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 41 TYR OH : rot 94:sc= 0.289 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.53 K(o=0.82,f=-0.41) USER MOD Set 2.1: A 20 THR OG1 : rot -157:sc= -0.96 USER MOD Set 2.2: A 23 SER OG : rot 140:sc= -2.11 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.0237 USER MOD Set 3.2: A 25 THR OG1 : rot 149:sc= 0.0226 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0763 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.395 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 48:sc= 1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.407 USER MOD Single : A 10 THR OG1 : rot 117:sc= 1.26 USER MOD Single : A 14 MET CE :methyl -170:sc= -0.0913 (180deg=-0.267) USER MOD Single : A 15 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.4!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.537 F(o=-1.6,f=-0.54) USER MOD Single : A 21 MET CE :methyl 173:sc= -1.66 (180deg=-1.76) USER MOD Single : A 27 SER OG : rot -41:sc= 1.02 USER MOD Single : A 30 GLN : amide:sc=-0.00346 X(o=-0.0035,f=-0.49) USER MOD Single : A 33 GLN : amide:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.51) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0247 (180deg=-0.292) USER MOD Single : A 50 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.22) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : A 55 SER OG : rot -28:sc= -0.768 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 165:sc= -0.0126 (180deg=-0.337) USER MOD Single : A 60 SER OG : rot -105:sc= 0.0408 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 72:sc= -0.438! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -133:sc= 0.0825 USER MOD Single : A 79 GLN : amide:sc= -0.302 K(o=-0.3,f=-0.96) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0605 (180deg=-0.342) USER MOD Single : A 92 SER OG : rot 140:sc= -1.12 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 39:sc= 0.119 USER MOD Single : A 98 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 99 THR OG1 : rot -146:sc= 0.0717 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00311 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 -13.996 -21.204 5.859 1.00 0.00 N ATOM 2 CA GLY A 1 -13.425 -21.641 4.599 1.00 0.00 C ATOM 3 C GLY A 1 -11.986 -22.096 4.741 1.00 0.00 C ATOM 4 O GLY A 1 -11.361 -21.886 5.781 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.879 -21.724 6.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.322 -21.390 6.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.197 -20.185 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.023 -22.459 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.475 -20.825 3.878 1.00 0.00 H new ATOM 8 N SER A 2 -11.459 -22.722 3.694 1.00 0.00 N ATOM 9 CA SER A 2 -10.086 -23.213 3.709 1.00 0.00 C ATOM 10 C SER A 2 -9.301 -22.669 2.519 1.00 0.00 C ATOM 11 O SER A 2 -9.674 -22.884 1.365 1.00 0.00 O ATOM 12 CB SER A 2 -10.068 -24.743 3.690 1.00 0.00 C ATOM 13 OG SER A 2 -10.676 -25.245 2.512 1.00 0.00 O ATOM 0 H SER A 2 -11.962 -22.901 2.825 1.00 0.00 H new ATOM 0 HA SER A 2 -9.612 -22.863 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.040 -25.099 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.592 -25.127 4.565 1.00 0.00 H new ATOM 0 HG SER A 2 -10.628 -24.568 1.805 1.00 0.00 H new ATOM 19 N SER A 3 -8.213 -21.964 2.808 1.00 0.00 N ATOM 20 CA SER A 3 -7.377 -21.385 1.763 1.00 0.00 C ATOM 21 C SER A 3 -5.898 -21.505 2.121 1.00 0.00 C ATOM 22 O SER A 3 -5.490 -21.184 3.235 1.00 0.00 O ATOM 23 CB SER A 3 -7.742 -19.916 1.543 1.00 0.00 C ATOM 24 OG SER A 3 -7.446 -19.140 2.692 1.00 0.00 O ATOM 0 H SER A 3 -7.889 -21.780 3.758 1.00 0.00 H new ATOM 0 HA SER A 3 -7.556 -21.938 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.193 -19.526 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.803 -19.833 1.307 1.00 0.00 H new ATOM 0 HG SER A 3 -7.687 -18.205 2.526 1.00 0.00 H new ATOM 30 N GLY A 4 -5.101 -21.972 1.165 1.00 0.00 N ATOM 31 CA GLY A 4 -3.677 -22.128 1.397 1.00 0.00 C ATOM 32 C GLY A 4 -2.839 -21.325 0.421 1.00 0.00 C ATOM 33 O GLY A 4 -2.944 -20.100 0.364 1.00 0.00 O ATOM 0 H GLY A 4 -5.416 -22.245 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.442 -21.817 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.412 -23.182 1.317 1.00 0.00 H new ATOM 37 N SER A 5 -2.003 -22.017 -0.347 1.00 0.00 N ATOM 38 CA SER A 5 -1.139 -21.360 -1.321 1.00 0.00 C ATOM 39 C SER A 5 -1.940 -20.907 -2.538 1.00 0.00 C ATOM 40 O SER A 5 -2.016 -21.615 -3.543 1.00 0.00 O ATOM 41 CB SER A 5 -0.017 -22.304 -1.756 1.00 0.00 C ATOM 42 OG SER A 5 -0.538 -23.454 -2.400 1.00 0.00 O ATOM 0 H SER A 5 -1.906 -23.032 -0.314 1.00 0.00 H new ATOM 0 HA SER A 5 -0.701 -20.481 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.661 -21.781 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.568 -22.604 -0.886 1.00 0.00 H new ATOM 0 HG SER A 5 -1.198 -23.182 -3.071 1.00 0.00 H new ATOM 48 N SER A 6 -2.535 -19.723 -2.440 1.00 0.00 N ATOM 49 CA SER A 6 -3.333 -19.176 -3.531 1.00 0.00 C ATOM 50 C SER A 6 -2.764 -17.842 -4.005 1.00 0.00 C ATOM 51 O SER A 6 -3.225 -16.777 -3.597 1.00 0.00 O ATOM 52 CB SER A 6 -4.786 -18.994 -3.087 1.00 0.00 C ATOM 53 OG SER A 6 -5.484 -20.227 -3.110 1.00 0.00 O ATOM 0 H SER A 6 -2.480 -19.124 -1.616 1.00 0.00 H new ATOM 0 HA SER A 6 -3.299 -19.881 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.812 -18.576 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.283 -18.279 -3.742 1.00 0.00 H new ATOM 0 HG SER A 6 -6.409 -20.084 -2.821 1.00 0.00 H new ATOM 59 N GLY A 7 -1.757 -17.910 -4.872 1.00 0.00 N ATOM 60 CA GLY A 7 -1.140 -16.702 -5.388 1.00 0.00 C ATOM 61 C GLY A 7 0.271 -16.506 -4.872 1.00 0.00 C ATOM 62 O GLY A 7 0.790 -17.312 -4.098 1.00 0.00 O ATOM 0 H GLY A 7 -1.358 -18.780 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.123 -16.743 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.748 -15.841 -5.111 1.00 0.00 H new ATOM 66 N PRO A 8 0.918 -15.414 -5.305 1.00 0.00 N ATOM 67 CA PRO A 8 2.287 -15.090 -4.896 1.00 0.00 C ATOM 68 C PRO A 8 2.372 -14.678 -3.430 1.00 0.00 C ATOM 69 O PRO A 8 1.404 -14.175 -2.860 1.00 0.00 O ATOM 70 CB PRO A 8 2.660 -13.915 -5.804 1.00 0.00 C ATOM 71 CG PRO A 8 1.359 -13.287 -6.165 1.00 0.00 C ATOM 72 CD PRO A 8 0.361 -14.411 -6.228 1.00 0.00 C ATOM 0 HA PRO A 8 2.954 -15.947 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.311 -13.208 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.195 -14.254 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.065 -12.545 -5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.427 -12.771 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.631 -14.085 -5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.264 -14.806 -7.239 1.00 0.00 H new ATOM 80 N SER A 9 3.536 -14.894 -2.826 1.00 0.00 N ATOM 81 CA SER A 9 3.746 -14.548 -1.425 1.00 0.00 C ATOM 82 C SER A 9 3.259 -13.131 -1.136 1.00 0.00 C ATOM 83 O SER A 9 2.892 -12.389 -2.049 1.00 0.00 O ATOM 84 CB SER A 9 5.227 -14.674 -1.063 1.00 0.00 C ATOM 85 OG SER A 9 5.482 -14.153 0.230 1.00 0.00 O ATOM 0 H SER A 9 4.348 -15.307 -3.285 1.00 0.00 H new ATOM 0 HA SER A 9 3.170 -15.243 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.526 -15.721 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.831 -14.142 -1.798 1.00 0.00 H new ATOM 0 HG SER A 9 6.435 -14.247 0.438 1.00 0.00 H new ATOM 91 N THR A 10 3.259 -12.761 0.140 1.00 0.00 N ATOM 92 CA THR A 10 2.816 -11.434 0.551 1.00 0.00 C ATOM 93 C THR A 10 3.661 -10.906 1.705 1.00 0.00 C ATOM 94 O THR A 10 3.879 -11.602 2.698 1.00 0.00 O ATOM 95 CB THR A 10 1.336 -11.442 0.975 1.00 0.00 C ATOM 96 OG1 THR A 10 0.812 -10.109 0.950 1.00 0.00 O ATOM 97 CG2 THR A 10 1.175 -12.030 2.369 1.00 0.00 C ATOM 0 H THR A 10 3.561 -13.361 0.907 1.00 0.00 H new ATOM 0 HA THR A 10 2.935 -10.779 -0.312 1.00 0.00 H new ATOM 0 HB THR A 10 0.783 -12.063 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.098 -10.051 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.121 -12.025 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.548 -13.054 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.741 -11.432 3.084 1.00 0.00 H new ATOM 105 N VAL A 11 4.134 -9.671 1.570 1.00 0.00 N ATOM 106 CA VAL A 11 4.953 -9.049 2.603 1.00 0.00 C ATOM 107 C VAL A 11 4.425 -9.376 3.995 1.00 0.00 C ATOM 108 O VAL A 11 3.234 -9.249 4.280 1.00 0.00 O ATOM 109 CB VAL A 11 5.005 -7.519 2.432 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.425 -6.850 3.732 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.948 -7.141 1.300 1.00 0.00 C ATOM 0 H VAL A 11 3.964 -9.082 0.755 1.00 0.00 H new ATOM 0 HA VAL A 11 5.959 -9.454 2.495 1.00 0.00 H new ATOM 0 HB VAL A 11 4.006 -7.166 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.456 -5.770 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.707 -7.094 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.413 -7.207 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.972 -6.056 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.950 -7.506 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.598 -7.589 0.370 1.00 0.00 H new ATOM 121 N PRO A 12 5.330 -9.808 4.885 1.00 0.00 N ATOM 122 CA PRO A 12 4.979 -10.161 6.264 1.00 0.00 C ATOM 123 C PRO A 12 4.598 -8.942 7.096 1.00 0.00 C ATOM 124 O PRO A 12 3.623 -8.973 7.848 1.00 0.00 O ATOM 125 CB PRO A 12 6.262 -10.798 6.805 1.00 0.00 C ATOM 126 CG PRO A 12 7.354 -10.207 5.981 1.00 0.00 C ATOM 127 CD PRO A 12 6.767 -9.983 4.615 1.00 0.00 C ATOM 0 HA PRO A 12 4.110 -10.817 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.399 -10.575 7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.236 -11.883 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.706 -9.270 6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.212 -10.877 5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.195 -9.104 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.951 -10.830 3.955 1.00 0.00 H new ATOM 135 N ILE A 13 5.371 -7.871 6.956 1.00 0.00 N ATOM 136 CA ILE A 13 5.112 -6.641 7.695 1.00 0.00 C ATOM 137 C ILE A 13 5.492 -5.415 6.871 1.00 0.00 C ATOM 138 O ILE A 13 6.217 -5.519 5.882 1.00 0.00 O ATOM 139 CB ILE A 13 5.886 -6.610 9.026 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.413 -5.438 9.889 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.382 -6.514 8.767 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.566 -5.681 11.374 1.00 0.00 C ATOM 0 H ILE A 13 6.181 -7.830 6.338 1.00 0.00 H new ATOM 0 HA ILE A 13 4.043 -6.618 7.905 1.00 0.00 H new ATOM 0 HB ILE A 13 5.689 -7.537 9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.976 -4.545 9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.365 -5.234 9.668 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.915 -6.493 9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.707 -7.378 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.597 -5.602 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.211 -4.809 11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.981 -6.554 11.662 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.616 -5.855 11.608 1.00 0.00 H new ATOM 154 N MET A 14 4.997 -4.254 7.286 1.00 0.00 N ATOM 155 CA MET A 14 5.287 -3.006 6.588 1.00 0.00 C ATOM 156 C MET A 14 6.156 -2.092 7.446 1.00 0.00 C ATOM 157 O MET A 14 6.062 -2.104 8.674 1.00 0.00 O ATOM 158 CB MET A 14 3.986 -2.291 6.215 1.00 0.00 C ATOM 159 CG MET A 14 3.433 -2.702 4.860 1.00 0.00 C ATOM 160 SD MET A 14 4.127 -1.736 3.505 1.00 0.00 S ATOM 161 CE MET A 14 2.672 -0.861 2.934 1.00 0.00 C ATOM 0 H MET A 14 4.393 -4.151 8.102 1.00 0.00 H new ATOM 0 HA MET A 14 5.834 -3.247 5.677 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.237 -2.494 6.981 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.159 -1.215 6.216 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.642 -3.759 4.692 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.349 -2.588 4.864 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.895 -0.359 1.992 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.857 -1.569 2.784 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.377 -0.121 3.678 1.00 0.00 H new ATOM 171 N HIS A 15 7.001 -1.302 6.792 1.00 0.00 N ATOM 172 CA HIS A 15 7.887 -0.381 7.496 1.00 0.00 C ATOM 173 C HIS A 15 7.829 1.011 6.874 1.00 0.00 C ATOM 174 O HIS A 15 7.996 1.167 5.665 1.00 0.00 O ATOM 175 CB HIS A 15 9.323 -0.904 7.472 1.00 0.00 C ATOM 176 CG HIS A 15 9.484 -2.245 8.118 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.937 -2.409 9.410 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.246 -3.491 7.643 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.973 -3.697 9.701 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.559 -4.375 8.646 1.00 0.00 N ATOM 0 H HIS A 15 7.091 -1.281 5.776 1.00 0.00 H new ATOM 0 HA HIS A 15 7.551 -0.311 8.531 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.661 -0.966 6.438 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.970 -0.187 7.977 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.203 -1.654 10.042 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.879 -3.742 6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.288 -4.123 10.642 1.00 0.00 H new ATOM 189 N GLN A 16 7.590 2.017 7.708 1.00 0.00 N ATOM 190 CA GLN A 16 7.508 3.395 7.239 1.00 0.00 C ATOM 191 C GLN A 16 8.868 4.081 7.324 1.00 0.00 C ATOM 192 O GLN A 16 9.622 3.871 8.275 1.00 0.00 O ATOM 193 CB GLN A 16 6.479 4.175 8.058 1.00 0.00 C ATOM 194 CG GLN A 16 6.697 5.679 8.037 1.00 0.00 C ATOM 195 CD GLN A 16 5.408 6.459 8.204 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.049 7.237 7.189 1.00 0.00 O flip ATOM 197 NE2 GLN A 16 4.741 6.363 9.235 1.00 0.00 N flip ATOM 0 H GLN A 16 7.450 1.904 8.712 1.00 0.00 H new ATOM 0 HA GLN A 16 7.194 3.378 6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.482 3.956 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.509 3.826 9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.389 5.953 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.168 5.961 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.054 5.753 9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.875 6.893 9.334 1.00 0.00 H new ATOM 206 N VAL A 17 9.176 4.900 6.324 1.00 0.00 N ATOM 207 CA VAL A 17 10.445 5.618 6.286 1.00 0.00 C ATOM 208 C VAL A 17 10.242 7.107 6.539 1.00 0.00 C ATOM 209 O VAL A 17 11.000 7.730 7.282 1.00 0.00 O ATOM 210 CB VAL A 17 11.155 5.430 4.933 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.556 6.021 4.978 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.202 3.957 4.556 1.00 0.00 C ATOM 0 H VAL A 17 8.564 5.083 5.529 1.00 0.00 H new ATOM 0 HA VAL A 17 11.069 5.201 7.076 1.00 0.00 H new ATOM 0 HB VAL A 17 10.587 5.960 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.042 5.879 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.494 7.086 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.137 5.522 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.707 3.843 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.746 3.403 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.186 3.568 4.480 1.00 0.00 H new ATOM 222 N SER A 18 9.213 7.673 5.916 1.00 0.00 N ATOM 223 CA SER A 18 8.911 9.091 6.070 1.00 0.00 C ATOM 224 C SER A 18 7.469 9.387 5.670 1.00 0.00 C ATOM 225 O SER A 18 6.719 8.484 5.301 1.00 0.00 O ATOM 226 CB SER A 18 9.870 9.933 5.225 1.00 0.00 C ATOM 227 OG SER A 18 9.978 9.416 3.910 1.00 0.00 O ATOM 0 H SER A 18 8.574 7.171 5.300 1.00 0.00 H new ATOM 0 HA SER A 18 9.038 9.352 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.517 10.963 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.854 9.951 5.694 1.00 0.00 H new ATOM 0 HG SER A 18 10.595 9.972 3.390 1.00 0.00 H new ATOM 233 N ALA A 19 7.089 10.658 5.747 1.00 0.00 N ATOM 234 CA ALA A 19 5.738 11.074 5.392 1.00 0.00 C ATOM 235 C ALA A 19 5.601 12.592 5.437 1.00 0.00 C ATOM 236 O ALA A 19 6.268 13.263 6.226 1.00 0.00 O ATOM 237 CB ALA A 19 4.723 10.423 6.320 1.00 0.00 C ATOM 0 H ALA A 19 7.698 11.417 6.052 1.00 0.00 H new ATOM 0 HA ALA A 19 5.541 10.748 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.719 10.743 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.795 9.339 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.927 10.720 7.349 1.00 0.00 H new ATOM 243 N THR A 20 4.733 13.129 4.586 1.00 0.00 N ATOM 244 CA THR A 20 4.511 14.569 4.527 1.00 0.00 C ATOM 245 C THR A 20 3.148 14.938 5.103 1.00 0.00 C ATOM 246 O THR A 20 2.426 14.081 5.611 1.00 0.00 O ATOM 247 CB THR A 20 4.604 15.094 3.082 1.00 0.00 C ATOM 248 OG1 THR A 20 3.995 14.161 2.182 1.00 0.00 O ATOM 249 CG2 THR A 20 6.054 15.320 2.682 1.00 0.00 C ATOM 0 H THR A 20 4.172 12.589 3.928 1.00 0.00 H new ATOM 0 HA THR A 20 5.294 15.034 5.125 1.00 0.00 H new ATOM 0 HB THR A 20 4.076 16.046 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.358 14.291 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.095 15.691 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.506 16.052 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.601 14.380 2.750 1.00 0.00 H new ATOM 257 N MET A 21 2.803 16.219 5.020 1.00 0.00 N ATOM 258 CA MET A 21 1.526 16.700 5.531 1.00 0.00 C ATOM 259 C MET A 21 0.406 16.442 4.528 1.00 0.00 C ATOM 260 O MET A 21 -0.774 16.486 4.876 1.00 0.00 O ATOM 261 CB MET A 21 1.609 18.195 5.846 1.00 0.00 C ATOM 262 CG MET A 21 2.596 18.529 6.953 1.00 0.00 C ATOM 263 SD MET A 21 2.622 20.287 7.352 1.00 0.00 S ATOM 264 CE MET A 21 0.896 20.711 7.133 1.00 0.00 C ATOM 0 H MET A 21 3.390 16.942 4.604 1.00 0.00 H new ATOM 0 HA MET A 21 1.302 16.154 6.447 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.894 18.733 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.620 18.553 6.132 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.339 17.961 7.847 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.595 18.214 6.651 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.729 21.736 7.463 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.630 20.621 6.080 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.277 20.035 7.723 1.00 0.00 H new ATOM 274 N ARG A 22 0.784 16.172 3.283 1.00 0.00 N ATOM 275 CA ARG A 22 -0.189 15.908 2.230 1.00 0.00 C ATOM 276 C ARG A 22 0.065 14.549 1.583 1.00 0.00 C ATOM 277 O ARG A 22 -0.573 14.193 0.593 1.00 0.00 O ATOM 278 CB ARG A 22 -0.134 17.008 1.168 1.00 0.00 C ATOM 279 CG ARG A 22 -0.670 18.346 1.649 1.00 0.00 C ATOM 280 CD ARG A 22 -0.061 19.503 0.872 1.00 0.00 C ATOM 281 NE ARG A 22 -0.265 20.782 1.544 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.441 21.395 1.617 1.00 0.00 C ATOM 283 NH1 ARG A 22 -2.513 20.847 1.061 1.00 0.00 N ATOM 284 NH2 ARG A 22 -1.547 22.558 2.247 1.00 0.00 N ATOM 0 H ARG A 22 1.757 16.130 2.979 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.181 15.897 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.898 17.136 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.706 16.689 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.754 18.365 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.453 18.465 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.007 19.329 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.502 19.543 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 22 0.540 21.230 1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.435 19.953 0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.415 21.319 1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.725 22.982 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.451 23.028 2.302 1.00 0.00 H new ATOM 298 N SER A 23 1.002 13.796 2.150 1.00 0.00 N ATOM 299 CA SER A 23 1.344 12.478 1.627 1.00 0.00 C ATOM 300 C SER A 23 2.025 11.629 2.696 1.00 0.00 C ATOM 301 O SER A 23 2.234 12.081 3.823 1.00 0.00 O ATOM 302 CB SER A 23 2.257 12.612 0.407 1.00 0.00 C ATOM 303 OG SER A 23 2.010 13.824 -0.285 1.00 0.00 O ATOM 0 H SER A 23 1.538 14.076 2.971 1.00 0.00 H new ATOM 0 HA SER A 23 0.421 11.982 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.299 12.576 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.099 11.768 -0.264 1.00 0.00 H new ATOM 0 HG SER A 23 2.860 14.211 -0.581 1.00 0.00 H new ATOM 309 N ILE A 24 2.369 10.398 2.334 1.00 0.00 N ATOM 310 CA ILE A 24 3.028 9.486 3.261 1.00 0.00 C ATOM 311 C ILE A 24 3.957 8.528 2.522 1.00 0.00 C ATOM 312 O ILE A 24 3.632 8.041 1.439 1.00 0.00 O ATOM 313 CB ILE A 24 2.004 8.668 4.070 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.972 9.596 4.713 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.710 7.836 5.130 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.169 8.861 5.381 1.00 0.00 C ATOM 0 H ILE A 24 2.203 10.009 1.406 1.00 0.00 H new ATOM 0 HA ILE A 24 3.613 10.100 3.946 1.00 0.00 H new ATOM 0 HB ILE A 24 1.484 7.991 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.470 10.224 5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.568 10.261 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.973 7.264 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.410 7.153 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.253 8.495 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.862 9.582 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.693 8.254 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.224 8.217 6.167 1.00 0.00 H new ATOM 328 N THR A 25 5.116 8.260 3.117 1.00 0.00 N ATOM 329 CA THR A 25 6.092 7.360 2.517 1.00 0.00 C ATOM 330 C THR A 25 6.185 6.052 3.294 1.00 0.00 C ATOM 331 O THR A 25 6.325 6.054 4.518 1.00 0.00 O ATOM 332 CB THR A 25 7.489 8.007 2.455 1.00 0.00 C ATOM 333 OG1 THR A 25 7.368 9.410 2.192 1.00 0.00 O ATOM 334 CG2 THR A 25 8.340 7.355 1.375 1.00 0.00 C ATOM 0 H THR A 25 5.401 8.654 4.014 1.00 0.00 H new ATOM 0 HA THR A 25 5.749 7.153 1.503 1.00 0.00 H new ATOM 0 HB THR A 25 7.977 7.859 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.109 9.888 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.322 7.828 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.455 6.293 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.854 7.476 0.407 1.00 0.00 H new ATOM 342 N LEU A 26 6.107 4.937 2.577 1.00 0.00 N ATOM 343 CA LEU A 26 6.183 3.620 3.199 1.00 0.00 C ATOM 344 C LEU A 26 7.112 2.699 2.414 1.00 0.00 C ATOM 345 O LEU A 26 7.546 3.032 1.312 1.00 0.00 O ATOM 346 CB LEU A 26 4.789 2.997 3.294 1.00 0.00 C ATOM 347 CG LEU A 26 3.659 3.941 3.704 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.333 3.469 3.129 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.577 4.048 5.220 1.00 0.00 C ATOM 0 H LEU A 26 5.991 4.918 1.564 1.00 0.00 H new ATOM 0 HA LEU A 26 6.588 3.743 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.540 2.563 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.828 2.176 4.010 1.00 0.00 H new ATOM 0 HG LEU A 26 3.874 4.930 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.541 4.154 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.396 3.445 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.110 2.469 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.767 4.724 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.386 3.062 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.519 4.434 5.609 1.00 0.00 H new ATOM 361 N SER A 27 7.411 1.538 2.990 1.00 0.00 N ATOM 362 CA SER A 27 8.289 0.569 2.345 1.00 0.00 C ATOM 363 C SER A 27 7.978 -0.847 2.821 1.00 0.00 C ATOM 364 O SER A 27 7.312 -1.039 3.838 1.00 0.00 O ATOM 365 CB SER A 27 9.753 0.906 2.631 1.00 0.00 C ATOM 366 OG SER A 27 10.124 0.500 3.938 1.00 0.00 O ATOM 0 H SER A 27 7.058 1.246 3.901 1.00 0.00 H new ATOM 0 HA SER A 27 8.116 0.618 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.393 0.414 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.911 1.979 2.522 1.00 0.00 H new ATOM 0 HG SER A 27 9.397 0.705 4.563 1.00 0.00 H new ATOM 372 N TRP A 28 8.466 -1.834 2.078 1.00 0.00 N ATOM 373 CA TRP A 28 8.241 -3.233 2.423 1.00 0.00 C ATOM 374 C TRP A 28 9.295 -4.128 1.781 1.00 0.00 C ATOM 375 O TRP A 28 9.755 -3.884 0.666 1.00 0.00 O ATOM 376 CB TRP A 28 6.844 -3.670 1.980 1.00 0.00 C ATOM 377 CG TRP A 28 6.563 -3.389 0.535 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.708 -4.255 -0.511 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.092 -2.158 -0.022 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.355 -3.635 -1.686 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.972 -2.349 -1.413 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.757 -0.913 0.518 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.534 -1.341 -2.267 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.323 0.087 -0.332 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.213 -0.132 -1.712 1.00 0.00 C ATOM 0 H TRP A 28 9.020 -1.691 1.233 1.00 0.00 H new ATOM 0 HA TRP A 28 8.319 -3.332 3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.730 -4.738 2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.101 -3.160 2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.050 -5.276 -0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.375 -4.064 -2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.836 -0.736 1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.450 -1.507 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.064 1.054 0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.868 