USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 782 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 83 LYS NZ :NH3+ -112:sc= 1.16 (180deg=-0.216) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.0437 K(o=1.1,f=-6.1) USER MOD Set 2.1: A 24 SER OG : rot -179:sc= 0.649 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -175:sc= 1.54 (180deg=1.36) USER MOD Set 3.1: A 70 HIS : no HD1:sc= -0.817 K(o=-2.7,f=-14!) USER MOD Set 3.2: A 90 GLN : amide:sc= -1.85! K(o=-2.7!,f=-0.53) USER MOD Set 4.1: A 13 HIS : no HD1:sc= -0.822 K(o=-1.7,f=-2.4!) USER MOD Set 4.2: A 64 ASN : amide:sc= -0.87 K(o=-1.7,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.874 (180deg=0.0755) USER MOD Single : A 2 SER OG : rot 76:sc= 1.25 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.24 K(o=-1.2,f=-6.2!) USER MOD Single : A 7 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.53) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 9 SER OG : rot -58:sc= 0.109 USER MOD Single : A 10 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= 0.692 (180deg=-1.98!) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= 0.325 (180deg=-0.187) USER MOD Single : A 21 SER OG : rot 180:sc= -0.374 USER MOD Single : A 27 ASN : amide:sc= -3.7! C(o=-3.7!,f=-13!) USER MOD Single : A 32 SER OG : rot 37:sc= 0.408 USER MOD Single : A 33 TYR OH : rot 143:sc= -1.07! USER MOD Single : A 34 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.45! C(o=-3.4!,f=-12!) USER MOD Single : A 40 GLN : amide:sc= -0.842! X(o=-0.84!,f=-1.1) USER MOD Single : A 44 SER OG : rot 79:sc= 0.652 USER MOD Single : A 59 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.019) USER MOD Single : A 62 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.84) USER MOD Single : A 67 MET CE :methyl -152:sc= 0 (180deg=-0.0355) USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.18) USER MOD Single : A 86 THR OG1 : rot -124:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.07) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00737 USER MOD Single : A 101 SER OG : rot -142:sc= 1.08 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.781 -5.908 -4.601 1.00 0.00 N ATOM 2 CA GLY A 1 -27.895 -5.064 -3.387 1.00 0.00 C ATOM 3 C GLY A 1 -27.306 -5.740 -2.170 1.00 0.00 C ATOM 4 O GLY A 1 -26.256 -6.373 -2.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.689 -5.910 -5.109 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.038 -5.526 -5.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.536 -6.881 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.386 -4.115 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.944 -4.835 -3.202 1.00 0.00 H new ATOM 10 N SER A 2 -27.977 -5.609 -1.033 1.00 0.00 N ATOM 11 CA SER A 2 -27.511 -6.214 0.209 1.00 0.00 C ATOM 12 C SER A 2 -27.997 -7.657 0.330 1.00 0.00 C ATOM 13 O SER A 2 -27.305 -8.520 0.875 1.00 0.00 O ATOM 14 CB SER A 2 -28.015 -5.395 1.396 1.00 0.00 C ATOM 15 OG SER A 2 -29.423 -5.212 1.324 1.00 0.00 O ATOM 0 H SER A 2 -28.849 -5.087 -0.945 1.00 0.00 H new ATOM 0 HA SER A 2 -26.421 -6.221 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.757 -5.900 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.518 -4.425 1.411 1.00 0.00 H new ATOM 0 HG SER A 2 -29.875 -6.041 1.588 1.00 0.00 H new ATOM 21 N GLU A 3 -29.193 -7.905 -0.187 1.00 0.00 N ATOM 22 CA GLU A 3 -29.819 -9.216 -0.090 1.00 0.00 C ATOM 23 C GLU A 3 -29.154 -10.175 -1.063 1.00 0.00 C ATOM 24 O GLU A 3 -28.823 -11.313 -0.720 1.00 0.00 O ATOM 25 CB GLU A 3 -31.313 -9.104 -0.398 1.00 0.00 C ATOM 26 CG GLU A 3 -31.980 -7.907 0.261 1.00 0.00 C ATOM 27 CD GLU A 3 -31.849 -7.916 1.769 1.00 0.00 C ATOM 28 OE1 GLU A 3 -32.686 -8.563 2.435 1.00 0.00 O ATOM 29 OE2 GLU A 3 -30.916 -7.269 2.296 1.00 0.00 O ATOM 0 H GLU A 3 -29.752 -7.210 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 3 -29.697 -9.598 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -31.449 -9.037 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -31.813 -10.015 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -31.540 -6.990 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -33.036 -7.893 -0.007 1.00 0.00 H new ATOM 36 N LYS A 4 -28.963 -9.699 -2.282 1.00 0.00 N ATOM 37 CA LYS A 4 -28.233 -10.440 -3.293 1.00 0.00 C ATOM 38 C LYS A 4 -27.049 -9.612 -3.774 1.00 0.00 C ATOM 39 O LYS A 4 -27.192 -8.715 -4.608 1.00 0.00 O ATOM 40 CB LYS A 4 -29.152 -10.837 -4.453 1.00 0.00 C ATOM 41 CG LYS A 4 -30.109 -9.744 -4.905 1.00 0.00 C ATOM 42 CD LYS A 4 -30.990 -10.222 -6.050 1.00 0.00 C ATOM 43 CE LYS A 4 -31.746 -11.495 -5.689 1.00 0.00 C ATOM 44 NZ LYS A 4 -32.550 -12.011 -6.829 1.00 0.00 N ATOM 0 H LYS A 4 -29.308 -8.792 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 4 -27.855 -11.364 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.536 -11.136 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -29.733 -11.711 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -30.734 -9.435 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -29.542 -8.868 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -31.701 -9.439 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -30.375 -10.402 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -31.037 -12.259 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -32.403 -11.298 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -33.047 -12.877 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -33.245 -11.293 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -31.921 -12.224 -7.629 1.00 0.00 H new ATOM 58 N ARG A 5 -25.885 -9.904 -3.218 1.00 0.00 N ATOM 59 CA ARG A 5 -24.698 -9.098 -3.448 1.00 0.00 C ATOM 60 C ARG A 5 -23.647 -9.842 -4.259 1.00 0.00 C ATOM 61 O ARG A 5 -23.697 -11.065 -4.411 1.00 0.00 O ATOM 62 CB ARG A 5 -24.102 -8.652 -2.110 1.00 0.00 C ATOM 63 CG ARG A 5 -23.906 -9.791 -1.121 1.00 0.00 C ATOM 64 CD ARG A 5 -23.400 -9.288 0.221 1.00 0.00 C ATOM 65 NE ARG A 5 -23.411 -10.335 1.239 1.00 0.00 N ATOM 66 CZ ARG A 5 -22.662 -10.315 2.339 1.00 0.00 C ATOM 67 NH1 ARG A 5 -21.774 -9.349 2.534 1.00 0.00 N ATOM 68 NH2 ARG A 5 -22.787 -11.280 3.237 1.00 0.00 N ATOM 0 H ARG A 5 -25.737 -10.701 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 5 -25.003 -8.226 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -23.141 -8.171 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.755 -7.902 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -24.850 -10.317 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -23.198 -10.511 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -22.386 -8.906 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -24.019 -8.454 0.552 1.00 0.00 H new ATOM 0 HE ARG A 5 -24.032 -11.132 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -21.660 -8.612 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -21.205 -9.343 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.455 -12.035 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -22.215 -11.268 4.081 1.00 0.00 H new ATOM 82 N GLN A 6 -22.695 -9.076 -4.768 1.00 0.00 N ATOM 83 CA GLN A 6 -21.590 -9.611 -5.550 1.00 0.00 C ATOM 84 C GLN A 6 -20.346 -8.752 -5.346 1.00 0.00 C ATOM 85 O GLN A 6 -19.223 -9.256 -5.315 1.00 0.00 O ATOM 86 CB GLN A 6 -21.956 -9.665 -7.040 1.00 0.00 C ATOM 87 CG GLN A 6 -20.829 -10.168 -7.935 1.00 0.00 C ATOM 88 CD GLN A 6 -20.475 -11.629 -7.699 1.00 0.00 C ATOM 89 OE1 GLN A 6 -20.644 -12.162 -6.601 1.00 0.00 O ATOM 90 NE2 GLN A 6 -19.968 -12.285 -8.729 1.00 0.00 N ATOM 0 H GLN A 6 -22.666 -8.063 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 6 -21.384 -10.626 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -22.824 -10.312 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -22.250 -8.668 -7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -21.117 -10.036 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.943 -9.556 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.842 -11.811 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.703 -13.265 -8.629 1.00 0.00 H new ATOM 99 N HIS A 7 -20.551 -7.449 -5.192 1.00 0.00 N ATOM 100 CA HIS A 7 -19.445 -6.521 -4.998 1.00 0.00 C ATOM 101 C HIS A 7 -19.724 -5.607 -3.810 1.00 0.00 C ATOM 102 O HIS A 7 -20.081 -4.438 -3.963 1.00 0.00 O ATOM 103 CB HIS A 7 -19.161 -5.708 -6.275 1.00 0.00 C ATOM 104 CG HIS A 7 -20.355 -5.009 -6.864 1.00 0.00 C ATOM 105 ND1 HIS A 7 -20.589 -3.660 -6.713 1.00 0.00 N ATOM 106 CD2 HIS A 7 -21.368 -5.478 -7.629 1.00 0.00 C ATOM 107 CE1 HIS A 7 -21.691 -3.331 -7.358 1.00 0.00 C ATOM 108 NE2 HIS A 7 -22.184 -4.416 -7.923 1.00 0.00 N ATOM 0 H HIS A 7 -21.473 -7.012 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.548 -7.101 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.397 -4.963 -6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.743 -6.377 -7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -21.508 -6.500 -7.949 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.118 -2.340 -7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -23.033 -4.458 -8.486 1.00 0.00 H new ATOM 117 N SER A 8 -19.583 -6.163 -2.621 1.00 0.00 N ATOM 118 CA SER A 8 -19.781 -5.416 -1.393 1.00 0.00 C ATOM 119 C SER A 8 -18.813 -5.928 -0.332 1.00 0.00 C ATOM 120 O SER A 8 -18.335 -7.064 -0.429 1.00 0.00 O ATOM 121 CB SER A 8 -21.231 -5.544 -0.924 1.00 0.00 C ATOM 122 OG SER A 8 -22.129 -5.174 -1.960 1.00 0.00 O ATOM 0 H SER A 8 -19.329 -7.141 -2.479 1.00 0.00 H new ATOM 0 HA SER A 8 -19.581 -4.359 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.429 -6.570 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.393 -4.911 -0.052 1.00 0.00 H new ATOM 0 HG SER A 8 -23.051 -5.264 -1.641 1.00 0.00 H new ATOM 128 N SER A 9 -18.525 -5.094 0.665 1.00 0.00 N ATOM 129 CA SER A 9 -17.490 -5.392 1.649 1.00 0.00 C ATOM 130 C SER A 9 -16.163 -5.626 0.924 1.00 0.00 C ATOM 131 O SER A 9 -15.409 -6.545 1.237 1.00 0.00 O ATOM 132 CB SER A 9 -17.873 -6.612 2.502 1.00 0.00 C ATOM 133 OG SER A 9 -17.020 -6.741 3.630 1.00 0.00 O ATOM 0 H SER A 9 -18.998 -4.202 0.812 1.00 0.00 H new ATOM 0 HA SER A 9 -17.386 -4.544 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.907 -6.516 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.816 -7.515 1.895 1.00 0.00 H new ATOM 0 HG SER A 9 -16.090 -6.815 3.330 1.00 0.00 H new ATOM 139 N GLN A 10 -15.887 -4.760 -0.042 1.00 0.00 N ATOM 140 CA GLN A 10 -14.723 -4.887 -0.900 1.00 0.00 C ATOM 141 C GLN A 10 -13.563 -4.113 -0.302 1.00 0.00 C ATOM 142 O GLN A 10 -12.922 -3.306 -0.974 1.00 0.00 O ATOM 143 CB GLN A 10 -15.042 -4.385 -2.308 1.00 0.00 C ATOM 144 CG GLN A 10 -16.153 -5.169 -2.981 1.00 0.00 C ATOM 145 CD GLN A 10 -15.778 -6.611 -3.268 1.00 0.00 C ATOM 146 OE1 GLN A 10 -16.632 -7.496 -3.256 1.00 0.00 O ATOM 147 NE2 GLN A 10 -14.506 -6.859 -3.540 1.00 0.00 N ATOM 0 H GLN A 10 -16.468 -3.948 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.444 -5.938 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.326 -3.334 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.142 -4.442 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.038 -5.150 -2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.421 -4.677 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.827 -6.098 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.205 -7.811 -3.749 1.00 0.00 H new ATOM 156 N ASP A 11 -13.390 -4.331 0.997 1.00 0.00 N ATOM 157 CA ASP A 11 -12.272 -3.828 1.794 1.00 0.00 C ATOM 158 C ASP A 11 -11.027 -3.506 0.974 1.00 0.00 C ATOM 159 O ASP A 11 -10.568 -4.323 0.166 1.00 0.00 O ATOM 160 CB ASP A 11 -11.913 -4.875 2.863 1.00 0.00 C ATOM 161 CG ASP A 11 -10.424 -4.954 3.181 1.00 0.00 C ATOM 162 OD1 ASP A 11 -9.943 -4.169 4.019 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.740 -5.836 2.610 1.00 0.00 O ATOM 0 H ASP A 11 -14.048 -4.883 1.546 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.601 -2.890 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.458 -4.645 