USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD NoAdj-H: A 39 ALY H : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot -49:sc= 0.355 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.328 F(o=-0.58,f=0.68) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0148 (180deg=-0.222) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0375 (180deg=-0.135) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0306 (180deg=-0.208) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00156 USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 1.26 (180deg=0.811) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.998) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 0.987 (180deg=0.202) USER MOD Single : A 29 GLN : amide:sc= -2.55! C(o=-2.6!,f=-12!) USER MOD Single : A 31 SER OG : rot -47:sc= 0.473 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.552 K(o=0.55,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0369) USER MOD Single : A 40 MET CE :methyl 151:sc= -3.34! (180deg=-4.62!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.63 USER MOD Single : A 42 THR OG1 : rot -80:sc= -3.4! USER MOD Single : A 43 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.8) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 1.16 (180deg=1.02) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0599) USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= -1.63 (180deg=-5.18!) USER MOD Single : A 50 SER OG : rot 88:sc= 1.29 USER MOD Single : A 52 CYS SG : rot 57:sc= 1.06 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 55 GLN : amide:sc= -0.77 K(o=-0.77,f=-2.1!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.064 K(o=-0.064,f=-3.6!) USER MOD Single : A 61 SER OG : rot -125:sc= 0.27 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= -0.29 K(o=-0.29,f=-3.2!) USER MOD Single : A 75 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-6.7!) USER MOD Single : A 76 THR OG1 : rot -147:sc= -2.45! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 176:sc= -5.19! (180deg=-5.28!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 46:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.703 -19.976 34.440 1.00 0.00 N ATOM 2 CA MET A 1 -22.044 -19.953 33.818 1.00 0.00 C ATOM 3 C MET A 1 -22.107 -18.935 32.674 1.00 0.00 C ATOM 4 O MET A 1 -23.188 -18.452 32.327 1.00 0.00 O ATOM 5 CB MET A 1 -23.126 -19.623 34.866 1.00 0.00 C ATOM 6 CG MET A 1 -23.016 -18.223 35.461 1.00 0.00 C ATOM 7 SD MET A 1 -24.410 -17.795 36.530 1.00 0.00 S ATOM 8 CE MET A 1 -24.198 -18.972 37.864 1.00 0.00 C ATOM 0 H1 MET A 1 -20.726 -20.571 35.293 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.014 -20.365 33.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.424 -19.008 34.700 1.00 0.00 H new ATOM 0 HA MET A 1 -22.233 -20.946 33.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.108 -19.733 34.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.069 -20.354 35.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.091 -18.150 36.033 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.949 -17.495 34.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.832 -18.688 38.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.477 -19.967 37.519 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.155 -18.978 38.182 1.00 0.00 H new ATOM 18 N SER A 2 -20.963 -18.642 32.044 1.00 0.00 N ATOM 19 CA SER A 2 -20.918 -17.639 30.983 1.00 0.00 C ATOM 20 C SER A 2 -19.523 -17.533 30.367 1.00 0.00 C ATOM 21 O SER A 2 -19.345 -17.789 29.175 1.00 0.00 O ATOM 22 CB SER A 2 -21.363 -16.263 31.512 1.00 0.00 C ATOM 23 OG SER A 2 -21.319 -15.281 30.491 1.00 0.00 O ATOM 0 H SER A 2 -20.066 -19.082 32.250 1.00 0.00 H new ATOM 0 HA SER A 2 -21.610 -17.961 30.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.376 -16.333 31.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.718 -15.962 32.337 1.00 0.00 H new ATOM 0 HG SER A 2 -21.608 -14.418 30.854 1.00 0.00 H new ATOM 29 N ASP A 3 -18.530 -17.163 31.200 1.00 0.00 N ATOM 30 CA ASP A 3 -17.131 -16.926 30.765 1.00 0.00 C ATOM 31 C ASP A 3 -17.022 -15.562 30.077 1.00 0.00 C ATOM 32 O ASP A 3 -15.946 -15.121 29.658 1.00 0.00 O ATOM 33 CB ASP A 3 -16.605 -18.066 29.857 1.00 0.00 C ATOM 34 CG ASP A 3 -15.157 -17.885 29.435 1.00 0.00 C ATOM 35 OD1 ASP A 3 -14.258 -18.050 30.286 1.00 0.00 O ATOM 36 OD2 ASP A 3 -14.911 -17.593 28.243 1.00 0.00 O ATOM 0 H ASP A 3 -18.673 -17.018 32.200 1.00 0.00 H new ATOM 0 HA ASP A 3 -16.496 -16.920 31.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.706 -19.015 30.384 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.230 -18.128 28.966 1.00 0.00 H new ATOM 41 N GLN A 4 -18.141 -14.870 30.005 1.00 0.00 N ATOM 42 CA GLN A 4 -18.208 -13.560 29.402 1.00 0.00 C ATOM 43 C GLN A 4 -18.621 -12.543 30.448 1.00 0.00 C ATOM 44 O GLN A 4 -18.632 -12.836 31.647 1.00 0.00 O ATOM 45 CB GLN A 4 -19.219 -13.548 28.257 1.00 0.00 C ATOM 46 CG GLN A 4 -18.909 -14.523 27.146 1.00 0.00 C ATOM 47 CD GLN A 4 -19.833 -14.356 25.967 1.00 0.00 C ATOM 48 OE1 GLN A 4 -20.883 -14.988 25.888 1.00 0.00 O ATOM 49 NE2 GLN A 4 -19.458 -13.487 25.054 1.00 0.00 N ATOM 0 H GLN A 4 -19.034 -15.206 30.366 1.00 0.00 H new ATOM 0 HA GLN A 4 -17.225 -13.307 29.006 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.207 -13.774 28.658 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.266 -12.542 27.840 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.878 -14.384 26.820 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.988 -15.541 27.526 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.577 -12.984 25.160 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.048 -13.316 24.240 1.00 0.00 H new ATOM 58 N GLU A 5 -18.966 -11.355 30.011 1.00 0.00 N ATOM 59 CA GLU A 5 -19.419 -10.328 30.916 1.00 0.00 C ATOM 60 C GLU A 5 -20.911 -10.497 31.170 1.00 0.00 C ATOM 61 O GLU A 5 -21.569 -11.315 30.527 1.00 0.00 O ATOM 62 CB GLU A 5 -19.119 -8.923 30.364 1.00 0.00 C ATOM 63 CG GLU A 5 -19.824 -8.577 29.052 1.00 0.00 C ATOM 64 CD GLU A 5 -19.238 -9.286 27.853 1.00 0.00 C ATOM 65 OE1 GLU A 5 -18.282 -8.760 27.261 1.00 0.00 O ATOM 66 OE2 GLU A 5 -19.732 -10.375 27.502 1.00 0.00 O ATOM 0 H GLU A 5 -18.941 -11.076 29.030 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.879 -10.431 31.857 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.402 -8.186 31.116 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.043 -8.830 30.216 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.880 -8.833 29.137 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.769 -7.500 28.891 1.00 0.00 H new ATOM 73 N ALA A 6 -21.453 -9.732 32.090 1.00 0.00 N ATOM 74 CA ALA A 6 -22.860 -9.822 32.420 1.00 0.00 C ATOM 75 C ALA A 6 -23.326 -8.542 33.088 1.00 0.00 C ATOM 76 O ALA A 6 -23.243 -8.394 34.302 1.00 0.00 O ATOM 77 CB ALA A 6 -23.126 -11.027 33.321 1.00 0.00 C ATOM 0 H ALA A 6 -20.938 -9.035 32.628 1.00 0.00 H new ATOM 0 HA ALA A 6 -23.424 -9.957 31.497 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -24.189 -11.077 33.558 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -22.826 -11.940 32.806 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -22.554 -10.925 34.243 1.00 0.00 H new ATOM 83 N LYS A 7 -23.775 -7.593 32.294 1.00 0.00 N ATOM 84 CA LYS A 7 -24.265 -6.330 32.816 1.00 0.00 C ATOM 85 C LYS A 7 -25.293 -5.740 31.871 1.00 0.00 C ATOM 86 O LYS A 7 -25.237 -5.978 30.660 1.00 0.00 O ATOM 87 CB LYS A 7 -23.110 -5.318 33.048 1.00 0.00 C ATOM 88 CG LYS A 7 -22.370 -4.872 31.779 1.00 0.00 C ATOM 89 CD LYS A 7 -21.259 -5.839 31.387 1.00 0.00 C ATOM 90 CE LYS A 7 -20.090 -5.787 32.371 1.00 0.00 C ATOM 91 NZ LYS A 7 -19.406 -4.465 32.372 1.00 0.00 N ATOM 0 H LYS A 7 -23.812 -7.671 31.278 1.00 0.00 H new ATOM 0 HA LYS A 7 -24.732 -6.528 33.781 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.515 -4.435 33.543 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -22.389 -5.764 33.733 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -23.081 -4.787 30.957 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.946 -3.880 31.938 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.657 -6.853 31.348 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.903 -5.597 30.386 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.454 -6.005 33.375 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.370 -6.565 32.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -18.486 -4.551 32.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.260 -4.149 31.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.994 -3.770 32.876 1.00 0.00 H new ATOM 105 N PRO A 8 -26.261 -4.985 32.401 1.00 0.00 N ATOM 106 CA PRO A 8 -27.271 -4.336 31.583 1.00 0.00 C ATOM 107 C PRO A 8 -26.669 -3.176 30.803 1.00 0.00 C ATOM 108 O PRO A 8 -25.777 -2.481 31.307 1.00 0.00 O ATOM 109 CB PRO A 8 -28.283 -3.827 32.606 1.00 0.00 C ATOM 110 CG PRO A 8 -27.477 -3.606 33.829 1.00 0.00 C ATOM 111 CD PRO A 8 -26.452 -4.703 33.838 1.00 0.00 C ATOM 0 HA PRO A 8 -27.711 -5.003 30.842 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -28.760 -2.906 32.271 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -29.077 -4.554 32.777 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -27.002 -2.625 33.814 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -28.101 -3.644 34.722 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.524 -4.386 34.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -26.804 -5.581 34.379 1.00 0.00 H new ATOM 119 N SER A 9 -27.134 -3.008 29.564 1.00 0.00 N ATOM 120 CA SER A 9 -26.678 -1.952 28.650 1.00 0.00 C ATOM 121 C SER A 9 -25.446 -2.422 27.873 1.00 0.00 C ATOM 122 O SER A 9 -24.639 -3.215 28.369 1.00 0.00 O ATOM 123 CB SER A 9 -26.406 -0.621 29.397 1.00 0.00 C ATOM 124 OG SER A 9 -26.005 0.410 28.509 1.00 0.00 O ATOM 0 H SER A 9 -27.850 -3.610 29.158 1.00 0.00 H new ATOM 0 HA SER A 9 -27.478 -1.752 27.938 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.306 -0.313 29.929 1.00 0.00 H new ATOM 0 HB3 SER A 9 -25.630 -0.777 30.147 1.00 0.00 H new ATOM 0 HG SER A 9 -25.844 1.234 29.015 1.00 0.00 H new ATOM 130 N THR A 10 -25.304 -1.952 26.650 1.00 0.00 N ATOM 131 CA THR A 10 -24.202 -2.361 25.807 1.00 0.00 C ATOM 132 C THR A 10 -23.455 -1.144 25.268 1.00 0.00 C ATOM 133 O THR A 10 -23.993 -0.034 25.232 1.00 0.00 O ATOM 134 CB THR A 10 -24.679 -3.266 24.642 1.00 0.00 C ATOM 135 OG1 THR A 10 -23.553 -3.794 23.932 1.00 0.00 O ATOM 136 CG2 THR A 10 -25.568 -2.492 23.688 1.00 0.00 C ATOM 0 H THR A 10 -25.942 -1.284 26.218 1.00 0.00 H new ATOM 0 HA THR A 10 -23.518 -2.946 26.422 1.00 0.00 H new ATOM 0 HB THR A 10 -25.255 -4.089 25.066 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.866 -4.365 23.200 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.891 -3.147 22.879 1.00 0.00 H new ATOM 0 HG22 THR A 10 -26.441 -2.121 24.224 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.012 -1.651 23.274 1.00 0.00 H new ATOM 144 N GLU A 11 -22.221 -1.340 24.853 1.00 0.00 N ATOM 145 CA GLU A 11 -21.398 -0.247 24.369 1.00 0.00 C ATOM 146 C GLU A 11 -21.211 -0.300 22.861 1.00 0.00 C ATOM 147 O GLU A 11 -21.857 -1.082 22.168 1.00 0.00 O ATOM 148 CB GLU A 11 -20.048 -0.255 25.064 1.00 0.00 C ATOM 149 CG GLU A 11 -20.112 0.141 26.522 1.00 0.00 C ATOM 150 CD GLU A 11 -18.746 0.272 27.129 1.00 0.00 C ATOM 151 OE1 GLU A 11 -18.055 1.275 26.836 1.00 0.00 O ATOM 152 OE2 GLU A 11 -18.348 -0.626 27.902 1.00 0.00 O ATOM 0 H GLU A 11 -21.762 -2.251 24.841 1.00 0.00 H new ATOM 0 HA GLU A 11 -21.919 0.681 24.604 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.615 -1.252 24.986 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.376 0.426 24.541 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.644 1.088 26.