0.669 -2.350 1.00 0.00 H new ATOM 396 N PRO A 29 9.688 -5.191 2.499 1.00 0.00 N ATOM 397 CA PRO A 29 10.691 -6.144 2.018 1.00 0.00 C ATOM 398 C PRO A 29 10.176 -6.994 0.861 1.00 0.00 C ATOM 399 O PRO A 29 8.968 -7.136 0.674 1.00 0.00 O ATOM 400 CB PRO A 29 10.965 -7.020 3.243 1.00 0.00 C ATOM 401 CG PRO A 29 9.723 -6.928 4.060 1.00 0.00 C ATOM 402 CD PRO A 29 9.181 -5.543 3.837 1.00 0.00 C ATOM 0 HA PRO A 29 11.577 -5.641 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.174 -8.050 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.832 -6.663 3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.999 -7.684 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.937 -7.098 5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.092 -5.527 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.534 -4.846 4.597 1.00 0.00 H new ATOM 410 N GLN A 30 11.100 -7.555 0.088 1.00 0.00 N ATOM 411 CA GLN A 30 10.738 -8.391 -1.051 1.00 0.00 C ATOM 412 C GLN A 30 10.516 -9.836 -0.617 1.00 0.00 C ATOM 413 O GLN A 30 11.320 -10.423 0.107 1.00 0.00 O ATOM 414 CB GLN A 30 11.828 -8.329 -2.122 1.00 0.00 C ATOM 415 CG GLN A 30 11.366 -8.811 -3.488 1.00 0.00 C ATOM 416 CD GLN A 30 12.372 -8.514 -4.583 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.948 -7.427 -4.635 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.590 -9.482 -5.465 1.00 0.00 N ATOM 0 H GLN A 30 12.104 -7.446 0.229 1.00 0.00 H new ATOM 0 HA GLN A 30 9.806 -8.009 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.182 -7.302 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.677 -8.933 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.185 -9.885 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.416 -8.337 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.090 -10.368 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.257 -9.340 -6.223 1.00 0.00 H new ATOM 427 N PRO A 31 9.398 -10.424 -1.069 1.00 0.00 N ATOM 428 CA PRO A 31 9.045 -11.808 -0.740 1.00 0.00 C ATOM 429 C PRO A 31 9.967 -12.818 -1.415 1.00 0.00 C ATOM 430 O PRO A 31 10.546 -12.539 -2.463 1.00 0.00 O ATOM 431 CB PRO A 31 7.617 -11.946 -1.276 1.00 0.00 C ATOM 432 CG PRO A 31 7.521 -10.931 -2.362 1.00 0.00 C ATOM 433 CD PRO A 31 8.395 -9.784 -1.936 1.00 0.00 C ATOM 0 HA PRO A 31 9.136 -12.009 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.432 -12.951 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.881 -11.760 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.856 -11.345 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.490 -10.605 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.858 -9.292 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.827 -9.023 -1.400 1.00 0.00 H new ATOM 441 N GLU A 32 10.097 -13.993 -0.806 1.00 0.00 N ATOM 442 CA GLU A 32 10.949 -15.044 -1.349 1.00 0.00 C ATOM 443 C GLU A 32 10.117 -16.104 -2.065 1.00 0.00 C ATOM 444 O GLU A 32 10.659 -16.993 -2.721 1.00 0.00 O ATOM 445 CB GLU A 32 11.770 -15.693 -0.233 1.00 0.00 C ATOM 446 CG GLU A 32 10.922 -16.299 0.873 1.00 0.00 C ATOM 447 CD GLU A 32 11.739 -16.679 2.093 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.284 -17.803 2.114 1.00 0.00 O ATOM 449 OE2 GLU A 32 11.834 -15.854 3.025 1.00 0.00 O ATOM 0 H GLU A 32 9.623 -14.240 0.063 1.00 0.00 H new ATOM 0 HA GLU A 32 11.626 -14.589 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.401 -16.471 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.435 -14.945 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.150 -15.587 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.412 -17.184 0.492 1.00 0.00 H new ATOM 456 N GLN A 33 8.799 -16.001 -1.933 1.00 0.00 N ATOM 457 CA GLN A 33 7.892 -16.951 -2.567 1.00 0.00 C ATOM 458 C GLN A 33 6.896 -16.233 -3.472 1.00 0.00 C ATOM 459 O GLN A 33 5.685 -16.438 -3.389 1.00 0.00 O ATOM 460 CB GLN A 33 7.143 -17.759 -1.505 1.00 0.00 C ATOM 461 CG GLN A 33 7.879 -19.015 -1.065 1.00 0.00 C ATOM 462 CD GLN A 33 7.328 -19.592 0.224 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.749 -20.678 0.234 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.507 -18.866 1.322 1.00 0.00 N ATOM 0 H GLN A 33 8.335 -15.270 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 33 8.487 -17.630 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.969 -17.126 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.165 -18.039 -1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.812 -19.766 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.936 -18.785 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.993 -17.971 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.159 -19.204 2.219 1.00 0.00 H new ATOM 473 N PRO A 34 7.417 -15.371 -4.358 1.00 0.00 N ATOM 474 CA PRO A 34 6.591 -14.605 -5.296 1.00 0.00 C ATOM 475 C PRO A 34 5.968 -15.487 -6.373 1.00 0.00 C ATOM 476 O PRO A 34 5.256 -15.000 -7.251 1.00 0.00 O ATOM 477 CB PRO A 34 7.583 -13.620 -5.919 1.00 0.00 C ATOM 478 CG PRO A 34 8.910 -14.285 -5.788 1.00 0.00 C ATOM 479 CD PRO A 34 8.852 -15.077 -4.512 1.00 0.00 C ATOM 0 HA PRO A 34 5.748 -14.125 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.341 -13.422 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.568 -12.661 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.107 -14.934 -6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.714 -13.549 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.444 -15.990 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.238 -14.507 -3.667 1.00 0.00 H new ATOM 487 N ASN A 35 6.239 -16.785 -6.298 1.00 0.00 N ATOM 488 CA ASN A 35 5.705 -17.735 -7.267 1.00 0.00 C ATOM 489 C ASN A 35 5.886 -17.219 -8.692 1.00 0.00 C ATOM 490 O ASN A 35 5.102 -17.539 -9.584 1.00 0.00 O ATOM 491 CB ASN A 35 4.222 -17.996 -6.993 1.00 0.00 C ATOM 492 CG ASN A 35 4.004 -18.845 -5.756 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.342 -19.882 -5.810 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.561 -18.409 -4.632 1.00 0.00 N ATOM 0 H ASN A 35 6.825 -17.204 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 35 6.257 -18.669 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.704 -17.044 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.778 -18.494 -7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.448 -18.939 -3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.102 -17.544 -4.633 1.00 0.00 H new ATOM 501 N GLY A 36 6.928 -16.419 -8.897 1.00 0.00 N ATOM 502 CA GLY A 36 7.195 -15.872 -10.214 1.00 0.00 C ATOM 503 C GLY A 36 7.666 -14.432 -10.160 1.00 0.00 C ATOM 504 O GLY A 36 7.560 -13.776 -9.123 1.00 0.00 O ATOM 0 H GLY A 36 7.592 -16.140 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.952 -16.480 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.291 -15.933 -10.819 1.00 0.00 H new ATOM 508 N ILE A 37 8.187 -13.939 -11.278 1.00 0.00 N ATOM 509 CA ILE A 37 8.676 -12.568 -11.353 1.00 0.00 C ATOM 510 C ILE A 37 7.563 -11.570 -11.051 1.00 0.00 C ATOM 511 O ILE A 37 6.536 -11.547 -11.730 1.00 0.00 O ATOM 512 CB ILE A 37 9.268 -12.256 -12.740 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.317 -13.303 -13.118 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.873 -10.860 -12.756 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.862 -13.134 -14.520 1.00 0.00 C ATOM 0 H ILE A 37 8.281 -14.469 -12.145 1.00 0.00 H new ATOM 0 HA ILE A 37 9.461 -12.472 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 37 8.466 -12.291 -13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.142 -13.252 -12.408 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.877 -14.296 -13.025 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.287 -10.654 -13.743 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.101 -10.126 -12.527 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.665 -10.798 -12.010 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.600 -13.911 -14.719 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.047 -13.215 -15.239 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.331 -12.155 -14.612 1.00 0.00 H new ATOM 527 N ILE A 38 7.775 -10.746 -10.031 1.00 0.00 N ATOM 528 CA ILE A 38 6.791 -9.744 -9.641 1.00 0.00 C ATOM 529 C ILE A 38 6.839 -8.536 -10.570 1.00 0.00 C ATOM 530 O ILE A 38 7.846 -7.830 -10.636 1.00 0.00 O ATOM 531 CB ILE A 38 7.011 -9.272 -8.192 1.00 0.00 C ATOM 532 CG1 ILE A 38 6.862 -10.446 -7.222 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.033 -8.161 -7.842 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.023 -10.054 -5.770 1.00 0.00 C ATOM 0 H ILE A 38 8.620 -10.752 -9.459 1.00 0.00 H new ATOM 0 HA ILE A 38 5.812 -10.218 -9.715 1.00 0.00 H new ATOM 0 HB ILE A 38 8.024 -8.878 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.880 -10.899 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.602 -11.207 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.201 -7.838 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.183 -7.318 -8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.012 -8.529 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.905 -10.936 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.014 -9.628 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.266 -9.316 -5.506 1.00 0.00 H new ATOM 546 N LEU A 39 5.745 -8.302 -11.285 1.00 0.00 N ATOM 547 CA LEU A 39 5.660 -7.178 -12.210 1.00 0.00 C ATOM 548 C LEU A 39 5.682 -5.851 -11.458 1.00 0.00 C ATOM 549 O LEU A 39 6.556 -5.014 -11.681 1.00 0.00 O ATOM 550 CB LEU A 39 4.388 -7.279 -13.053 1.00 0.00 C ATOM 551 CG LEU A 39 4.213 -8.570 -13.853 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.747 -8.799 -14.184 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.049 -8.527 -15.124 1.00 0.00 C ATOM 0 H LEU A 39 4.903 -8.876 -11.242 1.00 0.00 H new ATOM 0 HA LEU A 39 6.528 -7.216 -12.869 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.528 -7.165 -12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.369 -6.439 -13.748 1.00 0.00 H new ATOM 0 HG LEU A 39 4.560 -9.403 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.643 -9.722 -14.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.173 -8.875 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.373 -7.964 -14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.912 -9.454 -15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.733 -7.684 -15.739 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.101 -8.412 -14.864 1.00 0.00 H new ATOM 565 N ASP A 40 4.715 -5.668 -10.566 1.00 0.00 N ATOM 566 CA ASP A 40 4.624 -4.444 -9.777 1.00 0.00 C ATOM 567 C ASP A 40 3.942 -4.710 -8.438 1.00 0.00 C ATOM 568 O ASP A 40 3.416 -5.798 -8.203 1.00 0.00 O ATOM 569 CB ASP A 40 3.858 -3.370 -10.550 1.00 0.00 C ATOM 570 CG ASP A 40 4.541 -2.993 -11.850 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.405 -2.092 -11.827 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.212 -3.600 -12.890 1.00 0.00 O ATOM 0 H ASP A 40 3.983 -6.351 -10.371 1.00 0.00 H new ATOM 0 HA ASP A 40 5.636 -4.089 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.851 -3.729 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.755 -2.482 -9.926 1.00 0.00 H new ATOM 577 N TYR A 41 3.957 -3.709 -7.565 1.00 0.00 N ATOM 578 CA TYR A 41 3.343 -3.836 -6.248 1.00 0.00 C ATOM 579 C TYR A 41 2.192 -2.848 -6.086 1.00 0.00 C ATOM 580 O TYR A 41 2.388 -1.635 -6.150 1.00 0.00 O ATOM 581 CB TYR A 41 4.385 -3.606 -5.152 1.00 0.00 C ATOM 582 CG TYR A 41 5.615 -4.475 -5.294 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.547 -4.234 -6.295 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.843 -5.536 -4.427 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.672 -5.025 -6.429 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.965 -6.332 -4.553 1.00 0.00 C ATOM 587 CZ TYR A 41 7.877 -6.073 -5.555 1.00 0.00 C ATOM 588 OH TYR A 41 8.995 -6.864 -5.684 1.00 0.00 O ATOM 0 H TYR A 41 4.387 -2.802 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 41 2.946 -4.847 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.687 -2.559 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.927 -3.795 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.390 -3.414 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.131 -5.742 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.387 -4.824 -7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.127 -7.153 -3.870 1.00 0.00 H new ATOM 0 HH TYR A 41 9.706 -6.523 -5.102 1.00 0.00 H new ATOM 598 N GLU A 42 0.991 -3.378 -5.876 1.00 0.00 N ATOM 599 CA GLU A 42 -0.192 -2.543 -5.705 1.00 0.00 C ATOM 600 C GLU A 42 -0.365 -2.137 -4.244 1.00 0.00 C ATOM 601 O GLU A 42 -0.225 -2.960 -3.339 1.00 0.00 O ATOM 602 CB GLU A 42 -1.440 -3.282 -6.191 1.00 0.00 C ATOM 603 CG GLU