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.254 -5.854 2.527 1.00 0.00 H new ATOM 168 N VAL A 12 -10.478 -2.317 1.187 1.00 0.00 N ATOM 169 CA VAL A 12 -9.172 -2.022 0.654 1.00 0.00 C ATOM 170 C VAL A 12 -8.124 -2.510 1.614 1.00 0.00 C ATOM 171 O VAL A 12 -8.019 -2.045 2.750 1.00 0.00 O ATOM 172 CB VAL A 12 -8.877 -0.541 0.337 1.00 0.00 C ATOM 173 CG1 VAL A 12 -9.324 -0.180 -1.071 1.00 0.00 C ATOM 174 CG2 VAL A 12 -9.466 0.401 1.376 1.00 0.00 C ATOM 0 H VAL A 12 -10.913 -1.561 1.715 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.151 -2.537 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.796 -0.413 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.103 0.870 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.793 -0.802 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.397 -0.349 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.231 1.431 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.548 0.273 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.042 0.175 2.354 1.00 0.00 H new ATOM 184 N HIS A 13 -7.344 -3.439 1.146 1.00 0.00 N ATOM 185 CA HIS A 13 -6.204 -3.885 1.887 1.00 0.00 C ATOM 186 C HIS A 13 -5.025 -3.191 1.274 1.00 0.00 C ATOM 187 O HIS A 13 -4.558 -3.556 0.195 1.00 0.00 O ATOM 188 CB HIS A 13 -6.030 -5.403 1.824 1.00 0.00 C ATOM 189 CG HIS A 13 -4.948 -5.891 2.733 1.00 0.00 C ATOM 190 ND1 HIS A 13 -3.799 -6.508 2.290 1.00 0.00 N ATOM 191 CD2 HIS A 13 -4.833 -5.803 4.073 1.00 0.00 C ATOM 192 CE1 HIS A 13 -3.024 -6.775 3.325 1.00 0.00 C ATOM 193 NE2 HIS A 13 -3.624 -6.353 4.423 1.00 0.00 N ATOM 0 H HIS A 13 -7.479 -3.905 0.248 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.317 -3.647 2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.970 -5.885 2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.801 -5.697 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.560 -5.377 4.749 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.059 -7.258 3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.253 -6.423 5.370 1.00 0.00 H new ATOM 202 N VAL A 14 -4.542 -2.192 1.965 1.00 0.00 N ATOM 203 CA VAL A 14 -3.648 -1.251 1.361 1.00 0.00 C ATOM 204 C VAL A 14 -2.239 -1.599 1.734 1.00 0.00 C ATOM 205 O VAL A 14 -1.783 -1.339 2.842 1.00 0.00 O ATOM 206 CB VAL A 14 -3.950 0.187 1.819 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.306 1.198 0.887 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.449 0.420 1.921 1.00 0.00 C ATOM 0 H VAL A 14 -4.755 -2.013 2.946 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.781 -1.301 0.280 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.520 0.322 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.534 2.207 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.226 1.051 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.696 1.062 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.637 1.443 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.909 0.259 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.877 -0.275 2.644 1.00 0.00 H new ATOM 218 N VAL A 15 -1.565 -2.211 0.797 1.00 0.00 N ATOM 219 CA VAL A 15 -0.185 -2.547 0.973 1.00 0.00 C ATOM 220 C VAL A 15 0.662 -1.332 0.667 1.00 0.00 C ATOM 221 O VAL A 15 0.734 -0.871 -0.473 1.00 0.00 O ATOM 222 CB VAL A 15 0.222 -3.759 0.102 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.218 -3.584 -1.344 1.00 0.00 C ATOM 224 CG2 VAL A 15 1.719 -4.004 0.181 1.00 0.00 C ATOM 0 H VAL A 15 -1.958 -2.487 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.020 -2.844 2.009 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.292 -4.634 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.086 -4.455 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.302 -3.481 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.247 -2.690 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.981 -4.861 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.251 -3.122 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.001 -4.205 1.215 1.00 0.00 H new ATOM 234 N LEU A 16 1.268 -0.788 1.696 1.00 0.00 N ATOM 235 CA LEU A 16 2.085 0.384 1.548 1.00 0.00 C ATOM 236 C LEU A 16 3.532 -0.030 1.581 1.00 0.00 C ATOM 237 O LEU A 16 4.047 -0.453 2.608 1.00 0.00 O ATOM 238 CB LEU A 16 1.813 1.399 2.666 1.00 0.00 C ATOM 239 CG LEU A 16 2.079 2.858 2.294 1.00 0.00 C ATOM 240 CD1 LEU A 16 1.900 3.778 3.485 1.00 0.00 C ATOM 241 CD2 LEU A 16 3.472 3.039 1.722 1.00 0.00 C ATOM 0 H LEU A 16 1.207 -1.145 2.650 1.00 0.00 H new ATOM 0 HA LEU A 16 1.846 0.862 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.773 1.303 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.429 1.141 3.528 1.00 0.00 H new ATOM 0 HG LEU A 16 1.347 3.124 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.097 4.807 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.878 3.698 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.596 3.492 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.628 4.088 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.212 2.731 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.579 2.429 0.825 1.00 0.00 H new ATOM 253 N LYS A 17 4.185 0.093 0.454 1.00 0.00 N ATOM 254 CA LYS A 17 5.590 -0.195 0.391 1.00 0.00 C ATOM 255 C LYS A 17 6.347 1.121 0.349 1.00 0.00 C ATOM 256 O LYS A 17 5.990 2.037 -0.399 1.00 0.00 O ATOM 257 CB LYS A 17 5.924 -1.080 -0.816 1.00 0.00 C ATOM 258 CG LYS A 17 5.173 -2.405 -0.846 1.00 0.00 C ATOM 259 CD LYS A 17 5.440 -3.139 -2.147 1.00 0.00 C ATOM 260 CE LYS A 17 4.677 -4.456 -2.248 1.00 0.00 C ATOM 261 NZ LYS A 17 5.226 -5.529 -1.377 1.00 0.00 N ATOM 0 H LYS A 17 3.766 0.389 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 17 5.891 -0.757 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.701 -0.528 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.995 -1.282 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.481 -3.023 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.103 -2.226 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.163 -2.498 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.508 -3.335 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.634 -4.283 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.692 -4.797 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.347 -6.400 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.147 -5.231 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.569 -5.708 -0.591 1.00 0.00 H new ATOM 275 N LEU A 18 7.378 1.192 1.162 1.00 0.00 N ATOM 276 CA LEU A 18 8.171 2.395 1.359 1.00 0.00 C ATOM 277 C LEU A 18 9.430 2.272 0.518 1.00 0.00 C ATOM 278 O LEU A 18 10.190 1.312 0.670 1.00 0.00 O ATOM 279 CB LEU A 18 8.514 2.474 2.855 1.00 0.00 C ATOM 280 CG LEU A 18 9.702 3.348 3.254 1.00 0.00 C ATOM 281 CD1 LEU A 18 9.300 4.798 3.444 1.00 0.00 C ATOM 282 CD2 LEU A 18 10.328 2.812 4.529 1.00 0.00 C ATOM 0 H LEU A 18 7.699 0.400 1.719 1.00 0.00 H new ATOM 0 HA LEU A 18 7.637 3.297 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.634 2.838 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.704 1.462 3.212 1.00 0.00 H new ATOM 0 HG LEU A 18 10.429 3.312 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.174 5.384 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.889 5.187 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.547 4.867 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.175 3.438 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.588 2.822 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.671 1.791 4.364 1.00 0.00 H new ATOM 294 N TRP A 19 9.617 3.207 -0.399 1.00 0.00 N ATOM 295 CA TRP A 19 10.702 3.126 -1.359 1.00 0.00 C ATOM 296 C TRP A 19 11.759 4.182 -1.057 1.00 0.00 C ATOM 297 O TRP A 19 11.730 4.804 -0.002 1.00 0.00 O ATOM 298 CB TRP A 19 10.178 3.309 -2.781 1.00 0.00 C ATOM 299 CG TRP A 19 8.964 2.499 -3.109 1.00 0.00 C ATOM 300 CD1 TRP A 19 7.711 2.990 -3.297 1.00 0.00 C ATOM 301 CD2 TRP A 19 8.865 1.075 -3.282 1.00 0.00 C ATOM 302 NE1 TRP A 19 6.857 1.987 -3.644 1.00 0.00 N ATOM 303 CE2 TRP A 19 7.529 0.803 -3.626 1.00 0.00 C ATOM 304 CE3 TRP A 19 9.763 0.002 -3.203 1.00 0.00 C ATOM 305 CZ2 TRP A 19 7.070 -0.475 -3.897 1.00 0.00 C ATOM 306 CZ3 TRP A 19 9.295 -1.276 -3.460 1.00 0.00 C ATOM 307 CH2 TRP A 19 7.962 -1.502 -3.807 1.00 0.00 C ATOM 0 H TRP A 19 9.028 4.034 -0.498 1.00 0.00 H new ATOM 0 HA TRP A 19 11.154 2.138 -1.277 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.947 4.363 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.971 3.050 -3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.432 4.028 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.872 2.104 -3.880 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.799 0.168 -2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.040 -0.652 -4.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.974 -2.113 -3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.631 -2.510 -4.008 1.00 0.00 H new ATOM 318 N LYS A 20 12.702 4.374 -1.963 1.00 0.00 N ATOM 319 CA LYS A 20 13.769 5.333 -1.726 1.00 0.00 C ATOM 320 C LYS A 20 13.311 6.759 -2.016 1.00 0.00 C ATOM 321 O LYS A 20 13.682 7.695 -1.309 1.00 0.00 O ATOM 322 CB LYS A 20 15.025 4.964 -2.533 1.00 0.00 C ATOM 323 CG LYS A 20 14.788 4.699 -4.017 1.00 0.00 C ATOM 324 CD LYS A 20 14.869 5.970 -4.850 1.00 0.00 C ATOM 325 CE LYS A 20 14.715 5.672 -6.333 1.00 0.00 C ATOM 326 NZ LYS A 20 15.852 4.870 -6.865 1.00 0.00 N ATOM 0 H LYS A 20 12.752 3.887 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 20 14.031 5.291 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.750 5.772 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.475 4.076 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.526 3.983 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.808 4.242 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.090 6.664 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.825 6.462 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.783 5.132 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.643 6.609 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.349 5.416 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.511 4.647 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.491 3.986 -7.277 1.00 0.00 H new ATOM 340 N SER A 21 12.477 6.916 -3.027 1.00 0.00 N ATOM 341 CA SER A 21 12.016 8.231 -3.430 1.00 0.00 C ATOM 342 C SER A 21 10.664 8.553 -2.805 1.00 0.00 C ATOM 343 O SER A 21 10.382 9.706 -2.482 1.00 0.00 O ATOM 344 CB SER A 21 11.937 8.300 -4.952 1.00 0.00 C ATOM 345 OG SER A 21 11.326 7.132 -5.474 1.00 0.00 O ATOM 0 H SER A 21 12.105 6.148 -3.585 1.00 0.00 H new ATOM 0 HA SER A 21 12.728 8.976 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.368 9.180 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.938 8.410 -5.369 1.00 0.00 H new ATOM 0 HG SER A 21 11.282 7.194 -6.451 1.00 0.00 H new ATOM 351 N GLY A 22 9.839 7.532 -2.614 1.00 0.00 N ATOM 352 CA GLY A 22 8.516 7.749 -2.071 1.00 0.00 C ATOM 353 C GLY A 22 7.843 6.466 -1.623 1.00 0.00 C ATOM 354 O GLY A 22 8.510 5.483 -1.325 1.00 0.00 O ATOM 0 H GLY A 22 10.063 6.560 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.584 8.432 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.895 8.235 -2.824 1.00 0.00 H new ATOM 358 N PHE A 23 6.522 6.475 -1.591 1.00 0.00 N ATOM 359 CA PHE A 23 5.753 5.325 -1.125 1.00 0.00 C ATOM 360 C PHE A 23 4.652 5.002 -2.129 1.00 0.00 C ATOM 361 O PHE A 23 4.301 5.833 -2.968 1.00 0.00 O ATOM 362 CB PHE A 23 5.149 5.614 0.261 1.00 0.00 C ATOM 363 CG PHE A 23 4.056 6.629 0.188 1.00 0.00 C ATOM 364 CD1 PHE A 23 4.355 7.963 0.010 1.00 0.00 C ATOM 365 CD2 PHE A 23 2.723 6.242 0.215 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.353 8.884 -0.138 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.723 7.172 0.087 1.00 0.00 C ATOM 368 CZ PHE A 23 2.040 8.493 -0.095 1.00 0.00 C ATOM 0 H PHE A 23 5.953 7.269 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 23 6.416 4.464 -1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.759 4.690 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.931 5.970 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.386 8.283 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.471 5.199 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.599 9.925 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.689 6.864 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.255 9.226 -0.205 1.00 0.00 H new ATOM 378 N SER A 24 4.128 3.793 -2.052 1.00 0.00 N ATOM 379 CA SER A 24 3.057 3.366 -2.939 1.00 0.00 C ATOM 380 C SER A 24 2.015 2.579 -2.167 1.00 0.00 C ATOM 381 O SER A 24 2.348 1.817 -1.256 1.00 0.00 O ATOM 382 CB SER A 24 3.650 2.498 -4.048 1.00 0.00 C ATOM 383 OG SER A 24 4.208 1.312 -3.502 1.00 0.00 O ATOM 0 H SER A 24 4.427 3.085 -1.382 1.00 0.00 H new ATOM 0 HA SER A 24 2.574 4.242 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.876 2.244 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.418 3.056 -4.584 1.00 0.00 H new ATOM 0 HG SER A 24 4.591 0.769 -4.222 1.00 0.00 H new ATOM 389 N LEU A 25 0.761 2.751 -2.553 1.00 0.00 N ATOM 390 CA LEU A 25 -0.351 2.077 -1.905 1.00 0.00 C ATOM 391 C LEU A 25 -0.862 0.958 -2.804 1.00 0.00 C ATOM 392 O LEU A 25 -0.311 0.731 -3.878 1.00 0.00 O ATOM 393 CB LEU A 25 -1.500 3.059 -1.623 1.00 0.00 C ATOM 394 CG LEU A 25 -1.134 4.374 -0.924 1.00 0.00 C ATOM 395 CD1 LEU A 25 -0.294 4.108 0.309 1.00 0.00 C ATOM 396 CD2 LEU A 25 -0.435 5.326 -1.888 1.00 0.00 C ATOM 0 H LEU A 25 0.486 3.361 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 25 0.001 1.668 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.980 3.301 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.243 2.546 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.054 4.859 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.045 5.054 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.856 3.484 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.623 3.595 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.186 6.251 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.478 4.861 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.097 5.547 -2.725 1.00 0.00 H new ATOM 408 N ASP A 26 -1.893 0.254 -2.365 1.00 0.00 N ATOM 409 CA ASP A 26 -2.567 -0.732 -3.213 1.00 0.00 C ATOM 410 C ASP A 26 -3.296 -0.035 -4.365 1.00 0.00 C ATOM 411 O ASP A 26 -3.608 -0.645 -5.386 1.00 0.00 O ATOM 412 CB ASP A 26 -3.558 -1.547 -2.372 1.00 0.00 C ATOM 413 CG ASP A 26 -4.352 -2.555 -3.187 1.00 0.00 C ATOM 414 OD1 ASP A 26 -3.777 -3.583 -3.596 1.00 0.00 O ATOM 415 OD2 ASP A 26 -5.565 -2.332 -3.405 1.00 0.00 O ATOM 0 H ASP A 26 -2.286 0.343 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.821 -1.405 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.012 -2.073 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.250 -0.866 -1.876 1.00 0.00 H new ATOM 420 N ASN A 27 -3.517 1.263 -4.203 1.00 0.00 N ATOM 421 CA ASN A 27 -4.328 2.039 -5.137 1.00 0.00 C ATOM 422 C ASN A 27 -3.534 2.507 -6.361 1.00 0.00 C ATOM 423 O ASN A 27 -4.126 2.909 -7.365 1.00 0.00 O ATOM 424 CB ASN A 27 -4.941 3.259 -4.418 1.00 0.00 C ATOM 425 CG ASN A 27 -3.875 4.160 -3.792 1.00 0.00 C ATOM 426 OD1 ASN A 27 -2.759 4.267 -4.287 1.00 0.00 O ATOM 427 ND2 ASN A 27 -4.194 4.811 -2.691 1.00 0.00 N ATOM 0 H ASN A 27 -3.142 1.807 -3.426 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.118 1.379 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.531 3.838 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.624 2.915 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.508 5.415 -2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.127 4.711 -2.292 1.00 0.00 H new ATOM 434 N GLY A 28 -2.208 2.463 -6.290 1.00 0.00 N ATOM 435 CA GLY A 28 -1.411 3.004 -7.372 1.00 0.00 C ATOM 436 C GLY A 28 0.075 2.775 -7.203 1.00 0.00 C ATOM 437 O GLY A 28 0.500 1.812 -6.561 1.00 0.00 O ATOM 0 H GLY A 28 -1.678 2.068 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.735 2.554 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.599 4.075 -7.450 1.00 0.00 H new ATOM 441 N GLU A 29 0.861 3.680 -7.768 1.00 0.00 N ATOM 442 CA GLU A 29 2.301 3.499 -7.869 1.00 0.00 C ATOM 443 C GLU A 29 3.077 4.360 -6.865 1.00 0.00 C ATOM 444 O GLU A 29 2.503 4.962 -5.955 1.00 0.00 O ATOM 445 CB GLU A 29 2.748 3.808 -9.301 1.00 0.00 C ATOM 446 CG GLU A 29 2.119 2.887 -10.340 1.00 0.00 C ATOM 447 CD GLU A 29 2.371 3.338 -11.762 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.655 4.249 -12.232 1.00 0.00 O ATOM 449 OE2 GLU A 29 3.266 2.773 -12.428 1.00 0.00 O ATOM 0 H GLU A 29 0.521 4.555 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 29 2.525 2.461 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.493 4.841 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.833 3.725 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.513 1.879 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.044 2.834 -10.167 1.00 0.00 H new ATOM 456 N LEU A 30 4.391 4.392 -7.055 1.00 0.00 N ATOM 457 CA LEU A 30 5.332 5.050 -6.155 1.00 0.00 C ATOM 458 C LEU A 30 5.334 6.566 -6.399 1.00 0.00 C ATOM 459 O LEU A 30 5.649 7.038 -7.494 1.00 0.00 O ATOM 460 CB LEU A 30 6.712 4.386 -6.411 1.00 0.00 C ATOM 461 CG LEU A 30 7.981 4.837 -5.645 1.00 0.00 C ATOM 462 CD1 LEU A 30 9.158 4.914 -6.592 1.00 0.00 C ATOM 463 CD2 LEU A 30 7.825 6.147 -4.917 1.00 0.00 C ATOM 0 H LEU A 30 4.842 3.952 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 30 5.059 4.929 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.590 3.319 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.926 4.500 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 30 8.155 4.081 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.045 5.232 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.335 3.933 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.943 5.633 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.756 6.393 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.585 6.934 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.021 6.063 -4.186 1.00 0.00 H new ATOM 475 N ARG A 31 4.965 7.319 -5.364 1.00 0.00 N ATOM 476 CA ARG A 31 5.040 8.776 -5.402 1.00 0.00 C ATOM 477 C ARG A 31 6.126 9.273 -4.453 1.00 0.00 C ATOM 478 O ARG A 31 6.147 8.901 -3.279 1.00 0.00 O ATOM 479 CB ARG A 31 3.707 9.413 -5.009 1.00 0.00 C ATOM 480 CG ARG A 31 2.517 8.903 -5.798 1.00 0.00 C ATOM 481 CD ARG A 31 1.295 9.790 -5.595 1.00 0.00 C ATOM 482 NE ARG A 31 1.533 11.164 -6.053 1.00 0.00 N ATOM 483 CZ ARG A 31 1.100 11.655 -7.215 1.00 0.00 C ATOM 484 NH1 ARG A 31 0.427 10.890 -8.062 1.00 0.00 N ATOM 485 NH2 ARG A 31 1.349 12.919 -7.535 1.00 0.00 N ATOM 0 H ARG A 31 4.610 6.941 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 31 5.279 9.065 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.530 9.233 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.780 10.493 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.770 8.866 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.284 7.884 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.447 9.369 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.026 9.801 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 31 2.065 11.784 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.236 9.916 -7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.100 11.275 -8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.871 13.514 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.018 13.295 -8.424 1.00 0.00 H new ATOM 499 N SER A 32 7.017 10.111 -4.970 1.00 0.00 N ATOM 500 CA SER A 32 8.120 10.662 -4.190 1.00 0.00 C ATOM 501 C SER A 32 7.593 11.605 -3.113 1.00 0.00 C ATOM 502 O SER A 32 6.776 12.472 -3.403 1.00 0.00 O ATOM 503 CB SER A 32 9.084 11.402 -5.122 1.00 0.00 C ATOM 504 OG SER A 32 10.169 11.967 -4.406 1.00 0.00 O ATOM 0 H SER A 32 6.996 10.427 -5.939 1.00 0.00 H new ATOM 0 HA SER A 32 8.651 9.847 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.464 10.712 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.547 12.189 -5.652 1.00 0.00 H new ATOM 0 HG SER A 32 10.429 11.365 -3.677 1.00 0.00 H new ATOM 510 N TYR A 33 8.102 11.446 -1.882 1.00 0.00 N ATOM 511 CA TYR A 33 7.562 12.135 -0.699 1.00 0.00 C ATOM 512 C TYR A 33 7.531 13.658 -0.875 1.00 0.00 C ATOM 513 O TYR A 33 6.827 14.358 -0.144 1.00 0.00 O ATOM 514 CB TYR A 33 8.397 11.820 0.547 1.00 0.00 C ATOM 515 CG TYR A 33 8.787 10.367 0.724 1.00 0.00 C ATOM 516 CD1 TYR A 33 7.855 9.382 1.057 1.00 0.00 C ATOM 517 CD2 TYR A 33 10.113 9.984 0.568 1.00 0.00 C ATOM 518 CE1 TYR A 33 8.242 8.066 1.219 1.00 0.00 C ATOM 519 CE2 TYR A 33 10.501 8.674 0.727 1.00 0.00 C ATOM 520 CZ TYR A 33 9.568 7.724 1.052 1.00 0.00 C ATOM 521 OH TYR A 33 9.960 6.427 1.194 1.00 0.00 O ATOM 0 H TYR A 33 8.896 10.839 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 33 6.542 11.770 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.306 12.420 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.837 12.137 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.818 9.653 1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.854 10.729 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.513 7.311 1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.536 8.395 0.596 1.00 0.00 H new ATOM 0 HH TYR A 33 10.655 6.221 0.535 1.00 0.00 H new ATOM 531 N GLN A 34 8.324 14.163 -1.814 1.00 0.00 N ATOM 532 CA GLN A 34 8.378 15.596 -2.093 1.00 0.00 C ATOM 533 C GLN A 34 7.086 16.075 -2.753 1.00 0.00 C ATOM 534 O GLN A 34 6.627 17.188 -2.502 1.00 0.00 O ATOM 535 CB GLN A 34 9.575 15.913 -2.993 1.00 0.00 C ATOM 536 CG GLN A 34 10.922 15.615 -2.351 1.00 0.00 C ATOM 537 CD GLN A 34 11.296 16.596 -1.252 1.00 0.00 C ATOM 538 OE1 GLN A 34 10.435 17.164 -0.573 1.00 0.00 O ATOM 539 NE2 GLN A 34 12.588 16.794 -1.066 1.00 0.00 N ATOM 0 H GLN A 34 8.942 13.599 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 34 8.493 16.122 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.487 15.338 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.540 16.967 -3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.904 14.607 -1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.694 15.630 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.268 16.305 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.906 17.436 -0.340 1.00 0.00 H new ATOM 548 N ASP A 35 6.503 15.219 -3.584 1.00 0.00 N ATOM 549 CA ASP A 35 5.274 15.547 -4.304 1.00 0.00 C ATOM 550 C ASP A 35 4.132 15.868 -3.337 1.00 0.00 C ATOM 551 O ASP A 35 3.783 15.064 -2.471 1.00 0.00 O ATOM 552 CB ASP A 35 4.895 14.392 -5.237 1.00 0.00 C ATOM 553 CG ASP A 35 3.421 14.369 -5.600 1.00 0.00 C ATOM 554 OD1 ASP A 35 2.977 15.226 -6.384 1.00 0.00 O ATOM 555 OD2 ASP A 35 2.696 13.479 -5.102 1.00 0.00 O ATOM 0 H ASP A 35 6.864 14.285 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 35 5.451 16.440 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.485 14.464 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.159 13.448 -4.760 1.00 0.00 H new ATOM 560 N PRO A 36 3.541 17.066 -3.479 1.00 0.00 N ATOM 561 CA PRO A 36 2.489 17.557 -2.577 1.00 0.00 C ATOM 562 C PRO A 36 1.218 16.710 -2.608 1.00 0.00 C ATOM 563 O PRO A 36 0.377 16.815 -1.713 1.00 0.00 O ATOM 564 CB PRO A 36 2.190 18.969 -3.097 1.00 0.00 C ATOM 565 CG PRO A 36 3.370 19.339 -3.928 1.00 0.00 C ATOM 566 CD PRO A 36 3.869 18.055 -4.520 1.00 0.00 C ATOM 0 HA PRO A 36 2.821 17.523 -1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.273 18.985 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.053 19.671 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.092 20.048 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.141 19.817 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.376 17.827 -5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.940 18.091 -4.720 1.00 0.00 H new ATOM 574 N SER A 37 1.077 15.871 -3.625 1.00 0.00 N ATOM 575 CA SER A 