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.685 -0.603 27.075 1.00 0.00 H new ATOM 159 N ASP A 12 -20.322 0.552 22.360 1.00 0.00 N ATOM 160 CA ASP A 12 -20.029 0.648 20.929 1.00 0.00 C ATOM 161 C ASP A 12 -19.346 -0.628 20.411 1.00 0.00 C ATOM 162 O ASP A 12 -18.953 -1.495 21.192 1.00 0.00 O ATOM 163 CB ASP A 12 -19.145 1.883 20.668 1.00 0.00 C ATOM 164 CG ASP A 12 -18.850 2.102 19.202 1.00 0.00 C ATOM 165 OD1 ASP A 12 -19.763 2.538 18.470 1.00 0.00 O ATOM 166 OD2 ASP A 12 -17.712 1.811 18.773 1.00 0.00 O ATOM 0 H ASP A 12 -19.781 1.198 22.935 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.969 0.756 20.387 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.640 2.768 21.069 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.205 1.771 21.209 1.00 0.00 H new ATOM 171 N LEU A 13 -19.203 -0.735 19.092 1.00 0.00 N ATOM 172 CA LEU A 13 -18.587 -1.901 18.476 1.00 0.00 C ATOM 173 C LEU A 13 -17.117 -2.017 18.876 1.00 0.00 C ATOM 174 O LEU A 13 -16.641 -3.099 19.221 1.00 0.00 O ATOM 175 CB LEU A 13 -18.733 -1.882 16.941 1.00 0.00 C ATOM 176 CG LEU A 13 -18.248 -0.619 16.214 1.00 0.00 C ATOM 177 CD1 LEU A 13 -17.624 -0.987 14.882 1.00 0.00 C ATOM 178 CD2 LEU A 13 -19.404 0.345 15.988 1.00 0.00 C ATOM 0 H LEU A 13 -19.508 -0.023 18.429 1.00 0.00 H new ATOM 0 HA LEU A 13 -19.116 -2.779 18.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -18.189 -2.736 16.538 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.785 -2.031 16.698 1.00 0.00 H new ATOM 0 HG LEU A 13 -17.499 -0.132 16.839 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -17.284 -0.083 14.377 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.775 -1.650 15.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.363 -1.493 14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -19.041 1.234 15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -20.169 -0.140 15.381 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.831 0.633 16.949 1.00 0.00 H new ATOM 190 N GLY A 14 -16.392 -0.909 18.825 1.00 0.00 N ATOM 191 CA GLY A 14 -15.004 -0.925 19.239 1.00 0.00 C ATOM 192 C GLY A 14 -14.064 -0.353 18.199 1.00 0.00 C ATOM 193 O GLY A 14 -13.374 0.635 18.449 1.00 0.00 O ATOM 0 H GLY A 14 -16.738 -0.004 18.506 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.901 -0.357 20.164 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.710 -1.951 19.460 1.00 0.00 H new ATOM 197 N ASP A 15 -14.013 -0.972 17.025 1.00 0.00 N ATOM 198 CA ASP A 15 -13.120 -0.514 15.946 1.00 0.00 C ATOM 199 C ASP A 15 -13.734 0.630 15.151 1.00 0.00 C ATOM 200 O ASP A 15 -13.365 0.883 14.000 1.00 0.00 O ATOM 201 CB ASP A 15 -12.761 -1.669 15.010 1.00 0.00 C ATOM 202 CG ASP A 15 -13.945 -2.201 14.229 1.00 0.00 C ATOM 203 OD1 ASP A 15 -14.852 -2.790 14.848 1.00 0.00 O ATOM 204 OD2 ASP A 15 -13.961 -2.055 12.983 1.00 0.00 O ATOM 0 H ASP A 15 -14.574 -1.790 16.788 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.210 -0.144 16.418 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.994 -1.335 14.311 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.327 -2.480 15.595 1.00 0.00 H new ATOM 209 N LYS A 16 -14.652 1.330 15.768 1.00 0.00 N ATOM 210 CA LYS A 16 -15.300 2.462 15.150 1.00 0.00 C ATOM 211 C LYS A 16 -14.367 3.656 15.143 1.00 0.00 C ATOM 212 O LYS A 16 -13.881 4.082 16.191 1.00 0.00 O ATOM 213 CB LYS A 16 -16.558 2.827 15.921 1.00 0.00 C ATOM 214 CG LYS A 16 -17.291 4.043 15.364 1.00 0.00 C ATOM 215 CD LYS A 16 -18.030 4.800 16.458 1.00 0.00 C ATOM 216 CE LYS A 16 -18.766 6.009 15.895 1.00 0.00 C ATOM 217 NZ LYS A 16 -19.344 6.864 16.966 1.00 0.00 N ATOM 0 H LYS A 16 -14.973 1.131 16.716 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.561 2.194 14.126 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.235 1.973 15.918 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.293 3.019 16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.577 4.708 14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.999 3.723 14.600 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.741 4.134 16.947 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.322 5.125 17.220 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.079 6.601 15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.563 5.671 15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.356 7.015 16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.226 6.394 17.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.854 7.781 16.980 1.00 0.00 H new ATOM 231 N LYS A 17 -14.096 4.195 13.979 1.00 0.00 N ATOM 232 CA LYS A 17 -13.278 5.377 13.889 1.00 0.00 C ATOM 233 C LYS A 17 -14.153 6.603 14.019 1.00 0.00 C ATOM 234 O LYS A 17 -15.370 6.530 13.838 1.00 0.00 O ATOM 235 CB LYS A 17 -12.484 5.411 12.585 1.00 0.00 C ATOM 236 CG LYS A 17 -11.495 4.261 12.429 1.00 0.00 C ATOM 237 CD LYS A 17 -10.597 4.101 13.658 1.00 0.00 C ATOM 238 CE LYS A 17 -9.790 5.361 13.944 1.00 0.00 C ATOM 239 NZ LYS A 17 -9.007 5.249 15.200 1.00 0.00 N ATOM 0 H LYS A 17 -14.429 3.835 13.085 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.554 5.363 14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.181 5.393 11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.940 6.354 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.042 3.334 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.876 4.433 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.210 3.859 14.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.918 3.263 13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.113 5.555 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.464 6.215 14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.473 6.128 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.653 5.090 15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.345 4.450 15.126 1.00 0.00 H new ATOM 253 N GLU A 18 -13.555 7.726 14.321 1.00 0.00 N ATOM 254 CA GLU A 18 -14.312 8.937 14.549 1.00 0.00 C ATOM 255 C GLU A 18 -13.393 10.145 14.414 1.00 0.00 C ATOM 256 O GLU A 18 -12.174 9.994 14.330 1.00 0.00 O ATOM 257 CB GLU A 18 -14.931 8.880 15.950 1.00 0.00 C ATOM 258 CG GLU A 18 -16.134 9.779 16.154 1.00 0.00 C ATOM 259 CD GLU A 18 -16.703 9.641 17.542 1.00 0.00 C ATOM 260 OE1 GLU A 18 -16.220 10.340 18.453 1.00 0.00 O ATOM 261 OE2 GLU A 18 -17.625 8.817 17.738 1.00 0.00 O ATOM 0 H GLU A 18 -12.545 7.831 14.416 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.110 9.027 13.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.225 7.852 16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.167 9.149 16.680 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.847 10.816 15.980 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.901 9.533 15.420 1.00 0.00 H new ATOM 268 N GLY A 19 -13.963 11.342 14.400 1.00 0.00 N ATOM 269 CA GLY A 19 -13.166 12.542 14.255 1.00 0.00 C ATOM 270 C GLY A 19 -12.690 12.757 12.833 1.00 0.00 C ATOM 271 O GLY A 19 -13.150 13.664 12.143 1.00 0.00 O ATOM 0 H GLY A 19 -14.966 11.503 14.487 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.753 13.404 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.303 12.483 14.918 1.00 0.00 H new ATOM 275 N GLU A 20 -11.775 11.919 12.385 1.00 0.00 N ATOM 276 CA GLU A 20 -11.225 12.018 11.047 1.00 0.00 C ATOM 277 C GLU A 20 -10.692 10.670 10.598 1.00 0.00 C ATOM 278 O GLU A 20 -9.671 10.188 11.102 1.00 0.00 O ATOM 279 CB GLU A 20 -10.107 13.051 11.011 1.00 0.00 C ATOM 280 CG GLU A 20 -9.496 13.259 9.635 1.00 0.00 C ATOM 281 CD GLU A 20 -8.327 14.211 9.662 1.00 0.00 C ATOM 282 OE1 GLU A 20 -7.194 13.764 9.949 1.00 0.00 O ATOM 283 OE2 GLU A 20 -8.525 15.414 9.400 1.00 0.00 O ATOM 0 H GLU A 20 -11.393 11.152 12.937 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.019 12.331 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.496 14.003 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.322 12.745 11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.169 12.298 9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.258 13.643 8.957 1.00 0.00 H new ATOM 290 N TYR A 21 -11.374 10.051 9.665 1.00 0.00 N ATOM 291 CA TYR A 21 -10.961 8.761 9.164 1.00 0.00 C ATOM 292 C TYR A 21 -11.127 8.692 7.659 1.00 0.00 C ATOM 293 O TYR A 21 -11.747 9.567 7.039 1.00 0.00 O ATOM 294 CB TYR A 21 -11.748 7.633 9.841 1.00 0.00 C ATOM 295 CG TYR A 21 -13.233 7.668 9.574 1.00 0.00 C ATOM 296 CD1 TYR A 21 -14.070 8.504 10.302 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.799 6.864 8.594 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.429 8.536 10.058 1.00 0.00 C ATOM 299 CE2 TYR A 21 -15.152 6.891 8.345 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.965 7.727 9.078 1.00 0.00 C ATOM 301 OH TYR A 21 -17.319 7.757 8.827 1.00 0.00 O ATOM 0 H TYR A 21 -12.222 10.421 9.235 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.905 8.631 9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.352 6.675 9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.582 7.685 10.917 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.652 9.138 11.070 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.166 6.206 8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.068 9.191 10.631 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.575 6.259 7.578 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.532 7.128 8.106 1.00 0.00 H new ATOM 311 N ILE A 22 -10.580 7.653 7.071 1.00 0.00 N ATOM 312 CA ILE A 22 -10.615 7.457 5.641 1.00 0.00 C ATOM 313 C ILE A 22 -10.540 5.969 5.317 1.00 0.00 C ATOM 314 O ILE A 22 -9.914 5.200 6.028 1.00 0.00 O ATOM 315 CB ILE A 22 -9.440 8.232 4.948 1.00 0.00 C ATOM 316 CG1 ILE A 22 -9.052 7.606 3.602 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.232 8.320 5.864 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.005 8.391 2.839 1.00 0.00 C ATOM 0 H ILE A 22 -10.094 6.913 7.577 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.555 7.853 5.257 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.798 9.242 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.680 6.596 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.945 7.514 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.432 8.862 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.506 8.846 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.890 7.315 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.784 7.885 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.381 9.393 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.096 8.461 3.436 1.00 0.00 H new ATOM 330 N LYS A 23 -11.220 5.551 4.281 1.00 0.00 N ATOM 331 CA LYS A 23 -11.161 4.171 3.865 1.00 0.00 C ATOM 332 C LYS A 23 -10.488 4.078 2.512 1.00 0.00 C ATOM 333 O LYS A 23 -10.605 4.980 1.697 1.00 0.00 O ATOM 334 CB LYS A 23 -12.558 3.544 3.832 1.00 0.00 C ATOM 335 CG LYS A 23 -13.553 4.256 2.935 1.00 0.00 C ATOM 336 CD LYS A 23 -14.909 3.584 3.007 1.00 0.00 C ATOM 337 CE LYS A 23 -15.867 4.145 1.979 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.291 5.533 2.286 1.00 0.00 N ATOM 0 H LYS A 23 -11.821 6.145 3.709 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.573 3.609 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.469 2.509 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.955 3.522 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.641 5.300 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.192 4.251 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.793 2.512 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.328 3.716 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.393 4.123 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.748 3.505 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.143 5.765 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.500 5.615 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.527 6.193 2.035 1.00 0.00 H new ATOM 352 N LEU A 24 -9.762 3.010 2.278 1.00 0.00 N ATOM 353 CA LEU A 24 -9.056 2.830 1.012 1.00 0.00 C ATOM 354 C LEU A 24 -9.203 1.414 0.504 1.00 0.00 C ATOM 355 O LEU A 24 -9.506 0.493 1.270 1.00 0.00 O ATOM 356 CB LEU A 24 -7.566 3.164 1.165 1.00 0.00 C ATOM 357 CG LEU A 24 -7.221 4.639 1.360 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.732 4.802 1.605 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.650 5.454 0.147 1.00 0.00 C ATOM 0 H LEU A 24 -9.639 2.246 2.943 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.503 3.513 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.176 2.606 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.042 2.804 0.280 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.762 5.008 