A 42 -2.520 -2.362 -6.734 1.00 0.00 C ATOM 604 CD GLU A 42 -3.451 -3.063 -7.704 1.00 0.00 C ATOM 605 OE1 GLU A 42 -4.030 -4.103 -7.323 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.601 -2.574 -8.843 1.00 0.00 O ATOM 0 H GLU A 42 0.812 -4.381 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.057 -1.641 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.153 -3.990 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.851 -3.864 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.101 -1.961 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.052 -1.514 -7.234 1.00 0.00 H new ATOM 613 N ILE A 43 -0.670 -0.862 -4.022 1.00 0.00 N ATOM 614 CA ILE A 43 -0.863 -0.347 -2.673 1.00 0.00 C ATOM 615 C ILE A 43 -2.218 0.337 -2.534 1.00 0.00 C ATOM 616 O ILE A 43 -2.467 1.374 -3.149 1.00 0.00 O ATOM 617 CB ILE A 43 0.245 0.651 -2.287 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.593 -0.067 -2.180 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.098 1.343 -0.977 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.267 -0.289 -3.516 1.00 0.00 C ATOM 0 H ILE A 43 -0.789 -0.168 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.820 -1.203 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 43 0.319 1.409 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.256 0.515 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.445 -1.031 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.695 2.045 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.039 1.882 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.196 0.598 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.216 -0.802 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.623 -0.897 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.447 0.672 -3.997 1.00 0.00 H new ATOM 632 N ARG A 44 -3.090 -0.249 -1.720 1.00 0.00 N ATOM 633 CA ARG A 44 -4.421 0.305 -1.500 1.00 0.00 C ATOM 634 C ARG A 44 -4.478 1.076 -0.184 1.00 0.00 C ATOM 635 O ARG A 44 -3.910 0.650 0.822 1.00 0.00 O ATOM 636 CB ARG A 44 -5.467 -0.812 -1.493 1.00 0.00 C ATOM 637 CG ARG A 44 -6.899 -0.305 -1.516 1.00 0.00 C ATOM 638 CD ARG A 44 -7.897 -1.453 -1.521 1.00 0.00 C ATOM 639 NE ARG A 44 -9.130 -1.103 -2.220 1.00 0.00 N ATOM 640 CZ ARG A 44 -10.206 -1.882 -2.247 1.00 0.00 C ATOM 641 NH1 ARG A 44 -10.200 -3.049 -1.617 1.00 0.00 N ATOM 642 NH2 ARG A 44 -11.291 -1.494 -2.905 1.00 0.00 N ATOM 0 H ARG A 44 -2.899 -1.107 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.640 0.994 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.305 -1.456 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.323 -1.428 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.076 0.328 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.052 0.316 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.445 -2.324 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.130 -1.735 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.167 -0.212 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.368 -3.351 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.028 -3.645 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.299 -0.597 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.117 -2.093 -2.925 1.00 0.00 H new ATOM 656 N TYR A 45 -5.165 2.213 -0.201 1.00 0.00 N ATOM 657 CA TYR A 45 -5.293 3.046 0.990 1.00 0.00 C ATOM 658 C TYR A 45 -6.694 3.642 1.089 1.00 0.00 C ATOM 659 O TYR A 45 -7.293 4.018 0.082 1.00 0.00 O ATOM 660 CB TYR A 45 -4.250 4.165 0.969 1.00 0.00 C ATOM 661 CG TYR A 45 -4.340 5.054 -0.251 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.715 4.699 -1.440 1.00 0.00 C ATOM 663 CD2 TYR A 45 -5.048 6.248 -0.214 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.793 5.508 -2.557 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.133 7.063 -1.327 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.503 6.688 -2.496 1.00 0.00 C ATOM 667 OH TYR A 45 -4.584 7.498 -3.605 1.00 0.00 O ATOM 0 H TYR A 45 -5.641 2.579 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.123 2.417 1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.368 4.777 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.255 3.723 1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.159 3.775 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.541 6.545 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.300 5.218 -3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.689 7.988 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.122 8.289 -3.393 1.00 0.00 H new ATOM 677 N TYR A 46 -7.208 3.725 2.311 1.00 0.00 N ATOM 678 CA TYR A 46 -8.539 4.274 2.543 1.00 0.00 C ATOM 679 C TYR A 46 -8.616 4.958 3.905 1.00 0.00 C ATOM 680 O TYR A 46 -7.769 4.739 4.770 1.00 0.00 O ATOM 681 CB TYR A 46 -9.592 3.168 2.456 1.00 0.00 C ATOM 682 CG TYR A 46 -9.340 2.016 3.403 1.00 0.00 C ATOM 683 CD1 TYR A 46 -8.519 0.957 3.037 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.924 1.987 4.664 1.00 0.00 C ATOM 685 CE1 TYR A 46 -8.287 -0.098 3.898 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.696 0.937 5.532 1.00 0.00 C ATOM 687 CZ TYR A 46 -8.877 -0.103 5.145 1.00 0.00 C ATOM 688 OH TYR A 46 -8.648 -1.152 6.006 1.00 0.00 O ATOM 0 H TYR A 46 -6.724 3.420 3.155 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.737 5.017 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.573 3.594 2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.624 2.788 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.054 0.958 2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.567 2.799 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.647 -0.914 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.157 0.930 6.509 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.136 -1.001 6.842 1.00 0.00 H new ATOM 698 N GLU A 47 -9.638 5.788 4.086 1.00 0.00 N ATOM 699 CA GLU A 47 -9.826 6.505 5.342 1.00 0.00 C ATOM 700 C GLU A 47 -10.155 5.539 6.476 1.00 0.00 C ATOM 701 O GLU A 47 -10.955 4.619 6.311 1.00 0.00 O ATOM 702 CB GLU A 47 -10.942 7.542 5.200 1.00 0.00 C ATOM 703 CG GLU A 47 -10.510 8.807 4.478 1.00 0.00 C ATOM 704 CD GLU A 47 -9.848 9.810 5.402 1.00 0.00 C ATOM 705 OE1 GLU A 47 -9.185 9.379 6.369 1.00 0.00 O ATOM 706 OE2 GLU A 47 -9.992 11.026 5.158 1.00 0.00 O ATOM 0 H GLU A 47 -10.348 5.981 3.380 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.894 7.016 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.777 7.093 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.308 7.807 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.819 8.545 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.380 9.269 4.010 1.00 0.00 H new ATOM 713 N LYS A 48 -9.530 5.755 7.629 1.00 0.00 N ATOM 714 CA LYS A 48 -9.755 4.906 8.792 1.00 0.00 C ATOM 715 C LYS A 48 -11.222 4.934 9.212 1.00 0.00 C ATOM 716 O LYS A 48 -11.655 4.134 10.039 1.00 0.00 O ATOM 717 CB LYS A 48 -8.872 5.357 9.958 1.00 0.00 C ATOM 718 CG LYS A 48 -9.377 4.902 11.316 1.00 0.00 C ATOM 719 CD LYS A 48 -8.335 5.121 12.400 1.00 0.00 C ATOM 720 CE LYS A 48 -7.233 4.074 12.334 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.732 2.720 12.701 1.00 0.00 N ATOM 0 H LYS A 48 -8.863 6.512 7.782 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.493 3.884 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.863 4.973 9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.804 6.445 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.286 5.447 11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.641 3.845 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.901 6.115 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.814 5.086 13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.817 4.047 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.423 4.357 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.928 2.112 12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.380 2.797 13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.236 2.305 11.892 1.00 0.00 H new ATOM 735 N GLU A 49 -11.980 5.861 8.634 1.00 0.00 N ATOM 736 CA GLU A 49 -13.397 5.992 8.948 1.00 0.00 C ATOM 737 C GLU A 49 -14.259 5.582 7.758 1.00 0.00 C ATOM 738 O GLU A 49 -15.468 5.818 7.741 1.00 0.00 O ATOM 739 CB GLU A 49 -13.722 7.432 9.354 1.00 0.00 C ATOM 740 CG GLU A 49 -12.841 7.961 10.474 1.00 0.00 C ATOM 741 CD GLU A 49 -13.409 7.672 11.849 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.382 8.350 12.243 1.00 0.00 O ATOM 743 OE2 GLU A 49 -12.881 6.770 12.533 1.00 0.00 O ATOM 0 H GLU A 49 -11.636 6.531 7.946 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.620 5.327 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.616 8.079 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.765 7.486 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.850 7.514 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.716 9.037 10.355 1.00 0.00 H new ATOM 750 N HIS A 50 -13.628 4.967 6.762 1.00 0.00 N ATOM 751 CA HIS A 50 -14.336 4.523 5.567 1.00 0.00 C ATOM 752 C HIS A 50 -14.203 3.014 5.385 1.00 0.00 C ATOM 753 O HIS A 50 -13.630 2.326 6.229 1.00 0.00 O ATOM 754 CB HIS A 50 -13.799 5.247 4.332 1.00 0.00 C ATOM 755 CG HIS A 50 -14.393 6.606 4.128 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.329 7.284 2.929 1.00 0.00 N ATOM 757 CD2 HIS A 50 -15.066 7.415 4.980 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.937 8.451 3.052 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.393 8.554 4.287 1.00 0.00 N ATOM 0 H HIS A 50 -12.628 4.765 6.759 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.392 4.764 5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.717 5.342 4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.996 4.638 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.302 7.204 6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.043 9.194 2.275 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.905 9.351 4.665 1.00 0.00 H new ATOM 768 N ASN A 51 -14.736 2.507 4.278 1.00 0.00 N ATOM 769 CA ASN A 51 -14.678 1.079 3.987 1.00 0.00 C ATOM 770 C ASN A 51 -13.750 0.802 2.808 1.00 0.00 C ATOM 771 O ASN A 51 -13.293 1.726 2.135 1.00 0.00 O ATOM 772 CB ASN A 51 -16.078 0.541 3.685 1.00 0.00 C ATOM 773 CG ASN A 51 -16.938 0.437 4.930 1.00 0.00 C ATOM 774 OD1 ASN A 51 -17.845 1.242 5.140 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.655 -0.557 5.763 1.00 0.00 N ATOM 0 H ASN A 51 -15.213 3.063 3.568 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.283 0.570 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.567 1.194 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.994 -0.442 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.199 -0.677 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.894 -1.201 5.548 1.00 0.00 H new ATOM 782 N GLU A 52 -13.476 -0.476 2.564 1.00 0.00 N ATOM 783 CA GLU A 52 -12.603 -0.874 1.466 1.00 0.00 C ATOM 784 C GLU A 52 -13.230 -0.528 0.119 1.00 0.00 C ATOM 785 O GLU A 52 -12.574 -0.596 -0.920 1.00 0.00 O ATOM 786 CB GLU A 52 -12.311 -2.374 1.536 1.00 0.00 C ATOM 787 CG GLU A 52 -11.663 -2.808 2.840 1.00 0.00 C ATOM 788 CD GLU A 52 -11.951 -4.258 3.180 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.067 -5.075 2.243 1.00 0.00 O ATOM 790 OE2 GLU A 52 -12.060 -4.575 4.383 1.00 0.00 O ATOM 0 H GLU A 52 -13.846 -1.253 3.112 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.667 -0.324 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.243 -2.924 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.658 -2.648 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.585 -2.662 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.021 -2.171 3.649 1.00 0.00 H new ATOM 797 N PHE A 53 -14.506 -0.158 0.145 1.00 0.00 N ATOM 798 CA PHE A 53 -15.224 0.196 -1.074 1.00 0.00 C ATOM 799 C PHE A 53 -14.710 1.515 -1.644 1.00 0.00 C ATOM 800 O PHE A 53 -14.180 1.558 -2.754 1.00 0.00 O ATOM 801 CB PHE A 53 -16.725 0.300 -0.795 1.00 0.00 C ATOM 802 CG PHE A 53 -17.398 -1.033 -0.632 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.624 -1.849 -1.728 1.00 0.00 C ATOM 804 CD2 PHE A 53 -17.805 -1.470 0.619 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.242 -3.077 -1.582 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.423 -2.697 0.772 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.643 -3.500 -0.330 1.00 0.00 C ATOM 0 H PHE A 53 -15.064 -0.095 0.997 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.051 -0.590 -1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.878 0.889 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.202 0.841 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.313 -1.522 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.637 -0.845 