.581 3.350 1.00 0.00 H new ATOM 524 N PHE A 37 -3.883 15.111 2.866 1.00 0.00 N ATOM 525 CA PHE A 37 -2.650 15.561 3.488 1.00 0.00 C ATOM 526 C PHE A 37 -2.341 17.011 3.110 1.00 0.00 C ATOM 527 O PHE A 37 -2.649 17.446 2.001 1.00 0.00 O ATOM 528 CB PHE A 37 -1.530 14.660 2.964 1.00 0.00 C ATOM 529 CG PHE A 37 -0.122 15.164 3.290 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.171 15.600 4.544 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.836 15.176 2.325 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.477 16.068 4.846 1.00 0.00 C ATOM 533 CE2 PHE A 37 2.142 15.643 2.627 1.00 0.00 C ATOM 534 CZ PHE A 37 2.435 16.080 3.881 1.00 0.00 C ATOM 0 H PHE A 37 -3.758 14.604 1.990 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.741 15.509 4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.654 13.662 3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.630 14.565 1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.590 15.590 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.603 14.830 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.710 16.414 5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.903 15.651 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.428 16.436 4.110 1.00 0.00 H new ATOM 544 N SER A 38 -1.738 17.720 4.052 1.00 0.00 N ATOM 545 CA SER A 38 -1.384 19.112 3.831 1.00 0.00 C ATOM 546 C SER A 38 -0.051 19.428 4.512 1.00 0.00 C ATOM 547 O SER A 38 0.043 19.414 5.738 1.00 0.00 O ATOM 548 CB SER A 38 -2.479 20.047 4.349 1.00 0.00 C ATOM 549 OG SER A 38 -2.711 21.139 3.463 1.00 0.00 O ATOM 0 H SER A 38 -1.485 17.357 4.971 1.00 0.00 H new ATOM 0 HA SER A 38 -1.283 19.273 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.403 19.485 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.195 20.429 5.330 1.00 0.00 H new ATOM 0 HG SER A 38 -3.418 21.712 3.828 1.00 0.00 H new ATOM 555 N GLY A 39 0.948 19.704 3.686 1.00 0.00 N ATOM 556 CA GLY A 39 2.272 20.023 4.192 1.00 0.00 C ATOM 557 C GLY A 39 3.284 20.134 3.050 1.00 0.00 C ATOM 558 O GLY A 39 3.064 20.872 2.091 1.00 0.00 O ATOM 0 H GLY A 39 0.867 19.713 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.237 20.962 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.593 19.252 4.893 1.00 0.00 H new ATOM 562 N LEU A 40 4.371 19.390 3.191 1.00 0.00 N ATOM 563 CA LEU A 40 5.417 19.395 2.183 1.00 0.00 C ATOM 564 C LEU A 40 5.825 17.954 1.870 1.00 0.00 C ATOM 565 O LEU A 40 5.216 17.010 2.370 1.00 0.00 O ATOM 566 CB LEU A 40 6.583 20.282 2.626 1.00 0.00 C ATOM 567 CG LEU A 40 6.459 21.769 2.290 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.258 22.623 3.278 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.865 22.040 0.840 1.00 0.00 C ATOM 0 H LEU A 40 4.550 18.780 3.988 1.00 0.00 H new ATOM 0 HA LEU A 40 5.049 19.831 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.700 20.182 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.497 19.902 2.170 1.00 0.00 H new ATOM 0 HG LEU A 40 5.412 22.055 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.153 23.676 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.881 22.460 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.310 22.342 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.767 23.105 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.900 21.733 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.217 21.476 0.169 1.00 0.00 H new ATOM 581 N SER A 41 6.854 17.830 1.044 1.00 0.00 N ATOM 582 CA SER A 41 7.351 16.520 0.659 1.00 0.00 C ATOM 583 C SER A 41 8.374 16.026 1.683 1.00 0.00 C ATOM 584 O SER A 41 9.015 14.997 1.478 1.00 0.00 O ATOM 585 CB SER A 41 7.973 16.557 -0.738 1.00 0.00 C ATOM 586 OG SER A 41 9.259 17.171 -0.734 1.00 0.00 O ATOM 0 H SER A 41 7.357 18.615 0.631 1.00 0.00 H new ATOM 0 HA SER A 41 6.509 15.828 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.058 15.541 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.314 17.101 -1.414 1.00 0.00 H new ATOM 0 HG SER A 41 9.623 17.174 -1.644 1.00 0.00 H new ATOM 592 N ASP A 42 8.495 16.783 2.764 1.00 0.00 N ATOM 593 CA ASP A 42 9.429 16.435 3.821 1.00 0.00 C ATOM 594 C ASP A 42 9.195 17.350 5.025 1.00 0.00 C ATOM 595 O ASP A 42 10.020 18.212 5.323 1.00 0.00 O ATOM 596 CB ASP A 42 10.876 16.621 3.360 1.00 0.00 C ATOM 597 CG ASP A 42 11.934 16.044 4.302 1.00 0.00 C ATOM 598 OD1 ASP A 42 11.548 15.678 5.433 1.00 0.00 O ATOM 599 OD2 ASP A 42 13.106 15.982 3.871 1.00 0.00 O ATOM 0 H ASP A 42 7.961 17.636 2.930 1.00 0.00 H new ATOM 0 HA ASP A 42 9.266 15.390 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.992 16.157 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.067 17.687 3.233 1.00 0.00 H new ATOM 604 N ASP A 43 8.066 17.130 5.683 1.00 0.00 N ATOM 605 CA ASP A 43 7.713 17.924 6.848 1.00 0.00 C ATOM 606 C ASP A 43 6.206 17.824 7.090 1.00 0.00 C ATOM 607 O ASP A 43 5.497 17.153 6.342 1.00 0.00 O ATOM 608 CB ASP A 43 8.060 19.399 6.635 1.00 0.00 C ATOM 609 CG ASP A 43 9.250 19.908 7.452 1.00 0.00 C ATOM 610 OD1 ASP A 43 9.312 19.549 8.647 1.00 0.00 O ATOM 611 OD2 ASP A 43 10.070 20.644 6.862 1.00 0.00 O ATOM 0 H ASP A 43 7.384 16.414 5.432 1.00 0.00 H new ATOM 0 HA ASP A 43 8.274 17.540 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.270 19.558 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.186 20.002 6.881 1.00 0.00 H new ATOM 616 N LYS A 44 5.761 18.500 8.139 1.00 0.00 N ATOM 617 CA LYS A 44 4.351 18.495 8.489 1.00 0.00 C ATOM 618 C LYS A 44 3.949 17.093 8.951 1.00 0.00 C ATOM 619 O LYS A 44 3.773 16.856 10.145 1.00 0.00 O ATOM 620 CB LYS A 44 3.508 19.025 7.327 1.00 0.00 C ATOM 621 CG LYS A 44 3.106 20.482 7.562 1.00 0.00 C ATOM 622 CD LYS A 44 1.797 20.570 8.349 1.00 0.00 C ATOM 623 CE LYS A 44 2.011 21.272 9.691 1.00 0.00 C ATOM 624 NZ LYS A 44 1.244 20.592 10.759 1.00 0.00 N ATOM 0 H LYS A 44 6.352 19.055 8.758 1.00 0.00 H new ATOM 0 HA LYS A 44 4.164 19.172 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.072 18.945 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.614 18.411 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.897 20.998 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.994 20.991 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.053 21.112 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.402 19.568 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.072 21.274 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.698 22.314 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.400 21.081 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.231 20.612 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.561 19.605 10.840 1.00 0.00 H new ATOM 638 N ASN A 45 3.817 16.200 7.981 1.00 0.00 N ATOM 639 CA ASN A 45 3.440 14.828 8.273 1.00 0.00 C ATOM 640 C ASN A 45 3.566 13.987 7.001 1.00 0.00 C ATOM 641 O ASN A 45 2.669 13.212 6.674 1.00 0.00 O ATOM 642 CB ASN A 45 1.989 14.746 8.752 1.00 0.00 C ATOM 643 CG ASN A 45 1.816 13.632 9.787 1.00 0.00 C ATOM 644 OD1 ASN A 45 2.641 12.744 9.925 1.00 0.00 O ATOM 645 ND2 ASN A 45 0.700 13.727 10.503 1.00 0.00 N ATOM 0 H ASN A 45 3.965 16.400 6.992 1.00 0.00 H new ATOM 0 HA ASN A 45 4.100 14.456 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.691 15.700 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.331 14.563 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.492 13.031 11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.051 14.496 10.337 1.00 0.00 H new ATOM 652 N TYR A 46 4.686 14.170 6.318 1.00 0.00 N ATOM 653 CA TYR A 46 4.941 13.438 5.088 1.00 0.00 