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.499 5.858 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.448 4.248 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.178 4.417 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.396 6.502 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.135 5.085 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.727 5.359 0.007 1.00 0.00 H new ATOM 371 N LYS A 25 -9.001 1.231 -0.788 1.00 0.00 N ATOM 372 CA LYS A 25 -9.071 -0.080 -1.382 1.00 0.00 C ATOM 373 C LYS A 25 -7.840 -0.366 -2.218 1.00 0.00 C ATOM 374 O LYS A 25 -7.414 0.447 -3.043 1.00 0.00 O ATOM 375 CB LYS A 25 -10.372 -0.235 -2.198 1.00 0.00 C ATOM 376 CG LYS A 25 -10.399 -1.395 -3.219 1.00 0.00 C ATOM 377 CD LYS A 25 -9.879 -0.953 -4.586 1.00 0.00 C ATOM 378 CE LYS A 25 -10.570 -1.681 -5.734 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.038 -1.426 -5.773 1.00 0.00 N ATOM 0 H LYS A 25 -8.786 1.982 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.093 -0.822 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.200 -0.371 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.555 0.697 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.792 -2.221 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.418 -1.768 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.028 0.121 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.805 -1.133 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.125 -1.367 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.393 -2.752 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.418 -1.723 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.504 -1.966 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.218 -0.411 -5.636 1.00 0.00 H new ATOM 393 N VAL A 26 -7.253 -1.509 -1.983 1.00 0.00 N ATOM 394 CA VAL A 26 -6.115 -1.950 -2.745 1.00 0.00 C ATOM 395 C VAL A 26 -6.587 -2.916 -3.812 1.00 0.00 C ATOM 396 O VAL A 26 -7.364 -3.828 -3.530 1.00 0.00 O ATOM 397 CB VAL A 26 -5.046 -2.634 -1.846 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.926 -3.220 -2.688 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.490 -1.647 -0.833 1.00 0.00 C ATOM 0 H VAL A 26 -7.550 -2.161 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.646 -1.078 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.528 -3.449 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.191 -3.693 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.336 -3.963 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.447 -2.425 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.744 -2.144 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.028 -0.810 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.299 -1.279 -0.202 1.00 0.00 H new ATOM 409 N ILE A 27 -6.147 -2.712 -5.032 1.00 0.00 N ATOM 410 CA ILE A 27 -6.547 -3.558 -6.128 1.00 0.00 C ATOM 411 C ILE A 27 -5.318 -4.037 -6.894 1.00 0.00 C ATOM 412 O ILE A 27 -4.299 -3.357 -6.933 1.00 0.00 O ATOM 413 CB ILE A 27 -7.531 -2.823 -7.086 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.118 -3.798 -8.112 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.848 -1.648 -7.783 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.143 -3.179 -9.032 1.00 0.00 C ATOM 0 H ILE A 27 -5.507 -1.961 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.070 -4.421 -5.715 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.349 -2.425 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.307 -4.209 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.577 -4.633 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.559 -1.154 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.494 -0.937 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.002 -2.013 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.510 -3.933 -9.728 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.975 -2.793 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.685 -2.363 -9.590 1.00 0.00 H new ATOM 428 N GLY A 28 -5.404 -5.217 -7.472 1.00 0.00 N ATOM 429 CA GLY A 28 -4.296 -5.752 -8.232 1.00 0.00 C ATOM 430 C GLY A 28 -4.693 -6.048 -9.657 1.00 0.00 C ATOM 431 O GLY A 28 -5.865 -5.900 -10.022 1.00 0.00 O ATOM 0 H GLY A 28 -6.225 -5.820 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.471 -5.040 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.935 -6.664 -7.757 1.00 0.00 H new ATOM 435 N GLN A 29 -3.737 -6.492 -10.482 1.00 0.00 N ATOM 436 CA GLN A 29 -4.030 -6.813 -11.886 1.00 0.00 C ATOM 437 C GLN A 29 -4.968 -8.011 -12.000 1.00 0.00 C ATOM 438 O GLN A 29 -5.536 -8.276 -13.060 1.00 0.00 O ATOM 439 CB GLN A 29 -2.750 -7.062 -12.707 1.00 0.00 C ATOM 440 CG GLN A 29 -2.028 -8.370 -12.406 1.00 0.00 C ATOM 441 CD GLN A 29 -1.047 -8.255 -11.265 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.116 -7.929 -11.472 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.488 -8.556 -10.059 1.00 0.00 N ATOM 0 H GLN A 29 -2.765 -6.636 -10.207 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.529 -5.938 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.008 -7.044 -13.766 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.060 -6.237 -12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.764 -9.138 -12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.499 -8.700 -13.300 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.463 -8.823 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.854 -8.522 -9.261 1.00 0.00 H new ATOM 452 N ASP A 30 -5.159 -8.712 -10.890 1.00 0.00 N ATOM 453 CA ASP A 30 -6.036 -9.880 -10.851 1.00 0.00 C ATOM 454 C ASP A 30 -7.464 -9.433 -10.610 1.00 0.00 C ATOM 455 O ASP A 30 -8.362 -10.252 -10.452 1.00 0.00 O ATOM 456 CB ASP A 30 -5.622 -10.827 -9.722 1.00 0.00 C ATOM 457 CG ASP A 30 -4.161 -11.174 -9.750 1.00 0.00 C ATOM 458 OD1 ASP A 30 -3.353 -10.369 -9.241 1.00 0.00 O ATOM 459 OD2 ASP A 30 -3.804 -12.246 -10.279 1.00 0.00 O ATOM 0 H ASP A 30 -4.716 -8.492 -9.998 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.958 -10.402 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.862 -10.367 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.208 -11.743 -9.791 1.00 0.00 H new ATOM 464 N SER A 31 -7.661 -8.111 -10.556 1.00 0.00 N ATOM 465 CA SER A 31 -8.961 -7.503 -10.284 1.00 0.00 C ATOM 466 C SER A 31 -9.380 -7.776 -8.837 1.00 0.00 C ATOM 467 O SER A 31 -10.535 -7.596 -8.459 1.00 0.00 O ATOM 468 CB SER A 31 -10.030 -8.000 -11.273 1.00 0.00 C ATOM 469 OG SER A 31 -11.235 -7.255 -11.147 1.00 0.00 O ATOM 0 H SER A 31 -6.915 -7.431 -10.701 1.00 0.00 H new ATOM 0 HA SER A 31 -8.869 -6.426 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.653 -7.916 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.232 -9.056 -11.094 1.00 0.00 H new ATOM 0 HG SER A 31 -11.472 -7.174 -10.200 1.00 0.00 H new ATOM 475 N SER A 32 -8.419 -8.192 -8.025 1.00 0.00 N ATOM 476 CA SER A 32 -8.662 -8.466 -6.633 1.00 0.00 C ATOM 477 C SER A 32 -8.671 -7.153 -5.867 1.00 0.00 C ATOM 478 O SER A 32 -7.904 -6.243 -6.178 1.00 0.00 O ATOM 479 CB SER A 32 -7.575 -9.401 -6.084 1.00 0.00 C ATOM 480 OG SER A 32 -7.881 -9.840 -4.770 1.00 0.00 O ATOM 0 H SER A 32 -7.455 -8.346 -8.320 1.00 0.00 H new ATOM 0 HA SER A 32 -9.627 -8.959 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.470 -10.264 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.616 -8.883 -6.082 1.00 0.00 H new ATOM 0 HG SER A 32 -7.171 -10.435 -4.450 1.00 0.00 H new ATOM 486 N GLU A 33 -9.520 -7.051 -4.872 1.00 0.00 N ATOM 487 CA GLU A 33 -9.629 -5.826 -4.120 1.00 0.00 C ATOM 488 C GLU A 33 -9.843 -6.073 -2.650 1.00 0.00 C ATOM 489 O GLU A 33 -10.465 -7.054 -2.248 1.00 0.00 O ATOM 490 CB GLU A 33 -10.732 -4.936 -4.672 1.00 0.00 C ATOM 491 CG GLU A 33 -12.138 -5.460 -4.479 1.00 0.00 C ATOM 492 CD GLU A 33 -13.169 -4.474 -4.961 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.244 -3.360 -4.392 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.901 -4.791 -5.916 1.00 0.00 O ATOM 0 H GLU A 33 -10.143 -7.799 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.675 -5.310 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.658 -3.957 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.559 -4.789 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.253 -6.400 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.305 -5.675 -3.424 1.00 0.00 H new ATOM 501 N ILE A 34 -9.303 -5.187 -1.847 1.00 0.00 N ATOM 502 CA ILE A 34 -9.448 -5.241 -0.409 1.00 0.00 C ATOM 503 C ILE A 34 -9.700 -3.847 0.138 1.00 0.00 C ATOM 504 O ILE A 34 -8.953 -2.909 -0.149 1.00 0.00 O ATOM 505 CB ILE A 34 -8.194 -5.841 0.277 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.914 -5.246 -0.326 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.198 -7.361 0.174 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.635 -5.745 0.312 1.00 0.00 C ATOM 0 H ILE A 34 -8.744 -4.399 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.296 -5.890 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.220 -5.580 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.888 -5.474 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.953 -4.161 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.309 -7.761 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.089 -7.756 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.199 -7.655 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.779 -5.275 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.635 -5.493 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.569 -6.827 0.196 1.00 0.00 H new ATOM 520 N HIS A 35 -10.767 -3.693 0.897 1.00 0.00 N ATOM 521 CA HIS A 35 -11.099 -2.402 1.487 1.00 0.00 C ATOM 522 C HIS A 35 -10.664 -2.384 2.938 1.00 0.00 C ATOM 523 O HIS A 35 -10.925 -3.328 3.688 1.00 0.00 O ATOM 524 CB HIS A 35 -12.610 -2.110 1.392 1.00 0.00 C ATOM 525 CG HIS A 35 -13.139 -1.945 -0.006 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.085 -0.999 -0.348 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.875 -2.627 -1.146 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.374 -1.113 -1.628 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.653 -2.091 -2.131 1.00 0.00 N ATOM 0 H HIS A 35 -11.421 -4.442 1.122 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.572 -1.627 0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.153 -2.922 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.825 -1.202 1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.177 -3.444 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.083 -0.506 -2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.672 -2.400 -3.103 1.00 0.00 H new ATOM 538 N PHE A 36 -9.986 -1.332 3.340 1.00 0.00 N ATOM 539 CA PHE A 36 -9.510 -1.220 4.707 1.00 0.00 C ATOM 540 C PHE A 36 -9.803 0.145 5.298 1.00 0.00 C ATOM 541 O PHE A 36 -9.964 1.139 4.580 1.00 0.00 O ATOM 542 CB PHE A 36 -8.012 -1.517 4.796 1.00 0.00 C ATOM 543 CG PHE A 36 -7.679 -2.983 4.818 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.656 -3.677 6.017 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.388 -3.666 3.649 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.350 -5.023 6.051 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.081 -5.013 3.679 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.062 -5.691 4.879 1.00 0.00 C ATOM 0 H PHE A 36 -9.750 -0.540 2.742 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.052 -1.964 5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.509 -1.053 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.613 -1.051 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.880 -3.158 6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.401 -3.141 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.336 -5.551 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.856 -5.535 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.822 -6.744 4.902 1.00 0.00 H new ATOM 558 N LYS A 37 -9.871 0.185 6.614 1.00 0.00 N ATOM 559 CA LYS A 37 -10.116 1.407 7.345 1.00 0.00 C ATOM 560 C LYS A 37 -8.790 1.984 7.806 1.00 0.00 C ATOM 561 O LYS A 37 -8.021 1.320 8.503 1.00 0.00 O ATOM 562 CB LYS A 37 -11.028 1.127 8.546 1.00 0.00 C ATOM 563 CG LYS A 37 -11.439 2.366 9.337 1.00 0.00 C ATOM 564 CD LYS A 37 -12.180 