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.411 -3.704 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.733 -3.027 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.128 -4.458 -0.213 1.00 0.00 H new ATOM 817 N ASN A 54 -14.871 2.588 -0.877 1.00 0.00 N ATOM 818 CA ASN A 54 -14.424 3.908 -1.306 1.00 0.00 C ATOM 819 C ASN A 54 -12.942 4.106 -1.001 1.00 0.00 C ATOM 820 O ASN A 54 -12.574 4.939 -0.172 1.00 0.00 O ATOM 821 CB ASN A 54 -15.248 4.997 -0.616 1.00 0.00 C ATOM 822 CG ASN A 54 -15.388 6.243 -1.469 1.00 0.00 C ATOM 823 OD1 ASN A 54 -15.043 6.242 -2.651 1.00 0.00 O ATOM 824 ND2 ASN A 54 -15.896 7.315 -0.871 1.00 0.00 N ATOM 0 H ASN A 54 -15.308 2.569 0.045 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.568 3.981 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.239 4.606 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.777 5.259 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.014 8.183 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.168 7.270 0.111 1.00 0.00 H new ATOM 831 N SER A 55 -12.096 3.336 -1.677 1.00 0.00 N ATOM 832 CA SER A 55 -10.655 3.424 -1.477 1.00 0.00 C ATOM 833 C SER A 55 -9.940 3.718 -2.792 1.00 0.00 C ATOM 834 O SER A 55 -10.561 3.751 -3.855 1.00 0.00 O ATOM 835 CB SER A 55 -10.122 2.123 -0.873 1.00 0.00 C ATOM 836 OG SER A 55 -10.999 1.625 0.122 1.00 0.00 O ATOM 0 H SER A 55 -12.384 2.644 -2.368 1.00 0.00 H new ATOM 0 HA SER A 55 -10.459 4.244 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.998 1.378 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.137 2.296 -0.440 1.00 0.00 H new ATOM 0 HG SER A 55 -11.487 2.370 0.531 1.00 0.00 H new ATOM 842 N SER A 56 -8.631 3.931 -2.712 1.00 0.00 N ATOM 843 CA SER A 56 -7.831 4.226 -3.895 1.00 0.00 C ATOM 844 C SER A 56 -6.450 3.586 -3.791 1.00 0.00 C ATOM 845 O SER A 56 -5.729 3.796 -2.816 1.00 0.00 O ATOM 846 CB SER A 56 -7.692 5.739 -4.078 1.00 0.00 C ATOM 847 OG SER A 56 -8.962 6.363 -4.148 1.00 0.00 O ATOM 0 H SER A 56 -8.102 3.905 -1.841 1.00 0.00 H new ATOM 0 HA SER A 56 -8.342 3.807 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.123 6.158 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.130 5.948 -4.988 1.00 0.00 H new ATOM 0 HG SER A 56 -8.846 7.329 -4.263 1.00 0.00 H new ATOM 853 N MET A 57 -6.089 2.805 -4.803 1.00 0.00 N ATOM 854 CA MET A 57 -4.794 2.135 -4.827 1.00 0.00 C ATOM 855 C MET A 57 -3.880 2.754 -5.879 1.00 0.00 C ATOM 856 O MET A 57 -4.335 3.490 -6.754 1.00 0.00 O ATOM 857 CB MET A 57 -4.973 0.641 -5.106 1.00 0.00 C ATOM 858 CG MET A 57 -5.975 0.346 -6.211 1.00 0.00 C ATOM 859 SD MET A 57 -5.660 -1.228 -7.032 1.00 0.00 S ATOM 860 CE MET A 57 -6.083 -2.381 -5.728 1.00 0.00 C ATOM 0 H MET A 57 -6.675 2.620 -5.617 1.00 0.00 H new ATOM 0 HA MET A 57 -4.330 2.262 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.008 0.212 -5.377 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.297 0.145 -4.191 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.981 0.337 -5.791 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.944 1.148 -6.948 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.199 -3.380 -6.149 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.290 -2.392 -4.980 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.018 -2.074 -5.260 1.00 0.00 H new ATOM 870 N ALA A 58 -2.589 2.452 -5.787 1.00 0.00 N ATOM 871 CA ALA A 58 -1.612 2.979 -6.732 1.00 0.00 C ATOM 872 C ALA A 58 -0.619 1.900 -7.153 1.00 0.00 C ATOM 873 O ALA A 58 -0.437 0.904 -6.453 1.00 0.00 O ATOM 874 CB ALA A 58 -0.879 4.167 -6.127 1.00 0.00 C ATOM 0 H ALA A 58 -2.195 1.845 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.147 3.312 -7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.153 4.550 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.596 4.951 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.362 3.852 -5.220 1.00 0.00 H new ATOM 880 N ARG A 59 0.020 2.106 -8.300 1.00 0.00 N ATOM 881 CA ARG A 59 0.993 1.150 -8.814 1.00 0.00 C ATOM 882 C ARG A 59 2.405 1.515 -8.363 1.00 0.00 C ATOM 883 O ARG A 59 2.762 2.691 -8.300 1.00 0.00 O ATOM 884 CB ARG A 59 0.932 1.100 -10.342 1.00 0.00 C ATOM 885 CG ARG A 59 -0.092 0.113 -10.878 1.00 0.00 C ATOM 886 CD ARG A 59 -0.281 0.266 -12.379 1.00 0.00 C ATOM 887 NE ARG A 59 -0.864 1.559 -12.728 1.00 0.00 N ATOM 888 CZ ARG A 59 -1.423 1.820 -13.905 1.00 0.00 C ATOM 889 NH1 ARG A 59 -1.476 0.881 -14.840 1.00 0.00 N ATOM 890 NH2 ARG A 59 -1.932 3.021 -14.147 1.00 0.00 N ATOM 0 H ARG A 59 -0.119 2.926 -8.891 1.00 0.00 H new ATOM 0 HA ARG A 59 0.745 0.167 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.698 2.095 -10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.916 0.835 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.229 -0.904 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.046 0.266 -10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.681 0.155 -12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.925 -0.533 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.841 2.302 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.087 -0.044 -14.656 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.906 1.084 -15.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.894 3.745 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.361 3.221 -15.051 1.00 0.00 H new ATOM 904 N SER A 60 3.201 0.498 -8.050 1.00 0.00 N ATOM 905 CA SER A 60 4.572 0.711 -7.600 1.00 0.00 C ATOM 906 C SER A 60 5.538 -0.204 -8.347 1.00 0.00 C ATOM 907 O SER A 60 5.407 -1.427 -8.305 1.00 0.00 O ATOM 908 CB SER A 60 4.681 0.467 -6.094 1.00 0.00 C ATOM 909 OG SER A 60 5.936 0.898 -5.597 1.00 0.00 O ATOM 0 H SER A 60 2.921 -0.481 -8.100 1.00 0.00 H new ATOM 0 HA SER A 60 4.841 1.745 -7.813 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.880 0.997 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.548 -0.594 -5.884 1.00 0.00 H new ATOM 0 HG SER A 60 6.502 0.118 -5.417 1.00 0.00 H new ATOM 915 N GLN A 61 6.506 0.398 -9.030 1.00 0.00 N ATOM 916 CA GLN A 61 7.493 -0.362 -9.787 1.00 0.00 C ATOM 917 C GLN A 61 8.647 -0.800 -8.891 1.00 0.00 C ATOM 918 O GLN A 61 9.673 -1.282 -9.372 1.00 0.00 O ATOM 919 CB GLN A 61 8.026 0.472 -10.953 1.00 0.00 C ATOM 920 CG GLN A 61 6.988 0.744 -12.030 1.00 0.00 C ATOM 921 CD GLN A 61 7.611 1.021 -13.384 1.00 0.00 C ATOM 922 OE1 GLN A 61 7.866 2.172 -13.739 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.860 -0.035 -14.149 1.00 0.00 N ATOM 0 H GLN A 61 6.628 1.410 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 61 7.004 -1.253 -10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.397 1.422 -10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.875 -0.045 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.320 -0.114 -12.110 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.378 1.597 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.633 -0.972 -13.815 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.279 0.090 -15.071 1.00 0.00 H new ATOM 932 N THR A 62 8.472 -0.630 -7.584 1.00 0.00 N ATOM 933 CA THR A 62 9.499 -1.006 -6.620 1.00 0.00 C ATOM 934 C THR A 62 8.884 -1.355 -5.270 1.00 0.00 C ATOM 935 O THR A 62 7.670 -1.271 -5.090 1.00 0.00 O ATOM 936 CB THR A 62 10.528 0.124 -6.426 1.00 0.00 C ATOM 937 OG1 THR A 62 11.398 -0.188 -5.333 1.00 0.00 O ATOM 938 CG2 THR A 62 9.832 1.451 -6.164 1.00 0.00 C ATOM 0 H THR A 62 7.629 -0.234 -7.169 1.00 0.00 H new ATOM 0 HA THR A 62 10.005 -1.883 -7.023 1.00 0.00 H new ATOM 0 HB THR A 62 11.113 0.213 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.005 -0.911 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.579 2.233 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.193 1.700 -7.011 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.225 1.371 -5.262 1.00 0.00 H new ATOM 946 N ASN A 63 9.731 -1.746 -4.323 1.00 0.00 N ATOM 947 CA ASN A 63 9.270 -2.107 -2.987 1.00 0.00 C ATOM 948 C ASN A 63 9.100 -0.867 -2.115 1.00 0.00 C ATOM 949 O ASN A 63 9.108 -0.951 -0.887 1.00 0.00 O ATOM 950 CB ASN A 63 10.255 -3.076 -2.330 1.00 0.00 C ATOM 951 CG ASN A 63 9.923 -4.526 -2.623 1.00 0.00 C ATOM 952 OD1 ASN A 63 10.225 -5.038 -3.702 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.298 -5.196 -1.662 1.00 0.00 N ATOM 0 H ASN A 63 10.740 -1.821 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 63 8.300 -2.595 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.263 -2.859 -2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.253 -2.916 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.049 -6.175 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.067 -4.732 -0.784 1.00 0.00 H new ATOM 960 N THR A 64 8.947 0.286 -2.760 1.00 0.00 N ATOM 961 CA THR A 64 8.777 1.545 -2.044 1.00 0.00 C ATOM 962 C THR A 64 7.855 2.490 -2.806 1.00 0.00 C ATOM 963 O THR A 64 8.131 2.853 -3.949 1.00 0.00 O ATOM 964 CB THR A 64 10.129 2.244 -1.808 1.00 0.00 C ATOM 965 OG1 THR A 64 9.917 3.539 -1.234 1.00 0.00 O ATOM 966 CG2 THR A 64 10.902 2.381 -3.111 1.00 0.00 C ATOM 0 H THR A 64 8.937 0.374 -3.776 1.00 0.00 H new ATOM 0 HA THR A 64 8.329 1.303 -1.080 1.00 0.00 H new ATOM 0 HB THR A 64 10.714 1.634 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.781 3.976 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.853 2.878 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.087 1.392 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.320 2.972 -3.819 1.00 0.00 H new ATOM 974 N ALA A 65 6.760 2.885 -2.166 1.00 0.00 N ATOM 975 CA ALA A 65 5.798 3.790 -2.783 1.00 0.00 C ATOM 976 C ALA A 65 5.287 4.816 -1.778 1.00 0.00 C ATOM 977 O ALA A 65 5.177 4.530 -0.585 1.00 0.00 O ATOM 978 CB ALA A 65 4.638 3.004 -3.375 1.00 0.00 C ATOM 0 H ALA A 65 6.517 2.592 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 65 6.304 4.327 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.928 3.693 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.014 2.315 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.140 2.440 -2.586 1.00 0.00 H new ATOM 984 N ARG A 66 4.976 6.013 -2.266 1.00 0.00 N ATOM 985 CA ARG A 66 4.478 7.082 -1.409 1.00 0.00 C ATOM 986 C ARG A 66 3.072 7.503 -1.828 1.00 0.00 C ATOM 987 O ARG A 66 2.825 7.800 -2.997 1.00 0.00 O ATOM 988 CB ARG A 66 5.420 8.286 -1.461 1.00 0.00 C ATOM 989 CG ARG A 66 4.874 9.517 -0.757 1.00 0.00 C ATOM 990 CD ARG A 66 5.394 10.798 -1.389 1.00 0.00 C ATOM 991 NE ARG A 66 6.801 11.033 -1.073 1.00 0.00 N ATOM 992 CZ ARG A 66 7.535 11.980 -1.645 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.999 12.778 -2.558 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.808 12.131 -1.304 1.00 0.00 N ATOM 0 H ARG A 66 5.060 6.266 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 66 4.437 6.706 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.373 8.011 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.622 8.534 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.785 9.507 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.155 9.490 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.269 10.745 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.798 11.642 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 66 7.244 10.436 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.020 12.665 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.565 13.505 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.224 11.519 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.371 12.859 -1.744 1.00 0.00 H new ATOM 1008 N ILE A 67 2.157 7.527 -0.865 1.00 0.00 N ATOM 1009 CA ILE A 67 0.777 7.912 -1.134 1.00 0.00 C ATOM 1010 C ILE A 67 0.589 9.419 -0.989 1.00 0.00 C ATOM 1011 O ILE A 67 0.852 9.989 0.070 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.203 7.191 -0.189 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.250 5.749 0.046 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.612 7.223 -0.763 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.240 4.900 -1.207 1.00 0.00 C ATOM 0 H ILE A 67 2.346 7.285 0.108 1.00 0.00 H new ATOM 0 HA ILE A 67 0.562 7.618 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.210 7.710 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.257 5.757 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.399 5.290 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.293 6.710 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.932 8.258 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.621 6.724 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.573 3.891 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.771 4.862 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.911 5.336 -1.947 1.00 0.00 H new ATOM 1027 N ASP A 68 0.130 10.057 -2.060 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.097 