37 -0.110 15.046 -3.762 1.00 0.00 C ATOM 576 C SER A 37 -0.047 13.857 -2.805 1.00 0.00 C ATOM 577 O SER A 37 -1.068 13.442 -2.252 1.00 0.00 O ATOM 578 CB SER A 37 -0.268 14.571 -5.210 1.00 0.00 C ATOM 579 OG SER A 37 -1.491 13.876 -5.402 1.00 0.00 O ATOM 0 H SER A 37 1.769 15.746 -4.364 1.00 0.00 H new ATOM 0 HA SER A 37 -0.982 15.646 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.227 15.429 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.566 13.920 -5.473 1.00 0.00 H new ATOM 0 HG SER A 37 -1.561 13.588 -6.336 1.00 0.00 H new ATOM 585 N ASN A 38 1.151 13.319 -2.592 1.00 0.00 N ATOM 586 CA ASN A 38 1.307 12.189 -1.683 1.00 0.00 C ATOM 587 C ASN A 38 1.629 12.646 -0.276 1.00 0.00 C ATOM 588 O ASN A 38 1.417 11.903 0.683 1.00 0.00 O ATOM 589 CB ASN A 38 2.365 11.203 -2.162 1.00 0.00 C ATOM 590 CG ASN A 38 3.773 11.741 -2.143 1.00 0.00 C ATOM 591 OD1 ASN A 38 4.471 11.672 -1.135 1.00 0.00 O ATOM 592 ND2 ASN A 38 4.207 12.257 -3.266 1.00 0.00 N ATOM 0 H ASN A 38 2.015 13.641 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 38 0.347 11.674 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.322 10.311 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.121 10.893 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.158 12.621 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.594 12.295 -4.080 1.00 0.00 H new ATOM 599 N ALA A 39 2.141 13.861 -0.159 1.00 0.00 N ATOM 600 CA ALA A 39 2.360 14.487 1.147 1.00 0.00 C ATOM 601 C ALA A 39 1.114 14.354 2.025 1.00 0.00 C ATOM 602 O ALA A 39 1.209 14.208 3.248 1.00 0.00 O ATOM 603 CB ALA A 39 2.735 15.950 0.975 1.00 0.00 C ATOM 0 H ALA A 39 2.415 14.440 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 39 3.184 13.972 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.895 16.402 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.650 16.024 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.930 16.474 0.460 1.00 0.00 H new ATOM 609 N GLN A 40 -0.050 14.395 1.375 1.00 0.00 N ATOM 610 CA GLN A 40 -1.327 14.143 2.030 1.00 0.00 C ATOM 611 C GLN A 40 -1.292 12.818 2.780 1.00 0.00 C ATOM 612 O GLN A 40 -1.491 12.775 3.993 1.00 0.00 O ATOM 613 CB GLN A 40 -2.444 14.086 0.991 1.00 0.00 C ATOM 614 CG GLN A 40 -3.799 13.732 1.581 1.00 0.00 C ATOM 615 CD GLN A 40 -4.679 12.979 0.604 1.00 0.00 C ATOM 616 OE1 GLN A 40 -5.434 13.580 -0.160 1.00 0.00 O ATOM 617 NE2 GLN A 40 -4.576 11.655 0.624 1.00 0.00 N ATOM 0 H GLN A 40 -0.130 14.604 0.380 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.512 14.954 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.515 15.052 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.184 13.351 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.655 13.127 2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.306 14.645 1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.935 11.203 1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.138 11.090 -0.013 1.00 0.00 H new ATOM 626 N PHE A 41 -1.026 11.740 2.037 1.00 0.00 N ATOM 627 CA PHE A 41 -1.010 10.398 2.602 1.00 0.00 C ATOM 628 C PHE A 41 -0.058 10.338 3.779 1.00 0.00 C ATOM 629 O PHE A 41 -0.435 9.893 4.854 1.00 0.00 O ATOM 630 CB PHE A 41 -0.568 9.357 1.576 1.00 0.00 C ATOM 631 CG PHE A 41 -1.300 9.386 0.274 1.00 0.00 C ATOM 632 CD1 PHE A 41 -2.567 8.856 0.148 1.00 0.00 C ATOM 633 CD2 PHE A 41 -0.694 9.933 -0.835 1.00 0.00 C ATOM 634 CE1 PHE A 41 -3.217 8.878 -1.065 1.00 0.00 C ATOM 635 CE2 PHE A 41 -1.333 9.957 -2.054 1.00 0.00 C ATOM 636 CZ PHE A 41 -2.598 9.429 -2.171 1.00 0.00 C ATOM 0 H PHE A 41 -0.819 11.777 1.039 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.028 10.173 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.495 9.496 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.684 8.367 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.053 8.420 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.298 10.350 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.211 8.465 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.844 10.388 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.106 9.445 -3.124 1.00 0.00 H new ATOM 646 N LEU A 42 1.174 10.801 3.563 1.00 0.00 N ATOM 647 CA LEU A 42 2.193 10.807 4.611 1.00 0.00 C ATOM 648 C LEU A 42 1.616 11.309 5.924 1.00 0.00 C ATOM 649 O LEU A 42 1.667 10.633 6.952 1.00 0.00 O ATOM 650 CB LEU A 42 3.367 11.710 4.240 1.00 0.00 C ATOM 651 CG LEU A 42 4.453 11.087 3.379 1.00 0.00 C ATOM 652 CD1 LEU A 42 3.965 10.905 1.981 1.00 0.00 C ATOM 653 CD2 LEU A 42 5.710 11.937 3.390 1.00 0.00 C ATOM 0 H LEU A 42 1.490 11.177 2.669 1.00 0.00 H new ATOM 0 HA LEU A 42 2.538 9.779 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.975 12.582 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.826 12.070 5.161 1.00 0.00 H new ATOM 0 HG LEU A 42 4.699 10.111 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.754 10.458 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.093 10.251 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.691 11.873 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.471 11.469 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.482 12.929 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.081 12.025 4.411 1.00 0.00 H new ATOM 665 N GLU A 43 1.057 12.502 5.857 1.00 0.00 N ATOM 666 CA GLU A 43 0.494 13.165 7.021 1.00 0.00 C ATOM 667 C GLU A 43 -0.725 12.414 7.561 1.00 0.00 C ATOM 668 O GLU A 43 -0.757 12.041 8.732 1.00 0.00 O ATOM 669 CB GLU A 43 0.113 14.603 6.675 1.00 0.00 C ATOM 670 CG GLU A 43 -0.163 15.462 7.894 1.00 0.00 C ATOM 671 CD GLU A 43 1.050 15.601 8.788 1.00 0.00 C ATOM 672 OE1 GLU A 43 2.030 16.248 8.370 1.00 0.00 O ATOM 673 OE2 GLU A 43 1.020 15.079 9.921 1.00 0.00 O ATOM 0 H GLU A 43 0.980 13.040 4.994 1.00 0.00 H new ATOM 0 HA GLU A 43 1.255 13.171 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.918 15.055 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.772 14.594 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.489 16.451 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.983 15.026 8.464 1.00 0.00 H new ATOM 680 N SER A 44 -1.721 12.181 6.715 1.00 0.00 N ATOM 681 CA SER A 44 -2.943 11.522 7.157 1.00 0.00 C ATOM 682 C SER A 44 -2.636 10.163 7.779 1.00 0.00 C ATOM 683 O SER A 44 -3.154 9.827 8.843 1.00 0.00 O ATOM 684 CB SER A 44 -3.916 11.341 5.989 1.00 0.00 C ATOM 685 OG SER A 44 -4.084 12.547 5.259 1.00 0.00 O ATOM 0 H SER A 44 -1.707 12.436 5.728 1.00 0.00 H new ATOM 0 HA SER A 44 -3.406 12.159 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.546 10.561 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.882 11.006 6.367 1.00 0.00 H new ATOM 0 HG SER A 44 -3.318 12.677 4.661 1.00 0.00 H new ATOM 691 N ILE A 45 -1.755 9.406 7.144 1.00 0.00 N ATOM 692 CA ILE A 45 -1.500 8.036 7.562 1.00 0.00 C ATOM 693 C ILE A 45 -0.652 7.994 8.838 1.00 0.00 C ATOM 694 O ILE A 45 -0.817 7.099 9.669 1.00 0.00 O ATOM 695 CB ILE A 45 -0.827 7.212 6.439 1.00 0.00 C ATOM 696 CG1 ILE A 45 -1.661 7.276 5.157 1.00 0.00 C ATOM 697 CG2 ILE A 45 -0.681 5.766 6.866 1.00 0.00 C ATOM 698 CD1 ILE A 45 -1.027 6.558 3.984 1.00 0.00 C ATOM 0 H ILE A 45 -1.207 9.715 6.341 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.467 7.582 7.777 1.00 0.00 H new ATOM 0 HB ILE A 45 0.159 7.636 6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.642 6.843 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.821 8.320 4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.206 5.197 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.066 5.712 7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.665 5.347 7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.674 6.645 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.058 7.006 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.892 5.505 4.232 1.00 0.00 H new ATOM 710 N ARG A 46 0.239 8.971 9.013 1.00 0.00 N ATOM 711 CA ARG A 46 1.025 9.057 10.245 1.00 0.00 C ATOM 712 C ARG A 46 0.128 9.485 11.405 1.00 0.00 C ATOM 713 O ARG A 46 0.418 9.209 12.568 1.00 0.00 O ATOM 714 CB ARG A 46 2.202 10.036 10.104 1.00 0.00 C ATOM 715 CG ARG A 46 1.776 11.488 9.967 1.00 0.00 C ATOM 716 CD ARG A 46 2.953 12.448 9.988 1.00 0.00 C ATOM 717 NE ARG A 46 3.934 12.163 8.941 1.00 0.00 N ATOM 718 CZ ARG A 46 4.612 13.104 8.284 1.00 0.00 C ATOM 719 NH1 ARG A 46 4.321 14.388 8.466 1.00 0.00 N ATOM 720 NH2 ARG A 46 5.556 12.761 7.414 1.00 0.00 N ATOM 0 H ARG A 46 0.433 9.703 8.330 1.00 0.00 H new ATOM 0 HA ARG A 46 1.438 8.068 10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.851 9.938 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.793 9.756 9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.226 11.615 9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.092 11.740 10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.587 13.468 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.441 12.396 10.961 1.00 0.00 H new ATOM 0 HE ARG A 46 4.109 11.188 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.577 14.656 9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.842 15.105 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.763 11.776 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.074 13.483 6.912 1.00 0.00 H new ATOM 734 N ARG A 47 -0.960 10.177 11.073 1.00 0.00 N ATOM 735 CA ARG A 47 -1.940 10.601 12.062 1.00 0.00 C ATOM 736 C ARG A 47 -2.955 9.504 12.355 1.00 0.00 C ATOM 737 O ARG A 47 -3.715 9.591 13.320 1.00 0.00 O ATOM 738 CB ARG A 47 -2.652 11.855 11.571 1.00 0.00 C ATOM 739 CG ARG A 47 -1.703 13.017 11.355 1.00 0.00 C ATOM 740 CD ARG A 47 -0.732 13.137 12.511 1.00 0.00 C ATOM 741 NE ARG A 47 0.304 14.133 12.269 1.00 0.00 N ATOM 742 CZ ARG A 47 1.098 14.618 13.215 1.00 0.00 C ATOM 743 NH1 ARG A 47 0.971 14.202 14.467 1.00 0.00 N ATOM 744 NH2 ARG A 47 2.023 15.516 12.908 1.00 0.00 N ATOM 0 H ARG A 47 -1.183 10.456 10.118 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.412 10.817 12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.168 11.633 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.414 12.143 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.153 12.876 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.270 13.942 11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.280 13.400 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.265 12.169 12.691 1.00 0.00 H new ATOM 0 HE ARG A 47 0.426 14.477 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.262 13.508 14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.582 14.576 15.