3.382 8.469 1.00 0.00 C ATOM 565 CE LYS A 37 -13.399 2.772 7.785 1.00 0.00 C ATOM 566 NZ LYS A 37 -14.380 2.216 8.757 1.00 0.00 N ATOM 0 H LYS A 37 -9.757 -0.636 7.208 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.615 2.129 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.928 0.624 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.519 0.436 9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.076 2.069 10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.552 2.833 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.494 4.224 9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.501 3.777 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.888 3.532 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.074 1.981 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.233 1.906 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.957 1.405 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.636 2.948 9.450 1.00 0.00 H new ATOM 580 N VAL A 38 -8.508 3.206 7.410 1.00 0.00 N ATOM 581 CA VAL A 38 -7.246 3.833 7.735 1.00 0.00 C ATOM 582 C VAL A 38 -7.451 5.252 8.261 1.00 0.00 C ATOM 583 O VAL A 38 -8.573 5.772 8.292 1.00 0.00 O ATOM 584 CB VAL A 38 -6.301 3.869 6.495 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.952 2.460 6.039 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.926 4.657 5.349 1.00 0.00 C ATOM 0 H VAL A 38 -9.140 3.788 6.859 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.782 3.232 8.517 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.382 4.374 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.292 2.511 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.449 1.930 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.865 1.928 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.244 4.665 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.866 4.190 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.115 5.681 5.672 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.036 10.911 13.298 1.00 0.00 O HETATM 597 CH ALY A 39 -4.092 10.630 12.553 1.00 0.00 C HETATM 598 CH3 ALY A 39 -3.357 11.686 11.788 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.657 9.390 12.400 1.00 0.00 N HETATM 600 CE ALY A 39 -4.322 8.228 12.978 1.00 0.00 C HETATM 601 CD ALY A 39 -3.991 6.941 12.233 1.00 0.00 C HETATM 602 CG ALY A 39 -4.393 7.015 10.759 1.00 0.00 C HETATM 603 CB ALY A 39 -5.864 7.374 10.590 1.00 0.00 C HETATM 604 CA ALY A 39 -6.414 7.237 9.150 1.00 0.00 C HETATM 605 N ALY A 39 -6.380 5.862 8.710 1.00 0.00 N HETATM 606 C ALY A 39 -5.620 8.073 8.149 1.00 0.00 C HETATM 607 O ALY A 39 -5.448 7.664 7.005 1.00 0.00 O HETATM 0 HH33 ALY A 39 -4.050 12.204 11.125 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -2.919 12.401 12.484 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -2.566 11.223 11.197 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.812 9.239 11.849 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.196 6.056 10.280 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.777 7.757 10.251 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.400 8.386 12.965 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -4.028 8.126 14.023 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.504 6.105 12.708 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.922 6.743 12.308 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.442 7.598 9.184 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -6.011 8.402 10.922 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.455 6.738 11.250 1.00 0.00 H new ATOM 622 N MET A 40 -5.091 9.198 8.556 1.00 0.00 N ATOM 623 CA MET A 40 -4.386 10.047 7.606 1.00 0.00 C ATOM 624 C MET A 40 -2.939 9.635 7.484 1.00 0.00 C ATOM 625 O MET A 40 -2.355 9.682 6.408 1.00 0.00 O ATOM 626 CB MET A 40 -4.469 11.523 7.990 1.00 0.00 C ATOM 627 CG MET A 40 -5.725 12.242 7.520 1.00 0.00 C ATOM 628 SD MET A 40 -5.672 12.783 5.783 1.00 0.00 S ATOM 629 CE MET A 40 -5.766 11.234 4.883 1.00 0.00 C ATOM 0 H MET A 40 -5.128 9.549 9.513 1.00 0.00 H new ATOM 0 HA MET A 40 -4.878 9.918 6.642 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.407 11.604 9.075 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.600 12.038 7.582 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.581 11.581 7.657 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.890 13.113 8.155 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.245 11.402 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.761 10.843 4.726 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.350 10.515 5.457 1.00 0.00 H new ATOM 639 N THR A 41 -2.371 9.172 8.567 1.00 0.00 N ATOM 640 CA THR A 41 -0.967 8.869 8.611 1.00 0.00 C ATOM 641 C THR A 41 -0.711 7.362 8.663 1.00 0.00 C ATOM 642 O THR A 41 0.338 6.909 9.129 1.00 0.00 O ATOM 643 CB THR A 41 -0.335 9.552 9.826 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.074 9.194 11.007 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.366 11.066 9.650 1.00 0.00 C ATOM 0 H THR A 41 -2.868 8.995 9.440 1.00 0.00 H new ATOM 0 HA THR A 41 -0.511 9.246 7.695 1.00 0.00 H new ATOM 0 HB THR A 41 0.701 9.226 9.923 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.672 9.628 11.788 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.086 11.543 10.520 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.193 11.340 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.399 11.400 9.549 1.00 0.00 H new ATOM 653 N THR A 42 -1.660 6.582 8.167 1.00 0.00 N ATOM 654 CA THR A 42 -1.518 5.139 8.147 1.00 0.00 C ATOM 655 C THR A 42 -0.486 4.707 7.116 1.00 0.00 C ATOM 656 O THR A 42 -0.567 5.071 5.941 1.00 0.00 O ATOM 657 CB THR A 42 -2.860 4.445 7.837 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.824 4.808 8.825 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.700 2.931 7.827 1.00 0.00 C ATOM 0 H THR A 42 -2.536 6.927 7.774 1.00 0.00 H new ATOM 0 HA THR A 42 -1.185 4.839 9.141 1.00 0.00 H new ATOM 0 HB THR A 42 -3.194 4.768 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.685 4.269 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.660 2.465 7.606 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.975 2.647 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.350 2.596 8.803 1.00 0.00 H new ATOM 667 N HIS A 43 0.499 3.947 7.558 1.00 0.00 N ATOM 668 CA HIS A 43 1.501 3.418 6.661 1.00 0.00 C ATOM 669 C HIS A 43 0.907 2.287 5.871 1.00 0.00 C ATOM 670 O HIS A 43 0.683 1.192 6.392 1.00 0.00 O ATOM 671 CB HIS A 43 2.740 2.945 7.420 1.00 0.00 C ATOM 672 CG HIS A 43 3.607 4.061 7.902 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.976 3.976 7.959 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.290 5.293 8.349 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.466 5.107 8.424 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.462 5.925 8.668 1.00 0.00 N ATOM 0 H HIS A 43 0.624 3.684 8.535 1.00 0.00 H new ATOM 0 HA HIS A 43 1.818 4.213 5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.426 2.345 8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.327 2.294 6.772 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.528 3.163 7.684 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.296 5.705 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.512 5.326 8.579 1.00 0.00 H new ATOM 685 N LEU A 44 0.646 2.542 4.610 1.00 0.00 N ATOM 686 CA LEU A 44 -0.001 1.567 3.747 1.00 0.00 C ATOM 687 C LEU A 44 0.869 0.349 3.515 1.00 0.00 C ATOM 688 O LEU A 44 0.389 -0.685 3.061 1.00 0.00 O ATOM 689 CB LEU A 44 -0.387 2.205 2.424 1.00 0.00 C ATOM 690 CG LEU A 44 -1.416 3.325 2.515 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.631 3.955 1.159 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.733 2.803 3.076 1.00 0.00 C ATOM 0 H LEU A 44 0.872 3.424 4.151 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.904 1.229 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.514 2.599 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.777 1.429 1.766 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.034 4.087 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.369 4.753 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.690 4.367 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.990 3.200 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.453 3.619 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.121 2.021 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.568 2.395 4.073 1.00 0.00 H new ATOM 704 N LYS A 45 2.149 0.461 3.825 1.00 0.00 N ATOM 705 CA LYS A 45 3.062 -0.658 3.697 1.00 0.00 C ATOM 706 C LYS A 45 2.577 -1.812 4.560 1.00 0.00 C ATOM 707 O LYS A 45 2.628 -2.973 4.156 1.00 0.00 O ATOM 708 CB LYS A 45 4.480 -0.232 4.107 1.00 0.00 C ATOM 709 CG LYS A 45 5.573 -1.279 3.847 1.00 0.00 C ATOM 710 CD LYS A 45 5.665 -2.345 4.935 1.00 0.00 C ATOM 711 CE LYS A 45 5.815 -1.739 6.319 1.00 0.00 C ATOM 712 NZ LYS A 45 6.109 -2.768 7.339 1.00 0.00 N ATOM 0 H LYS A 45 2.579 1.320 4.168 1.00 0.00 H new ATOM 0 HA LYS A 45 3.091 -0.985 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.738 0.681 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.477 0.012 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.381 -1.764 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.535 -0.775 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.771 -2.968 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.514 -2.997 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.616 -0.999 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.899 -1.213 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.890 -2.393 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.528 -3.612 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.116 -3.025 7.293 1.00 0.00 H new ATOM 726 N LYS A 46 2.057 -1.483 5.741 1.00 0.00 N ATOM 727 CA LYS A 46 1.567 -2.490 6.660 1.00 0.00 C ATOM 728 C LYS A 46 0.327 -3.176 6.074 1.00 0.00 C ATOM 729 O LYS A 46 0.095 -4.373 6.277 1.00 0.00 O ATOM 730 CB LYS A 46 1.266 -1.861 8.042 1.00 0.00 C ATOM 731 CG LYS A 46 0.881 -2.861 9.141 1.00 0.00 C ATOM 732 CD LYS A 46 -0.606 -3.208 9.115 1.00 0.00 C ATOM 733 CE LYS A 46 -0.942 -4.315 10.107 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.605 -3.938 11.505 1.00 0.00 N ATOM 0 H LYS A 46 1.967 -0.524 6.078 1.00 0.00 H new ATOM 0 HA LYS A 46 2.337 -3.248 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.144 -1.304 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.456 -1.140 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.466 -3.773 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.137 -2.444 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.192 -2.319 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.890 -3.521 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.005 -4.549 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.399 -5.221 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.958 -4.668 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.427 -3.856 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.049 -3.026 11.735 1.00 0.00 H new ATOM 748 N LEU A 47 -0.449 -2.427 5.310 1.00 0.00 N ATOM 749 CA LEU A 47 -1.638 -2.962 4.685 1.00 0.00 C ATOM 750 C LEU A 47 -1.206 -3.885 3.559 1.00 0.00 C ATOM 751 O LEU A 47 -1.712 -5.001 3.407 1.00 0.00 O ATOM 752 CB LEU A 47 -2.513 -1.808 4.138 1.00 0.00 C ATOM 753 CG LEU A 47 -3.948 -2.164 3.685 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.738 -0.901 3.392 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.944 -3.062 2.454 1.00 0.00 C ATOM 0 H LEU A 47 -0.273 -1.443 5.109 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.231 -3.518 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.583 -1.042 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.992 -1.361 3.291 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.421 -2.709 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.746 -1.168 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.791 -0.288 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.245 -0.339 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.970 -3.290 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.442 -2.551 