C ATOM 654 C TYR A 46 5.822 12.215 5.351 1.00 0.00 C ATOM 655 O TYR A 46 5.541 11.125 4.856 1.00 0.00 O ATOM 656 CB TYR A 46 5.691 14.404 4.170 1.00 0.00 C ATOM 657 CG TYR A 46 6.183 13.769 2.868 1.00 0.00 C ATOM 658 CD1 TYR A 46 7.406 13.130 2.831 1.00 0.00 C ATOM 659 CD2 TYR A 46 5.405 13.836 1.730 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.870 12.533 1.606 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.869 13.238 0.505 1.00 0.00 C ATOM 662 CZ TYR A 46 7.078 12.616 0.503 1.00 0.00 C ATOM 663 OH TYR A 46 7.516 12.052 -0.654 1.00 0.00 O ATOM 0 H TYR A 46 5.428 14.814 6.592 1.00 0.00 H new ATOM 0 HA TYR A 46 4.007 13.086 4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.037 15.242 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.546 14.812 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.015 13.078 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.449 14.337 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.825 12.031 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.270 13.283 -0.392 1.00 0.00 H new ATOM 0 HH TYR A 46 7.393 11.081 -0.612 1.00 0.00 H new ATOM 673 N LYS A 47 6.871 12.437 6.130 1.00 0.00 N ATOM 674 CA LYS A 47 7.795 11.367 6.464 1.00 0.00 C ATOM 675 C LYS A 47 7.006 10.155 6.963 1.00 0.00 C ATOM 676 O LYS A 47 7.177 9.047 6.456 1.00 0.00 O ATOM 677 CB LYS A 47 8.852 11.862 7.453 1.00 0.00 C ATOM 678 CG LYS A 47 9.672 13.006 6.853 1.00 0.00 C ATOM 679 CD LYS A 47 10.502 12.520 5.663 1.00 0.00 C ATOM 680 CE LYS A 47 11.997 12.726 5.917 1.00 0.00 C ATOM 681 NZ LYS A 47 12.758 11.516 5.535 1.00 0.00 N ATOM 0 H LYS A 47 7.101 13.342 6.539 1.00 0.00 H new ATOM 0 HA LYS A 47 8.344 11.048 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.368 12.199 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.514 11.040 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.006 13.807 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.331 13.424 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.302 11.464 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.205 13.059 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.354 13.583 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.165 12.952 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.771 11.672 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.428 10.706 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.611 11.318 4.525 1.00 0.00 H new ATOM 695 N ARG A 48 6.159 10.406 7.951 1.00 0.00 N ATOM 696 CA ARG A 48 5.343 9.349 8.523 1.00 0.00 C ATOM 697 C ARG A 48 4.521 8.662 7.431 1.00 0.00 C ATOM 698 O ARG A 48 4.757 7.498 7.112 1.00 0.00 O ATOM 699 CB ARG A 48 4.398 9.901 9.592 1.00 0.00 C ATOM 700 CG ARG A 48 3.839 8.774 10.465 1.00 0.00 C ATOM 701 CD ARG A 48 4.391 8.859 11.889 1.00 0.00 C ATOM 702 NE ARG A 48 5.618 8.040 12.006 1.00 0.00 N ATOM 703 CZ ARG A 48 6.326 7.904 13.136 1.00 0.00 C ATOM 704 NH1 ARG A 48 5.933 8.533 14.252 1.00 0.00 N ATOM 705 NH2 ARG A 48 7.426 7.140 13.150 1.00 0.00 N ATOM 0 H ARG A 48 6.021 11.326 8.370 1.00 0.00 H new ATOM 0 HA ARG A 48 6.014 8.626 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.929 10.620 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.578 10.438 9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.751 8.833 10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.096 7.809 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.611 9.896 12.141 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.642 8.510 12.600 1.00 0.00 H new ATOM 0 HE ARG A 48 5.945 7.548 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.095 9.115 14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.471 8.430 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.725 6.661 12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.964 7.037 14.010 1.00 0.00 H new ATOM 719 N LEU A 49 3.573 9.411 6.888 1.00 0.00 N ATOM 720 CA LEU A 49 2.715 8.889 5.839 1.00 0.00 C ATOM 721 C LEU A 49 3.560 8.086 4.848 1.00 0.00 C ATOM 722 O LEU A 49 3.270 6.921 4.581 1.00 0.00 O ATOM 723 CB LEU A 49 1.914 10.019 5.189 1.00 0.00 C ATOM 724 CG LEU A 49 0.876 10.704 6.081 1.00 0.00 C ATOM 725 CD1 LEU A 49 -0.097 11.540 5.247 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.148 9.683 6.958 1.00 0.00 C ATOM 0 H LEU A 49 3.380 10.376 7.155 1.00 0.00 H new ATOM 0 HA LEU A 49 1.976 8.205 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.614 10.775 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.404 9.619 4.313 1.00 0.00 H new ATOM 0 HG LEU A 49 1.398 11.389 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.824 12.016 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.455 12.306 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.617 10.895 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.584 10.196 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.361 8.956 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.869 9.169 7.593 1.00 0.00 H new ATOM 738 N GLU A 50 4.588 8.741 4.329 1.00 0.00 N ATOM 739 CA GLU A 50 5.477 8.102 3.374 1.00 0.00 C ATOM 740 C GLU A 50 6.058 6.816 3.966 1.00 0.00 C ATOM 741 O GLU A 50 5.989 5.757 3.345 1.00 0.00 O ATOM 742 CB GLU A 50 6.591 9.057 2.938 1.00 0.00 C ATOM 743 CG GLU A 50 7.551 8.371 1.964 1.00 0.00 C ATOM 744 CD GLU A 50 8.358 9.402 1.173 1.00 0.00 C ATOM 745 OE1 GLU A 50 9.429 9.797 1.682 1.00 0.00 O ATOM 746 OE2 GLU A 50 7.886 9.773 0.077 1.00 0.00 O ATOM 0 H GLU A 50 4.825 9.708 4.552 1.00 0.00 H new ATOM 0 HA GLU A 50 4.899 7.841 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.156 9.938 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.141 9.404 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.228 7.718 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.988 7.739 1.277 1.00 0.00 H new ATOM 753 N ARG A 51 6.616 6.952 5.160 1.00 0.00 N ATOM 754 CA ARG A 51 7.207 5.814 5.842 1.00 0.00 C ATOM 755 C ARG A 51 6.211 4.654 5.903 1.00 0.00 C ATOM 756 O ARG A 51 6.590 3.496 5.733 1.00 0.00 O ATOM 757 CB ARG A 51 7.634 6.185 7.264 1.00 0.00 C ATOM 758 CG ARG A 51 8.953 6.960 7.256 1.00 0.00 C ATOM 759 CD ARG A 51 10.149 6.007 7.276 1.00 0.00 C ATOM 760 NE ARG A 51 11.409 6.778 7.364 1.00 0.00 N ATOM 761 CZ ARG A 51 11.819 7.424 8.464 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.071 7.396 9.575 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.977 8.098 8.453 1.00 0.00 N ATOM 0 H ARG A 51 6.671 7.832 5.672 1.00 0.00 H new ATOM 0 HA ARG A 51 8.088 5.511 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.857 6.787 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.743 5.280 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.002 7.592 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.996 7.621 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.069 5.327 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.151 5.393 6.375 1.00 0.00 H new ATOM 0 HE ARG A 51 12.002 6.820 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.189 6.883 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.383 7.888 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.547 8.119 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.289 8.590 9.290 1.00 0.00 H new ATOM 777 N ILE A 52 4.957 5.005 6.145 1.00 0.00 N ATOM 778 CA ILE A 52 3.903 4.008 6.229 1.00 0.00 C ATOM 779 C ILE A 52 3.760 3.308 4.877 1.00 0.00 C ATOM 780 O ILE A 52 3.810 2.081 4.800 1.00 0.00 O ATOM 781 CB ILE A 52 2.605 4.641 6.734 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.810 5.293 8.103 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.467 