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.125 15.834 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.633 15.889 13.635 1.00 0.00 H new ATOM 758 N GLY A 48 -2.968 8.478 11.519 1.00 0.00 N ATOM 759 CA GLY A 48 -3.897 7.381 11.710 1.00 0.00 C ATOM 760 C GLY A 48 -5.195 7.595 10.962 1.00 0.00 C ATOM 761 O GLY A 48 -6.180 6.887 11.186 1.00 0.00 O ATOM 0 H GLY A 48 -2.353 8.384 10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.435 6.453 11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.107 7.266 12.773 1.00 0.00 H new ATOM 765 N GLU A 49 -5.198 8.577 10.074 1.00 0.00 N ATOM 766 CA GLU A 49 -6.362 8.864 9.258 1.00 0.00 C ATOM 767 C GLU A 49 -6.292 8.079 7.960 1.00 0.00 C ATOM 768 O GLU A 49 -5.244 7.535 7.608 1.00 0.00 O ATOM 769 CB GLU A 49 -6.448 10.354 8.953 1.00 0.00 C ATOM 770 CG GLU A 49 -6.552 11.228 10.193 1.00 0.00 C ATOM 771 CD GLU A 49 -6.628 12.702 9.860 1.00 0.00 C ATOM 772 OE1 GLU A 49 -7.721 13.175 9.480 1.00 0.00 O ATOM 773 OE2 GLU A 49 -5.599 13.396 9.967 1.00 0.00 O ATOM 0 H GLU A 49 -4.401 9.190 9.901 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.253 8.568 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.567 10.650 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.315 10.536 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.437 10.942 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.689 11.048 10.834 1.00 0.00 H new ATOM 780 N VAL A 50 -7.401 8.032 7.245 1.00 0.00 N ATOM 781 CA VAL A 50 -7.466 7.267 6.013 1.00 0.00 C ATOM 782 C VAL A 50 -7.663 8.183 4.814 1.00 0.00 C ATOM 783 O VAL A 50 -8.676 8.884 4.714 1.00 0.00 O ATOM 784 CB VAL A 50 -8.601 6.223 6.040 1.00 0.00 C ATOM 785 CG1 VAL A 50 -8.603 5.417 4.751 1.00 0.00 C ATOM 786 CG2 VAL A 50 -8.465 5.303 7.246 1.00 0.00 C ATOM 0 H VAL A 50 -8.266 8.512 7.494 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.515 6.743 5.922 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.551 6.750 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.409 4.683 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.754 6.086 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.648 4.903 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.277 4.576 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.510 4.780 7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.511 5.893 8.161 1.00 0.00 H new ATOM 796 N PRO A 51 -6.688 8.192 3.893 1.00 0.00 N ATOM 797 CA PRO A 51 -6.776 8.972 2.655 1.00 0.00 C ATOM 798 C PRO A 51 -7.914 8.485 1.751 1.00 0.00 C ATOM 799 O PRO A 51 -8.178 7.281 1.653 1.00 0.00 O ATOM 800 CB PRO A 51 -5.419 8.741 1.978 1.00 0.00 C ATOM 801 CG PRO A 51 -4.531 8.161 3.018 1.00 0.00 C ATOM 802 CD PRO A 51 -5.419 7.447 3.992 1.00 0.00 C ATOM 0 HA PRO A 51 -6.988 10.023 2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.518 8.065 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.011 9.676 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.812 7.473 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.958 8.942 3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.546 6.397 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.013 7.474 5.003 1.00 0.00 H new ATOM 810 N ALA A 52 -8.566 9.431 1.073 1.00 0.00 N ATOM 811 CA ALA A 52 -9.746 9.144 0.262 1.00 0.00 C ATOM 812 C ALA A 52 -9.391 8.347 -0.985 1.00 0.00 C ATOM 813 O ALA A 52 -10.264 7.800 -1.650 1.00 0.00 O ATOM 814 CB ALA A 52 -10.449 10.438 -0.124 1.00 0.00 C ATOM 0 H ALA A 52 -8.291 10.413 1.072 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.421 8.535 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.327 10.209 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.757 10.968 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.767 11.065 -0.698 1.00 0.00 H new ATOM 820 N GLU A 53 -8.110 8.296 -1.302 1.00 0.00 N ATOM 821 CA GLU A 53 -7.626 7.536 -2.445 1.00 0.00 C ATOM 822 C GLU A 53 -7.921 6.056 -2.266 1.00 0.00 C ATOM 823 O GLU A 53 -8.416 5.396 -3.176 1.00 0.00 O ATOM 824 CB GLU A 53 -6.120 7.748 -2.613 1.00 0.00 C ATOM 825 CG GLU A 53 -5.738 9.128 -3.131 1.00 0.00 C ATOM 826 CD GLU A 53 -6.318 10.256 -2.299 1.00 0.00 C ATOM 827 OE1 GLU A 53 -6.102 10.259 -1.067 1.00 0.00 O ATOM 828 OE2 GLU A 53 -7.000 11.132 -2.871 1.00 0.00 O ATOM 0 H GLU A 53 -7.378 8.777 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.141 7.889 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.632 7.585 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.733 6.995 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.652 9.216 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.080 9.231 -4.161 1.00 0.00 H new ATOM 835 N LEU A 54 -7.605 5.545 -1.086 1.00 0.00 N ATOM 836 CA LEU A 54 -7.810 4.145 -0.778 1.00 0.00 C ATOM 837 C LEU A 54 -9.202 3.931 -0.208 1.00 0.00 C ATOM 838 O LEU A 54 -9.876 2.956 -0.529 1.00 0.00 O ATOM 839 CB LEU A 54 -6.741 3.623 0.192 1.00 0.00 C ATOM 840 CG LEU A 54 -6.187 4.626 1.202 1.00 0.00 C ATOM 841 CD1 LEU A 54 -5.631 3.865 2.382 1.00 0.00 C ATOM 842 CD2 LEU A 54 -5.084 5.476 0.577 1.00 0.00 C ATOM 0 H LEU A 54 -7.202 6.088 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.719 3.578 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.162 2.782 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.908 3.235 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.989 5.291 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.231 4.568 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.425 3.276 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.835 3.201 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.706 6.182 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.272 4.830 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.486 6.023 -0.276 1.00 0.00 H new ATOM 854 N ARG A 55 -9.625 4.859 0.639 1.00 0.00 N ATOM 855 CA ARG A 55 -10.935 4.783 1.262 1.00 0.00 C ATOM 856 C ARG A 55 -12.038 4.818 0.212 1.00 0.00 C ATOM 857 O ARG A 55 -12.850 3.898 0.126 1.00 0.00 O ATOM 858 CB ARG A 55 -11.093 5.940 2.252 1.00 0.00 C ATOM 859 CG ARG A 55 -12.533 6.265 2.579 1.00 0.00 C ATOM 860 CD ARG A 55 -13.218 5.098 3.262 1.00 0.00 C ATOM 861 NE ARG A 55 -14.664 5.292 3.352 1.00 0.00 N ATOM 862 CZ ARG A 55 -15.420 4.847 4.355 1.00 0.00 C ATOM 863 NH1 ARG A 55 -14.867 4.211 5.380 1.00 0.00 N ATOM 864 NH2 ARG A 55 -16.732 5.042 4.330 1.00 0.00 N ATOM 0 H ARG A 55 -9.076 5.675 0.910 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.020 3.838 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.567 5.693 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.614 6.828 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.573 7.142 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.068 6.519 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.008 4.181 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.806 4.970 4.263 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.124 5.801 2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.858 4.061 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.451 3.873 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.160 5.532 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.313 4.702 5.097 1.00 0.00 H new ATOM 878 N ARG A 56 -12.055 5.866 -0.592 1.00 0.00 N ATOM 879 CA ARG A 56 -12.966 5.941 -1.717 1.00 0.00 C ATOM 880 C ARG A 56 -12.394 5.152 -2.897 1.00 0.00 C ATOM 881 O ARG A 56 -12.307 5.642 -4.023 1.00 0.00 O ATOM 882 CB ARG A 56 -13.244 7.403 -2.093 1.00 0.00 C ATOM 883 CG ARG A 56 -14.346 7.596 -3.133 1.00 0.00 C ATOM 884 CD ARG A 56 -15.618 6.837 -2.772 1.00 0.00 C ATOM 885 NE ARG A 56 -15.575 5.445 -3.226 1.00 0.00 N ATOM 886 CZ ARG A 56 -16.182 4.433 -2.606 1.00 0.00 C ATOM 887 NH1 ARG A 56 -16.831 4.634 -1.465 1.00 0.00 N ATOM 888 NH2 ARG A 56 -16.125 3.215 -3.126 1.00 0.00 N ATOM 0 H ARG A 56 -11.447 6.678 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.920 5.493 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.515 7.951 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.324 7.848 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.573 8.658 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.988 7.260 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.760 6.862 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.477 7.337 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.046 5.236 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.868 5.568 -1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.293 3.854 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.618 3.055 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.588 2.437 -2.655 1.00 0.00 H new ATOM 902 N LEU A 57 -11.951 3.946 -2.589 1.00 0.00 N ATOM 903 CA LEU A 57 -11.592 2.956 -3.584 1.00 0.00 C ATOM 904 C LEU A 57 -12.298 1.658 -3.237 1.00 0.00 C ATOM 905 O LEU A 57 -12.960 1.047 -4.078 1.00 0.00 O ATOM 906 CB LEU A 57 -10.085 2.743 -3.612 1.00 0.00 C ATOM 907 CG LEU A 57 -9.598 1.696 -4.611 1.00 0.00 C ATOM 908 CD1 LEU A 57 -10.103 2.005 -6.011 1.00 0.00 C ATOM 909 CD2 LEU A 57 -8.089 1.636 -4.599 1.00 0.00 C ATOM 0 H LEU A 57 -11.830 3.625 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.897 3.300 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.603 3.694 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.756 2.452 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.996 0.725 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.742 1.245 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.193 2.009 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.736 2.983 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.749 0.887 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.684 2.610 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.743 1.368 -3.601 1.00 0.00 H new ATOM 921 N ALA A 58 -12.129 1.241 -1.987 1.00 0.00 N ATOM 922 CA ALA A 58 -12.875 0.104 -1.443 1.00 0.00 C ATOM 923 C ALA A 58 -14.379 0.314 -1.521 1.00 0.00 C ATOM 924 O ALA A 58 -14.892 1.390 -1.216 1.00 0.00 O ATOM 925 CB ALA A 58 -12.511 -0.162 0.002 1.00 0.00 C ATOM 0 H ALA A 58 -11.481 1.672 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.598 -0.751 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.084 -1.012 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.446 -0.384 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.740 0.718 0.603 1.00 0.00 H new ATOM 931 N HIS A 59 -15.081 -0.738 -1.902 1.00 0.00 N ATOM 932 CA HIS A 59 -16.537 -0.733 -1.900 1.00 0.00 C ATOM 933 C HIS A 59 -17.049 -1.405 -0.636 1.00 0.00 C ATOM 934 O HIS A 59 -17.449 -2.570 -0.650 1.00 0.00 O ATOM 935 CB HIS A 59 -17.090 -1.435 -3.148 1.00 0.00 C ATOM 936 CG HIS A 59 -16.813 -0.689 -4.419 1.00 0.00 C ATOM 937 ND1 HIS A 59 -17.804 -0.197 -5.241 1.00 0.00 N ATOM 938 CD2 HIS A 59 -15.642 -0.342 -5.001 1.00 0.00 C ATOM 939 CE1 HIS A 59 -17.254 0.420 -6.270 1.00 0.00 C ATOM 940 NE2 HIS A 59 -15.945 0.346 -6.147 1.00 0.00 N ATOM 0 H HIS A 59 -14.665 -1.614 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.884 0.300 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.656 -2.432 -3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.167 -1.563 -3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.652 -0.566 -4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.787 0.903 -7.076 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.266 0.738 -6.800 1.00 0.00 H new ATOM 949 N GLY A 60 -17.014 -0.668 0.464 1.00 0.00 N ATOM 950 CA GLY A 60 -17.409 -1.222 1.742 1.00 0.00 C ATOM 951 C GLY A 60 -16.975 -0.349 2.900 1.00 0.00 C ATOM 952 O GLY A 60 -17.655 -0.281 3.923 1.00 0.00 O ATOM 0 H GLY A 60 -16.718 0.308 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.492 -1.342 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.976 -2.216 1.855 1.00 0.00 H new ATOM 956 N GLY A 61 -15.829 0.302 2.745 1.00 0.00 N ATOM 957 CA GLY A 61 -15.371 1.250 3.743 1.00 0.00 C ATOM 958 C GLY A 61 -14.278 0.706 4.629 1.00 0.00 C ATOM 959 O GLY A 61 -13.600 1.461 5.327 1.00 0.00 O ATOM 0 H GLY A 61 -15.207 0.190 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.009 2.148 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.216 1.550 4.363 1.00 0.00 H new ATOM 963 N GLN A 62 -14.105 -0.597 4.601 1.00 0.00 N ATOM 964 CA GLN A 62 -13.067 -1.244 5.373 1.00 0.00 C ATOM 965 C GLN A 62 -11.698 -0.946 4.767 1.00 0.00 C ATOM 966 O GLN A 62 -11.487 -1.147 3.571 1.00 0.00 O ATOM 967 CB GLN A 62 -13.352 -2.737 5.402 1.00 0.00 C ATOM 968 CG GLN A 62 -12.237 -3.579 5.999 1.00 0.00 C ATOM 969 CD GLN A 62 -12.671 -5.006 6.293 1.00 0.00 C ATOM 970 OE1 GLN A 62 -11.878 -5.941 6.203 1.00 0.00 O ATOM 971 NE2 GLN A 62 -13.926 -5.181 6.672 1.00 0.00 N ATOM 0 H GLN A 62 -14.676 -1.235 4.046 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.058 -0.864 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.265 -2.909 5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.543 -3.078 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.392 -3.595 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.889 -3.113 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.556 -4.381 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.264 -6.116 6.901 1.00 0.00 H new ATOM 980 N VAL A 63 -10.789 -0.429 5.590 1.00 0.00 N ATOM 981 CA VAL A 63 -9.464 -0.035 5.125 1.00 0.00 C ATOM 982 C VAL A 63 -8.377 -0.599 6.034 1.00 0.00 C ATOM 983 O VAL A 63 -8.199 -0.140 7.165 1.00 0.00 O