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.417 -3.988 2.681 1.00 0.00 H new ATOM 767 N LYS A 48 -0.242 -3.423 2.778 1.00 0.00 N ATOM 768 CA LYS A 48 0.263 -4.181 1.656 1.00 0.00 C ATOM 769 C LYS A 48 0.886 -5.493 2.111 1.00 0.00 C ATOM 770 O LYS A 48 0.567 -6.545 1.571 1.00 0.00 O ATOM 771 CB LYS A 48 1.279 -3.364 0.860 1.00 0.00 C ATOM 772 CG LYS A 48 0.670 -2.503 -0.239 1.00 0.00 C ATOM 773 CD LYS A 48 -0.336 -1.507 0.296 1.00 0.00 C ATOM 774 CE LYS A 48 -0.829 -0.595 -0.803 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.373 -1.367 -1.949 1.00 0.00 N ATOM 0 H LYS A 48 0.207 -2.516 2.907 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.583 -4.411 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.828 -2.720 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.004 -4.044 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.464 -1.968 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.185 -3.146 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.179 -2.038 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.120 -0.914 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.601 0.066 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.011 0.039 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.255 -0.925 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.679 -1.374 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.567 -2.344 -1.649 1.00 0.00 H new ATOM 789 N GLU A 49 1.797 -5.438 3.095 1.00 0.00 N ATOM 790 CA GLU A 49 2.431 -6.656 3.615 1.00 0.00 C ATOM 791 C GLU A 49 1.390 -7.659 4.093 1.00 0.00 C ATOM 792 O GLU A 49 1.525 -8.855 3.862 1.00 0.00 O ATOM 793 CB GLU A 49 3.419 -6.342 4.751 1.00 0.00 C ATOM 794 CG GLU A 49 2.767 -5.794 6.005 1.00 0.00 C ATOM 795 CD GLU A 49 3.748 -5.545 7.123 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.164 -6.521 7.783 1.00 0.00 O ATOM 797 OE2 GLU A 49 4.090 -4.379 7.365 1.00 0.00 O ATOM 0 H GLU A 49 2.107 -4.575 3.541 1.00 0.00 H new ATOM 0 HA GLU A 49 2.990 -7.099 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.964 -7.251 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.153 -5.621 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.256 -4.862 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.006 -6.495 6.347 1.00 0.00 H new ATOM 804 N SER A 50 0.337 -7.170 4.750 1.00 0.00 N ATOM 805 CA SER A 50 -0.726 -8.041 5.222 1.00 0.00 C ATOM 806 C SER A 50 -1.359 -8.775 4.037 1.00 0.00 C ATOM 807 O SER A 50 -1.612 -9.980 4.088 1.00 0.00 O ATOM 808 CB SER A 50 -1.779 -7.233 5.986 1.00 0.00 C ATOM 809 OG SER A 50 -1.192 -6.546 7.087 1.00 0.00 O ATOM 0 H SER A 50 0.203 -6.182 4.963 1.00 0.00 H new ATOM 0 HA SER A 50 -0.305 -8.779 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.251 -6.516 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.564 -7.898 6.344 1.00 0.00 H new ATOM 0 HG SER A 50 -0.861 -5.673 6.789 1.00 0.00 H new ATOM 815 N TYR A 51 -1.583 -8.042 2.956 1.00 0.00 N ATOM 816 CA TYR A 51 -2.116 -8.612 1.733 1.00 0.00 C ATOM 817 C TYR A 51 -1.120 -9.583 1.109 1.00 0.00 C ATOM 818 O TYR A 51 -1.502 -10.640 0.618 1.00 0.00 O ATOM 819 CB TYR A 51 -2.493 -7.490 0.736 1.00 0.00 C ATOM 820 CG TYR A 51 -2.114 -7.772 -0.712 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.910 -8.568 -1.528 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.945 -7.245 -1.252 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.549 -8.828 -2.839 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.581 -7.504 -2.555 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.380 -8.291 -3.342 1.00 0.00 C ATOM 826 OH TYR A 51 -1.003 -8.550 -4.637 1.00 0.00 O ATOM 0 H TYR A 51 -1.400 -7.040 2.904 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.019 -9.171 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.569 -7.321 0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.009 -6.565 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.823 -8.989 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.312 -6.622 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.177 -9.446 -3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.332 -7.088 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.062 -9.513 -4.809 1.00 0.00 H new ATOM 836 N CYS A 52 0.160 -9.254 1.144 1.00 0.00 N ATOM 837 CA CYS A 52 1.163 -10.097 0.523 1.00 0.00 C ATOM 838 C CYS A 52 1.343 -11.392 1.301 1.00 0.00 C ATOM 839 O CYS A 52 1.408 -12.462 0.726 1.00 0.00 O ATOM 840 CB CYS A 52 2.498 -9.358 0.417 1.00 0.00 C ATOM 841 SG CYS A 52 2.396 -7.760 -0.417 1.00 0.00 S ATOM 0 H CYS A 52 0.526 -8.415 1.593 1.00 0.00 H new ATOM 0 HA CYS A 52 0.818 -10.343 -0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.897 -9.207 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.208 -9.989 -0.117 1.00 0.00 H new ATOM 0 HG CYS A 52 1.535 -7.004 0.198 1.00 0.00 H new ATOM 847 N GLN A 53 1.395 -11.289 2.619 1.00 0.00 N ATOM 848 CA GLN A 53 1.612 -12.451 3.471 1.00 0.00 C ATOM 849 C GLN A 53 0.393 -13.362 3.511 1.00 0.00 C ATOM 850 O GLN A 53 0.522 -14.585 3.585 1.00 0.00 O ATOM 851 CB GLN A 53 2.013 -12.019 4.875 1.00 0.00 C ATOM 852 CG GLN A 53 3.364 -11.322 4.934 1.00 0.00 C ATOM 853 CD GLN A 53 3.704 -10.820 6.319 1.00 0.00 C ATOM 854 OE1 GLN A 53 3.270 -11.385 7.321 1.00 0.00 O ATOM 855 NE2 GLN A 53 4.489 -9.766 6.385 1.00 0.00 N ATOM 0 H GLN A 53 1.290 -10.410 3.125 1.00 0.00 H new ATOM 0 HA GLN A 53 2.430 -13.026 3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.250 -11.349 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.037 -12.895 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.139 -12.013 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.366 -10.483 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.827 -9.327 5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.760 -9.388 7.293 1.00 0.00 H new ATOM 864 N ARG A 54 -0.797 -12.782 3.471 1.00 0.00 N ATOM 865 CA ARG A 54 -2.017 -13.579 3.447 1.00 0.00 C ATOM 866 C ARG A 54 -2.126 -14.338 2.129 1.00 0.00 C ATOM 867 O ARG A 54 -2.488 -15.514 2.095 1.00 0.00 O ATOM 868 CB ARG A 54 -3.250 -12.700 3.657 1.00 0.00 C ATOM 869 CG ARG A 54 -4.556 -13.457 3.528 1.00 0.00 C ATOM 870 CD ARG A 54 -5.741 -12.603 3.915 1.00 0.00 C ATOM 871 NE ARG A 54 -5.839 -12.404 5.363 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.972 -12.541 6.062 1.00 0.00 C ATOM 873 NH1 ARG A 54 -8.100 -12.887 5.445 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.976 -12.338 7.372 1.00 0.00 N ATOM 0 H ARG A 54 -0.945 -11.773 3.455 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.970 -14.298 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.198 -12.245 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.236 -11.887 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.676 -13.801 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.526 -14.344 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.663 -11.634 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.656 -13.071 3.553 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.992 -12.145 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.102 -13.048 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.962 -12.991 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.114 -12.077 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.841 -12.443 7.902 1.00 0.00 H new ATOM 888 N GLN A 55 -1.779 -13.666 1.047 1.00 0.00 N ATOM 889 CA GLN A 55 -1.832 -14.261 -0.283 1.00 0.00 C ATOM 890 C GLN A 55 -0.591 -15.121 -0.528 1.00 0.00 C ATOM 891 O GLN A 55 -0.537 -15.930 -1.449 1.00 0.00 O ATOM 892 CB GLN A 55 -1.960 -13.157 -1.342 1.00 0.00 C ATOM 893 CG GLN A 55 -3.396 -12.649 -1.575 1.00 0.00 C ATOM 894 CD GLN A 55 -4.210 -12.453 -0.300 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.882 -13.364 0.170 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.161 -11.261 0.255 1.00 0.00 N ATOM 0 H GLN A 55 -1.454 -12.699 1.060 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.707 -14.908 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.335 -12.314 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.564 -13.531 -2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.350 -11.701 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.918 -13.356 -2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.591 -10.526 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.693 -11.072 1.104 1.00 0.00 H new ATOM 905 N GLY A 56 0.399 -14.932 0.323 1.00 0.00 N ATOM 906 CA GLY A 56 1.626 -15.699 0.252 1.00 0.00 C ATOM 907 C GLY A 56 2.514 -15.287 -0.902 1.00 0.00 C ATOM 908 O GLY A 56 3.180 -16.119 -1.512 1.00 0.00 O ATOM 0 H GLY A 56 0.376 -14.247 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.176 -15.582 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.382 -16.757 0.156 1.00 0.00 H new ATOM 912 N VAL A 57 2.529 -14.008 -1.215 1.00 0.00 N ATOM 913 CA VAL A 57 3.367 -13.514 -2.289 1.00 0.00 C ATOM 914 C VAL A 57 4.530 -12.688 -1.770 1.00 0.00 C ATOM 915 O VAL A 57 4.366 -11.831 -0.900 1.00 0.00 O ATOM 916 CB VAL A 57 2.589 -12.702 -3.349 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.924 -13.631 -4.345 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.566 -11.791 -2.695 1.00 0.00 C ATOM 0 H VAL A 57 1.973 -13.294 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 57 3.754 -14.409 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 57 3.300 -12.074 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.380 -13.043 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.684 -14.231 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.229 -14.288 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.033 -11.231 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.856 -12.391 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.073 -11.096 -2.026 1.00 0.00 H new ATOM 928 N PRO A 58 5.724 -12.962 -2.296 1.00 0.00 N ATOM 929 CA PRO A 58 6.958 -12.249 -1.933 1.00 0.00 C ATOM 930 C PRO A 58 6.869 -10.747 -2.214 1.00 0.00 C ATOM 931 O PRO A 58 6.518 -10.323 -3.324 1.00 0.00 O ATOM 932 CB PRO A 58 8.018 -12.894 -2.837 1.00 0.00 C ATOM 933 CG PRO A 58 7.240 -13.573 -3.917 1.00 0.00 C ATOM 934 CD PRO A 58 5.973 -14.010 -3.287 1.00 0.00 C ATOM 0 HA PRO A 58 7.174 -12.329 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.695 -12.145 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.629 -13.606 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.050 -12.894 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.790 -14.423 -4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.163 -14.080 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.070 -14.991 -2.822 1.00 0.00 H new ATOM 942 N MET A 59 7.217 -9.940 -1.216 1.00 0.00 N ATOM 943 CA MET A 59 7.156 -8.480 -1.319 1.00 0.00 C ATOM 944 C MET A 59 8.084 -7.948 -2.415 1.00 0.00 C ATOM 945 O MET A 59 7.848 -6.893 -2.985 1.00 0.00 O ATOM 946 CB MET A 59 7.522 -7.833 0.019 1.00 0.00 C ATOM 947 CG MET A 59 8.958 -8.081 0.437 1.00 0.00 C ATOM 948 SD MET A 59 9.402 -7.252 1.964 1.00 0.00 S ATOM 949 CE MET A 59 11.112 -7.753 2.097 1.00 0.00 C ATOM 0 H MET A 59 7.549 -10.277 -0.312 1.00 0.00 H new ATOM 0 HA MET A 59 6.131 -8.218 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.351 -6.758 -0.047 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.856 -8.214 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.116 -9.153 0.554 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.624 -7.746 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.548 -7.323 2.999 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.170 -8.840 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.663 -7.402 1.225 1.00 0.00 H new ATOM 959 N ASN A 60 9.142 -8.685 -2.706 1.00 0.00 N ATOM 960 CA ASN A 60 10.117 -8.260 -3.708 1.00 0.00 C ATOM 961 C ASN A 60 9.648 -8.578 -5.125 1.00 0.00 C ATOM 962 O ASN A 60 10.196 -8.068 -6.098 1.00 0.00 O ATOM 963 CB ASN A 60 11.481 -8.920 -3.452 1.00 0.00 C ATOM 964 CG ASN A 60 11.447 -10.433 -3.622 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.584 -10.949 -4.728 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.289 -11.146 -2.524 1.00 0.00 N ATOM 0 H ASN A 60 9.352 -9.581 