3.620 6.750 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.717 6.326 8.388 1.00 0.00 C ATOM 0 H ILE A 52 4.647 5.966 6.286 1.00 0.00 H new ATOM 0 HA ILE A 52 4.162 3.241 6.959 1.00 0.00 H new ATOM 0 HB ILE A 52 2.318 5.431 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.803 4.528 8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.788 5.774 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.556 4.096 7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.302 3.243 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.730 2.792 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.886 6.774 9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.742 7.103 7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.743 5.837 8.376 1.00 0.00 H new ATOM 796 N LEU A 53 3.584 4.117 3.843 1.00 0.00 N ATOM 797 CA LEU A 53 3.434 3.591 2.497 1.00 0.00 C ATOM 798 C LEU A 53 4.703 2.831 2.106 1.00 0.00 C ATOM 799 O LEU A 53 4.635 1.682 1.673 1.00 0.00 O ATOM 800 CB LEU A 53 3.061 4.710 1.522 1.00 0.00 C ATOM 801 CG LEU A 53 1.631 5.243 1.628 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.435 6.468 0.733 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.612 4.143 1.326 1.00 0.00 C ATOM 0 H LEU A 53 3.542 5.134 3.910 1.00 0.00 H new ATOM 0 HA LEU A 53 2.611 2.878 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.750 5.541 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.218 4.347 0.506 1.00 0.00 H new ATOM 0 HG LEU A 53 1.462 5.565 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.410 6.827 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.125 7.255 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.630 6.196 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.396 4.549 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.771 3.768 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.735 3.328 2.039 1.00 0.00 H new ATOM 815 N THR A 54 5.832 3.505 2.272 1.00 0.00 N ATOM 816 CA THR A 54 7.115 2.908 1.941 1.00 0.00 C ATOM 817 C THR A 54 7.327 1.623 2.743 1.00 0.00 C ATOM 818 O THR A 54 7.728 0.600 2.190 1.00 0.00 O ATOM 819 CB THR A 54 8.200 3.960 2.179 1.00 0.00 C ATOM 820 OG1 THR A 54 9.128 3.746 1.119 1.00 0.00 O ATOM 821 CG2 THR A 54 9.013 3.686 3.446 1.00 0.00 C ATOM 0 H THR A 54 5.885 4.458 2.631 1.00 0.00 H new ATOM 0 HA THR A 54 7.155 2.610 0.893 1.00 0.00 H new ATOM 0 HB THR A 54 7.741 4.946 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.865 4.388 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.769 4.462 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.350 3.686 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.500 2.714 3.363 1.00 0.00 H new ATOM 829 N LYS A 55 7.050 1.717 4.036 1.00 0.00 N ATOM 830 CA LYS A 55 7.206 0.574 4.920 1.00 0.00 C ATOM 831 C LYS A 55 6.245 -0.535 4.487 1.00 0.00 C ATOM 832 O LYS A 55 6.635 -1.698 4.396 1.00 0.00 O ATOM 833 CB LYS A 55 7.036 0.999 6.380 1.00 0.00 C ATOM 834 CG LYS A 55 7.116 -0.209 7.315 1.00 0.00 C ATOM 835 CD LYS A 55 5.726 -0.789 7.582 1.00 0.00 C ATOM 836 CE LYS A 55 5.699 -2.294 7.310 1.00 0.00 C ATOM 837 NZ LYS A 55 4.912 -2.995 8.350 1.00 0.00 N ATOM 0 H LYS A 55 6.719 2.567 4.492 1.00 0.00 H new ATOM 0 HA LYS A 55 8.215 0.169 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.809 1.720 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.076 1.499 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.754 -0.974 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.578 0.086 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.441 -0.598 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.992 -0.288 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.266 -2.484 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.717 -2.684 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.171 -4.002 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.114 -2.575 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.898 -2.901 8.140 1.00 0.00 H new ATOM 851 N GLN A 56 5.008 -0.136 4.231 1.00 0.00 N ATOM 852 CA GLN A 56 3.988 -1.082 3.810 1.00 0.00 C ATOM 853 C GLN A 56 4.389 -1.741 2.489 1.00 0.00 C ATOM 854 O GLN A 56 4.383 -2.966 2.375 1.00 0.00 O ATOM 855 CB GLN A 56 2.624 -0.400 3.690 1.00 0.00 C ATOM 856 CG GLN A 56 2.088 -0.001 5.066 1.00 0.00 C ATOM 857 CD GLN A 56 1.029 -0.993 5.551 1.00 0.00 C ATOM 858 OE1 GLN A 56 0.214 -1.491 4.792 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.086 -1.252 6.855 1.00 0.00 N ATOM 0 H GLN A 56 4.689 0.830 4.307 1.00 0.00 H new ATOM 0 HA GLN A 56 3.904 -1.858 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.710 0.484 3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.919 -1.073 3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.909 0.039 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.659 1.000 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.794 -0.801 7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.422 -1.902 7.275 1.00 0.00 H new ATOM 868 N LEU A 57 4.729 -0.900 1.523 1.00 0.00 N ATOM 869 CA LEU A 57 5.132 -1.386 0.214 1.00 0.00 C ATOM 870 C LEU A 57 6.233 -2.435 0.382 1.00 0.00 C ATOM 871 O LEU A 57 6.124 -3.543 -0.140 1.00 0.00 O ATOM 872 CB LEU A 57 5.527 -0.218 -0.692 1.00 0.00 C ATOM 873 CG LEU A 57 6.233 -0.592 -1.997 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.720 -0.860 -1.759 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.539 -1.774 -2.677 1.00 0.00 C ATOM 0 H LEU A 57 4.734 0.115 1.621 1.00 0.00 H new ATOM 0 HA LEU A 57 4.297 -1.877 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.627 0.346 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.178 0.450 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 57 6.164 0.257 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.198 -1.124 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.190 0.035 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.833 -1.683 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.061 -2.019 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.555 -2.637 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.506 -1.509 -2.902 1.00 0.00 H new ATOM 887 N PHE A 58 7.269 -2.047 1.111 1.00 0.00 N ATOM 888 CA PHE A 58 8.389 -2.940 1.354 1.00 0.00 C ATOM 889 C PHE A 58 7.908 -4.290 1.890 1.00 0.00 C ATOM 890 O PHE A 58 8.576 -5.307 1.710 1.00 0.00 O ATOM 891 CB PHE A 58 9.274 -2.272 2.408 1.00 0.00 C ATOM 892 CG PHE A 58 10.773 -2.483 2.186 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.277 -3.743 2.099 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.602 -1.410 2.076 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.668 -3.939 1.893 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.993 -1.606 1.870 1.00 0.00 C ATOM 897 CZ PHE A 58 13.497 -2.866 1.783 1.00 0.00 C ATOM 0 H PHE A 58 7.356 -1.126 1.541 1.00 0.00 H new ATOM 0 HA PHE A 58 8.929 -3.120 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.066 -1.202 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.005 -2.658 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.619 -4.595 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.202 -0.409 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.068 -4.940 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.651 -0.754 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.555 -3.015 1.627 1.00 0.00 H new ATOM 907 N GLU A 59 6.753 -4.255 2.539 1.00 0.00 N ATOM 908 CA GLU A 59 6.175 -5.463 3.103 1.00 0.00 C ATOM 909 C GLU A 59 5.446 -6.259 2.019 1.00 0.00 C ATOM 910 O GLU A 