11.498 -2.052 1.00 0.00 C ATOM 1029 C ASP A 68 -1.578 11.816 -2.227 1.00 0.00 C ATOM 1030 O ASP A 68 -2.304 11.087 -2.902 1.00 0.00 O ATOM 1031 CB ASP A 68 0.716 12.170 -3.160 1.00 0.00 C ATOM 1032 CG ASP A 68 2.129 12.503 -2.720 1.00 0.00 C ATOM 1033 OD1 ASP A 68 2.868 11.571 -2.340 1.00 0.00 O ATOM 1034 OD2 ASP A 68 2.495 13.697 -2.758 1.00 0.00 O ATOM 0 H ASP A 68 -0.092 9.600 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 68 0.228 11.887 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.754 11.512 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.211 13.084 -3.474 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.021 12.909 -1.613 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.414 13.304 -1.712 1.00 0.00 C ATOM 1041 C GLY A 69 -4.152 13.159 -0.396 1.00 0.00 C ATOM 1042 O GLY A 69 -5.271 12.645 -0.357 1.00 0.00 O ATOM 0 H GLY A 69 -1.440 13.528 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.472 14.340 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.908 12.697 -2.471 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.527 13.612 0.684 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.131 13.530 2.009 1.00 0.00 C ATOM 1048 C LEU A 70 -3.986 14.851 2.758 1.00 0.00 C ATOM 1049 O LEU A 70 -3.388 15.800 2.251 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.487 12.400 2.816 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.113 11.143 2.030 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -2.181 10.261 2.846 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.363 10.374 1.627 1.00 0.00 C ATOM 0 H LEU A 70 -2.601 14.040 0.669 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.193 13.320 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.586 12.788 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.172 12.115 3.614 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.590 11.447 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.926 9.371 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.272 10.813 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.677 9.965 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.078 9.483 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.914 10.081 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.994 11.007 1.003 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.535 14.904 3.967 1.00 0.00 N ATOM 1066 CA ARG A 71 -4.466 16.108 4.785 1.00 0.00 C ATOM 1067 C ARG A 71 -3.697 15.844 6.077 1.00 0.00 C ATOM 1068 O ARG A 71 -3.601 14.712 6.551 1.00 0.00 O ATOM 1069 CB ARG A 71 -5.873 16.611 5.110 1.00 0.00 C ATOM 1070 CG ARG A 71 -6.574 17.266 3.931 1.00 0.00 C ATOM 1071 CD ARG A 71 -6.197 18.733 3.804 1.00 0.00 C ATOM 1072 NE ARG A 71 -7.026 19.586 4.651 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.337 19.728 4.493 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -8.965 19.077 3.524 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.023 20.523 5.304 1.00 0.00 N ATOM 0 H ARG A 71 -5.033 14.127 4.402 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.937 16.873 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.477 15.774 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.813 17.327 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.311 16.741 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.653 17.176 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.149 18.863 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.299 19.045 2.765 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.573 20.101 5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.441 18.465 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.972 19.188 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.544 21.026 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.030 20.631 5.181 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.136 16.913 6.661 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.366 16.823 7.905 1.00 0.00 C ATOM 1091 C PRO A 72 -3.246 16.505 9.109 1.00 0.00 C ATOM 1092 O PRO A 72 -4.244 17.180 9.356 1.00 0.00 O ATOM 1093 CB PRO A 72 -1.752 18.218 8.044 1.00 0.00 C ATOM 1094 CG PRO A 72 -2.673 19.114 7.291 1.00 0.00 C ATOM 1095 CD PRO A 72 -3.210 18.293 6.151 1.00 0.00 C ATOM 0 HA PRO A 72 -1.629 16.020 7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.678 18.515 9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.744 18.250 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.481 19.469 7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.147 19.995 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.233 18.574 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.613 18.420 5.248 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.868 15.472 9.856 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.634 15.083 11.026 1.00 0.00 C ATOM 1105 C GLY A 73 -4.745 14.108 10.693 1.00 0.00 C ATOM 1106 O GLY A 73 -5.871 14.254 11.168 1.00 0.00 O ATOM 0 H GLY A 73 -2.045 14.898 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.966 14.632 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.062 15.972 11.489 1.00 0.00 H new ATOM 1110 N MET A 74 -4.430 13.110 9.874 1.00 0.00 N ATOM 1111 CA MET A 74 -5.412 12.107 9.478 1.00 0.00 C ATOM 1112 C MET A 74 -4.786 10.716 9.449 1.00 0.00 C ATOM 1113 O MET A 74 -3.624 10.554 9.077 1.00 0.00 O ATOM 1114 CB MET A 74 -5.993 12.446 8.104 1.00 0.00 C ATOM 1115 CG MET A 74 -7.204 13.362 8.166 1.00 0.00 C ATOM 1116 SD MET A 74 -8.752 12.455 8.350 1.00 0.00 S ATOM 1117 CE MET A 74 -9.229 12.932 10.009 1.00 0.00 C ATOM 0 H MET A 74 -3.503 12.974 9.472 1.00 0.00 H new ATOM 0 HA MET A 74 -6.215 12.110 10.215 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.220 12.919 7.498 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.272 11.522 7.599 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.090 14.052 9.002 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.246 13.964 7.259 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.171 12.450 10.269 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.456 12.623 10.713 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.350 14.014 10.056 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.565 9.714 9.845 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.087 8.336 9.864 1.00 0.00 C ATOM 1129 C VAL A 75 -5.627 7.551 8.674 1.00 0.00 C ATOM 1130 O VAL A 75 -6.834 7.520 8.433 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.494 7.619 11.165 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.780 6.281 11.283 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.200 8.498 12.372 1.00 0.00 C ATOM 0 H VAL A 75 -6.529 9.830 10.157 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.999 8.377 9.805 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.567 7.430 11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.080 5.789 12.208 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.046 5.651 10.434 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.702 6.443 11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.494 7.976 13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.134 8.720 12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.762 9.428 12.290 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.725 6.918 7.932 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.110 6.134 6.765 1.00 0.00 C ATOM 1145 C TYR A 76 -4.527 4.726 6.838 1.00 0.00 C ATOM 1146 O TYR A 76 -3.375 4.537 7.229 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.642 6.825 5.483 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.263 8.186 5.268 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.743 9.316 5.887 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.371 8.343 4.443 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.308 10.561 5.694 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.942 9.585 4.243 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.407 10.691 4.871 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.972 11.930 4.674 1.00 0.00 O ATOM 0 H TYR A 76 -3.722 6.933 8.118 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.197 6.058 6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.557 6.930 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.878 6.188 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.881 9.219 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.792 7.479 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.892 11.428 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.802 9.690 3.599 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.945 11.864 4.767 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.332 3.739 6.458 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.898 2.347 6.479 1.00 0.00 C ATOM 1166 C VAL A 77 -4.385 1.911 5.111 1.00 0.00 C ATOM 1167 O VAL A 77 -5.168 1.652 4.196 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.041 1.408 6.909 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.570 -0.038 6.918 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.576 1.812 8.275 1.00 0.00 C ATOM 0 H VAL A 77 -6.288 3.878 6.132 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.089 2.279 7.207 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.852 1.496 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.391 -0.686 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.239 -0.319 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.742 -0.146 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.383 1.138 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.774 1.754 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.955 2.833 8.230 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.065 1.832 4.977 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.447 1.426 3.721 1.00 0.00 C ATOM 1182 C VAL A 78 -2.086 -0.056 3.740 1.00 0.00 C ATOM 1183 O VAL A 78 -1.740 -0.606 4.784 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.178 2.248 3.428 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.623 1.904 2.055 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.472 3.737 3.536 1.00 0.00 C ATOM 0 H VAL A 78 -2.403 2.044 5.723 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.179 1.609 2.934 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.422 1.995 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.273 2.495 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.373 0.844 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.371 2.126 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.565 4.303 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.244 4.009 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.818 3.967 4.544 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.169 -0.694 2.577 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.851 -2.112 2.460 1.00 0.00 C ATOM 1198 C GLN A 79 -1.125 -2.402 1.151 1.00 0.00 C ATOM 1199 O GLN A 79 -1.477 -1.862 0.102 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.128 -2.951 2.546 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.780 -2.928 3.918 1.00 0.00 C ATOM 1202 CD GLN A 79 -5.240 -3.335 3.878 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.121 -2.508 3.642 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.503 -4.617 4.107 1.00 0.00 N ATOM 0 H GLN A 79 -2.454 -0.252 1.703 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.192 -2.380 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.842 -2.587 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.894 -3.982 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.238 -3.599 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.698 -1.926 4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.741 -5.268 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.467 -4.951 4.091 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.110 -3.256 1.219 1.00 0.00 N ATOM 1214 CA VAL A 80 0.666 -3.618 0.039 1.00 0.00 C ATOM 1215 C VAL A 80 0.462 -5.084 -0.325 1.00 0.00 C ATOM 1216 O VAL A 80 0.221 -5.922 0.545 1.00 0.00 O ATOM 1217 CB VAL A 80 2.169 -3.358 0.253 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.731 -4.307 1.301 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.925 -3.492 -1.060 1.00 0.00 C ATOM 0 H VAL A 80 0.195 -3.711 2.080 1.00 0.00 H new ATOM 0 HA VAL A 80 0.309 -2.991 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 80 2.296 -2.338 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.794 -4.109 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.208 -4.157 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.594 -5.337 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.985 -3.305 