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 60 10.218 -7.178 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.217 -8.499 -4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.811 -8.680 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.277 -12.165 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.178 -10.679 -1.624 1.00 0.00 H new ATOM 973 N SER A 61 8.628 -9.407 -5.248 1.00 0.00 N ATOM 974 CA SER A 61 8.147 -9.809 -6.557 1.00 0.00 C ATOM 975 C SER A 61 6.946 -8.970 -6.974 1.00 0.00 C ATOM 976 O SER A 61 6.612 -8.873 -8.158 1.00 0.00 O ATOM 977 CB SER A 61 7.780 -11.296 -6.548 1.00 0.00 C ATOM 978 OG SER A 61 7.548 -11.785 -7.857 1.00 0.00 O ATOM 0 H SER A 61 8.119 -9.813 -4.463 1.00 0.00 H new ATOM 0 HA SER A 61 8.944 -9.645 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.584 -11.867 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.889 -11.447 -5.939 1.00 0.00 H new ATOM 0 HG SER A 61 6.658 -12.192 -7.901 1.00 0.00 H new ATOM 984 N LEU A 62 6.294 -8.354 -6.012 1.00 0.00 N ATOM 985 CA LEU A 62 5.128 -7.562 -6.300 1.00 0.00 C ATOM 986 C LEU A 62 5.414 -6.061 -6.062 1.00 0.00 C ATOM 987 O LEU A 62 6.393 -5.699 -5.406 1.00 0.00 O ATOM 988 CB LEU A 62 3.896 -8.124 -5.503 1.00 0.00 C ATOM 989 CG LEU A 62 3.499 -7.485 -4.159 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.683 -7.276 -3.255 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.722 -6.214 -4.384 1.00 0.00 C ATOM 0 H LEU A 62 6.554 -8.389 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 62 4.869 -7.639 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.029 -8.064 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.083 -9.182 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 62 2.846 -8.186 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.352 -6.823 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.155 -8.236 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.401 -6.617 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.451 -5.778 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.335 -5.507 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.817 -6.436 -4.950 1.00 0.00 H new ATOM 1003 N ARG A 63 4.575 -5.200 -6.611 1.00 0.00 N ATOM 1004 CA ARG A 63 4.764 -3.763 -6.495 1.00 0.00 C ATOM 1005 C ARG A 63 3.446 -3.034 -6.264 1.00 0.00 C ATOM 1006 O ARG A 63 2.430 -3.335 -6.894 1.00 0.00 O ATOM 1007 CB ARG A 63 5.420 -3.225 -7.752 1.00 0.00 C ATOM 1008 CG ARG A 63 4.717 -3.648 -9.025 1.00 0.00 C ATOM 1009 CD ARG A 63 5.280 -2.937 -10.224 1.00 0.00 C ATOM 1010 NE ARG A 63 6.732 -3.079 -10.309 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.410 -3.299 -11.435 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.767 -3.475 -12.588 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.735 -3.358 -11.405 1.00 0.00 N ATOM 0 H ARG A 63 3.750 -5.473 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 63 5.405 -3.586 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.444 -2.136 -7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.455 -3.565 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.818 -4.725 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.651 -3.436 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.823 -3.335 -11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.021 -1.879 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 63 7.266 -3.004 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.748 -3.442 -12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.294 -3.643 -13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.231 -3.235 -10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.258 -3.526 -12.265 1.00 0.00 H new ATOM 1027 N PHE A 64 3.464 -2.086 -5.348 1.00 0.00 N ATOM 1028 CA PHE A 64 2.293 -1.271 -5.045 1.00 0.00 C ATOM 1029 C PHE A 64 2.524 0.163 -5.465 1.00 0.00 C ATOM 1030 O PHE A 64 3.436 0.816 -4.975 1.00 0.00 O ATOM 1031 CB PHE A 64 1.981 -1.311 -3.542 1.00 0.00 C ATOM 1032 CG PHE A 64 2.969 -2.101 -2.730 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.795 -3.458 -2.556 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.065 -1.488 -2.142 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.686 -4.200 -1.815 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.968 -2.224 -1.396 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.778 -3.585 -1.233 1.00 0.00 C ATOM 0 H PHE A 64 4.287 -1.855 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 64 1.448 -1.679 -5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.948 -0.290 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.988 -1.736 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.945 -3.947 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.215 -0.426 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.532 -5.261 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.819 -1.738 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.481 -4.165 -0.653 1.00 0.00 H new ATOM 1047 N LEU A 65 1.704 0.661 -6.365 1.00 0.00 N ATOM 1048 CA LEU A 65 1.845 2.029 -6.822 1.00 0.00 C ATOM 1049 C LEU A 65 0.513 2.771 -6.910 1.00 0.00 C ATOM 1050 O LEU A 65 -0.558 2.172 -7.025 1.00 0.00 O ATOM 1051 CB LEU A 65 2.617 2.088 -8.159 1.00 0.00 C ATOM 1052 CG LEU A 65 2.260 1.030 -9.215 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.853 1.229 -9.740 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.262 1.066 -10.354 1.00 0.00 C ATOM 0 H LEU A 65 0.936 0.144 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 65 2.430 2.552 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.459 3.073 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.681 2.003 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 65 2.302 0.050 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.631 0.465 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.143 1.150 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.771 2.215 -10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.998 0.312 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.249 2.052 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.260 0.860 -9.967 1.00 0.00 H new ATOM 1066 N PHE A 66 0.597 4.077 -6.816 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.540 4.962 -6.933 1.00 0.00 C ATOM 1068 C PHE A 66 -0.101 6.197 -7.681 1.00 0.00 C ATOM 1069 O PHE A 66 0.884 6.817 -7.319 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.077 5.346 -5.553 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.165 6.376 -5.605 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.455 6.016 -5.930 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.894 7.708 -5.334 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.458 6.958 -5.986 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.892 8.655 -5.388 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.178 8.280 -5.715 1.00 0.00 C ATOM 0 H PHE A 66 1.477 4.566 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.342 4.457 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.456 4.452 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.256 5.725 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.682 4.982 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.888 8.007 -5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.464 6.661 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.668 9.690 -5.175 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.963 9.020 -5.759 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.808 6.546 -8.739 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.435 7.682 -9.593 1.00 0.00 C ATOM 1088 C GLU A 67 0.979 7.502 -10.161 1.00 0.00 C ATOM 1089 O GLU A 67 1.654 8.469 -10.515 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.519 9.016 -8.838 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.931 9.481 -8.542 1.00 0.00 C ATOM 1092 CD GLU A 67 -1.976 10.942 -8.156 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.055 11.791 -9.066 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -1.912 11.252 -6.951 1.00 0.00 O ATOM 0 H GLU A 67 -1.654 6.060 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.151 7.707 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.024 8.922 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.012 9.783 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.558 9.318 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.349 8.880 -7.735 1.00 0.00 H new ATOM 1101 N GLY A 68 1.419 6.258 -10.247 1.00 0.00 N ATOM 1102 CA GLY A 68 2.718 5.957 -10.810 1.00 0.00 C ATOM 1103 C GLY A 68 3.830 5.988 -9.780 1.00 0.00 C ATOM 1104 O GLY A 68 5.002 5.838 -10.118 1.00 0.00 O ATOM 0 H GLY A 68 0.893 5.442 -9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.687 4.971 -11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.941 6.675 -11.600 1.00 0.00 H new ATOM 1108 N GLN A 69 3.479 6.176 -8.520 1.00 0.00 N ATOM 1109 CA GLN A 69 4.470 6.227 -7.465 1.00 0.00 C ATOM 1110 C GLN A 69 4.302 5.028 -6.564 1.00 0.00 C ATOM 1111 O GLN A 69 3.185 4.675 -6.186 1.00 0.00 O ATOM 1112 CB GLN A 69 4.339 7.535 -6.671 1.00 0.00 C ATOM 1113 CG GLN A 69 3.157 7.588 -5.725 1.00 0.00 C ATOM 1114 CD GLN A 69 2.808 9.004 -5.310 1.00 0.00 C ATOM 1115 OE1 GLN A 69 1.527 9.272 -5.157 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 3.683 9.858 -5.163 1.00 0.00 N flip ATOM 0 H GLN A 69 2.516 6.295 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 69 5.468 6.202 -7.902 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.253 7.688 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.261 8.364 -7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.292 7.130 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.380 6.997 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.664 9.610 -5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.427 10.813 -4.914 1.00 0.00 H new ATOM 1125 N ARG A 70 5.388 4.380 -6.233 1.00 0.00 N ATOM 1126 CA ARG A 70 5.315 3.211 -5.391 1.00 0.00 C ATOM 1127 C ARG A 70 5.035 3.605 -3.953 1.00 0.00 C ATOM 1128 O ARG A 70 5.519 4.635 -3.458 1.00 0.00 O ATOM 1129 CB ARG A 70 6.589 2.366 -5.490 1.00 0.00 C ATOM 1130 CG ARG A 70 7.831 3.045 -4.954 1.00 0.00 C ATOM 1131 CD ARG A 70 9.057 2.178 -5.158 1.00 0.00 C ATOM 1132 NE ARG A 70 10.258 2.817 -4.637 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.257 3.274 -5.394 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.204 3.159 -6.721 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.306 3.847 -4.824 1.00 0.00 N ATOM 0 H ARG A 70 6.329 4.638 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 70 4.488 2.596 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.436 1.434 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.756 2.102 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.971 4.002 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.704 3.257 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.911 1.218 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.185 1.972 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 70 10.341 2.922 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.397 2.720 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.971 3.510 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.349 3.938 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.071 4.197 -5.400 1.00 0.00 H new ATOM 1149 N ILE A 71 4.224 2.824 -3.287 1.00 0.00 N ATOM 1150 CA ILE A 71 3.887 3.097 -1.920 1.00 0.00 C ATOM 1151 C ILE A 71 5.030 2.680 -1.008 1.00 0.00 C ATOM 1152 O ILE A 71 5.216 1.502 -0.716 1.00 0.00 O ATOM 1153 CB ILE A 71 2.587 2.383 -1.488 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.528 2.451 -2.603 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.049 3.028 -0.224 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.104 3.859 -2.980 1.00 0.00 C ATOM 0 H ILE A 71 3.784 1.990 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 71 3.719 4.171 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 71 2.813 1.334 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.919 1.953 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.648 1.892 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.132 2.524 