59 5.393 -7.486 2.074 1.00 0.00 O ATOM 911 CB GLU A 59 5.236 -5.131 4.265 1.00 0.00 C ATOM 912 CG GLU A 59 5.968 -5.225 5.605 1.00 0.00 C ATOM 913 CD GLU A 59 5.914 -6.649 6.161 1.00 0.00 C ATOM 914 OE1 GLU A 59 6.307 -7.567 5.409 1.00 0.00 O ATOM 915 OE2 GLU A 59 5.480 -6.788 7.325 1.00 0.00 O ATOM 0 H GLU A 59 6.202 -3.409 2.687 1.00 0.00 H new ATOM 0 HA GLU A 59 6.983 -6.079 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.833 -4.126 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.389 -5.817 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.007 -4.920 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.518 -4.535 6.319 1.00 0.00 H new ATOM 922 N ILE A 60 4.901 -5.527 1.058 1.00 0.00 N ATOM 923 CA ILE A 60 4.177 -6.149 -0.037 1.00 0.00 C ATOM 924 C ILE A 60 5.127 -7.057 -0.820 1.00 0.00 C ATOM 925 O ILE A 60 4.770 -8.181 -1.169 1.00 0.00 O ATOM 926 CB ILE A 60 3.492 -5.086 -0.899 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.588 -4.191 -0.049 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.733 -5.729 -2.061 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.897 -3.133 -0.912 1.00 0.00 C ATOM 0 H ILE A 60 4.947 -4.509 1.015 1.00 0.00 H new ATOM 0 HA ILE A 60 3.375 -6.780 0.346 1.00 0.00 H new ATOM 0 HB ILE A 60 4.262 -4.448 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.838 -4.800 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.178 -3.704 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.255 -4.952 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.429 -6.289 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.973 -6.405 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.260 -2.510 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.649 -2.511 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.288 -3.624 -1.672 1.00 0.00 H new ATOM 941 N ASP A 61 6.318 -6.535 -1.074 1.00 0.00 N ATOM 942 CA ASP A 61 7.322 -7.285 -1.810 1.00 0.00 C ATOM 943 C ASP A 61 7.742 -8.507 -0.991 1.00 0.00 C ATOM 944 O ASP A 61 8.192 -9.507 -1.547 1.00 0.00 O ATOM 945 CB ASP A 61 8.569 -6.434 -2.063 1.00 0.00 C ATOM 946 CG ASP A 61 9.453 -6.910 -3.217 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.290 -8.086 -3.609 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.272 -6.088 -3.681 1.00 0.00 O ATOM 0 H ASP A 61 6.610 -5.602 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 61 6.888 -7.583 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.257 -5.409 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.167 -6.413 -1.152 1.00 0.00 H new ATOM 953 N SER A 62 7.580 -8.386 0.319 1.00 0.00 N ATOM 954 CA SER A 62 7.936 -9.468 1.220 1.00 0.00 C ATOM 955 C SER A 62 6.923 -10.608 1.095 1.00 0.00 C ATOM 956 O SER A 62 7.288 -11.780 1.184 1.00 0.00 O ATOM 957 CB SER A 62 8.008 -8.978 2.668 1.00 0.00 C ATOM 958 OG SER A 62 9.019 -9.655 3.411 1.00 0.00 O ATOM 0 H SER A 62 7.207 -7.555 0.777 1.00 0.00 H new ATOM 0 HA SER A 62 8.923 -9.835 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.207 -7.906 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.042 -9.128 3.150 1.00 0.00 H new ATOM 0 HG SER A 62 9.034 -9.313 4.329 1.00 0.00 H new ATOM 964 N VAL A 63 5.672 -10.225 0.891 1.00 0.00 N ATOM 965 CA VAL A 63 4.603 -11.200 0.753 1.00 0.00 C ATOM 966 C VAL A 63 4.912 -12.125 -0.426 1.00 0.00 C ATOM 967 O VAL A 63 4.995 -11.675 -1.568 1.00 0.00 O ATOM 968 CB VAL A 63 3.257 -10.486 0.616 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.180 -11.442 0.098 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.835 -9.852 1.943 1.00 0.00 C ATOM 0 H VAL A 63 5.374 -9.252 0.818 1.00 0.00 H new ATOM 0 HA VAL A 63 4.536 -11.822 1.646 1.00 0.00 H new ATOM 0 HB VAL A 63 3.375 -9.686 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.233 -10.910 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.473 -11.825 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.066 -12.273 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.875 -9.351 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.743 -10.627 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.586 -9.125 2.254 1.00 0.00 H new ATOM 980 N ASP A 64 5.075 -13.401 -0.109 1.00 0.00 N ATOM 981 CA ASP A 64 5.373 -14.394 -1.128 1.00 0.00 C ATOM 982 C ASP A 64 4.086 -14.761 -1.868 1.00 0.00 C ATOM 983 O ASP A 64 3.002 -14.734 -1.286 1.00 0.00 O ATOM 984 CB ASP A 64 5.941 -15.670 -0.504 1.00 0.00 C ATOM 985 CG ASP A 64 6.659 -16.603 -1.481 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.841 -16.320 -1.772 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.009 -17.579 -1.915 1.00 0.00 O ATOM 0 H ASP A 64 5.006 -13.771 0.839 1.00 0.00 H new ATOM 0 HA ASP A 64 6.109 -13.968 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.637 -15.391 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.126 -16.220 -0.032 1.00 0.00 H new ATOM 992 N THR A 65 4.247 -15.095 -3.140 1.00 0.00 N ATOM 993 CA THR A 65 3.111 -15.468 -3.965 1.00 0.00 C ATOM 994 C THR A 65 3.114 -16.975 -4.229 1.00 0.00 C ATOM 995 O THR A 65 2.094 -17.641 -4.056 1.00 0.00 O ATOM 996 CB THR A 65 3.160 -14.628 -5.243 1.00 0.00 C ATOM 997 OG1 THR A 65 4.420 -14.951 -5.824 1.00 0.00 O ATOM 998 CG2 THR A 65 3.257 -13.128 -4.955 1.00 0.00 C ATOM 0 H THR A 65 5.147 -15.115 -3.619 1.00 0.00 H new ATOM 0 HA THR A 65 2.169 -15.261 -3.457 1.00 0.00 H new ATOM 0 HB THR A 65 2.270 -14.827 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.533 -14.451 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.289 -12.578 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.388 -12.811 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.164 -12.925 -4.385 1.00 0.00 H new ATOM 1006 N GLU A 66 4.272 -17.469 -4.642 1.00 0.00 N ATOM 1007 CA GLU A 66 4.421 -18.885 -4.931 1.00 0.00 C ATOM 1008 C GLU A 66 3.606 -19.263 -6.169 1.00 0.00 C ATOM 1009 O GLU A 66 3.177 -20.407 -6.309 1.00 0.00 O ATOM 1010 CB GLU A 66 4.014 -19.736 -3.726 1.00 0.00 C ATOM 1011 CG GLU A 66 5.209 -20.519 -3.179 1.00 0.00 C ATOM 1012 CD GLU A 66 4.774 -21.889 -2.656 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.108 -21.907 -1.598 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.117 -22.887 -3.325 1.00 0.00 O ATOM 0 H GLU A 66 5.116 -16.914 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 66 5.472 -19.085 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.606 -19.095 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.223 -20.428 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.955 -20.645 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.683 -19.953 -2.377 1.00 0.00 H new ATOM 1021 N GLY A 67 3.417 -18.279 -7.036 1.00 0.00 N ATOM 1022 CA GLY A 67 2.661 -18.494 -8.259 1.00 0.00 C ATOM 1023 C GLY A 67 1.186 -18.761 -7.951 1.00 0.00 C ATOM 1024 O GLY A 67 0.643 -19.794 -8.343 1.00 0.00 O ATOM 0 H GLY A 67 3.774 -17.331 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.749 -17.620 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.081 -19.338 -8.807 1.00 0.00 H new ATOM 1028 N LYS A 68 0.579 -17.813 -7.253 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.823 -17.933 -6.889 1.00 0.00 C ATOM 1030 C LYS A 68 -1.549 -16.633 -7.241 1.00 0.00 C ATOM 1031 O LYS A 68 -1.568 -15.693 -6.448 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.962 -18.336 -5.420 1.00 0.00 C ATOM 1033 CG LYS A 68 -0.002 -19.475 -5.071 1.00 0.00 C ATOM 1034 CD LYS A 68 0.075 -19.684 -3.557 1.00 0.00 C ATOM 1035 CE LYS A 68 -0.166 -21.151 -3.193 1.00 0.00 C ATOM 1036 NZ LYS A 68 -1.496 -21.591 -3.668 