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.793 -4.499 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.539 -2.768 -1.777 1.00 0.00 H new ATOM 1229 N ARG A 81 0.561 -5.388 -1.615 1.00 0.00 N ATOM 1230 CA ARG A 81 0.387 -6.754 -2.094 1.00 0.00 C ATOM 1231 C ARG A 81 1.383 -7.072 -3.205 1.00 0.00 C ATOM 1232 O ARG A 81 2.010 -6.173 -3.765 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.042 -6.960 -2.601 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.372 -6.144 -3.840 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.579 -6.708 -4.573 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.833 -6.152 -4.072 1.00 0.00 N ATOM 1237 CZ ARG A 81 -5.005 -6.767 -4.181 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.084 -7.952 -4.770 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -6.103 -6.197 -3.699 1.00 0.00 N ATOM 0 H ARG A 81 0.761 -4.707 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 81 0.571 -7.431 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.191 -8.017 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.741 -6.698 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.568 -5.110 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.512 -6.132 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.488 -6.495 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.595 -7.793 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.807 -5.241 -3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.243 -8.394 -5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.986 -8.422 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.047 -5.286 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.003 -6.670 -3.783 1.00 0.00 H new ATOM 1253 N ALA A 82 1.524 -8.356 -3.517 1.00 0.00 N ATOM 1254 CA ALA A 82 2.443 -8.792 -4.561 1.00 0.00 C ATOM 1255 C ALA A 82 1.687 -9.394 -5.741 1.00 0.00 C ATOM 1256 O ALA A 82 0.970 -10.384 -5.590 1.00 0.00 O ATOM 1257 CB ALA A 82 3.439 -9.796 -4.001 1.00 0.00 C ATOM 0 H ALA A 82 1.013 -9.113 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 82 2.988 -7.919 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.119 -10.113 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.009 -9.333 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.903 -10.663 -3.614 1.00 0.00 H new ATOM 1263 N ARG A 83 1.852 -8.791 -6.913 1.00 0.00 N ATOM 1264 CA ARG A 83 1.183 -9.268 -8.118 1.00 0.00 C ATOM 1265 C ARG A 83 2.186 -9.890 -9.086 1.00 0.00 C ATOM 1266 O ARG A 83 3.266 -9.344 -9.315 1.00 0.00 O ATOM 1267 CB ARG A 83 0.442 -8.119 -8.804 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.344 -8.548 -10.032 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.449 -7.421 -11.048 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.731 -7.921 -12.391 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.793 -7.143 -13.466 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.595 -5.836 -13.356 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.055 -7.671 -14.655 1.00 0.00 N ATOM 0 H ARG A 83 2.443 -7.972 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 83 0.463 -10.033 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.240 -7.660 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.163 -7.354 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.139 -9.410 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.343 -8.864 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.237 -6.732 -10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.483 -6.855 -11.060 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.889 -8.922 -12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.394 -5.426 -12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.643 -5.241 -14.183 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.209 -8.675 -14.744 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.102 -7.072 -15.480 1.00 0.00 H new ATOM 1287 N THR A 84 1.821 -11.036 -9.652 1.00 0.00 N ATOM 1288 CA THR A 84 2.687 -11.734 -10.593 1.00 0.00 C ATOM 1289 C THR A 84 1.914 -12.173 -11.831 1.00 0.00 C ATOM 1290 O THR A 84 0.688 -12.076 -11.876 1.00 0.00 O ATOM 1291 CB THR A 84 3.341 -12.969 -9.945 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.336 -13.926 -9.590 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.134 -12.576 -8.708 1.00 0.00 C ATOM 0 H THR A 84 0.930 -11.501 -9.475 1.00 0.00 H new ATOM 0 HA THR A 84 3.467 -11.031 -10.886 1.00 0.00 H new ATOM 0 HB THR A 84 4.025 -13.412 -10.669 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.760 -14.709 -9.180 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.586 -13.465 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.917 -11.871 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.468 -12.111 -7.982 1.00 0.00 H new ATOM 1301 N VAL A 85 2.638 -12.657 -12.835 1.00 0.00 N ATOM 1302 CA VAL A 85 2.020 -13.113 -14.074 1.00 0.00 C ATOM 1303 C VAL A 85 0.889 -14.097 -13.794 1.00 0.00 C ATOM 1304 O VAL A 85 -0.082 -14.172 -14.546 1.00 0.00 O ATOM 1305 CB VAL A 85 3.050 -13.783 -15.003 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.319 -15.212 -14.558 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.569 -13.746 -16.446 1.00 0.00 C ATOM 0 H VAL A 85 3.654 -12.743 -12.814 1.00 0.00 H new ATOM 0 HA VAL A 85 1.616 -12.230 -14.569 1.00 0.00 H new ATOM 0 HB VAL A 85 3.985 -13.227 -14.942 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.049 -15.670 -15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.710 -15.209 -13.541 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.391 -15.783 -14.588 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.309 -14.224 -17.088 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.621 -14.277 -16.527 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.432 -12.710 -16.758 1.00 0.00 H new ATOM 1317 N ALA A 86 1.022 -14.848 -12.706 1.00 0.00 N ATOM 1318 CA ALA A 86 0.010 -15.826 -12.325 1.00 0.00 C ATOM 1319 C ALA A 86 -1.275 -15.139 -11.876 1.00 0.00 C ATOM 1320 O ALA A 86 -2.365 -15.476 -12.338 1.00 0.00 O ATOM 1321 CB ALA A 86 0.540 -16.731 -11.222 1.00 0.00 C ATOM 0 H ALA A 86 1.820 -14.798 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.220 -16.434 -13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.226 -17.456 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.427 -17.256 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.799 -16.129 -10.351 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.141 -14.174 -10.971 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.300 -13.455 -10.475 1.00 0.00 C ATOM 1329 C GLY A 87 -1.930 -12.378 -9.475 1.00 0.00 C ATOM 1330 O GLY A 87 -0.838 -11.812 -9.537 1.00 0.00 O ATOM 0 H GLY A 87 -0.250 -13.877 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.829 -13.002 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.988 -14.159 -10.008 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.841 -12.093 -8.551 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.606 -11.074 -7.535 1.00 0.00 C ATOM 1336 C TYR A 88 -2.361 -11.710 -6.170 1.00 0.00 C ATOM 1337 O TYR A 88 -2.934 -12.749 -5.846 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.797 -10.117 -7.458 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.786 -9.049 -8.528 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.131 -9.349 -9.840 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.431 -7.740 -8.226 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.122 -8.376 -10.821 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.420 -6.761 -9.201 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.766 -7.083 -10.496 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.755 -6.111 -11.470 1.00 0.00 O ATOM 0 H TYR A 88 -3.749 -12.553 -8.485 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.715 -10.514 -7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.720 -10.691 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.805 -9.638 -6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.411 -10.360 -10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.159 -7.484 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.392 -8.626 -11.836 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.142 -5.748 -8.950 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.483 -5.256 -11.076 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.505 -11.077 -5.374 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.199 -11.594 -4.053 1.00 0.00 C ATOM 1357 C GLY A 89 -2.049 -10.959 -2.970 1.00 0.00 C ATOM 1358 O GLY A 89 -2.602 -9.876 -3.160 1.00 0.00 O ATOM 0 H GLY A 89 -1.018 -10.215 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.352 -12.673 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.146 -11.419 -3.833 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.155 -11.635 -1.831 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.943 -11.131 -0.713 1.00 0.00 C ATOM 1364 C LYS A 90 -2.351 -9.836 -0.169 1.00 0.00 C ATOM 1365 O LYS A 90 -1.267 -9.417 -0.578 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.014 -12.179 0.400 1.00 0.00 C ATOM 1367 CG LYS A 90 -4.120 -13.202 0.204 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.656 -14.367 -0.654 1.00 0.00 C ATOM 1369 CE LYS A 90 -3.040 -15.471 0.191 1.00 0.00 C ATOM 1370 NZ LYS A 90 -4.057 -16.155 1.037 1.00 0.00 N ATOM 0 H LYS A 90 -1.705 -12.534 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.950 -10.924 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.057 -12.698 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.163 -11.674 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.450 -13.573 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.980 -12.724 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.501 -14.766 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.926 -14.015 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.559 -16.201 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.262 -15.050 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.703 -17.093 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.239 -15.587 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.940 -16.264 0.498 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.067 -9.205 0.756 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.611 -7.957 1.356 1.00 0.00 C ATOM 1386 C PHE A 91 -1.845 -8.223 2.649 1.00 0.00 C ATOM 1387 O PHE A 91 -2.223 -9.085 3.441 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.801 -7.036 1.636 1.00 0.00 C ATOM 1389 CG PHE A 91 -4.135 -6.124 0.491 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.147 -5.373 -0.126 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.438 -6.018 0.030 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.453 -4.533 -1.180 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.749 -5.179 -1.024 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.755 -4.436 -1.630 1.00 0.00 C ATOM 0 H PHE A 91 -3.965 -9.538 1.106 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.940 -7.468 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.674 -7.645 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.585 -6.434 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.127 -5.445 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.219 -6.597 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.674 -3.952 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.768 -5.105 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.995 -3.781 -2.454 1.00 0.00 H new ATOM 1404 N SER A 92 -0.764 -7.476 2.853 1.00 0.00 N ATOM 1405 CA SER A 92 0.059 -7.634 4.047 1.00 0.00 C ATOM 1406 C SER A 92 -0.663 -7.098 5.279 1.00 0.00 C ATOM 1407 O SER A 92 -1.668 -6.396 5.168 1.00 0.00 O ATOM 1408 CB SER A 92 1.395 -6.910 3.870 1.00 0.00 C ATOM 1409 OG SER A 92 1.199 -5.523 3.654 1.00 0.00 O ATOM 0 H SER A 92 -0.438 -6.756 2.208 1.00 0.00 H new ATOM 0 HA SER A 92 0.246 -8.698 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.013 -7.060 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.936 -7.340 3.027 1.00 0.00 H new ATOM 0 HG SER A 92 1.879 -5.016 4.145 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.143 -7.435 6.455 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.750 -6.980 7.693 1.00 0.00 C ATOM 1417 C GLY A 93 -1.355 -5.596 7.567 1.00 0.00 C ATOM 1418 O GLY A 93 -0.896 -4.779 6.768 1.00 0.00 O ATOM 0 H GLY A 93 0.688 -8.015 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.524 -7.685 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.002 -6.974 8.482 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.390 -5.331 8.357 1.00 0.00 N ATOM 1423 CA LYS A 94 -3.060 -4.036 8.332 1.00 0.00 C ATOM 1424 