USER MOD reduce.3.24.130724 H: found=0, std=0, add=1128, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1126 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: B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 34 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-6.9!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 2.2: B 24 GLN : amide:sc= 0.0222 X(o=0.022,f=-0.19) USER MOD Set 3.1: B 14 THR OG1 : rot -170:sc= 0 USER MOD Set 3.2: B 53 ASN :FLIP amide:sc= -1.52 F(o=-3.7!,f=-1.5) USER MOD Set 4.1: A 72 SER OG : rot -82:sc= 1.18 USER MOD Set 4.2: A 73 ASN : amide:sc= 0.858 K(o=2,f=-1.1) USER MOD Set 5.1: A 66 MET CE :methyl -147:sc= -6.12! (180deg=-5.48!) USER MOD Set 5.2: B 30 SER OG : rot -166:sc= -1.22! USER MOD Set 6.1: A 16 GLN : amide:sc= -2.09! C(o=-1.9!,f=-2.9!) USER MOD Set 6.2: A 56 SER OG : rot 173:sc= 0.143 USER MOD Set 7.1: A 46 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.8!) USER MOD Set 7.2: A 48 GLN : amide:sc=-0.00294 X(o=-2.9,f=-2.8) USER MOD Set 8.1: A 30 SER OG : rot 131:sc= 0.898 USER MOD Set 8.2: B 66 MET CE :methyl -148:sc= -3.77! (180deg=-9.04!) USER MOD Set 9.1: A 24 GLN : amide:sc= -1.45 X(o=-2.3,f=-2) USER MOD Set 9.2: A 25 SER OG : rot 180:sc= -0.873 USER MOD Single : A 5 THR OG1 : rot 38:sc= 0.177 USER MOD Single : A 10 GLN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.33) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0125 K(o=-0.013,f=-0.72) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.303) USER MOD Single : A 34 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-5.9!) USER MOD Single : A 37 GLN : amide:sc= -0.89 K(o=-0.89,f=-1.7) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -2.34 (180deg=-2.59!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.71 K(o=-2.7,f=-7.9!) USER MOD Single : A 58 MET CE :methyl -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00296) USER MOD Single : A 69 ASN : amide:sc= -0.287 K(o=-0.29,f=-3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 33:sc= 0.168 USER MOD Single : B 10 GLN :FLIP amide:sc= -0.0193 F(o=-0.55,f=-0.019) USER MOD Single : B 13 GLN : amide:sc=-0.000145 X(o=-0.00015,f=0) USER MOD Single : B 16 GLN : amide:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : B 19 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.095) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4.3!) USER MOD Single : B 25 SER OG : rot 180:sc= -0.285 USER MOD Single : B 27 LYS NZ :NH3+ 161:sc=-0.00465 (180deg=-0.155) USER MOD Single : B 37 GLN :FLIP amide:sc= -1.25 F(o=-2.1,f=-1.3) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.1!) USER MOD Single : B 48 GLN : amide:sc=-0.00925 X(o=-0.0092,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 SER OG : rot 175:sc= 0.195 USER MOD Single : B 58 MET CE :methyl -158:sc= -0.398 (180deg=-1.19) USER MOD Single : B 60 LYS NZ :NH3+ -126:sc= -1.4 (180deg=-3.58!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.643 K(o=-0.64,f=-2.3!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 52:sc= 0.664 USER MOD Single : B 73 ASN : amide:sc= 0.067 K(o=0.067,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -12.205 -16.447 -16.185 1.00 0.00 N ATOM 2 CA THR A 5 -11.607 -15.670 -15.112 1.00 0.00 C ATOM 3 C THR A 5 -10.710 -16.558 -14.248 1.00 0.00 C ATOM 4 O THR A 5 -11.078 -16.919 -13.131 1.00 0.00 O ATOM 5 CB THR A 5 -12.736 -14.999 -14.327 1.00 0.00 C ATOM 6 OG1 THR A 5 -13.319 -14.096 -15.262 1.00 0.00 O ATOM 7 CG2 THR A 5 -12.215 -14.094 -13.209 1.00 0.00 C ATOM 0 HA THR A 5 -10.957 -14.888 -15.504 1.00 0.00 H new ATOM 0 HB THR A 5 -13.386 -15.763 -13.901 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.336 -14.510 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.057 -13.643 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.624 -14.684 -12.508 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.592 -13.309 -13.637 1.00 0.00 H new ATOM 15 N GLU A 6 -9.548 -16.883 -14.797 1.00 0.00 N ATOM 16 CA GLU A 6 -8.595 -17.722 -14.089 1.00 0.00 C ATOM 17 C GLU A 6 -7.331 -16.927 -13.760 1.00 0.00 C ATOM 18 O GLU A 6 -6.351 -16.976 -14.502 1.00 0.00 O ATOM 19 CB GLU A 6 -8.259 -18.975 -14.901 1.00 0.00 C ATOM 20 CG GLU A 6 -7.717 -20.084 -13.998 1.00 0.00 C ATOM 21 CD GLU A 6 -8.174 -21.460 -14.484 1.00 0.00 C ATOM 22 OE1 GLU A 6 -9.379 -21.749 -14.319 1.00 0.00 O ATOM 23 OE2 GLU A 6 -7.309 -22.193 -15.011 1.00 0.00 O ATOM 0 H GLU A 6 -9.245 -16.581 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.050 -18.047 -13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.151 -19.327 -15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.521 -18.730 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.628 -20.044 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.058 -19.924 -12.975 1.00 0.00 H new ATOM 30 N LEU A 7 -7.393 -16.212 -12.646 1.00 0.00 N ATOM 31 CA LEU A 7 -6.265 -15.407 -12.209 1.00 0.00 C ATOM 32 C LEU A 7 -5.584 -16.093 -11.022 1.00 0.00 C ATOM 33 O LEU A 7 -6.139 -17.020 -10.435 1.00 0.00 O ATOM 34 CB LEU A 7 -6.711 -13.973 -11.918 1.00 0.00 C ATOM 35 CG LEU A 7 -7.294 -13.198 -13.101 1.00 0.00 C ATOM 36 CD1 LEU A 7 -8.799 -13.439 -13.226 1.00 0.00 C ATOM 37 CD2 LEU A 7 -6.958 -11.709 -13.001 1.00 0.00 C ATOM 0 H LEU A 7 -8.207 -16.174 -12.033 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.522 -15.330 -13.