ATOM 984 CB VAL A 63 -9.308 1.501 5.077 1.00 0.00 C ATOM 985 CG1 VAL A 63 -7.960 1.880 4.486 1.00 0.00 C ATOM 986 CG2 VAL A 63 -10.441 2.144 4.290 1.00 0.00 C ATOM 0 H VAL A 63 -10.948 -0.273 6.585 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.356 -0.439 4.118 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.356 1.878 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.867 2.966 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.163 1.462 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.883 1.484 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.305 3.225 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.437 1.762 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.394 1.906 4.763 1.00 0.00 H new ATOM 996 N ASN A 64 -7.664 -1.601 5.552 1.00 0.00 N ATOM 997 CA ASN A 64 -6.557 -2.179 6.297 1.00 0.00 C ATOM 998 C ASN A 64 -5.241 -1.935 5.570 1.00 0.00 C ATOM 999 O ASN A 64 -4.975 -2.544 4.537 1.00 0.00 O ATOM 1000 CB ASN A 64 -6.781 -3.673 6.473 1.00 0.00 C ATOM 1001 CG ASN A 64 -5.722 -4.341 7.334 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -5.401 -5.510 7.133 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -5.178 -3.617 8.303 1.00 0.00 N ATOM 0 H ASN A 64 -7.832 -2.034 4.644 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.507 -1.703 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.761 -3.836 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.796 -4.149 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.469 -4.028 8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.469 -2.649 8.441 1.00 0.00 H new ATOM 1010 N LEU A 65 -4.424 -1.046 6.112 1.00 0.00 N ATOM 1011 CA LEU A 65 -3.160 -0.678 5.486 1.00 0.00 C ATOM 1012 C LEU A 65 -1.976 -1.285 6.237 1.00 0.00 C ATOM 1013 O LEU A 65 -1.888 -1.190 7.462 1.00 0.00 O ATOM 1014 CB LEU A 65 -3.027 0.852 5.420 1.00 0.00 C ATOM 1015 CG LEU A 65 -1.611 1.387 5.233 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -1.431 1.900 3.819 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.323 2.483 6.244 1.00 0.00 C ATOM 0 H LEU A 65 -4.614 -0.562 6.990 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.153 -1.077 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.644 1.217 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.436 1.273 6.338 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.902 0.576 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.417 2.280 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.602 1.088 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.144 2.702 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.309 2.855 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.032 3.299 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.421 2.082 7.253 1.00 0.00 H new ATOM 1029 N ASP A 66 -1.077 -1.907 5.486 1.00 0.00 N ATOM 1030 CA ASP A 66 0.135 -2.505 6.039 1.00 0.00 C ATOM 1031 C ASP A 66 1.353 -1.819 5.440 1.00 0.00 C ATOM 1032 O ASP A 66 1.334 -1.447 4.272 1.00 0.00 O ATOM 1033 CB ASP A 66 0.192 -4.008 5.737 1.00 0.00 C ATOM 1034 CG ASP A 66 -0.748 -4.826 6.602 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -0.398 -5.093 7.772 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -1.826 -5.234 6.114 1.00 0.00 O ATOM 0 H ASP A 66 -1.166 -2.012 4.475 1.00 0.00 H new ATOM 0 HA ASP A 66 0.126 -2.372 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.055 -4.171 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.212 -4.363 5.883 1.00 0.00 H new ATOM 1041 N MET A 67 2.404 -1.645 6.231 1.00 0.00 N ATOM 1042 CA MET A 67 3.604 -0.960 5.753 1.00 0.00 C ATOM 1043 C MET A 67 4.772 -1.925 5.569 1.00 0.00 C ATOM 1044 O MET A 67 5.047 -2.759 6.433 1.00 0.00 O ATOM 1045 CB MET A 67 4.022 0.162 6.708 1.00 0.00 C ATOM 1046 CG MET A 67 3.095 1.368 6.693 1.00 0.00 C ATOM 1047 SD MET A 67 3.716 2.730 7.703 1.00 0.00 S ATOM 1048 CE MET A 67 2.414 3.941 7.483 1.00 0.00 C ATOM 0 H MET A 67 2.453 -1.965 7.198 1.00 0.00 H new ATOM 0 HA MET A 67 3.350 -0.530 4.784 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.066 -0.236 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.029 0.488 6.449 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.966 1.711 5.666 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.111 1.070 7.055 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.827 4.944 7.593 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.982 3.834 6.488 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.640 3.783 8.234 1.00 0.00 H new ATOM 1058 N GLU A 68 5.446 -1.795 4.434 1.00 0.00 N ATOM 1059 CA GLU A 68 6.652 -2.561 4.138 1.00 0.00 C ATOM 1060 C GLU A 68 7.842 -1.631 3.945 1.00 0.00 C ATOM 1061 O GLU A 68 7.677 -0.473 3.560 1.00 0.00 O ATOM 1062 CB GLU A 68 6.484 -3.369 2.857 1.00 0.00 C ATOM 1063 CG GLU A 68 5.514 -4.525 2.947 1.00 0.00 C ATOM 1064 CD GLU A 68 5.413 -5.245 1.625 1.00 0.00 C ATOM 1065 OE1 GLU A 68 6.462 -5.664 1.090 1.00 0.00 O ATOM 1066 OE2 GLU A 68 4.304 -5.354 1.078 1.00 0.00 O ATOM 0 H GLU A 68 5.172 -1.154 3.690 1.00 0.00 H new ATOM 0 HA GLU A 68 6.823 -3.229 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.152 -2.698 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.459 -3.756 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.841 -5.220 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.531 -4.158 3.242 1.00 0.00 H new ATOM 1073 N ASP A 69 9.036 -2.151 4.166 1.00 0.00 N ATOM 1074 CA ASP A 69 10.259 -1.387 3.958 1.00 0.00 C ATOM 1075 C ASP A 69 11.078 -2.020 2.835 1.00 0.00 C ATOM 1076 O ASP A 69 11.506 -3.169 2.937 1.00 0.00 O ATOM 1077 CB ASP A 69 11.078 -1.343 5.251 1.00 0.00 C ATOM 1078 CG ASP A 69 12.329 -0.489 5.142 1.00 0.00 C ATOM 1079 OD1 ASP A 69 13.319 -0.946 4.538 1.00 0.00 O ATOM 1080 OD2 ASP A 69 12.339 0.631 5.693 1.00 0.00 O ATOM 0 H ASP A 69 9.188 -3.106 4.492 1.00 0.00 H new ATOM 0 HA ASP A 69 9.999 -0.367 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.452 -0.957 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.363 -2.358 5.527 1.00 0.00 H new ATOM 1085 N HIS A 70 11.261 -1.284 1.747 1.00 0.00 N ATOM 1086 CA HIS A 70 12.050 -1.772 0.616 1.00 0.00 C ATOM 1087 C HIS A 70 13.096 -0.736 0.231 1.00 0.00 C ATOM 1088 O HIS A 70 14.284 -1.031 0.150 1.00 0.00 O ATOM 1089 CB HIS A 70 11.156 -2.077 -0.595 1.00 0.00 C ATOM 1090 CG HIS A 70 10.210 -3.231 -0.403 1.00 0.00 C ATOM 1091 ND1 HIS A 70 10.471 -4.507 -0.854 1.00 0.00 N ATOM 1092 CD2 HIS A 70 8.981 -3.287 0.164 1.00 0.00 C ATOM 1093 CE1 HIS A 70 9.455 -5.294 -0.570 1.00 0.00 C ATOM 1094 NE2 HIS A 70 8.535 -4.582 0.050 1.00 0.00 N ATOM 0 H HIS A 70 10.876 -0.348 1.620 1.00 0.00 H new ATOM 0 HA HIS A 70 12.542 -2.696 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.576 -1.186 -0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.792 -2.285 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.450 -2.465 0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.387 -6.346 -0.805 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.640 -4.934 0.389 1.00 0.00 H new ATOM 1103 N ARG A 71 12.611 0.479 -0.003 1.00 0.00 N ATOM 1104 CA ARG A 71 13.431 1.656 -0.283 1.00 0.00 C ATOM 1105 C ARG A 71 14.443 1.455 -1.407 1.00 0.00 C ATOM 1106 O ARG A 71 14.142 1.761 -2.562 1.00 0.00 O ATOM 1107 CB ARG A 71 14.076 2.169 1.005 1.00 0.00 C ATOM 1108 CG ARG A 71 13.039 2.778 1.936 1.00 0.00 C ATOM 1109 CD ARG A 71 13.633 3.316 3.223 1.00 0.00 C ATOM 1110 NE ARG A 71 14.677 4.312 2.991 1.00 0.00 N ATOM 1111 CZ ARG A 71 15.128 5.140 3.932 1.00 0.00 C ATOM 1112 NH1 ARG A 71 14.639 5.082 5.163 1.00 0.00 N ATOM 1113 NH2 ARG A 71 16.076 6.020 3.649 1.00 0.00 N ATOM 0 H ARG A 71 11.611 0.679 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 71 12.760 2.426 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.586 1.349 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.834 2.914 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.523 3.586 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.289 2.024 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.841 3.760 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.047 2.489 3.800 1.00 0.00 H new ATOM 0 HE ARG A 71 15.083 4.377 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.915 4.401 5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.987 5.718 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.464 6.066 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.418 6.652 4.373 1.00 0.00 H new ATOM 1127 N ASP A 72 15.617 0.927 -1.092 1.00 0.00 N ATOM 1128 CA ASP A 72 16.683 0.786 -2.083 1.00 0.00 C ATOM 1129 C ASP A 72 16.366 -0.315 -3.092 1.00 0.00 C ATOM 1130 O ASP A 72 17.134 -0.564 -4.019 1.00 0.00 O ATOM 1131 CB ASP A 72 18.021 0.515 -1.397 1.00 0.00 C ATOM 1132 CG ASP A 72 18.531 1.728 -0.642 1.00 0.00 C ATOM 1133 OD1 ASP A 72 19.095 2.641 -1.283 1.00 0.00 O ATOM 1134 OD2 ASP A 72 18.366 1.784 0.592 1.00 0.00 O ATOM 0 H ASP A 72 15.859 0.589 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 72 16.754 1.727 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.911 -0.321 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.757 0.217 -2.144 1.00 0.00 H new ATOM 1139 N GLU A 73 15.227 -0.964 -2.901 1.00 0.00 N ATOM 1140 CA GLU A 73 14.725 -1.958 -3.837 1.00 0.00 C ATOM 1141 C GLU A 73 14.065 -1.301 -5.050 1.00 0.00 C ATOM 1142 O GLU A 73 13.916 -1.926 -6.103 1.00 0.00 O ATOM 1143 CB GLU A 73 13.715 -2.854 -3.124 1.00 0.00 C ATOM 1144 CG GLU A 73 14.331 -4.082 -2.476 1.00 0.00 C ATOM 1145 CD GLU A 73 13.335 -4.851 -1.638 1.00 0.00 C ATOM 1146 OE1 GLU A 73 12.485 -5.563 -2.212 1.00 0.00 O ATOM 1147 OE2 GLU A 73 13.372 -4.728 -0.398 1.00 0.00 O ATOM 0 H GLU A 73 14.624 -0.816 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 73 15.567 -2.550 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.203 -2.270 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.959 -3.174 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.732 -4.736 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.170 -3.777 -1.850 1.00 0.00 H new ATOM 1154 N ASP A 74 13.693 -0.030 -4.883 1.00 0.00 N ATOM 1155 CA ASP A 74 12.913 0.726 -5.872 1.00 0.00 C ATOM 1156 C ASP A 74 11.525 0.106 -6.034 1.00 0.00 C ATOM 1157 O ASP A 74 11.235 -0.932 -5.453 1.00 0.00 O ATOM 1158 CB ASP A 74 13.611 0.798 -7.231 1.00 0.00 C ATOM 1159 CG ASP A 74 13.156 1.987 -8.054 1.00 0.00 C ATOM 1160 OD1 ASP A 74 13.749 3.078 -7.924 1.00 0.00 O ATOM 1161 OD2 ASP A 74 12.200 1.836 -8.843 1.00 0.00 O ATOM 0 H ASP A 74 13.926 0.511 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 74 12.820 1.745 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.689 0.856 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.416 -0.120 -7.785 1.00 0.00 H new ATOM 1166 N PHE A 75 10.699 0.708 -6.869 1.00 0.00 N ATOM 1167 CA PHE A 75 9.268 0.410 -6.877 1.00 0.00 C ATOM 1168 C PHE A 75 8.940 -0.881 -7.612 1.00 0.00 C ATOM 1169 O PHE A 75 9.497 -1.178 -8.670 1.00 0.00 O ATOM 1170 CB PHE A 75 8.475 1.572 -7.481 1.00 0.00 C ATOM 1171 CG PHE A 75 7.023 1.257 -7.748 1.00 0.00 C ATOM 1172 CD1 PHE A 75 6.126 1.086 -6.704 1.00 0.00 C ATOM 1173 CD2 PHE A 75 6.557 1.137 -9.046 1.00 0.00 C ATOM 1174 CE1 PHE A 75 4.797 0.803 -6.948 1.00 0.00 C ATOM 1175 CE2 PHE A 75 5.229 0.855 -9.295 1.00 0.00 C ATOM 1176 CZ PHE A 75 4.349 0.689 -8.247 1.00 0.00 C ATOM 0 H PHE A 75 10.989 1.407 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 75 8.975 0.274 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.532 2.426 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.948 1.873 -8.416 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.472 1.176 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.240 1.265 -9.873 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.111 0.671 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.879 0.764 -10.313 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.310 0.470 -8.443 1.00 0.00 H new ATOM 1186 N VAL A 76 