C LYS A 94 -2.375 -3.050 9.272 1.00 0.00 C ATOM 1425 O LYS A 94 -2.258 -3.300 10.471 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.531 -4.193 8.724 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.461 -3.240 7.993 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.753 -3.021 8.762 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.798 -4.066 8.404 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.892 -4.124 9.413 1.00 0.00 N ATOM 0 H LYS A 94 -2.783 -5.996 9.023 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.000 -3.644 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.844 -5.218 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.631 -4.033 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.959 -2.284 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.688 -3.639 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.551 -3.058 9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.142 -2.026 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.219 -3.838 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.322 -5.044 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.584 -4.848 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.494 -4.366 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.363 -3.198 9.468 1.00 0.00 H new ATOM 1444 N MET A 95 -1.924 -1.928 8.719 1.00 0.00 N ATOM 1445 CA MET A 95 -1.253 -0.903 9.510 1.00 0.00 C ATOM 1446 C MET A 95 -1.950 0.445 9.356 1.00 0.00 C ATOM 1447 O MET A 95 -2.678 0.672 8.389 1.00 0.00 O ATOM 1448 CB MET A 95 0.213 -0.783 9.089 1.00 0.00 C ATOM 1449 CG MET A 95 1.132 -0.326 10.211 1.00 0.00 C ATOM 1450 SD MET A 95 1.532 -1.653 11.364 1.00 0.00 S ATOM 1451 CE MET A 95 3.045 -2.285 10.641 1.00 0.00 C ATOM 0 H MET A 95 -2.011 -1.706 7.727 1.00 0.00 H new ATOM 0 HA MET A 95 -1.300 -1.199 10.558 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.557 -1.749 8.720 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.288 -0.080 8.260 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.054 0.068 9.783 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.658 0.491 10.754 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.417 -3.114 11.243 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.846 -2.633 9.628 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.793 -1.493 10.612 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.723 1.336 10.316 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.331 2.661 10.287 1.00 0.00 C ATOM 1463 C CYS A 96 -1.262 3.750 10.311 1.00 0.00 C ATOM 1464 O CYS A 96 -0.543 3.907 11.297 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.280 2.836 11.474 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.498 2.591 13.086 1.00 0.00 S ATOM 0 H CYS A 96 -1.123 1.164 11.123 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.898 2.753 9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.708 3.838 11.438 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.106 2.132 11.372 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.304 3.106 13.072 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.163 4.498 9.217 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.181 5.570 9.110 1.00 0.00 C ATOM 1474 C PHE A 97 -0.867 6.932 9.045 1.00 0.00 C ATOM 1475 O PHE A 97 -1.741 7.158 8.210 1.00 0.00 O ATOM 1476 CB PHE A 97 0.694 5.367 7.872 1.00 0.00 C ATOM 1477 CG PHE A 97 1.200 3.961 7.718 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.326 3.537 8.404 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.549 3.064 6.887 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.793 2.244 8.266 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.011 1.769 6.745 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.136 1.359 7.434 1.00 0.00 C ATOM 0 H PHE A 97 -1.751 4.381 8.392 1.00 0.00 H new ATOM 0 HA PHE A 97 0.448 5.542 9.999 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.122 5.638 6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.544 6.047 7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.845 4.225 9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.329 3.380 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.671 1.926 8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.493 1.078 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.501 0.349 7.322 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.463 7.834 9.934 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.039 9.173 9.978 1.00 0.00 C ATOM 1494 C GLN A 98 -0.066 10.203 9.415 1.00 0.00 C ATOM 1495 O GLN A 98 1.149 10.002 9.435 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.416 9.541 11.414 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.296 9.308 12.416 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.663 9.758 13.816 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.446 9.035 14.790 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.222 10.958 13.926 1.00 0.00 N ATOM 0 H GLN A 98 0.260 7.662 10.633 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.938 9.175 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.709 10.590 11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.287 8.958 11.713 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.044 8.248 12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.596 9.842 12.089 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.384 11.524 13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.490 11.314 14.844 1.00 0.00 H new ATOM 1509 N THR A 99 -0.607 11.308 8.912 1.00 0.00 N ATOM 1510 CA THR A 99 0.212 12.370 8.342 1.00 0.00 C ATOM 1511 C THR A 99 0.607 13.390 9.403 1.00 0.00 C ATOM 1512 O THR A 99 0.135 13.334 10.540 1.00 0.00 O ATOM 1513 CB THR A 99 -0.522 13.094 7.198 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.639 13.824 7.718 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.003 12.102 6.150 1.00 0.00 C ATOM 0 H THR A 99 -1.610 11.491 8.888 1.00 0.00 H new ATOM 0 HA THR A 99 1.110 11.897 7.945 1.00 0.00 H new ATOM 0 HB THR A 99 0.177 13.785 6.727 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.368 13.817 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.518 12.637 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.148 11.568 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.688 11.390 6.610 1.00 0.00 H new ATOM 1523 N LEU A 100 1.475 14.322 9.027 1.00 0.00 N ATOM 1524 CA LEU A 100 1.934 15.357 9.947 1.00 0.00 C ATOM 1525 C LEU A 100 0.804 16.326 10.284 1.00 0.00 C ATOM 1526 O LEU A 100 0.158 16.878 9.393 1.00 0.00 O ATOM 1527 CB LEU A 100 3.112 16.121 9.341 1.00 0.00 C ATOM 1528 CG LEU A 100 4.501 15.551 9.630 1.00 0.00 C ATOM 1529 CD1 LEU A 100 4.604 14.117 9.134 1.00 0.00 C ATOM 1530 CD2 LEU A 100 5.577 16.417 8.989 1.00 0.00 C ATOM 0 H LEU A 100 1.876 14.383 8.091 1.00 0.00 H new ATOM 0 HA LEU A 100 2.259 14.872 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.976 16.162 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.079 17.148 9.705 1.00 0.00 H new ATOM 0 HG LEU A 100 4.656 15.553 10.709 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.600 13.728 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.858 13.503 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.428 14.090 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.559 15.996 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.425 16.448 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.519 17.428 9.392 1.00 0.00 H new ATOM 1542 N THR A 101 0.572 16.530 11.577 1.00 0.00 N ATOM 1543 CA THR A 101 -0.478 17.432 12.032 1.00 0.00 C ATOM 1544 C THR A 101 -0.033 18.887 11.934 1.00 0.00 C ATOM 1545 O THR A 101 -0.852 19.784 11.733 1.00 0.00 O ATOM 1546 CB THR A 101 -0.887 17.130 13.486 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.277 17.043 14.315 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.672 15.829 13.567 1.00 0.00 C ATOM 0 H THR A 101 1.098 16.082 12.328 1.00 0.00 H new ATOM 0 HA THR A 101 -1.337 17.272 11.380 1.00 0.00 H new ATOM 0 HB THR A 101 -1.522 17.943 13.838 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.008 16.853 15.238 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.950 15.636 14.603 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.573 15.909 12.958 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.056 15.009 13.198 1.00 0.00 H new ATOM 1556 N ASP A 102 1.268 19.114 12.075 1.00 0.00 N ATOM 1557 CA ASP A 102 1.822 20.461 12.000 1.00 0.00 C ATOM 1558 C ASP A 102 1.154 21.380 13.018 1.00 0.00 C ATOM 1559 O ASP A 102 0.676 22.461 12.673 1.00 0.00 O ATOM 1560 CB ASP A 102 1.650 21.029 10.591 1.00 0.00 C ATOM 1561 CG ASP A 102 2.448 22.300 10.377 1.00 0.00 C ATOM 1562 OD1 ASP A 102 3.585 22.379 10.886 1.00 0.00 O ATOM 1563 OD2 ASP A 102 1.934 23.216 9.701 1.00 0.00 O ATOM 0 H ASP A 102 1.959 18.383 12.242 1.00 0.00 H new ATOM 0 HA ASP A 102 2.885 20.403 12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.960 20.282 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.594 21.232 10.411 1.00 0.00 H new ATOM 1568 N SER A 103 1.124 20.944 14.273 1.00 0.00 N ATOM 1569 CA SER A 103 0.510 21.725 15.340 1.00 0.00 C ATOM 1570 C SER A 103 1.530 22.062 16.423 1.00 0.00 C ATOM 1571 O SER A 103 1.582 23.189 16.914 1.00 0.00 O ATOM 1572 CB SER A 103 -0.665 20.959 15.951 1.00 0.00 C ATOM 1573 OG SER A 103 -1.871 21.237 15.259 1.00 0.00 O ATOM 0 H SER A 103 1.518 20.053 14.576 1.00 0.00 H new ATOM 0 HA SER A 103 0.142 22.656 14.909 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.462 19.889 15.918 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.774 21.231 17.001 1.00 0.00 H new ATOM 0 HG SER A 103 -2.606 20.734 15.668 1.00 0.00 H new ATOM 1579 N GLY A 104 2.341 21.075 16.790 1.00 0.00 N ATOM 1580 CA GLY A 104 3.350 21.285 17.813 1.00 0.00 C ATOM 1581 C GLY A 104 3.815 19.988 18.444 1.00 0.00 C ATOM 1582 O GLY A 104 3.220 18.928 18.246 1.00 0.00 O ATOM 0 H GLY A 104 2.318 20.134 16.398 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.205 21.799 17.375 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.947 21.938 18.587 1.00 0.00 H new ATOM 1586 N PRO A 105 4.905 20.061 19.222 1.00 0.00 N ATOM 1587 CA PRO A 105 5.474 18.892 19.899 1.00 0.00 C ATOM 1588 C PRO A 105 4.583 18.384 21.027 1.00 0.00 C ATOM 1589 O PRO A 105 4.327 19.096 21.997 1.00 0.00 O ATOM 1590 CB PRO A 105 6.799 19.417 20.459 1.00 0.00 C ATOM 1591 CG PRO A 105 6.589 20.883 20.615 1.00 0.00 C ATOM 1592 CD PRO A 105 5.665 21.291 19.502 1.00 0.00 C ATOM 0 HA PRO A 105 5.587 18.044 19.223 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.039 18.948 21.413 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.627 19.205 19.782 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.154 21.113 21.587 1.00 0.00 H new ATOM 0 HG3 PRO A 105 7.535 21.421 20.554 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.010 22.109 19.803 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.217 21.631 18.626 1.00 0.00 H new ATOM 1600 N SER A 106 4.113 17.148 20.893 1.00 0.00 N ATOM 1601 CA SER A 106 3.247 16.545 21.900 1.00 0.00 C ATOM 1602 C SER A 106 4.070 15.962 23.045 1.00 0.00 C ATOM 1603 O SER A 106 5.289 15.829 22.943 1.00 0.00 O ATOM 1604 CB SER A 106 2.381 15.452 21.270 1.00 0.00 C ATOM 1605 OG SER A 106 1.222 15.209 22.049 1.00 0.00 O ATOM 0 H SER A 106 4.317 16.544 20.097 1.00 0.00 H new ATOM 0 HA SER A 106 2.600 17.325 22.301 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.090 15.749 20.262 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.960 14.533 21.177 1.00 0.00 H new ATOM 0 HG SER A 106 0.684 14.508 21.625 1.00 0.00 H new ATOM 1611 N SER A 107 3.393 15.616 24.135 1.00 0.00 N ATOM 1612 CA SER A 107 4.060 15.051 25.302 1.00 0.00 C ATOM 1613 C SER A 107 3.328 13.806 25.795 1.00 0.00 C ATOM 1614 O SER A 107 2.099 13.766 25.826 1.00 0.00 O ATOM 1615 CB SER A 107 4.139 16.088 26.423 1.00 0.00 C ATOM 1616 OG SER A 107 4.971 15.637 27.478 1.00 0.00 O ATOM 0 H SER A 107 2.383 15.717 24.234 1.00 0.00 H new ATOM 0 HA SER A 107 5.071 14.766 25.010 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.525 17.027 26.027 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.139 16.291 26.806 1.00 0.00 H new ATOM 0 HG SER A 107 5.006 16.319 28.181 1.00 0.00 H new ATOM 1622 N GLY A 108 4.095 12.791 26.182 1.00 0.00 N ATOM 1623 CA GLY A 108 3.504 11.558 26.669 1.00 0.00 C ATOM 1624 C GLY A 108 4.316 10.336 26.288 1.00 0.00 C ATOM 1625 O GLY A 108 4.845 9.640 27.155 1.00 0.00 O ATOM 0 H GLY A 108 5.115 12.801 26.167 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.413 11.606 27.754 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.495 11.459 26.269 1.00 0.00 H new TER 1629 GLY A 108