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.457 -14.000 -11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.855 -13.419 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.831 -13.571 -14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.188 -12.877 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.986 -14.502 -13.379 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.297 -13.110 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.384 -11.182 -13.854 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.374 -11.303 -12.079 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.876 -11.580 -12.998 1.00 0.00 H new ATOM 49 N ARG A 8 -4.392 -15.609 -10.705 1.00 0.00 N ATOM 50 CA ARG A 8 -3.629 -16.164 -9.600 1.00 0.00 C ATOM 51 C ARG A 8 -3.039 -15.040 -8.745 1.00 0.00 C ATOM 52 O ARG A 8 -3.667 -13.998 -8.565 1.00 0.00 O ATOM 53 CB ARG A 8 -2.496 -17.059 -10.106 1.00 0.00 C ATOM 54 CG ARG A 8 -2.987 -17.987 -11.219 1.00 0.00 C ATOM 55 CD ARG A 8 -3.445 -19.331 -10.650 1.00 0.00 C ATOM 56 NE ARG A 8 -3.797 -20.254 -11.752 1.00 0.00 N ATOM 57 CZ ARG A 8 -4.001 -21.569 -11.595 1.00 0.00 C ATOM 58 NH1 ARG A 8 -3.890 -22.124 -10.380 1.00 0.00 N ATOM 59 NH2 ARG A 8 -4.317 -22.329 -12.653 1.00 0.00 N ATOM 0 H ARG A 8 -3.936 -14.839 -11.194 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.309 -16.766 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.678 -16.442 -10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.100 -17.652 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.811 -17.515 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.188 -18.148 -11.942 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.653 -19.766 -10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.306 -19.185 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.890 -19.865 -12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.650 -21.545 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.045 -23.125 -10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.402 -21.906 -13.577 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.472 -23.330 -12.534 1.00 0.00 H new ATOM 73 N CYS A 9 -1.839 -15.290 -8.243 1.00 0.00 N ATOM 74 CA CYS A 9 -1.157 -14.312 -7.412 1.00 0.00 C ATOM 75 C CYS A 9 -0.226 -13.489 -8.305 1.00 0.00 C ATOM 76 O CYS A 9 0.058 -13.878 -9.436 1.00 0.00 O ATOM 77 CB CYS A 9 -0.402 -14.977 -6.259 1.00 0.00 C ATOM 78 SG CYS A 9 -1.413 -16.101 -5.227 1.00 0.00 S ATOM 0 H CYS A 9 -1.321 -16.155 -8.395 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.889 -13.652 -6.947 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.437 -15.539 -6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.017 -14.199 -5.621 1.00 0.00 H new ATOM 83 N GLN A 10 0.223 -12.367 -7.761 1.00 0.00 N ATOM 84 CA GLN A 10 1.116 -11.486 -8.494 1.00 0.00 C ATOM 85 C GLN A 10 2.560 -11.687 -8.029 1.00 0.00 C ATOM 86 O GLN A 10 3.486 -11.113 -8.601 1.00 0.00 O ATOM 87 CB GLN A 10 0.690 -10.024 -8.343 1.00 0.00 C ATOM 88 CG GLN A 10 1.548 -9.110 -9.220 1.00 0.00 C ATOM 89 CD GLN A 10 0.914 -7.724 -9.352 1.00 0.00 C ATOM 90 OE1 GLN A 10 0.677 -7.223 -10.439 1.00 0.00 O ATOM 91 NE2 GLN A 10 0.653 -7.135 -8.189 1.00 0.00 N ATOM 0 H GLN A 10 -0.015 -12.048 -6.822 1.00 0.00 H new ATOM 0 HA GLN A 10 1.057 -11.740 -9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.359 -9.917 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.779 -9.721 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.545 -9.018 -8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.667 -9.555 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.877 -7.611 -7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.229 -6.208 -8.171 1.00 0.00 H new ATOM 100 N CYS A 11 2.707 -12.505 -6.997 1.00 0.00 N ATOM 101 CA CYS A 11 4.022 -12.789 -6.449 1.00 0.00 C ATOM 102 C CYS A 11 4.041 -14.243 -5.975 1.00 0.00 C ATOM 103 O CYS A 11 3.100 -14.702 -5.329 1.00 0.00 O ATOM 104 CB CYS A 11 4.388 -11.817 -5.325 1.00 0.00 C ATOM 105 SG CYS A 11 5.968 -10.926 -5.565 1.00 0.00 S ATOM 0 H CYS A 11 1.937 -12.980 -6.526 1.00 0.00 H new ATOM 0 HA CYS A 11 4.779 -12.650 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.587 -11.085 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.438 -12.370 -4.387 1.00 0.00 H new ATOM 110 N LEU A 12 5.123 -14.929 -6.314 1.00 0.00 N ATOM 111 CA LEU A 12 5.277 -16.322 -5.931 1.00 0.00 C ATOM 112 C LEU A 12 6.232 -16.416 -4.739 1.00 0.00 C ATOM 113 O LEU A 12 6.256 -17.426 -4.037 1.00 0.00 O ATOM 114 CB LEU A 12 5.709 -17.163 -7.133 1.00 0.00 C ATOM 115 CG LEU A 12 4.981 -16.878 -8.448 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.865 -17.219 -9.649 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.637 -17.607 -8.500 1.00 0.00 C ATOM 0 H LEU A 12 5.902 -14.546 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 12 4.322 -16.736 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.777 -17.012 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.569 -18.215 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 12 4.770 -15.810 -8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.324 -17.007 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.773 -16.617 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.129 -18.276 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.140 -17.387 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.802 -18.681 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.009 -17.273 -7.674 1.00 0.00 H new ATOM 129 N GLN A 13 6.994 -15.350 -4.547 1.00 0.00 N ATOM 130 CA GLN A 13 7.948 -15.300 -3.452 1.00 0.00 C ATOM 131 C GLN A 13 7.817 -13.978 -2.693 1.00 0.00 C ATOM 132 O GLN A 13 7.146 -13.057 -3.156 1.00 0.00 O ATOM 133 CB GLN A 13 9.377 -15.501 -3.960 1.00 0.00 C ATOM 134 CG GLN A 13 10.173 -16.404 -3.015 1.00 0.00 C ATOM 135 CD GLN A 13 9.590 -17.819 -2.988 1.00 0.00 C ATOM 136 OE1 GLN A 13 9.570 -18.529 -3.980 1.00 0.00 O ATOM 137 NE2 GLN A 13 9.118 -18.186 -1.800 1.00 0.00 N ATOM 0 H GLN A 13 6.970 -14.514 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 13 7.724 -16.115 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.354 -15.942 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.874 -14.535 -4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.215 -16.442 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.163 -15.983 -2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.166 -17.542 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.708 -19.112 -1.678 1.00 0.00 H new ATOM 146 N THR A 14 8.469 -13.926 -1.541 1.00 0.00 N ATOM 147 CA THR A 14 8.433 -12.732 -0.714 1.00 0.00 C ATOM 148 C THR A 14 9.693 -12.644 0.150 1.00 0.00 C ATOM 149 O THR A 14 10.423 -13.623 0.291 1.00 0.00 O ATOM 150 CB THR A 14 7.139 -12.759 0.101 1.00 0.00 C ATOM 151 OG1 THR A 14 6.953 -14.138 0.411 1.00 0.00 O ATOM 152 CG2 THR A 14 5.911 -12.397 -0.737 1.00 0.00 C ATOM 0 H THR A 14 9.025 -14.692 -1.161 1.00 0.00 H new ATOM 0 HA THR A 14 8.431 -11.829 -1.324 1.00 0.00 H new ATOM 0 HB THR A 14 7.223 -12.067 