8.010 -1.629 -7.028 1.00 0.00 N ATOM 1187 CA VAL A 76 7.514 -2.862 -7.606 1.00 0.00 C ATOM 1188 C VAL A 76 6.312 -3.372 -6.803 1.00 0.00 C ATOM 1189 O VAL A 76 6.446 -3.758 -5.639 1.00 0.00 O ATOM 1190 CB VAL A 76 8.629 -3.937 -7.671 1.00 0.00 C ATOM 1191 CG1 VAL A 76 9.243 -4.202 -6.299 1.00 0.00 C ATOM 1192 CG2 VAL A 76 8.106 -5.226 -8.288 1.00 0.00 C ATOM 0 H VAL A 76 7.580 -1.391 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 76 7.192 -2.659 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 76 9.419 -3.546 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.020 -4.961 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.679 -3.281 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.470 -4.553 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.907 -5.964 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.284 -5.611 -7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.752 -5.028 -9.300 1.00 0.00 H new ATOM 1202 N LYS A 77 5.120 -3.320 -7.399 1.00 0.00 N ATOM 1203 CA LYS A 77 3.942 -3.873 -6.745 1.00 0.00 C ATOM 1204 C LYS A 77 2.781 -4.137 -7.734 1.00 0.00 C ATOM 1205 O LYS A 77 2.690 -5.247 -8.253 1.00 0.00 O ATOM 1206 CB LYS A 77 3.531 -3.019 -5.544 1.00 0.00 C ATOM 1207 CG LYS A 77 2.394 -3.606 -4.729 1.00 0.00 C ATOM 1208 CD LYS A 77 1.632 -2.509 -4.023 1.00 0.00 C ATOM 1209 CE LYS A 77 2.580 -1.549 -3.337 1.00 0.00 C ATOM 1210 NZ LYS A 77 1.868 -0.386 -2.781 1.00 0.00 N ATOM 0 H LYS A 77 4.949 -2.908 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 77 4.211 -4.856 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.396 -2.882 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.238 -2.030 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.721 -4.164 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.788 -4.312 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.017 -1.968 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.955 -2.945 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.109 -2.068 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.332 -1.209 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.557 0.290 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.315 0.074 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.228 -0.700 -2.024 1.00 0.00 H new ATOM 1224 N PRO A 78 1.897 -3.148 -8.052 1.00 0.00 N ATOM 1225 CA PRO A 78 0.777 -3.359 -8.981 1.00 0.00 C ATOM 1226 C PRO A 78 1.261 -3.671 -10.388 1.00 0.00 C ATOM 1227 O PRO A 78 0.513 -4.167 -11.231 1.00 0.00 O ATOM 1228 CB PRO A 78 0.017 -2.036 -8.952 1.00 0.00 C ATOM 1229 CG PRO A 78 1.022 -1.048 -8.514 1.00 0.00 C ATOM 1230 CD PRO A 78 1.905 -1.778 -7.552 1.00 0.00 C ATOM 0 HA PRO A 78 0.162 -4.210 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.385 -1.786 -9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.827 -2.077 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.594 -0.667 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.548 -0.190 -8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.912 -1.362 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.522 -1.721 -6.533 1.00 0.00 H new ATOM 1238 N LYS A 79 2.528 -3.370 -10.624 1.00 0.00 N ATOM 1239 CA LYS A 79 3.174 -3.689 -11.882 1.00 0.00 C ATOM 1240 C LYS A 79 3.284 -5.204 -12.016 1.00 0.00 C ATOM 1241 O LYS A 79 2.986 -5.775 -13.063 1.00 0.00 O ATOM 1242 CB LYS A 79 4.568 -3.059 -11.926 1.00 0.00 C ATOM 1243 CG LYS A 79 4.620 -1.635 -11.384 1.00 0.00 C ATOM 1244 CD LYS A 79 3.783 -0.663 -12.208 1.00 0.00 C ATOM 1245 CE LYS A 79 4.472 -0.286 -13.510 1.00 0.00 C ATOM 1246 NZ LYS A 79 3.751 0.803 -14.223 1.00 0.00 N ATOM 0 H LYS A 79 3.133 -2.900 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 79 2.583 -3.291 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.255 -3.681 -11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.923 -3.058 -12.956 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.266 -1.630 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.655 -1.294 -11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.814 -1.113 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.592 0.237 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.494 0.031 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.535 -1.163 -14.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.368 1.205 -14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.891 0.419 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.489 1.547 -13.546 1.00 0.00 H new ATOM 1260 N GLY A 80 3.690 -5.844 -10.926 1.00 0.00 N ATOM 1261 CA GLY A 80 3.813 -7.285 -10.900 1.00 0.00 C ATOM 1262 C GLY A 80 2.583 -7.943 -10.307 1.00 0.00 C ATOM 1263 O GLY A 80 2.627 -8.466 -9.189 1.00 0.00 O ATOM 0 H GLY A 80 3.938 -5.382 -10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.971 -7.655 -11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.691 -7.565 -10.318 1.00 0.00 H new ATOM 1267 N ALA A 81 1.482 -7.882 -11.058 1.00 0.00 N ATOM 1268 CA ALA A 81 0.212 -8.505 -10.681 1.00 0.00 C ATOM 1269 C ALA A 81 -0.458 -7.789 -9.506 1.00 0.00 C ATOM 1270 O ALA A 81 -1.373 -6.988 -9.703 1.00 0.00 O ATOM 1271 CB ALA A 81 0.390 -9.992 -10.385 1.00 0.00 C ATOM 0 H ALA A 81 1.446 -7.394 -11.953 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.453 -8.407 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.571 -10.425 -10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.773 -10.496 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.095 -10.118 -9.563 1.00 0.00 H new ATOM 1277 N PHE A 82 0.003 -8.062 -8.290 1.00 0.00 N ATOM 1278 CA PHE A 82 -0.647 -7.524 -7.098 1.00 0.00 C ATOM 1279 C PHE A 82 0.359 -7.004 -6.075 1.00 0.00 C ATOM 1280 O PHE A 82 0.661 -5.815 -6.047 1.00 0.00 O ATOM 1281 CB PHE A 82 -1.549 -8.580 -6.451 1.00 0.00 C ATOM 1282 CG PHE A 82 -2.815 -8.844 -7.215 1.00 0.00 C ATOM 1283 CD1 PHE A 82 -3.922 -8.028 -7.044 1.00 0.00 C ATOM 1284 CD2 PHE A 82 -2.903 -9.911 -8.095 1.00 0.00 C ATOM 1285 CE1 PHE A 82 -5.088 -8.264 -7.745 1.00 0.00 C ATOM 1286 CE2 PHE A 82 -4.067 -10.151 -8.799 1.00 0.00 C ATOM 1287 CZ PHE A 82 -5.162 -9.330 -8.620 1.00 0.00 C ATOM 0 H PHE A 82 0.817 -8.647 -8.103 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.254 -6.679 -7.424 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.992 -9.512 -6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.805 -8.257 -5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.872 -7.198 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.052 -10.562 -8.232 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.941 -7.616 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.120 -10.980 -9.489 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.076 -9.521 -9.164 1.00 0.00 H new ATOM 1297 N LYS A 83 0.875 -7.896 -5.234 1.00 0.00 N ATOM 1298 CA LYS A 83 1.754 -7.484 -4.143 1.00 0.00 C ATOM 1299 C LYS A 83 3.222 -7.584 -4.541 1.00 0.00 C ATOM 1300 O LYS A 83 4.101 -7.115 -3.811 1.00 0.00 O ATOM 1301 CB LYS A 83 1.501 -8.337 -2.895 1.00 0.00 C ATOM 1302 CG LYS A 83 1.816 -9.811 -3.095 1.00 0.00 C ATOM 1303 CD LYS A 83 1.643 -10.605 -1.810 1.00 0.00 C ATOM 1304 CE LYS A 83 1.985 -12.072 -2.019 1.00 0.00 C ATOM 1305 NZ LYS A 83 3.410 -12.267 -2.399 1.00 0.00 N ATOM 0 H LYS A 83 0.702 -8.900 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 83 1.528 -6.441 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.105 -7.953 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.457 -8.233 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.163 -10.221 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.840 -9.918 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.282 -10.187 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.615 -10.515 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.775 -12.626 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.343 -12.486 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.464 -12.602 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.919 -11.364 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.844 -12.971 -1.768 1.00 0.00 H new ATOM 1319 N ALA A 84 3.468 -8.196 -5.699 1.00 0.00 N ATOM 1320 CA ALA A 84 4.821 -8.433 -6.199 1.00 0.00 C ATOM 1321 C ALA A 84 5.621 -9.320 -5.243 1.00 0.00 C ATOM 1322 O ALA A 84 5.060 -9.929 -4.324 1.00 0.00 O ATOM 1323 CB ALA A 84 5.545 -7.114 -6.444 1.00 0.00 C ATOM 0 H ALA A 84 2.734 -8.542 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 84 4.736 -8.960 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.550 -7.314 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.995 -6.529 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.608 -6.555 -5.511 1.00 0.00 H new ATOM 1329 N PHE A 85 6.925 -9.406 -5.482 1.00 0.00 N ATOM 1330 CA PHE A 85 7.818 -10.214 -4.661 1.00 0.00 C ATOM 1331 C PHE A 85 9.271 -9.855 -4.962 1.00 0.00 C ATOM 1332 O PHE A 85 9.630 -9.604 -6.115 1.00 0.00 O ATOM 1333 CB PHE A 85 7.576 -11.713 -4.914 1.00 0.00 C ATOM 1334 CG PHE A 85 7.779 -12.145 -6.346 1.00 0.00 C ATOM 1335 CD1 PHE A 85 6.756 -12.020 -7.274 1.00 0.00 C ATOM 1336 CD2 PHE A 85 8.988 -12.684 -6.760 1.00 0.00 C ATOM 1337 CE1 PHE A 85 6.938 -12.418 -8.585 1.00 0.00 C ATOM 1338 CE2 PHE A 85 9.174 -13.082 -8.070 1.00 0.00 C ATOM 1339 CZ PHE A 85 8.148 -12.950 -8.983 1.00 0.00 C ATOM 0 H PHE A 85 7.391 -8.919 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 85 7.612 -10.005 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.245 -12.289 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.558 -11.960 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.806 -11.607 -6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.794 -12.794 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.134 -12.313 -9.298 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.122 -13.496 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.291 -13.262 -10.007 1.00 0.00 H new ATOM 1349 N THR A 86 10.091 -9.799 -3.917 1.00 0.00 N ATOM 1350 CA THR A 86 11.514 -9.537 -4.073 1.00 0.00 C ATOM 1351 C THR A 86 12.242 -10.791 -4.566 1.00 0.00 C ATOM 1352 O THR A 86 13.308 -10.708 -5.179 1.00 0.00 O ATOM 1353 CB THR A 86 12.134 -9.064 -2.741 1.00 0.00 C ATOM 1354 OG1 THR A 86 11.362 -7.981 -2.200 1.00 0.00 O ATOM 1355 CG2 THR A 86 13.574 -8.611 -2.931 1.00 0.00 C ATOM 0 H THR A 86 9.791 -9.932 -2.951 1.00 0.00 H new ATOM 0 HA THR A 86 11.629 -8.746 -4.814 1.00 0.00 H new ATOM 0 HB THR A 86 12.126 -9.907 -2.050 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.944 -7.207 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.982 -8.284 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.169 -9.440 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.605 -7.784 -3.640 1.00 0.00 H new ATOM 1363 N GLY A 87 11.660 -11.955 -4.287 1.00 0.00 N ATOM 1364 CA GLY A 87 12.225 -13.207 -4.757 1.00 0.00 C ATOM 1365 C GLY A 87 13.375 -13.688 -3.896 1.00 0.00 C ATOM 1366 O GLY A 87 13.244 -14.674 -3.170 1.00 0.00 O ATOM 0 H GLY A 87 10.804 -12.052 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.446 -13.969 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.572 -13.082 -5.783 1.00 0.00 H new ATOM 1370 N GLU A 88 14.495 -12.974 -3.966 1.00 0.00 N ATOM 1371 CA GLU A 88 15.704 -13.344 -3.233 1.00 0.00 C ATOM 1372 C GLU A 88 15.453 -13.323 -1.729 1.00 0.00 C ATOM 1373 O GLU A 88 15.955 -14.166 -0.982 1.00 0.00 O ATOM 1374 CB GLU A 88 16.838 -12.372 -3.569 1.00 0.00 C ATOM 1375 CG GLU A 88 18.222 -12.921 -3.273 1.00 0.00 C ATOM 1376 CD GLU A 88 18.636 -13.978 -4.271 1.00 0.00 C ATOM 1377 OE1 GLU A 88 19.207 -13.611 -5.320 1.00 0.00 O ATOM 1378 OE2 GLU A 88 18.378 -15.177 -4.025 1.00 0.00 O ATOM 0 H GLU A 88 14.591 -12.128 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 88 15.985 -14.354 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.779 -12.111 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.694 -11.451 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.946 -12.106 