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.790 2.944 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.838 4.080 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.356 3.814 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.680 4.357 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.971 4.418 -3.331 1.00 0.00 H new ATOM 1168 N ALA A 72 5.818 3.659 -0.593 1.00 0.00 N ATOM 1169 CA ALA A 72 6.958 3.434 0.272 1.00 0.00 C ATOM 1170 C ALA A 72 6.534 2.978 1.656 1.00 0.00 C ATOM 1171 O ALA A 72 5.369 3.110 2.046 1.00 0.00 O ATOM 1172 CB ALA A 72 7.782 4.704 0.380 1.00 0.00 C ATOM 0 H ALA A 72 5.681 4.637 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 72 7.559 2.640 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.638 4.528 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.134 4.995 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.167 5.502 0.796 1.00 0.00 H new ATOM 1178 N ASP A 73 7.499 2.484 2.412 1.00 0.00 N ATOM 1179 CA ASP A 73 7.275 1.996 3.769 1.00 0.00 C ATOM 1180 C ASP A 73 6.790 3.116 4.689 1.00 0.00 C ATOM 1181 O ASP A 73 6.118 2.871 5.691 1.00 0.00 O ATOM 1182 CB ASP A 73 8.567 1.361 4.303 1.00 0.00 C ATOM 1183 CG ASP A 73 8.537 1.062 5.789 1.00 0.00 C ATOM 1184 OD1 ASP A 73 8.866 1.961 6.593 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.219 -0.075 6.156 1.00 0.00 O ATOM 0 H ASP A 73 8.468 2.408 2.103 1.00 0.00 H new ATOM 0 HA ASP A 73 6.491 1.239 3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.756 0.435 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.402 2.030 4.094 1.00 0.00 H new ATOM 1190 N ASN A 74 7.097 4.350 4.330 1.00 0.00 N ATOM 1191 CA ASN A 74 6.703 5.499 5.129 1.00 0.00 C ATOM 1192 C ASN A 74 5.589 6.292 4.450 1.00 0.00 C ATOM 1193 O ASN A 74 5.219 7.368 4.904 1.00 0.00 O ATOM 1194 CB ASN A 74 7.910 6.419 5.398 1.00 0.00 C ATOM 1195 CG ASN A 74 8.655 6.831 4.128 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.087 6.873 3.036 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.933 7.140 4.270 1.00 0.00 N ATOM 0 H ASN A 74 7.620 4.584 3.486 1.00 0.00 H new ATOM 0 HA ASN A 74 6.327 5.121 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.566 7.315 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.603 5.910 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.482 7.425 3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.370 7.094 5.191 1.00 0.00 H new ATOM 1204 N HIS A 75 5.037 5.758 3.367 1.00 0.00 N ATOM 1205 CA HIS A 75 3.999 6.470 2.642 1.00 0.00 C ATOM 1206 C HIS A 75 2.643 6.314 3.297 1.00 0.00 C ATOM 1207 O HIS A 75 2.274 5.231 3.766 1.00 0.00 O ATOM 1208 CB HIS A 75 3.938 6.039 1.183 1.00 0.00 C ATOM 1209 CG HIS A 75 4.708 6.936 0.266 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.862 6.686 -1.081 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.349 8.110 0.502 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.558 7.661 -1.626 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.865 8.532 -0.691 1.00 0.00 N ATOM 0 H HIS A 75 5.287 4.849 2.978 1.00 0.00 H new ATOM 0 HA HIS A 75 4.266 7.526 2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.325 5.024 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.896 6.012 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.435 8.615 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.831 7.733 -2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.403 9.387 -0.833 1.00 0.00 H new ATOM 1222 N THR A 76 1.895 7.402 3.323 1.00 0.00 N ATOM 1223 CA THR A 76 0.586 7.437 3.934 1.00 0.00 C ATOM 1224 C THR A 76 -0.403 8.087 2.975 1.00 0.00 C ATOM 1225 O THR A 76 0.012 8.739 2.005 1.00 0.00 O ATOM 1226 CB THR A 76 0.635 8.290 5.222 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.862 9.657 4.876 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.756 7.841 6.123 1.00 0.00 C ATOM 0 H THR A 76 2.185 8.292 2.916 1.00 0.00 H new ATOM 0 HA THR A 76 0.278 6.418 4.168 1.00 0.00 H new ATOM 0 HB THR A 76 -0.315 8.173 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.392 10.089 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.769 8.457 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.605 6.798 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.707 7.943 5.600 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.719 7.920 3.206 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.739 8.578 2.396 1.00 0.00 C ATOM 1238 C PRO A 77 -2.586 10.099 2.413 1.00 0.00 C ATOM 1239 O PRO A 77 -2.816 10.766 1.403 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.069 8.162 3.046 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.704 7.583 4.371 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.311 7.051 4.233 1.00 0.00 C ATOM 0 HA PRO A 77 -2.669 8.288 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.733 9.018 3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.595 7.432 2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.754 8.341 5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.396 6.789 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.763 7.109 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.308 6.005 3.926 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.161 10.650 3.556 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.987 12.092 3.685 1.00 0.00 C ATOM 1252 C LYS A 78 -0.725 12.546 2.956 1.00 0.00 C ATOM 1253 O LYS A 78 -0.648 13.668 2.467 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.934 12.514 5.175 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.663 12.094 5.912 1.00 0.00 C ATOM 1256 CD LYS A 78 0.087 13.281 6.506 1.00 0.00 C ATOM 1257 CE LYS A 78 0.767 14.118 5.432 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.666 15.141 6.010 1.00 0.00 N ATOM 0 H LYS A 78 -1.934 10.119 4.397 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.848 12.578 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.031 13.598 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.795 12.087 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.922 11.397 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.007 11.561 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.608 13.906 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.834 12.921 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.338 13.465 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.009 14.606 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.108 15.688 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.118 15.780 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.405 14.675 6.573 1.00 0.00 H new ATOM 1272 N GLU A 79 0.267 11.665 2.873 1.00 0.00 N ATOM 1273 CA GLU A 79 1.526 12.006 2.235 1.00 0.00 C ATOM 1274 C GLU A 79 1.387 11.946 0.729 1.00 0.00 C ATOM 1275 O GLU A 79 1.944 12.757 -0.002 1.00 0.00 O ATOM 1276 CB GLU A 79 2.634 11.064 2.694 1.00 0.00 C ATOM 1277 CG GLU A 79 4.003 11.711 2.693 1.00 0.00 C ATOM 1278 CD GLU A 79 3.974 13.087 3.330 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.924 13.177 4.570 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.981 14.088 2.579 1.00 0.00 O ATOM 0 H GLU A 79 0.220 10.714 3.239 1.00 0.00 H new ATOM 0 HA GLU A 79 1.791 13.023 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.407 10.709 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.652 10.190 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.706 11.076 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.366 11.792 1.669 1.00 0.00 H new ATOM 1287 N LEU A 80 0.640 10.971 0.266 1.00 0.00 N ATOM 1288 CA LEU A 80 0.400 10.789 -1.150 1.00 0.00 C ATOM 1289 C LEU A 80 -0.701 11.722 -1.649 1.00 0.00 C ATOM 1290 O LEU A 80 -0.936 11.841 -2.853 1.00 0.00 O ATOM 1291 CB LEU A 80 0.041 9.338 -1.412 1.00 0.00 C ATOM 1292 CG LEU A 80 1.139 8.343 -1.055 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.602 6.935 -1.032 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.288 8.460 -2.032 1.00 0.00 C ATOM 0 H LEU A 80 0.180 10.280 0.859 1.00 0.00 H new ATOM 0 HA LEU A 80 1.308 11.041 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.856 9.090 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.208 9.223 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 80 1.505 8.579 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.405 6.244 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.193 6.861 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.205 6.681 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.066 7.744 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.931 8.250 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.696 9.470 -1.994 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.380 12.379 -0.719 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.428 13.322 -1.079 1.00 0.00 C ATOM 1308 C GLY A 81 -3.659 12.644 -1.641 1.00 0.00 C ATOM 1309 O GLY A 81 -4.366 13.203 -2.477 1.00 0.00 O ATOM 0 H GLY A 81 -1.225 12.277 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.708 13.901 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.039 14.027 -1.814 1.00 0.00 H new ATOM 1313 N MET A 82 -3.926 11.440 -1.182 1.00 0.00 N ATOM 1314 CA MET A 82 -5.065 10.677 -1.661 1.00 0.00 C ATOM 1315 C MET A 82 -6.332 11.051 -0.913 1.00 0.00 C ATOM 1316 O MET A 82 -6.301 11.811 0.057 1.00 0.00 O ATOM 1317 CB MET A 82 -4.805 9.180 -1.510 1.00 0.00 C ATOM 1318 CG MET A 82 -3.573 8.703 -2.244 1.00 0.00 C ATOM 1319 SD MET A 82 -3.372 6.915 -2.200 1.00 0.00 S ATOM 1320 CE MET A 82 -3.129 6.639 -0.459 1.00 0.00 C ATOM 0 H MET A 82 -3.368 10.964 -0.473 1.00 0.00 H new ATOM 0 HA MET A 82 -5.202 10.916 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.702 8.943 -0.451 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.672 8.630 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.626 9.031 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.692 9.172 -1.806 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.061 5.568 -0.266 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.207 7.125 -0.139 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.970 7.055 0.096 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.448 10.511 -1.359 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.722 10.751 -0.718 1.00 0.00 C ATOM 1332 C GLU A 83 -9.376 9.432 -0.371 1.00 0.00 C ATOM 1333 O GLU A 83 -8.858 8.368 -0.709 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.635 11.612 -1.591 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.078 13.001 -1.860 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.119 13.958 -2.385 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.799 14.605 -1.559 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.256 14.078 -3.619 1.00 0.00 O ATOM 0 H GLU A 83 -7.496 9.897 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.548 11.308 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.801 11.105 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.607 11.706 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.654 13.402 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.263 12.927 -2.580 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.508 9.480 0.298 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.158 8.266 0.739 1.00 0.00 C ATOM 1347 C GLU A 84 -11.849 7.535 -0.404 1.00 0.00 C ATOM 1348 O GLU A 84 -12.299 8.145 -1.373 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.118 8.547 1.907 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.320 9.416 1.566 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.518 8.598 1.142 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.956 7.739 1.930 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.040 8.820 0.033 1.00 0.00 O ATOM 0 H GLU A 84 -10.994 10.341 0.547 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.381 7.595 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.478 7.595 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.558 9.029 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.585 10.022 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.052 10.105 0.765 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.878 6.210 -0.287 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.494 