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.136 -14.247 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.020 -12.431 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.031 -11.392 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.806 -13.109 -1.556 1.00 0.00 H new ATOM 160 N LEU A 15 9.909 -11.460 0.705 1.00 0.00 N ATOM 161 CA LEU A 15 11.068 -11.231 1.551 1.00 0.00 C ATOM 162 C LEU A 15 10.699 -11.527 3.006 1.00 0.00 C ATOM 163 O LEU A 15 9.556 -11.871 3.302 1.00 0.00 O ATOM 164 CB LEU A 15 11.622 -9.822 1.331 1.00 0.00 C ATOM 165 CG LEU A 15 12.340 -9.583 0.002 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.298 -8.103 -0.386 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.771 -10.123 0.047 1.00 0.00 C ATOM 0 H LEU A 15 9.301 -10.650 0.585 1.00 0.00 H new ATOM 0 HA LEU A 15 11.876 -11.911 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.798 -9.113 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.315 -9.595 2.141 1.00 0.00 H new ATOM 0 HG LEU A 15 11.812 -10.135 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.816 -7.961 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.261 -7.783 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.787 -7.510 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.259 -9.940 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.325 -9.619 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.749 -11.195 0.244 1.00 0.00 H new ATOM 179 N GLN A 16 11.688 -11.383 3.875 1.00 0.00 N ATOM 180 CA GLN A 16 11.482 -11.631 5.292 1.00 0.00 C ATOM 181 C GLN A 16 11.575 -10.322 6.079 1.00 0.00 C ATOM 182 O GLN A 16 11.196 -10.268 7.248 1.00 0.00 O ATOM 183 CB GLN A 16 12.482 -12.661 5.820 1.00 0.00 C ATOM 184 CG GLN A 16 12.592 -12.587 7.345 1.00 0.00 C ATOM 185 CD GLN A 16 11.227 -12.798 8.003 1.00 0.00 C ATOM 186 OE1 GLN A 16 10.337 -13.430 7.459 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.113 -12.235 9.203 1.00 0.00 N ATOM 0 H GLN A 16 12.635 -11.098 3.625 1.00 0.00 H new ATOM 0 HA GLN A 16 10.482 -12.043 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.170 -13.662 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.460 -12.486 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.292 -13.343 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.995 -11.617 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.898 -11.719 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.241 -12.319 9.725 1.00 0.00 H new ATOM 196 N GLY A 17 12.081 -9.299 5.406 1.00 0.00 N ATOM 197 CA GLY A 17 12.229 -7.994 6.028 1.00 0.00 C ATOM 198 C GLY A 17 13.478 -7.278 5.509 1.00 0.00 C ATOM 199 O GLY A 17 14.587 -7.544 5.971 1.00 0.00 O ATOM 0 H GLY A 17 12.394 -9.347 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.347 -7.388 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.294 -8.108 7.110 1.00 0.00 H new ATOM 203 N ILE A 18 13.257 -6.384 4.557 1.00 0.00 N ATOM 204 CA ILE A 18 14.351 -5.629 3.971 1.00 0.00 C ATOM 205 C ILE A 18 14.441 -4.260 4.650 1.00 0.00 C ATOM 206 O ILE A 18 13.466 -3.788 5.233 1.00 0.00 O ATOM 207 CB ILE A 18 14.195 -5.551 2.451 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.712 -6.826 1.781 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.870 -4.297 1.893 1.00 0.00 C ATOM 210 CD1 ILE A 18 16.178 -7.078 2.140 1.00 0.00 C ATOM 0 H ILE A 18 12.336 -6.165 4.177 1.00 0.00 H new ATOM 0 HA ILE A 18 15.300 -6.136 4.146 1.00 0.00 H new ATOM 0 HB ILE A 18 13.132 -5.473 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.106 -7.677 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.608 -6.741 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.744 -4.267 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.415 -3.411 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.933 -4.318 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.521 -7.990 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.784 -6.237 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.274 -7.187 3.220 1.00 0.00 H new ATOM 222 N HIS A 19 15.619 -3.663 4.552 1.00 0.00 N ATOM 223 CA HIS A 19 15.849 -2.359 5.149 1.00 0.00 C ATOM 224 C HIS A 19 14.851 -1.349 4.578 1.00 0.00 C ATOM 225 O HIS A 19 14.436 -1.466 3.426 1.00 0.00 O ATOM 226 CB HIS A 19 17.304 -1.924 4.962 1.00 0.00 C ATOM 227 CG HIS A 19 17.939 -1.351 6.207 1.00 0.00 C ATOM 228 ND1 HIS A 19 17.899 -0.002 6.515 1.00 0.00 N ATOM 229 CD2 HIS A 19 18.627 -1.957 7.217 1.00 0.00 C ATOM 230 CE1 HIS A 19 18.538 0.184 7.661 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.989 -1.028 8.094 1.00 0.00 N ATOM 0 H HIS A 19 16.425 -4.058 4.068 1.00 0.00 H new ATOM 0 HA HIS A 19 15.682 -2.414 6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.889 -2.782 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.351 -1.180 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 19 18.841 -3.013 7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 19 18.677 1.130 8.164 1.00 0.00 H new ATOM 0 HE2 HIS A 19 19.517 -1.194 8.951 1.00 0.00 H new ATOM 239 N LEU A 20 14.496 -0.381 5.409 1.00 0.00 N ATOM 240 CA LEU A 20 13.555 0.648 5.001 1.00 0.00 C ATOM 241 C LEU A 20 14.323 1.824 4.394 1.00 0.00 C ATOM 242 O LEU A 20 13.798 2.932 4.304 1.00 0.00 O ATOM 243 CB LEU A 20 12.652 1.043 6.172 1.00 0.00 C ATOM 244 CG LEU A 20 11.473 1.957 5.831 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.247 1.141 5.420 1.00 0.00 C ATOM 246 CD2 LEU A 20 11.167 2.910 6.988 1.00 0.00 C ATOM 0 H LEU A 20 14.843 -0.287 6.364 1.00 0.00 H new ATOM 0 HA LEU A 20 12.888 0.268 4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.261 0.133 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.264 1.538 6.926 1.00 0.00 H new ATOM 0 HG LEU A 20 11.752 2.570 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.424 1.815 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.487 0.540 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.954 0.486 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.325 3.549 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.916 2.333 7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.041 3.528 7.191 1.00 0.00 H new ATOM 258 N LYS A 21 15.554 1.541 3.993 1.00 0.00 N ATOM 259 CA LYS A 21 16.400 2.561 3.397 1.00 0.00 C ATOM 