1.00 0.00 N ATOM 0 H LYS A 68 1.032 -16.958 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.299 -18.730 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.758 -17.476 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.988 -18.646 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.334 -20.395 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.991 -19.251 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.053 -19.371 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.666 -19.056 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.610 -21.774 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.098 -21.280 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.893 -22.281 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.130 -20.769 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.401 -22.033 -4.605 1.00 0.00 H new ATOM 1050 N GLY A 69 -2.130 -16.621 -8.432 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.857 -15.453 -8.899 1.00 0.00 C ATOM 1052 C GLY A 69 -3.629 -14.794 -7.754 1.00 0.00 C ATOM 1053 O GLY A 69 -3.425 -13.617 -7.460 1.00 0.00 O ATOM 0 H GLY A 69 -2.112 -17.402 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.160 -14.736 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.549 -15.743 -9.690 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.499 -15.581 -7.140 1.00 0.00 N ATOM 1058 CA ASP A 70 -5.303 -15.089 -6.034 1.00 0.00 C ATOM 1059 C ASP A 70 -4.466 -14.126 -5.189 1.00 0.00 C ATOM 1060 O ASP A 70 -4.962 -13.091 -4.746 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.759 -16.236 -5.130 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.903 -17.084 -5.689 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -8.045 -16.577 -5.673 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.609 -18.220 -6.119 1.00 0.00 O ATOM 0 H ASP A 70 -4.665 -16.557 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.177 -14.589 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.906 -16.886 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.069 -15.821 -4.171 1.00 0.00 H new ATOM 1069 N ILE A 71 -3.210 -14.501 -4.992 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.299 -13.684 -4.209 1.00 0.00 C ATOM 1071 C ILE A 71 -1.596 -12.685 -5.130 1.00 0.00 C ATOM 1072 O ILE A 71 -1.713 -11.475 -4.945 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.338 -14.567 -3.411 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -2.098 -15.444 -2.415 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.259 -13.725 -2.727 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.147 -16.395 -1.685 1.00 0.00 C ATOM 0 H ILE A 71 -2.802 -15.360 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.849 -13.103 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.831 -15.236 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.615 -14.814 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.861 -16.019 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.411 -14.377 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.311 -13.181 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.729 -13.016 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.713 -17.007 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.650 -17.040 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.400 -15.816 -1.142 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.881 -13.229 -6.104 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.159 -12.401 -7.055 1.00 0.00 C ATOM 1090 C GLN A 72 -0.988 -11.169 -7.422 1.00 0.00 C ATOM 1091 O GLN A 72 -0.449 -10.070 -7.549 1.00 0.00 O ATOM 1092 CB GLN A 72 0.217 -13.201 -8.304 1.00 0.00 C ATOM 1093 CG GLN A 72 1.716 -13.099 -8.590 1.00 0.00 C ATOM 1094 CD GLN A 72 1.970 -12.582 -10.008 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.986 -11.390 -10.268 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.167 -13.542 -10.907 1.00 0.00 N ATOM 0 H GLN A 72 -0.786 -14.233 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 72 0.766 -12.066 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.060 -14.246 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.346 -12.831 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.183 -12.431 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.181 -14.077 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.140 -14.521 -10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.345 -13.299 -11.882 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.284 -11.393 -7.582 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.192 -10.314 -7.932 1.00 0.00 C ATOM 1107 C GLN A 73 -3.259 -9.288 -6.799 1.00 0.00 C ATOM 1108 O GLN A 73 -2.987 -8.107 -7.009 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.584 -10.855 -8.265 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.870 -10.747 -9.764 1.00 0.00 C ATOM 1111 CD GLN A 73 -6.319 -11.126 -10.074 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.712 -12.280 -10.016 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.089 -10.094 -10.406 1.00 0.00 N ATOM 0 H GLN A 73 -2.727 -12.306 -7.476 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.809 -9.817 -8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.658 -11.896 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.337 -10.299 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.676 -9.729 -10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.194 -11.400 -10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.696 -9.153 -10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.073 -10.243 -10.631 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.622 -9.776 -5.622 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.728 -8.917 -4.456 1.00 0.00 C ATOM 1124 C ALA A 74 -2.403 -8.182 -4.246 1.00 0.00 C ATOM 1125 O ALA A 74 -2.379 -6.958 -4.126 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.130 -9.753 -3.239 1.00 0.00 C ATOM 0 H ALA A 74 -3.846 -10.756 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.502 -8.164 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.209 -9.107 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.092 -10.230 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.375 -10.518 -3.058 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.331 -8.961 -4.209 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.005 -8.400 -4.016 1.00 0.00 C ATOM 1134 C ARG A 75 0.256 -7.290 -5.037 1.00 0.00 C ATOM 1135 O ARG A 75 0.327 -6.116 -4.677 1.00 0.00 O ATOM 1136 CB ARG A 75 1.074 -9.475 -4.157 1.00 0.00 C ATOM 1137 CG ARG A 75 2.270 -9.174 -3.251 1.00 0.00 C ATOM 1138 CD ARG A 75 3.578 -9.632 -3.900 1.00 0.00 C ATOM 1139 NE ARG A 75 4.481 -8.475 -4.090 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.450 -7.666 -5.158 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.563 -7.883 -6.138 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.308 -6.640 -5.246 1.00 0.00 N ATOM 0 H ARG A 75 -1.354 -9.976 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 75 0.037 -7.989 -3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.657 -10.449 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.404 -9.530 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.316 -8.104 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.140 -9.676 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.061 -10.382 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.371 -10.104 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 75 5.170 -8.281 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.911 -8.664 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.540 -7.267 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.984 -6.475 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.285 -6.024 -6.059 1.00 0.00 H new ATOM 1156 N LYS A 76 0.390 -7.701 -6.289 1.00 0.00 N ATOM 1157 CA LYS A 76 0.641 -6.756 -7.364 1.00 0.00 C ATOM 1158 C LYS A 76 -0.391 -5.628 -7.297 1.00 0.00 C ATOM 1159 O LYS A 76 -0.094 -4.488 -7.653 1.00 0.00 O ATOM 1160 CB LYS A 76 0.676 -7.476 -8.713 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.734 -7.646 -9.282 1.00 0.00 C ATOM 1162 CD LYS A 76 -1.034 -6.575 -10.332 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.371 -7.211 -11.683 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.635 -6.656 -12.216 1.00 0.00 N ATOM 0 H LYS A 76 0.330 -8.676 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 76 1.623 -6.298 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.289 -6.911 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.145 -8.453 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.833 -8.636 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.465 -7.585 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.868 -5.957 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.173 -5.916 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.561 -7.030 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.460 -8.292 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.849 -7.098 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.408 -6.851 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.537 -5.628 -12.342 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.581 -5.984 -6.837 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.658 -5.016 -6.718 1.00 0.00 C ATOM 1180 C ARG A 77 -2.336 -3.995 -5.624 1.00 0.00 C ATOM 1181 O ARG A 77 -2.675 -2.819 -5.748 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.984 -5.704 -6.389 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.681 -6.188 -7.662 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.632 -5.120 -8.206 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.139 -4.618 -9.508 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.850 -3.832 -10.328 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.089 -3.454 -9.986 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.321 -3.425 -11.490 1.00 0.00 N ATOM 0 H ARG A 77 -1.823 -6.930 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.754 -4.508 -7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.804 -6.549 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.634 -5.011 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.935 -6.435 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.237 -7.102 -7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.632 -5.538 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.712 -4.297 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.199 -4.887 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.491 -3.764 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.630 -2.856 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.378 -3.714 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.862 -2.827 -12.115 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.685 -4.482 -4.578 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.314 -3.628 -3.463 1.00 0.00 C ATOM 1204 C ALA A 78 -0.022 -2.883 -3.806 1.00 0.00 C ATOM 1205 O ALA A 78 0.124 -1.705 -3.483 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.181 -4.472 -2.194 1.00 0.00 C ATOM 0 H ALA A 78 -1.405 -5.458 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.087 -2.882 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.903 -3.831 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.133 -4.957 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.412 -5.231 -2.341 1.00 0.00 H new ATOM 1212 N ALA A 79 0.883 -3.601 -4.456 1.00 0.00 N ATOM 1213 CA ALA A 79 2.158 -3.023 -4.845 1.00 0.00 C ATOM 1214 C ALA A 79 1.909 -1.767 -5.683 1.00 0.00 C ATOM 1215 O ALA A 79 2.734 -0.855 -5.703 1.00 0.00 O ATOM 1216 CB ALA A 79 2.985 -4.069 -5.595 1.00 0.00 C ATOM 0 H ALA A 79 0.758 -4.578 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 79 2.729 -2.725 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.942 -3.636 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.159 -4.928 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.445 -4.389 -6.486 1.00 0.00 H new ATOM 1222 N GLN A 80 0.767 -1.760 -6.355 1.00 0.00 N ATOM 1223 CA GLN A 80 0.398 -0.631 -7.193 1.00 0.00 C ATOM 1224 C GLN A 80 -0.382 0.403 -6.378 1.00 0.00 C ATOM 1225 O GLN A 80 -0.099 1.597 -6.450 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.407 -1.091 -8.410 1.00 0.00 C ATOM 1227 CG GLN A 80 0.470 -1.889 -9.377 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.307 -2.260 -10.642 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.794 -3.367 -10.800 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.394 -1.275 -11.531 1.00 0.00 N ATOM 0 H GLN A 80 0.085 -2.518 -6.336 1.00 0.00 H new ATOM 0 HA GLN A 80 1.311 -0.162 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.247 -1.705 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.825 -0.225 -8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.349 -1.303 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.828 -2.794 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.037 -0.372 -11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.892 -1.423 -12.409 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.349 -0.095 -5.621 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.173 0.770 -4.794 1.00 0.00 C ATOM 1241 C GLU A 81 -1.293 1.615 -3.871 1.00 0.00 C ATOM 1242 O GLU A 81 -1.293 2.842 -3.960 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.188 -0.045 -3.989 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.613 0.220 -4.477 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.813 -0.306 -5.900 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.919 -1.544 -6.037 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -4.854 0.541 -6.818 1.00 0.00 O ATOM 0 H GLU A 81 -1.580 -1.087 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.732 1.441 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.960 -1.107 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.108 0.210 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.326 -0.258 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.817 1.290 -4.449 1.00 0.00 H new ATOM 1254 N THR A 82 -0.565 0.925 -3.005 1.00 0.00 N ATOM 1255 CA THR A 82 0.318 1.598 -2.066 1.00 0.00 C ATOM 1256 C THR A 82 1.227 2.584 -2.802 1.00 0.00 C ATOM 1257 O THR A 82 1.469 3.689 -2.319 1.00 0.00 O ATOM 1258 CB THR A 82 1.085 0.526 -1.289 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.191 0.145 -0.247 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.297 1.096 -0.549 1.00 0.00 C ATOM 0 H THR A 82 -0.568 -0.092 -2.934 1.00 0.00 H new ATOM 0 HA THR A 82 -0.246 2.197 -1.351 1.00 0.00 H new ATOM 0 HB THR A 82 1.412 -0.256 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.139 -0.762 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.806 0.295 -0.014 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.983 1.546 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.966 1.854 0.161 1.00 0.00 H new ATOM 1268 N GLU A 83 1.707 2.148 -3.957 1.00 0.00 N ATOM 1269 CA GLU A 83 2.585 2.978 -4.764 1.00 0.00 C ATOM 1270 C GLU A 83 1.787 4.098 -5.436 1.00 0.00 C ATOM 1271 O GLU A 83 2.350 5.121 -5.821 1.00 0.00 O ATOM 1272 CB GLU A 83 3.332 2.139 -5.802 1.00 0.00 C ATOM 1273 CG GLU A 83 4.336 1.200 -5.129 1.00 0.00 C ATOM 1274 CD GLU A 83 5.573 1.968 -4.658 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.498 2.539 -3.548 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.565 1.966 -5.417 1.00 0.00 O ATOM 0 H GLU A 83 1.504 1.230 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 83 3.328 3.431 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.619 1.557 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.853 2.796 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.865 0.706 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.633 0.418 -5.828 1.00 0.00 H new ATOM 1283 N ARG A 84 0.488 3.865 -5.556 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.393 4.841 -6.174 1.00 0.00 C ATOM 1285 C ARG A 84 -0.575 6.050 -5.254 1.00 0.00 C ATOM 1286 O ARG A 84 -0.479 7.193 -5.698 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.762 4.231 -6.481 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.233 4.619 -7.884 1.00 0.00 C ATOM 1289 CD ARG A 84 -1.660 3.669 -8.937 1.00 0.00 C ATOM 1290 NE ARG A 84 -0.442 4.257 -9.540 1.00 0.00 N ATOM 1291 CZ ARG A 84 0.335 3.625 -10.430 1.00 0.00 C ATOM 1292 NH1 ARG A 84 0.027 2.383 -10.827 1.00 0.00 N ATOM 1293 NH2 ARG A 84 1.421 4.236 -10.923 1.00 0.00 N ATOM 0 H ARG A 84 0.025 3.015 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 84 0.068 5.158 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.707 3.145 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.489 4.570 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.322 4.598 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.925 5.641 -8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.422 2.708 -8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.404 3.479 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.178 5.202 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.800 1.918 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.619 1.903 -11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.656 5.181 -10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.013 3.756 -11.601 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.836 5.756 -3.989 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.033 6.805 -3.002 1.00 0.00 C ATOM 1309 C LEU A 85 0.283 7.558 -2.796 1.00 0.00 C ATOM 1310 O LEU A 85 0.314 8.787 -2.854 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.617 6.224 -1.713 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.138 6.062 -1.680 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.546 4.901 -0.770 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.821 7.371 -1.279 1.00 0.00 C ATOM 0 H LEU A 85 -0.916 4.807 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.764 7.531 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.164 5.248 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.322 6.865 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.477 5.817 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.632 4.807 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.104 3.976 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.193 5.092 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.901 7.228 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.480 7.670 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.568 8.149 -2.000 1.00 0.00 H new ATOM 1326 N LEU A 86 1.337 6.791 -2.560 1.00 0.00 N ATOM 1327 CA LEU A 86 2.651 7.371 -2.345 1.00 0.00 C ATOM 1328 C LEU A 86 2.891 8.476 -3.376 1.00 0.00 C ATOM 1329 O LEU A 86 3.477 9.510 -3.058 1.00 0.00 O ATOM 1330 CB LEU A 86 3.725 6.282 -2.350 1.00 0.00 C ATOM 1331 CG LEU A 86 4.589 6.185 -1.091 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.405 4.891 -1.084 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.476 7.423 -0.939 1.00 0.00 C ATOM 0 H LEU A 86 1.307 5.773 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 86 2.706 7.835 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.238 5.320 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.381 6.450 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 86 3.928 6.153 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.010 4.847 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.730 4.035 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.057 4.867 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.080 7.329 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.130 7.510 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.850 8.312 -0.866 1.00 0.00 H new ATOM 1345 N LYS A 87 2.426 8.220 -4.590 1.00 0.00 N ATOM 1346 CA LYS A 87 2.583 9.180 -5.669 1.00 0.00 C ATOM 1347 C LYS A 87 1.886 10.487 -5.288 1.00 0.00 C ATOM 1348 O LYS A 87 2.452 11.567 -5.452 1.00 0.00 O ATOM 1349 CB LYS A 87 2.093 8.584 -6.991 1.00 0.00 C ATOM 1350 CG LYS A 87 2.937 7.372 -7.392 1.00 0.00 C ATOM 1351 CD LYS A 87 3.860 7.710 -8.564 1.00 0.00 C ATOM 1352 CE LYS A 87 4.131 6.474 -9.423 1.00 0.00 C ATOM 1353 NZ LYS A 87 5.104 6.789 -10.493 1.00 0.00 N ATOM 0 H LYS A 87 1.940 7.362 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 87 3.637 9.413 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.048 8.289 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.140 9.340 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.531 7.040 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.283 6.544 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.406 8.490 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.802 8.108 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.516 5.668 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.199 6.119 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.276 5.939 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.722 7.544 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.998 7.106 -10.067 1.00 0.00 H new ATOM 1367 N GLU A 88 0.667 10.347 -4.788 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.114 11.504 -4.383 1.00 0.00 C ATOM 1369 C GLU A 88 0.574 12.228 -3.223 1.00 0.00 C ATOM 1370 O GLU A 88 0.615 13.457 -3.191 1.00 0.00 O ATOM 1371 CB GLU A 88 -1.540 11.099 -4.008 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.150 10.187 -5.074 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.353 10.855 -5.744 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.276 11.242 -4.995 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.322 10.963 -6.989 1.00 0.00 O ATOM 0 H GLU A 88 0.201 9.450 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.177 12.190 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.535 10.587 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.156 11.991 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.398 9.946 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.459 9.246 -4.619 1.00 0.00 H new ATOM 1382 N LEU A 89 1.097 11.435 -2.299 1.00 0.00 N ATOM 1383 CA LEU A 89 1.780 11.986 -1.141 1.00 0.00 C ATOM 1384 C LEU A 89 2.726 13.099 -1.594 1.00 0.00 C ATOM 1385 O LEU A 89 2.884 14.104 -0.903 1.00 0.00 O ATOM 1386 CB LEU A 89 2.473 10.874 -0.350 1.00 0.00 C ATOM 1387 CG LEU A 89 2.712 11.157 1.135 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.484 11.809 1.773 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.136 9.886 1.873 1.00 0.00 C ATOM 0 H LEU A 89 1.061 10.416 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 89 1.063 12.436 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.874 