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.237 -13.345 -2.269 1.00 0.00 H new ATOM 1385 N GLY A 89 14.665 -12.348 -1.299 1.00 0.00 N ATOM 1386 CA GLY A 89 14.370 -12.193 0.105 1.00 0.00 C ATOM 1387 C GLY A 89 14.941 -10.906 0.656 1.00 0.00 C ATOM 1388 O GLY A 89 16.021 -10.479 0.253 1.00 0.00 O ATOM 0 H GLY A 89 14.223 -11.658 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.290 -12.206 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.778 -13.039 0.658 1.00 0.00 H new ATOM 1392 N GLN A 90 14.213 -10.282 1.565 1.00 0.00 N ATOM 1393 CA GLN A 90 14.666 -9.041 2.177 1.00 0.00 C ATOM 1394 C GLN A 90 15.163 -9.314 3.588 1.00 0.00 C ATOM 1395 O GLN A 90 15.837 -8.488 4.200 1.00 0.00 O ATOM 1396 CB GLN A 90 13.537 -8.010 2.196 1.00 0.00 C ATOM 1397 CG GLN A 90 12.311 -8.459 2.977 1.00 0.00 C ATOM 1398 CD GLN A 90 11.167 -7.470 2.883 1.00 0.00 C ATOM 1399 OE1 GLN A 90 10.355 -7.351 3.798 1.00 0.00 O ATOM 1400 NE2 GLN A 90 11.097 -6.754 1.773 1.00 0.00 N ATOM 0 H GLN A 90 13.307 -10.612 1.897 1.00 0.00 H new ATOM 0 HA GLN A 90 15.487 -8.635 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.912 -7.082 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.242 -7.788 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.981 -9.428 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.582 -8.597 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.792 -6.884 1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.348 -6.072 1.652 1.00 0.00 H new ATOM 1409 N LYS A 91 14.814 -10.484 4.101 1.00 0.00 N ATOM 1410 CA LYS A 91 15.286 -10.910 5.402 1.00 0.00 C ATOM 1411 C LYS A 91 16.654 -11.562 5.255 1.00 0.00 C ATOM 1412 O LYS A 91 17.594 -11.189 5.951 1.00 0.00 O ATOM 1413 CB LYS A 91 14.292 -11.889 6.033 1.00 0.00 C ATOM 1414 CG LYS A 91 14.621 -12.267 7.468 1.00 0.00 C ATOM 1415 CD LYS A 91 14.678 -11.043 8.368 1.00 0.00 C ATOM 1416 CE LYS A 91 14.854 -11.424 9.830 1.00 0.00 C ATOM 1417 NZ LYS A 91 16.102 -12.196 10.068 1.00 0.00 N ATOM 0 H LYS A 91 14.204 -11.154 3.632 1.00 0.00 H new ATOM 0 HA LYS A 91 15.372 -10.042 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.296 -11.448 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.257 -12.795 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.870 -12.961 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.579 -12.787 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.503 -10.402 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.762 -10.463 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.867 -10.520 10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.997 -12.015 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.347 -12.157 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.957 -13.186 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.876 -11.786 9.508 1.00 0.00 H new ATOM 1431 N LEU A 92 16.749 -12.518 4.328 1.00 0.00 N ATOM 1432 CA LEU A 92 18.004 -13.222 4.044 1.00 0.00 C ATOM 1433 C LEU A 92 18.658 -13.695 5.344 1.00 0.00 C ATOM 1434 O LEU A 92 19.827 -13.423 5.627 1.00 0.00 O ATOM 1435 CB LEU A 92 18.952 -12.321 3.246 1.00 0.00 C ATOM 1436 CG LEU A 92 20.064 -13.052 2.491 1.00 0.00 C ATOM 1437 CD1 LEU A 92 19.472 -14.049 1.506 1.00 0.00 C ATOM 1438 CD2 LEU A 92 20.959 -12.058 1.769 1.00 0.00 C ATOM 0 H LEU A 92 15.963 -12.826 3.755 1.00 0.00 H new ATOM 0 HA LEU A 92 17.783 -14.101 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 92 18.365 -11.747 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 92 19.409 -11.605 3.930 1.00 0.00 H new ATOM 0 HG LEU A 92 20.669 -13.599 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 92 20.277 -14.560 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.871 -14.780 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.844 -13.522 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 92 21.744 -12.595 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 92 20.366 -11.484 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 92 21.410 -11.381 2.494 1.00 0.00 H new ATOM 1450 N GLY A 93 17.862 -14.401 6.131 1.00 0.00 N ATOM 1451 CA GLY A 93 18.272 -14.858 7.440 1.00 0.00 C ATOM 1452 C GLY A 93 17.074 -15.405 8.169 1.00 0.00 C ATOM 1453 O GLY A 93 16.383 -14.661 8.864 1.00 0.00 O ATOM 0 H GLY A 93 16.912 -14.671 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 93 19.039 -15.627 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.712 -14.036 8.004 1.00 0.00 H new ATOM 1457 N SER A 94 16.836 -16.700 7.986 1.00 0.00 N ATOM 1458 CA SER A 94 15.559 -17.323 8.306 1.00 0.00 C ATOM 1459 C SER A 94 14.536 -16.909 7.245 1.00 0.00 C ATOM 1460 O SER A 94 14.359 -15.721 6.977 1.00 0.00 O ATOM 1461 CB SER A 94 15.081 -16.978 9.725 1.00 0.00 C ATOM 1462 OG SER A 94 15.997 -17.460 10.699 1.00 0.00 O ATOM 0 H SER A 94 17.528 -17.349 7.610 1.00 0.00 H new ATOM 0 HA SER A 94 15.679 -18.406 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.973 -15.898 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.097 -17.414 9.898 1.00 0.00 H new ATOM 0 HG SER A 94 15.674 -17.228 11.595 1.00 0.00 H new ATOM 1468 N THR A 95 13.902 -17.901 6.628 1.00 0.00 N ATOM 1469 CA THR A 95 13.109 -17.710 5.410 1.00 0.00 C ATOM 1470 C THR A 95 12.086 -16.579 5.524 1.00 0.00 C ATOM 1471 O THR A 95 11.942 -15.786 4.584 1.00 0.00 O ATOM 1472 CB THR A 95 12.377 -19.012 5.035 1.00 0.00 C ATOM 1473 OG1 THR A 95 13.288 -20.116 5.105 1.00 0.00 O ATOM 1474 CG2 THR A 95 11.798 -18.922 3.630 1.00 0.00 C ATOM 0 H THR A 95 13.922 -18.866 6.957 1.00 0.00 H new ATOM 0 HA THR A 95 13.819 -17.432 4.631 1.00 0.00 H new ATOM 0 HB THR A 95 11.560 -19.162 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.819 -20.943 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.286 -19.853 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.090 -18.095 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.603 -18.754 2.915 1.00 0.00 H new ATOM 1482 N ALA A 96 11.406 -16.506 6.672 1.00 0.00 N ATOM 1483 CA ALA A 96 10.311 -15.560 6.896 1.00 0.00 C ATOM 1484 C ALA A 96 9.068 -15.989 6.123 1.00 0.00 C ATOM 1485 O ALA A 96 9.117 -16.224 4.912 1.00 0.00 O ATOM 1486 CB ALA A 96 10.714 -14.130 6.536 1.00 0.00 C ATOM 0 H ALA A 96 11.601 -17.104 7.475 1.00 0.00 H new ATOM 0 HA ALA A 96 10.077 -15.570 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.874 -13.459 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.561 -13.825 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.995 -14.085 5.484 1.00 0.00 H new ATOM 1492 N PRO A 97 7.931 -16.117 6.827 1.00 0.00 N ATOM 1493 CA PRO A 97 6.675 -16.561 6.225 1.00 0.00 C ATOM 1494 C PRO A 97 6.150 -15.560 5.209 1.00 0.00 C ATOM 1495 O PRO A 97 6.534 -14.391 5.231 1.00 0.00 O ATOM 1496 CB PRO A 97 5.705 -16.674 7.408 1.00 0.00 C ATOM 1497 CG PRO A 97 6.560 -16.622 8.630 1.00 0.00 C ATOM 1498 CD PRO A 97 7.774 -15.822 8.257 1.00 0.00 C ATOM 0 HA PRO A 97 6.800 -17.498 5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.981 -15.860 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.139 -17.605 7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.027 -16.157 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.839 -17.625 8.953 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.627 -14.757 8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.650 -16.124 8.831 1.00 0.00 H new ATOM 1506 N GLN A 98 5.280 -16.015 4.321 1.00 0.00 N ATOM 1507 CA GLN A 98 4.741 -15.147 3.286 1.00 0.00 C ATOM 1508 C GLN A 98 3.744 -14.152 3.879 1.00 0.00 C ATOM 1509 O GLN A 98 4.149 -13.136 4.441 1.00 0.00 O ATOM 1510 CB GLN A 98 4.088 -15.979 2.172 1.00 0.00 C ATOM 1511 CG GLN A 98 3.676 -15.166 0.951 1.00 0.00 C ATOM 1512 CD GLN A 98 4.855 -14.510 0.251 1.00 0.00 C ATOM 1513 OE1 GLN A 98 4.723 -13.434 -0.334 1.00 0.00 O ATOM 1514 NE2 GLN A 98 6.012 -15.153 0.300 1.00 0.00 N ATOM 0 H GLN A 98 4.934 -16.974 4.296 1.00 0.00 H new ATOM 0 HA GLN A 98 5.564 -14.580 2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.784 -16.758 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 98 3.208 -16.480 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.157 -15.816 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.967 -14.396 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.081 -16.042 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.834 -14.759 -0.157 1.00 0.00 H new ATOM 1523 N VAL A 99 2.451 -14.475 3.780 1.00 0.00 N ATOM 1524 CA VAL A 99 1.367 -13.600 4.243 1.00 0.00 C ATOM 1525 C VAL A 99 1.610 -12.144 3.829 1.00 0.00 C ATOM 1526 O VAL A 99 1.321 -11.766 2.692 1.00 0.00 O ATOM 1527 CB VAL A 99 1.157 -13.691 5.774 1.00 0.00 C ATOM 1528 CG1 VAL A 99 -0.108 -12.955 6.196 1.00 0.00 C ATOM 1529 CG2 VAL A 99 1.100 -15.145 6.217 1.00 0.00 C ATOM 0 H VAL A 99 2.125 -15.353 3.376 1.00 0.00 H new ATOM 0 HA VAL A 99 0.456 -13.953 3.760 1.00 0.00 H new ATOM 0 HB VAL A 99 2.006 -13.211 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.232 -13.034 7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.028 -11.905 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.970 -13.399 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.952 -15.191 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.272 -15.646 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.035 -15.641 5.958 1.00 0.00 H new ATOM 1539 N LEU A 100 2.176 -11.354 4.748 1.00 0.00 N ATOM 1540 CA LEU A 100 2.543 -9.965 4.489 1.00 0.00 C ATOM 1541 C LEU A 100 3.060 -9.310 5.766 1.00 0.00 C ATOM 1542 O LEU A 100 4.212 -8.883 5.844 1.00 0.00 O ATOM 1543 CB LEU A 100 1.350 -9.164 3.972 1.00 0.00 C ATOM 1544 CG LEU A 100 1.725 -7.849 3.293 1.00 0.00 C ATOM 1545 CD1 LEU A 100 2.334 -8.110 1.923 1.00 0.00 C ATOM 1546 CD2 LEU A 100 0.518 -6.930 3.183 1.00 0.00 C ATOM 0 H LEU A 100 2.392 -11.665 5.695 1.00 0.00 H new ATOM 0 HA LEU A 100 3.324 -9.968 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.793 -9.779 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.681 -8.951 4.806 1.00 0.00 H new ATOM 0 HG LEU A 100 2.471 -7.348 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.595 -7.161 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.231 -8.719 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.613 -8.637 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.812 -6.000 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.259 -7.418 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.135 -6.712 4.180 1.00 0.00 H new ATOM 1558 N SER A 101 2.200 -9.269 6.775 1.00 0.00 N ATOM 1559 CA SER A 101 2.478 -8.541 8.008 1.00 0.00 C ATOM 1560 C SER A 101 3.231 -9.396 9.027 1.00 0.00 C ATOM 1561 O SER A 101 2.969 -9.302 10.227 1.00 0.00 O ATOM 1562 CB SER A 101 1.154 -8.074 8.607 1.00 0.00 C ATOM 1563 OG SER A 101 0.281 -7.612 7.589 1.00 0.00 O ATOM 0 H SER A 101 1.294 -9.737 6.763 1.00 0.00 H new ATOM 0 HA SER A 101 3.116 -7.691 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.685 -8.894 9.151 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.336 -7.276 9.327 1.00 0.00 H new ATOM 0 HG SER A 101 -0.216 -6.833 7.914 1.00 0.00 H new ATOM 1569 N THR A 102 4.173 -10.204 8.547 1.00 0.00 N ATOM 1570 CA THR A 102 4.923 -11.118 9.402 1.00 0.00 C ATOM 1571 C THR A 102 4.009 -12.209 9.966 1.00 0.00 C ATOM 1572 O THR A 102 3.912 -13.285 9.340 1.00 0.00 O ATOM 1573 CB THR A 102 5.632 -10.367 10.555 1.00 0.00 C ATOM 1574 OG1 THR A 102 6.505 -9.358 10.020 1.00 0.00 O ATOM 1575 CG2 THR A 102 6.440 -11.324 11.419 1.00 0.00 C ATOM 1576 OXT THR A 102 3.380 -11.987 11.021 1.00 0.00 O ATOM 0 H THR A 102 4.436 -10.243 7.562 1.00 0.00 H new ATOM 0 HA THR A 102 5.689 -11.586 8.784 1.00 0.00 H new ATOM 0 HB THR A 102 4.865 -9.902 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.949 -8.886 10.755 1.00 0.00 H new ATOM 0 HG21 THR A 102 6.927 -10.768 12.220 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.777 -12.074 11.849 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.196 -11.816 10.807 1.00 0.00 H new TER 1584 THR A 102