260 C LYS A 21 16.454 2.352 1.883 1.00 0.00 C ATOM 261 O LYS A 21 16.968 3.198 1.153 1.00 0.00 O ATOM 262 CB LYS A 21 17.776 2.574 4.066 1.00 0.00 C ATOM 263 CG LYS A 21 18.831 3.180 3.137 1.00 0.00 C ATOM 264 CD LYS A 21 18.554 4.664 2.887 1.00 0.00 C ATOM 265 CE LYS A 21 19.691 5.533 3.428 1.00 0.00 C ATOM 266 NZ LYS A 21 20.481 6.104 2.314 1.00 0.00 N ATOM 0 H LYS A 21 15.986 0.620 4.069 1.00 0.00 H new ATOM 0 HA LYS A 21 15.979 3.552 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.729 3.147 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.063 1.558 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.821 3.060 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.837 2.643 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.434 4.840 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.616 4.948 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.283 6.336 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.337 4.937 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.249 6.691 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.886 5.333 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.864 6.689 1.715 1.00 0.00 H new ATOM 280 N ASN A 22 15.915 1.219 1.455 1.00 0.00 N ATOM 281 CA ASN A 22 15.896 0.888 0.040 1.00 0.00 C ATOM 282 C ASN A 22 14.464 1.003 -0.487 1.00 0.00 C ATOM 283 O ASN A 22 14.251 1.378 -1.639 1.00 0.00 O ATOM 284 CB ASN A 22 16.372 -0.547 -0.196 1.00 0.00 C ATOM 285 CG ASN A 22 17.789 -0.566 -0.773 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.113 0.138 -1.715 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.612 -1.410 -0.158 1.00 0.00 N ATOM 0 H ASN A 22 15.489 0.520 2.063 1.00 0.00 H new ATOM 0 HA ASN A 22 16.562 1.579 -0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.350 -1.100 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.690 -1.052 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.579 -1.497 -0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.276 -1.970 0.625 1.00 0.00 H new ATOM 294 N ILE A 23 13.519 0.675 0.382 1.00 0.00 N ATOM 295 CA ILE A 23 12.114 0.737 0.019 1.00 0.00 C ATOM 296 C ILE A 23 11.713 2.197 -0.202 1.00 0.00 C ATOM 297 O ILE A 23 11.912 3.039 0.672 1.00 0.00 O ATOM 298 CB ILE A 23 11.258 0.016 1.063 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.043 -1.449 0.678 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.935 0.750 1.289 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.491 -2.383 1.805 1.00 0.00 C ATOM 0 H ILE A 23 13.699 0.365 1.337 1.00 0.00 H new ATOM 0 HA ILE A 23 11.940 0.212 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 23 11.796 0.024 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.990 -1.620 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.601 -1.676 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.346 0.217 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.136 1.762 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.379 0.795 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.328 -3.418 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.551 -2.227 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.914 -2.170 2.705 1.00 0.00 H new ATOM 313 N GLN A 24 11.156 2.452 -1.377 1.00 0.00 N ATOM 314 CA GLN A 24 10.725 3.796 -1.725 1.00 0.00 C ATOM 315 C GLN A 24 9.202 3.904 -1.640 1.00 0.00 C ATOM 316 O GLN A 24 8.663 4.989 -1.430 1.00 0.00 O ATOM 317 CB GLN A 24 11.227 4.189 -3.116 1.00 0.00 C ATOM 318 CG GLN A 24 11.541 5.685 -3.182 1.00 0.00 C ATOM 319 CD GLN A 24 10.256 6.516 -3.182 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.059 7.402 -2.367 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.395 6.181 -4.139 1.00 0.00 N ATOM 0 H GLN A 24 10.993 1.751 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 24 11.159 4.493 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.121 3.615 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.474 3.938 -3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.161 5.968 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.117 5.900 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.622 5.429 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.507 6.676 -4.223 1.00 0.00 H new ATOM 330 N SER A 25 8.550 2.762 -1.808 1.00 0.00 N ATOM 331 CA SER A 25 7.098 2.715 -1.753 1.00 0.00 C ATOM 332 C SER A 25 6.637 1.332 -1.290 1.00 0.00 C ATOM 333 O SER A 25 7.398 0.367 -1.350 1.00 0.00 O ATOM 334 CB SER A 25 6.484 3.051 -3.114 1.00 0.00 C ATOM 335 OG SER A 25 7.412 3.714 -3.969 1.00 0.00 O ATOM 0 H SER A 25 9.000 1.863 -1.982 1.00 0.00 H new ATOM 0 HA SER A 25 6.758 3.463 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.141 2.134 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.608 3.683 -2.970 1.00 0.00 H new ATOM 0 HG SER A 25 6.983 3.910 -4.828 1.00 0.00 H new ATOM 341 N VAL A 26 5.393 1.279 -0.838 1.00 0.00 N ATOM 342 CA VAL A 26 4.821 0.029 -0.364 1.00 0.00 C ATOM 343 C VAL A 26 3.492 -0.221 -1.078 1.00 0.00 C ATOM 344 O VAL A 26 2.629 0.655 -1.118 1.00 0.00 O ATOM 345 CB VAL A 26 4.685 0.061 1.160 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.734 -1.034 1.647 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.052 -0.060 1.835 1.00 0.00 C ATOM 0 H VAL A 26 4.765 2.081 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 26 5.479 -0.807 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 26 4.258 1.025 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.654 -0.990 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.749 -0.884 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.120 -2.009 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.927 -0.035 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.519 -1.002 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.686 0.770 1.524 1.00 0.00 H new ATOM 357 N LYS A 27 3.368 -1.422 -1.625 1.00 0.00 N ATOM 358 CA LYS A 27 2.158 -1.799 -2.336 1.00 0.00 C ATOM 359 C LYS A 27 1.529 -3.015 -1.654 1.00 0.00 C ATOM 360 O LYS A 27 2.160 -4.065 -1.544 1.00 0.00 O ATOM 361 CB LYS A 27 2.454 -2.011 -3.822 1.00 0.00 C ATOM 362 CG LYS A 27 1.196 -2.450 -4.574 1.00 0.00 C ATOM 363 CD LYS A 27 -0.026 -1.653 -4.112 1.00 0.00 C ATOM 364 CE LYS A 27 -1.073 -1.561 -5.223 1.00 0.00 C ATOM 365 NZ LYS A 27 -1.359 -2.903 -5.778 1.00 0.00 N ATOM 0 H LYS A 27 4.085 -2.146 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 27 1.424 -0.994 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.838 -1.087 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.233 -2.765 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.341 -2.311 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.023 -3.514 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.463 -2.128 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.281 -0.651 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.990 -1.120 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.715 -0.902 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.252 -2.875 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.586 -3.188 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.440 -3.590 -5.001 1.00 0.00 H new ATOM 379 N VAL A 28 0.293 -2.833 -1.214 1.00 0.00 N ATOM 380 CA VAL A 28 -0.429 -3.903 -0.545 1.00 0.00 C ATOM 381 C VAL A 28 -1.555 -4.399 -1.455 1.00 0.00 C ATOM 382 O VAL A 28 -2.481 -3.651 -1.765 1.00 0.00 O ATOM 383 CB VAL A 28 -0.929 -3.424 0.819 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.930 -4.416 1.415 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.239 -3.181 1.777 1.00 0.00 C ATOM 0 H VAL A 28 -0.227 -1.961 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 28 0.231 -4.749 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.445 -2.475 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.270 -4.052 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.784 -4.517 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.450 -5.387 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.144 -2.841 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.795 -4.108 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.899 -2.420 1.360 1.00 0.00 H new ATOM 395 N LYS A 29 -1.438 -5.656 -1.856 1.00 0.00 N ATOM 396 CA LYS A 29 -2.435 -6.260 -2.723 1.00 0.00 C ATOM 397 C LYS A 29 -3.015 -7.501 -2.040 1.00 0.00 C ATOM 398 O LYS A 29 -2.469 -8.596 -2.168 1.00 0.00 O ATOM 399 CB LYS A 29 -1.843 -6.540 -4.106 1.00 0.00 C ATOM 400 CG LYS A 29 -2.948 -6.705 -5.152 1.00 0.00 C ATOM 401 CD LYS A 29 -3.405 -8.162 -5.241 1.00 0.00 C ATOM 402 CE LYS A 29 -3.278 -8.690 -6.672 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.615 -8.856 -7.284 1.00 0.00 N ATOM 0 H LYS A 29 -0.668 -6.273 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.263 -5.571 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.183 -5.722 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.234 -7.444 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.795 -6.069 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.585 -6.374 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.806 -8.776 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.440 -8.243 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.682 -8.000 -7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.752 -9.645 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.513 -9.263 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.190 -9.492 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.083 -7.930 -7.352 1.00 0.00 H new ATOM 417 N SER A 30 -4.113 -7.288 -1.331 1.00 0.00 N ATOM 418 CA SER A 30 -4.772 -8.375 -0.627 1.00 0.00 C ATOM 419 C SER A 30 -5.198 -9.458 -1.620 1.00 0.00 C ATOM 420 O SER A 30 -5.114 -9.262 -2.832 1.00 0.00 O ATOM 421 CB SER A 30 -5.984 -7.868 0.157 1.00 0.00 C ATOM 422 OG SER A 30 -5.740 -7.845 1.561 1.00 0.00 O ATOM 0 H SER A 30 -4.563 -6.379 -1.229 1.00 0.00 H new ATOM 0 HA SER A 30 -4.065 -8.801 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.242 -6.865 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.843 -8.506 -0.051 1.00 0.00 H new ATOM 0 HG SER A 30 -6.000 -6.972 1.924 1.00 0.00 H new ATOM 428 N PRO A 31 -5.657 -10.607 -1.056 1.00 0.00 N ATOM 429 CA PRO A 31 -6.096 -11.722 -1.878 1.00 0.00 C ATOM 430 C PRO A 31 -7.466 -11.439 -2.499 1.00 0.00 C ATOM 431 O PRO A 31 -8.119 -10.457 -2.150 1.00 0.00 O ATOM 432 CB PRO A 31 -6.104 -12.921 -0.944 1.00 0.00 C ATOM 433 CG PRO A 31 -6.120 -12.351 0.466 1.00 0.00 C ATOM 434 CD PRO A 31 -5.771 -10.874 0.375 1.00 0.00 C ATOM 0 HA PRO A 31 -5.439 -11.901 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.977 -13.549 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.225 -13.546 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.102 -12.484 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.403 -12.875 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.543 -10.256 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.838 -10.655 0.894 1.00 0.00 H new ATOM 442 N GLY A 32 -7.859 -12.317 -3.410 1.00 0.00 N ATOM 443 CA GLY A 32 -9.139 -12.174 -4.083 1.00 0.00 C ATOM 444 C GLY A 32 -9.776 -13.540 -4.345 1.00 0.00 C ATOM 445 O GLY A 32 -9.405 -14.533 -3.720 1.00 0.00 O ATOM 0 H GLY A 32 -7.314 -13.130 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.809 -11.567 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.001 -11.646 -5.027 1.00 0.00 H new ATOM 449 N PRO A 33 -10.749 -13.548 -5.295 1.00 0.00 N ATOM 450 CA PRO A 33 -11.442 -14.776 -5.648 1.00 0.00 C ATOM 451 C PRO A 33 -10.552 -15.681 -6.502 1.00 0.00 C ATOM 452 O PRO A 33 -10.975 -16.758 -6.920 1.00 0.00 O ATOM 453 CB PRO A 33 -12.699 -14.324 -6.372 1.00 0.00 C ATOM 454 CG PRO A 33 -12.438 -12.891 -6.807 1.00 0.00 C ATOM 455 CD PRO A 33 -11.215 -12.392 -6.056 1.00 0.00 C ATOM 0 HA PRO A 33 -11.696 -15.381 -4.778 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.905 -14.962 -7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.569 -14.381 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.271 -12.843 -7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.302 -12.263 -6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.448 -12.035 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.467 -11.560 -5.398 1.00 0.00 H new ATOM 463 N HIS A 34 -9.336 -15.210 -6.737 1.00 0.00 N ATOM 464 CA HIS A 34 -8.383 -15.964 -7.534 1.00 0.00 C ATOM 465 C HIS A 34 -7.216 -16.412 -6.652 1.00 0.00 C ATOM 466 O HIS A 34 -6.851 -17.586 -6.649 1.00 0.00 O ATOM 467 CB HIS A 34 -7.930 -15.152 -8.750 1.00 0.00 C ATOM 468 CG HIS A 34 -7.851 -13.665 -8.500 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.967 -12.887 -8.247 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.778 -12.823 -8.466 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.573 -11.634 -8.072 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.216 -11.596 -8.208 1.00 0.00 N ATOM 0 H HIS A 34 -8.989 -14.316 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.861 -16.862 -7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.951 -15.509 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.619 -15.336 -9.574 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.748 -13.106 -8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.214 -10.791 -7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.634 -10.763 -8.125 1.00 0.00 H new ATOM 480 N CYS A 35 -6.664 -15.452 -5.925 1.00 0.00 N ATOM 481 CA CYS A 35 -5.546 -15.733 -5.040 1.00 0.00 C ATOM 482 C CYS A 35 -5.998 -15.483 -3.600 1.00 0.00 C ATOM 483 O CYS A 35 -6.343 -14.359 -3.239 1.00 0.00 O ATOM 484 CB CYS A 35 -4.314 -14.901 -5.403 1.00 0.00 C ATOM 485 SG CYS A 35 -2.863 -15.165 -4.320 1.00 0.00 S ATOM 0 H CYS A 35 -6.970 -14.479 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.246 -16.775 -5.150 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.029 -15.129 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.584 -13.845 -5.374 1.00 0.00 H new ATOM 490 N ALA A 36 -5.983 -16.551 -2.815 1.00 0.00 N ATOM 491 CA ALA A 36 -6.387 -16.462 -1.423 1.00 0.00 C ATOM 492 C ALA A 36 -5.163 -16.152 -0.559 1.00 0.00 C ATOM 493 O ALA A 36 -5.148 -16.454 0.633 1.00 0.00 O ATOM 494 CB ALA A 36 -7.080 -17.762 -1.008 1.00 0.00 C ATOM 0 H ALA A 36 -5.697 -17.482 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.103 -15.652 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.383 -17.695 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.960 -17.921 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.391 -18.597 -1.133 1.00 0.00 H new ATOM 500 N GLN A 37 -4.166 -15.554 -1.195 1.00 0.00 N ATOM 501 CA GLN A 37 -2.940 -15.201 -0.500 1.00 0.00 C ATOM 502 C GLN A 37 -2.615 -13.722 -0.717 1.00 0.00 C ATOM 503 O GLN A 37 -2.924 -13.162 -1.768 1.00 0.00 O ATOM 504 CB GLN A 37 -1.779 -16.089 -0.949 1.00 0.00 C ATOM 505 CG GLN A 37 -2.280 -17.468 -1.383 1.00 0.00 C ATOM 506 CD GLN A 37 -2.853 -18.242 -0.194 1.00 0.00 C ATOM 507 OE1 GLN A 37 -2.438 -18.082 0.942 1.00 0.00 O ATOM 508 NE2 GLN A 37 -3.826 -19.089 -0.518 1.00 0.00 N ATOM 0 H GLN A 37 -4.182 -15.305 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.089 -15.368 0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.251 -15.613 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.063 -16.198 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.045 -17.356 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.461 -18.033 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.126 -19.174 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.273 -19.653 0.205 1.00 0.00 H new ATOM 517 N THR A 38 -1.996 -13.130 0.294 1.00 0.00 N ATOM 518 CA THR A 38 -1.625 -11.727 0.227 1.00 0.00 C ATOM 519 C THR A 38 -0.370 -11.547 -0.629 1.00 0.00 C ATOM 520 O THR A 38 0.427 -12.473 -0.771 1.00 0.00 O ATOM 521 CB THR A 38 -1.463 -11.211 1.659 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.557 -11.793 2.363 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.707 -9.705 1.770 1.00 0.00 C ATOM 0 H THR A 38 -1.742 -13.597 1.165 1.00 0.00 H new ATOM 0 HA THR A 38 -2.400 -11.136 -0.261 1.00 0.00 H new ATOM 0 HB THR A 38 -0.460 -11.443 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.529 -11.512 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.579 -9.391 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.994 -9.173 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.721 -9.476 1.444 1.00 0.00 H new ATOM 531 N GLU A 39 -0.233 -10.349 -1.177 1.00 0.00 N ATOM 532 CA GLU A 39 0.912 -10.035 -2.015 1.00 0.00 C ATOM 533 C GLU A 39 1.484 -8.667 -1.642 1.00 0.00 C ATOM 534 O GLU A 39 1.228 -7.675 -2.324 1.00 0.00 O ATOM 535 CB GLU A 39 0.536 -10.087 -3.498 1.00 0.00 C ATOM 536 CG GLU A 39 1.044 -11.376 -4.147 1.00 0.00 C ATOM 537 CD GLU A 39 0.076 -12.534 -3.895 1.00 0.00 C ATOM 538 OE1 GLU A 39 -1.125 -12.343 -4.182 1.00 0.00 O ATOM 539 OE2 GLU A 39 0.560 -13.585 -3.421 1.00 0.00 O ATOM 0 H GLU A 39 -0.896 -9.583 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 39 1.682 -10.787 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.547 -10.024 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.958 -9.225 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.164 -11.225 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.027 -11.626 -3.748 1.00 0.00 H new ATOM 546 N VAL A 40 2.250 -8.656 -0.560 1.00 0.00 N ATOM 547 CA VAL A 40 2.861 -7.425 -0.088 1.00 0.00 C ATOM 548 C VAL A 40 4.063 -7.086 -0.971 1.00 0.00 C ATOM 549 O VAL A 40 5.021 -7.855 -1.044 1.00 0.00 O ATOM 550 CB VAL A 40 3.224 -7.555 1.392 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.947 -6.303 1.892 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.983 -7.846 2.238 1.00 0.00 C ATOM 0 H VAL A 40 2.461 -9.480 0.003 1.00 0.00 H new ATOM 0 HA VAL A 40 2.158 -6.596 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 40 3.906 -8.399 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.193 -6.422 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.863 -6.159 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.300 -5.435 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.269 -7.934 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.266 -7.033 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.528 -8.779 1.907 1.00 0.00 H new ATOM 562 N ILE A 41 3.975 -5.935 -1.621 1.00 0.00 N ATOM 563 CA ILE A 41 5.044 -5.485 -2.496 1.00 0.00 C ATOM 564 C ILE A 41 5.577 -4.141 -1.994 1.00 0.00 C ATOM 565 O ILE A 41 4.862 -3.397 -1.325 1.00 0.00 O ATOM 566 CB ILE A 41 4.568 -5.454 -3.950 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.356 -6.366 -4.150 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.710 -5.799 -4.908 