5.309 -1.264 1.00 0.00 C ATOM 1362 C GLU A 85 -11.669 5.269 -2.562 1.00 0.00 C ATOM 1363 O GLU A 85 -12.124 4.790 -3.607 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.966 5.703 -1.527 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.761 4.690 -2.348 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.713 3.287 -1.768 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -15.321 3.056 -0.713 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.076 2.403 -2.381 1.00 0.00 O ATOM 0 H GLU A 85 -11.465 5.719 0.506 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.500 4.301 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.466 5.846 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.984 6.663 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.799 5.016 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.372 4.670 -3.366 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.444 5.784 -2.501 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.556 5.738 -3.654 1.00 0.00 C ATOM 1377 C ASP A 86 -8.986 4.330 -3.818 1.00 0.00 C ATOM 1378 O ASP A 86 -9.192 3.449 -2.958 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.426 6.772 -3.543 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.994 7.307 -4.907 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.643 6.502 -5.792 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.041 8.540 -5.109 1.00 0.00 O ATOM 0 H ASP A 86 -10.049 6.233 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.140 5.991 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.756 7.602 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.569 6.318 -3.045 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.246 4.112 -4.885 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.749 2.795 -5.194 1.00 0.00 C ATOM 1389 C VAL A 87 -6.254 2.816 -5.491 1.00 0.00 C ATOM 1390 O VAL A 87 -5.750 3.670 -6.225 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.521 2.142 -6.388 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.024 2.230 -6.172 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.143 2.779 -7.721 1.00 0.00 C ATOM 0 H VAL A 87 -7.977 4.835 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.919 2.186 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.231 1.092 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.540 1.770 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.291 1.707 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.320 3.276 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.700 2.298 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.384 3.842 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.074 2.653 -7.894 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.544 1.896 -4.889 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.128 1.741 -5.139 1.00 0.00 C ATOM 1405 C ILE A 88 -3.937 0.549 -6.050 1.00 0.00 C ATOM 1406 O ILE A 88 -4.609 -0.469 -5.887 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.306 1.538 -3.821 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.162 2.856 -3.038 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.927 0.956 -4.120 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.460 3.410 -2.498 1.00 0.00 C ATOM 0 H ILE A 88 -5.926 1.234 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.758 2.655 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.859 0.831 -3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.476 2.696 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.706 3.602 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.377 0.825 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.039 -0.009 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.379 1.636 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.264 4.338 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.144 3.606 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.910 2.686 -1.819 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.010 0.644 -6.976 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.805 -0.409 -7.945 1.00 0.00 C ATOM 1424 C GLU A 89 -1.633 -1.284 -7.514 1.00 0.00 C ATOM 1425 O GLU A 89 -0.615 -0.787 -7.012 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.551 0.195 -9.328 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.375 -0.824 -10.435 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.635 -1.610 -10.721 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.592 -1.028 -11.273 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.665 -2.817 -10.437 1.00 0.00 O ATOM 0 H GLU A 89 -2.384 1.443 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.700 -1.029 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.384 0.850 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.658 0.819 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.058 -0.313 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.577 -1.514 -10.162 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.775 -2.575 -7.680 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.753 -3.511 -7.273 1.00 0.00 C ATOM 1439 C VAL A 90 -0.503 -4.573 -8.342 1.00 0.00 C ATOM 1440 O VAL A 90 -1.429 -5.189 -8.869 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.122 -4.196 -5.922 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.325 -5.467 -5.722 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.881 -3.251 -4.759 1.00 0.00 C ATOM 0 H VAL A 90 -2.598 -3.007 -8.099 1.00 0.00 H new ATOM 0 HA VAL A 90 0.165 -2.939 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.181 -4.451 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.602 -5.924 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.537 -6.161 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.739 -5.232 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.145 -3.748 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.171 -2.966 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.496 -2.359 -4.881 1.00 0.00 H new ATOM 1453 N TYR A 91 0.756 -4.783 -8.663 1.00 0.00 N ATOM 1454 CA TYR A 91 1.138 -5.793 -9.622 1.00 0.00 C ATOM 1455 C TYR A 91 1.965 -6.856 -8.936 1.00 0.00 C ATOM 1456 O TYR A 91 2.741 -6.556 -8.044 1.00 0.00 O ATOM 1457 CB TYR A 91 1.915 -5.175 -10.779 1.00 0.00 C ATOM 1458 CG TYR A 91 1.141 -4.111 -11.511 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.065 -4.448 -12.315 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.474 -2.770 -11.385 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.658 -3.483 -12.979 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.754 -1.796 -12.042 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.310 -2.156 -12.839 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.036 -1.183 -13.491 1.00 0.00 O ATOM 0 H TYR A 91 1.538 -4.261 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 91 0.237 -6.250 -10.030 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.841 -4.744 -10.398 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.194 -5.960 -11.481 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.212 -5.486 -12.423 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.310 -2.485 -10.763 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.492 -3.763 -13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.023 -0.756 -11.933 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.660 -0.302 -13.285 1.00 0.00 H new ATOM 1474 N GLN A 92 1.799 -8.096 -9.336 1.00 0.00 N ATOM 1475 CA GLN A 92 2.516 -9.186 -8.707 1.00 0.00 C ATOM 1476 C GLN A 92 3.144 -10.118 -9.743 1.00 0.00 C ATOM 1477 O GLN A 92 2.469 -10.628 -10.642 1.00 0.00 O ATOM 1478 CB GLN A 92 1.585 -9.969 -7.757 1.00 0.00 C ATOM 1479 CG GLN A 92 0.466 -10.740 -8.456 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.457 -11.460 -7.493 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.733 -10.846 -6.359 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -0.954 -12.548 -7.787 1.00 0.00 N flip ATOM 0 H GLN A 92 1.175 -8.377 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 92 3.328 -8.756 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.185 -10.671 -7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.140 -9.271 -7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.120 -10.048 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.906 -11.467 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.717 -12.994 -8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.602 -13.003 -7.144 1.00 0.00 H new ATOM 1491 N GLU A 93 4.444 -10.299 -9.645 1.00 0.00 N ATOM 1492 CA GLU A 93 5.149 -11.222 -10.509 1.00 0.00 C ATOM 1493 C GLU A 93 5.227 -12.593 -9.857 1.00 0.00 C ATOM 1494 O GLU A 93 4.927 -12.741 -8.669 1.00 0.00 O ATOM 1495 CB GLU A 93 6.534 -10.690 -10.845 1.00 0.00 C ATOM 1496 CG GLU A 93 6.497 -9.444 -11.708 1.00 0.00 C ATOM 1497 CD GLU A 93 7.867 -8.960 -12.097 1.00 0.00 C ATOM 1498 OE1 GLU A 93 8.551 -9.660 -12.877 1.00 0.00 O ATOM 1499 OE2 GLU A 93 8.263 -7.870 -11.648 1.00 0.00 O ATOM 0 H GLU A 93 5.037 -9.816 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 93 4.598 -11.321 -11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.066 -10.469 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.100 -11.466 -11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.920 -9.650 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.976 -8.651 -11.171 1.00 0.00 H new ATOM 1506 N GLN A 94 5.658 -13.596 -10.606 1.00 0.00 N ATOM 1507 CA GLN A 94 5.662 -14.966 -10.108 1.00 0.00 C ATOM 1508 C GLN A 94 7.078 -15.448 -9.805 1.00 0.00 C ATOM 1509 O GLN A 94 7.271 -16.533 -9.258 1.00 0.00 O ATOM 1510 CB GLN A 94 5.004 -15.892 -11.135 1.00 0.00 C ATOM 1511 CG GLN A 94 5.744 -15.952 -12.466 1.00 0.00 C ATOM 1512 CD GLN A 94 4.970 -16.687 -13.537 1.00 0.00 C ATOM 1513 OE1 GLN A 94 4.196 -16.088 -14.278 1.00 0.00 O ATOM 1514 NE2 GLN A 94 5.175 -17.981 -13.629 1.00 0.00 N ATOM 0 H GLN A 94 6.009 -13.490 -11.558 1.00 0.00 H new ATOM 0 HA GLN A 94 5.095 -14.988 -9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.942 -16.897 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.982 -15.557 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.952 -14.938 -12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.706 -16.442 -12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.827 -18.441 -12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.682 -18.526 -14.336 1.00 0.00 H new ATOM 1523 N THR A 95 8.067 -14.657 -10.171 1.00 0.00 N ATOM 1524 CA THR A 95 9.449 -15.019 -9.951 1.00 0.00 C ATOM 1525 C THR A 95 10.187 -13.942 -9.170 1.00 0.00 C ATOM 1526 O THR A 95 10.461 -12.855 -9.685 1.00 0.00 O ATOM 1527 CB THR A 95 10.170 -15.270 -11.289 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.859 -14.211 -12.216 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.751 -16.607 -11.879 1.00 0.00 C ATOM 0 H THR A 95 7.935 -13.753 -10.625 1.00 0.00 H new ATOM 0 HA THR A 95 9.452 -15.938 -9.365 1.00 0.00 H new ATOM 0 HB THR A 95 11.244 -15.290 -11.107 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.945 -13.345 -11.765 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.271 -16.767 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.007 -17.407 -11.185 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.675 -16.607 -12.052 1.00 0.00 H new ATOM 1537 N GLY A 96 10.486 -14.221 -7.920 1.00 0.00 N ATOM 1538 CA GLY A 96 11.214 -13.272 -7.111 1.00 0.00 C ATOM 1539 C GLY A 96 11.563 -13.827 -5.750 1.00 0.00 C ATOM 1540 O GLY A 96 12.712 -13.762 -5.313 1.00 0.00 O ATOM 0 H GLY A 96 10.238 -15.090 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.129 -12.983 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.617 -12.368 -6.990 1.00 0.00 H new ATOM 1544 N GLY A 97 10.582 -14.383 -5.073 1.00 0.00 N ATOM 1545 CA GLY A 97 10.807 -14.913 -3.753 1.00 0.00 C ATOM 1546 C GLY A 97 10.048 -16.188 -3.532 1.00 0.00 C ATOM 1547 O GLY A 97 9.022 -16.385 -4.199 1.00 0.00 O ATOM 1548 OXT GLY A 97 10.466 -17.001 -2.694 1.00 0.00 O ATOM 0 H GLY A 97 9.626 -14.478 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.872 -15.094 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.506 -14.176 -3.008 1.00 0.00 H new TER 1552 GLY A 97