9.967 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.435 10.666 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 89 3.534 11.868 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.680 12.000 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.268 12.751 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.627 11.142 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.300 10.114 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.352 9.134 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.059 9.503 1.437 1.00 0.00 H new ATOM 1401 N GLU A 90 3.331 12.883 -2.753 1.00 0.00 N ATOM 1402 CA GLU A 90 4.258 13.856 -3.306 1.00 0.00 C ATOM 1403 C GLU A 90 3.508 15.119 -3.736 1.00 0.00 C ATOM 1404 O GLU A 90 3.917 16.231 -3.405 1.00 0.00 O ATOM 1405 CB GLU A 90 5.044 13.261 -4.476 1.00 0.00 C ATOM 1406 CG GLU A 90 6.551 13.387 -4.244 1.00 0.00 C ATOM 1407 CD GLU A 90 7.104 14.649 -4.908 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.533 15.041 -5.949 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.087 15.195 -4.361 1.00 0.00 O ATOM 0 H GLU A 90 3.197 12.049 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 90 4.974 14.128 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.778 12.211 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.771 13.771 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.757 13.415 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.059 12.509 -4.644 1.00 0.00 H new ATOM 1416 N GLN A 91 2.423 14.905 -4.466 1.00 0.00 N ATOM 1417 CA GLN A 91 1.612 16.012 -4.943 1.00 0.00 C ATOM 1418 C GLN A 91 0.884 16.679 -3.775 1.00 0.00 C ATOM 1419 O GLN A 91 1.114 17.852 -3.484 1.00 0.00 O ATOM 1420 CB GLN A 91 0.621 15.545 -6.012 1.00 0.00 C ATOM 1421 CG GLN A 91 1.174 15.792 -7.417 1.00 0.00 C ATOM 1422 CD GLN A 91 0.398 16.905 -8.124 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.622 17.381 -7.653 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.937 17.293 -9.276 1.00 0.00 N ATOM 0 H GLN A 91 2.087 13.981 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 91 2.272 16.748 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.413 14.483 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.325 16.073 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.228 16.062 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.114 14.874 -8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.793 16.852 -9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.495 18.032 -9.823 1.00 0.00 H new ATOM 1433 N ASN A 92 0.019 15.904 -3.137 1.00 0.00 N ATOM 1434 CA ASN A 92 -0.744 16.405 -2.007 1.00 0.00 C ATOM 1435 C ASN A 92 0.169 17.246 -1.113 1.00 0.00 C ATOM 1436 O ASN A 92 -0.244 18.284 -0.599 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.301 15.255 -1.165 1.00 0.00 C ATOM 1438 CG ASN A 92 -2.748 14.944 -1.553 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -2.901 13.784 -2.186 1.00 0.00 O flip ATOM 1440 ND2 ASN A 92 -3.666 15.705 -1.293 1.00 0.00 N flip ATOM 0 H ASN A 92 -0.170 14.932 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.570 17.001 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.685 14.367 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.252 15.516 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.480 16.581 -0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.620 15.465 -1.564 1.00 0.00 H new ATOM 1447 N ALA A 93 1.394 16.766 -0.955 1.00 0.00 N ATOM 1448 CA ALA A 93 2.369 17.461 -0.132 1.00 0.00 C ATOM 1449 C ALA A 93 2.252 18.968 -0.372 1.00 0.00 C ATOM 1450 O ALA A 93 1.698 19.690 0.456 1.00 0.00 O ATOM 1451 CB ALA A 93 3.770 16.929 -0.441 1.00 0.00 C ATOM 0 H ALA A 93 1.733 15.905 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 93 2.177 17.280 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.502 17.450 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.809 15.861 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.999 17.096 -1.494 1.00 0.00 H new ATOM 1457 N SER A 94 2.781 19.397 -1.508 1.00 0.00 N ATOM 1458 CA SER A 94 2.743 20.804 -1.867 1.00 0.00 C ATOM 1459 C SER A 94 3.571 21.044 -3.131 1.00 0.00 C ATOM 1460 O SER A 94 3.079 21.621 -4.099 1.00 0.00 O ATOM 1461 CB SER A 94 3.256 21.679 -0.722 1.00 0.00 C ATOM 1462 OG SER A 94 3.972 22.816 -1.198 1.00 0.00 O ATOM 0 H SER A 94 3.239 18.795 -2.192 1.00 0.00 H new ATOM 0 HA SER A 94 1.706 21.079 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.414 22.009 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.904 21.087 -0.076 1.00 0.00 H new ATOM 0 HG SER A 94 4.282 23.350 -0.437 1.00 0.00 H new ATOM 1468 N GLY A 95 4.814 20.590 -3.081 1.00 0.00 N ATOM 1469 CA GLY A 95 5.715 20.748 -4.209 1.00 0.00 C ATOM 1470 C GLY A 95 6.786 19.655 -4.214 1.00 0.00 C ATOM 1471 O GLY A 95 7.133 19.117 -3.164 1.00 0.00 O ATOM 0 H GLY A 95 5.219 20.112 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.148 20.711 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.191 21.728 -4.164 1.00 0.00 H new ATOM 1475 N PRO A 96 7.292 19.352 -5.440 1.00 0.00 N ATOM 1476 CA PRO A 96 8.315 18.332 -5.595 1.00 0.00 C ATOM 1477 C PRO A 96 9.677 18.846 -5.122 1.00 0.00 C ATOM 1478 O PRO A 96 10.643 18.844 -5.883 1.00 0.00 O ATOM 1479 CB PRO A 96 8.296 17.977 -7.073 1.00 0.00 C ATOM 1480 CG PRO A 96 7.593 19.131 -7.770 1.00 0.00 C ATOM 1481 CD PRO A 96 6.904 19.968 -6.705 1.00 0.00 C ATOM 0 HA PRO A 96 8.125 17.449 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.308 17.847 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.768 17.039 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.310 19.735 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.866 18.756 -8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.223 21.009 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.822 19.960 -6.834 1.00 0.00 H new ATOM 1489 N SER A 97 9.709 19.273 -3.868 1.00 0.00 N ATOM 1490 CA SER A 97 10.936 19.788 -3.285 1.00 0.00 C ATOM 1491 C SER A 97 11.347 21.083 -3.989 1.00 0.00 C ATOM 1492 O SER A 97 11.642 21.077 -5.184 1.00 0.00 O ATOM 1493 CB SER A 97 12.062 18.756 -3.370 1.00 0.00 C ATOM 1494 OG SER A 97 12.576 18.419 -2.084 1.00 0.00 O ATOM 0 H SER A 97 8.905 19.273 -3.240 1.00 0.00 H new ATOM 0 HA SER A 97 10.752 19.998 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.692 17.855 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.867 19.149 -3.991 1.00 0.00 H new ATOM 0 HG SER A 97 13.292 17.756 -2.181 1.00 0.00 H new ATOM 1500 N SER A 98 11.355 22.161 -3.220 1.00 0.00 N ATOM 1501 CA SER A 98 11.725 23.460 -3.756 1.00 0.00 C ATOM 1502 C SER A 98 13.109 23.862 -3.243 1.00 0.00 C ATOM 1503 O SER A 98 13.585 23.325 -2.244 1.00 0.00 O ATOM 1504 CB SER A 98 10.691 24.525 -3.383 1.00 0.00 C ATOM 1505 OG SER A 98 10.669 24.779 -1.981 1.00 0.00 O ATOM 0 H SER A 98 11.111 22.162 -2.230 1.00 0.00 H new ATOM 0 HA SER A 98 11.754 23.386 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.914 25.449 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.703 24.200 -3.708 1.00 0.00 H new ATOM 0 HG SER A 98 9.998 25.465 -1.783 1.00 0.00 H new ATOM 1511 N GLY A 99 13.717 24.804 -3.950 1.00 0.00 N ATOM 1512 CA GLY A 99 15.037 25.284 -3.579 1.00 0.00 C ATOM 1513 C GLY A 99 16.070 24.933 -4.652 1.00 0.00 C ATOM 1514 O GLY A 99 15.879 25.242 -5.827 1.00 0.00 O ATOM 0 H GLY A 99 13.319 25.247 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.008 26.364 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.333 24.845 -2.626 1.00 0.00 H new TER 1518 GLY A 99