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.741 -7.836 -3.971 1.00 0.00 C ATOM 0 H ILE A 41 3.179 -5.300 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 41 5.877 -6.187 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 41 4.248 -4.438 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.575 -6.101 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.942 -6.213 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.345 -5.770 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.516 -5.075 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.084 -6.798 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.862 -8.463 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.504 -8.104 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.132 -7.990 -2.965 1.00 0.00 H new ATOM 581 N ALA A 42 6.828 -3.872 -2.337 1.00 0.00 N ATOM 582 CA ALA A 42 7.465 -2.631 -1.930 1.00 0.00 C ATOM 583 C ALA A 42 8.393 -2.149 -3.046 1.00 0.00 C ATOM 584 O ALA A 42 9.151 -2.935 -3.612 1.00 0.00 O ATOM 585 CB ALA A 42 8.206 -2.847 -0.609 1.00 0.00 C ATOM 0 H ALA A 42 7.418 -4.492 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 42 6.719 -1.854 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.684 -1.916 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.498 -3.160 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.965 -3.619 -0.739 1.00 0.00 H new ATOM 591 N THR A 43 8.302 -0.858 -3.331 1.00 0.00 N ATOM 592 CA THR A 43 9.124 -0.261 -4.370 1.00 0.00 C ATOM 593 C THR A 43 10.532 0.020 -3.841 1.00 0.00 C ATOM 594 O THR A 43 10.699 0.400 -2.684 1.00 0.00 O ATOM 595 CB THR A 43 8.406 0.990 -4.881 1.00 0.00 C ATOM 596 OG1 THR A 43 7.276 0.479 -5.584 1.00 0.00 O ATOM 597 CG2 THR A 43 9.209 1.729 -5.954 1.00 0.00 C ATOM 0 H THR A 43 7.672 -0.209 -2.860 1.00 0.00 H new ATOM 0 HA THR A 43 9.257 -0.943 -5.210 1.00 0.00 H new ATOM 0 HB THR A 43 8.211 1.663 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.753 1.224 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.655 2.608 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.169 2.038 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.376 1.067 -6.804 1.00 0.00 H new ATOM 605 N LEU A 44 11.508 -0.179 -4.715 1.00 0.00 N ATOM 606 CA LEU A 44 12.896 0.048 -4.350 1.00 0.00 C ATOM 607 C LEU A 44 13.301 1.465 -4.760 1.00 0.00 C ATOM 608 O LEU A 44 12.722 2.038 -5.682 1.00 0.00 O ATOM 609 CB LEU A 44 13.791 -1.043 -4.942 1.00 0.00 C ATOM 610 CG LEU A 44 14.792 -1.685 -3.980 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.439 -2.922 -4.606 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.834 -0.667 -3.514 1.00 0.00 C ATOM 0 H LEU A 44 11.365 -0.495 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 44 13.022 -0.020 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.153 -1.828 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.344 -0.617 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 44 14.250 -2.019 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.146 -3.359 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.668 -3.654 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.965 -2.636 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.534 -1.149 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.377 -0.281 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.335 0.156 -3.002 1.00 0.00 H new ATOM 624 N LYS A 45 14.292 1.990 -4.055 1.00 0.00 N ATOM 625 CA LYS A 45 14.781 3.330 -4.333 1.00 0.00 C ATOM 626 C LYS A 45 15.609 3.308 -5.620 1.00 0.00 C ATOM 627 O LYS A 45 16.031 4.355 -6.109 1.00 0.00 O ATOM 628 CB LYS A 45 15.537 3.886 -3.125 1.00 0.00 C ATOM 629 CG LYS A 45 14.674 4.883 -2.350 1.00 0.00 C ATOM 630 CD LYS A 45 14.063 4.230 -1.108 1.00 0.00 C ATOM 631 CE LYS A 45 13.980 5.226 0.050 1.00 0.00 C ATOM 632 NZ LYS A 45 13.353 6.490 -0.396 1.00 0.00 N ATOM 0 H LYS A 45 14.770 1.512 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 45 13.948 4.013 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.832 3.068 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.453 4.374 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.279 5.740 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.880 5.260 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.067 3.856 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.665 3.371 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.401 4.795 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.979 5.426 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.530 7.233 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.760 6.776 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.328 6.350 -0.502 1.00 0.00 H new ATOM 646 N ASN A 46 15.817 2.104 -6.132 1.00 0.00 N ATOM 647 CA ASN A 46 16.586 1.933 -7.353 1.00 0.00 C ATOM 648 C ASN A 46 15.630 1.810 -8.541 1.00 0.00 C ATOM 649 O ASN A 46 16.059 1.838 -9.693 1.00 0.00 O ATOM 650 CB ASN A 46 17.434 0.660 -7.295 1.00 0.00 C ATOM 651 CG ASN A 46 17.447 -0.051 -8.650 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.922 0.466 -9.647 1.00 0.00 O ATOM 653 ND2 ASN A 46 16.901 -1.264 -8.629 1.00 0.00 N ATOM 0 H ASN A 46 15.466 1.238 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 46 17.240 2.798 -7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.453 0.911 -7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.039 -0.010 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.862 -1.821 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.521 -1.637 -7.759 1.00 0.00 H new ATOM 660 N GLY A 47 14.351 1.677 -8.219 1.00 0.00 N ATOM 661 CA GLY A 47 13.330 1.550 -9.245 1.00 0.00 C ATOM 662 C GLY A 47 12.746 0.136 -9.265 1.00 0.00 C ATOM 663 O GLY A 47 11.717 -0.105 -9.895 1.00 0.00 O ATOM 0 H GLY A 47 13.999 1.654 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.535 2.273 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.758 1.785 -10.220 1.00 0.00 H new ATOM 667 N GLN A 48 13.428 -0.761 -8.569 1.00 0.00 N ATOM 668 CA GLN A 48 12.989 -2.145 -8.499 1.00 0.00 C ATOM 669 C GLN A 48 11.916 -2.308 -7.421 1.00 0.00 C ATOM 670 O GLN A 48 11.427 -1.321 -6.872 1.00 0.00 O ATOM 671 CB GLN A 48 14.171 -3.082 -8.242 1.00 0.00 C ATOM 672 CG GLN A 48 14.830 -3.507 -9.556 1.00 0.00 C ATOM 673 CD GLN A 48 15.976 -4.488 -9.302 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.904 -4.219 -8.558 1.00 0.00 O ATOM 675 NE2 GLN A 48 15.860 -5.638 -9.960 1.00 0.00 N ATOM 0 H GLN A 48 14.281 -0.557 -8.049 1.00 0.00 H new ATOM 0 HA GLN A 48 12.554 -2.417 -9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.904 -2.583 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.829 -3.964 -7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.088 -3.970 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.208 -2.628 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.057 -5.799 -10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.574 -6.359 -9.857 1.00 0.00 H new ATOM 684 N LYS A 49 11.579 -3.560 -7.150 1.00 0.00 N ATOM 685 CA LYS A 49 10.573 -3.865 -6.148 1.00 0.00 C ATOM 686 C LYS A 49 10.980 -5.130 -5.390 1.00 0.00 C ATOM 687 O LYS A 49 11.564 -6.044 -5.969 1.00 0.00 O ATOM 688 CB LYS A 49 9.186 -3.952 -6.790 1.00 0.00 C ATOM 689 CG LYS A 49 8.860 -2.675 -7.566 1.00 0.00 C ATOM 690 CD LYS A 49 9.336 -2.778 -9.016 1.00 0.00 C ATOM 691 CE LYS A 49 9.261 -1.419 -9.716 1.00 0.00 C ATOM 692 NZ LYS A 49 7.851 -1.047 -9.974 1.00 0.00 N ATOM 0 H LYS A 49 11.986 -4.376 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 49 10.510 -3.061 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.145 -4.810 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.434 -4.115 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.785 -2.496 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.335 -1.821 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.361 -3.148 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.723 -3.502 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.737 -0.658 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.812 -1.456 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.817 -0.123 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.408 -1.765 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.336 -0.992 -9.072 1.00 0.00 H new ATOM 706 N ALA A 50 10.656 -5.142 -4.105 1.00 0.00 N ATOM 707 CA ALA A 50 10.981 -6.279 -3.262 1.00 0.00 C ATOM 708 C ALA A 50 9.711 -6.770 -2.563 1.00 0.00 C ATOM 709 O ALA A 50 9.160 -6.077 -1.710 1.00 0.00 O ATOM 710 CB ALA A 50 12.076 -5.883 -2.269 1.00 0.00 C ATOM 0 H ALA A 50 10.172 -4.382 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 50 11.367 -7.103 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.320 -6.737 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.966 -5.570 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.723 -5.060 -1.648 1.00 0.00 H new ATOM 716 N CYS A 51 9.284 -7.963 -2.952 1.00 0.00 N ATOM 717 CA CYS A 51 8.089 -8.554 -2.374 1.00 0.00 C ATOM 718 C CYS A 51 8.370 -8.863 -0.902 1.00 0.00 C ATOM 719 O CYS A 51 9.440 -9.367 -0.563 1.00 0.00 O ATOM 720 CB CYS A 51 7.645 -9.800 -3.144 1.00 0.00 C ATOM 721 SG CYS A 51 6.242 -9.535 -4.288 1.00 0.00 S ATOM 0 H CYS A 51 9.744 -8.536 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 51 7.261 -7.849 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.493 -10.180 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.370 -10.574 -2.427 1.00 0.00 H new ATOM 726 N LEU A 52 7.391 -8.549 -0.067 1.00 0.00 N ATOM 727 CA LEU A 52 7.519 -8.787 1.361 1.00 0.00 C ATOM 728 C LEU A 52 6.561 -9.905 1.776 1.00 0.00 C ATOM 729 O LEU A 52 5.563 -10.154 1.101 1.00 0.00 O ATOM 730 CB LEU A 52 7.321 -7.485 2.141 1.00 0.00 C ATOM 731 CG LEU A 52 8.225 -6.318 1.740 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.585 -4.978 2.104 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.621 -6.472 2.349 1.00 0.00 C ATOM 0 H LEU A 52 6.505 -8.132 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 52 8.527 -9.126 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.284 -7.171 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.477 -7.692 3.200 1.00 0.00 H new ATOM 0 HG LEU A 52 8.343 -6.334 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.249 -4.166 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.633 -4.876 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.417 -4.935 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.244 -5.630 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.543 -6.496 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.071 -7.400 1.997 1.00 0.00 H new ATOM 745 N ASN A 53 6.897 -10.548 2.884 1.00 0.00 N ATOM 746 CA ASN A 53 6.078 -11.634 3.397 1.00 0.00 C ATOM 747 C ASN A 53 5.042 -11.069 4.370 1.00 0.00 C ATOM 748 O ASN A 53 5.399 -10.482 5.391 1.00 0.00 O ATOM 749 CB ASN A 53 6.930 -12.656 4.153 1.00 0.00 C ATOM 750 CG ASN A 53 6.065 -13.794 4.697 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.044 -14.156 4.136 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.528 -14.336 5.820 1.00 0.00 N ATOM 0 H ASN A 53 7.725 -10.338 3.441 1.00 0.00 H new ATOM 0 HA ASN A 53 5.596 -12.123 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.694 -13.060 3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.450 -12.164 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.021 -15.102 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.390 -13.985 6.238 1.00 0.00 H new ATOM 759 N PRO A 54 3.746 -11.272 4.012 1.00 0.00 N ATOM 760 CA PRO A 54 2.655 -10.790 4.842 1.00 0.00 C ATOM 761 C PRO A 54 2.484 -11.665 6.085 1.00 0.00 C ATOM 762 O PRO A 54 1.629 -11.394 6.926 1.00 0.00 O ATOM 763 CB PRO A 54 1.436 -10.801 3.935 1.00 0.00 C ATOM 764 CG PRO A 54 1.786 -11.722 2.777 1.00 0.00 C ATOM 765 CD PRO A 54 3.286 -11.963 2.811 1.00 0.00 C ATOM 0 HA PRO A 54 2.834 -9.788 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.556 -11.161 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.205 -9.797 3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.246 -12.665 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.493 -11.271 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.515 -13.028 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.771 -11.569 1.918 1.00 0.00 H new ATOM 773 N ALA A 55 3.312 -12.697 6.162 1.00 0.00 N ATOM 774 CA ALA A 55 3.263 -13.614 7.288 1.00 0.00 C ATOM 775 C ALA A 55 4.407 -13.292 8.252 1.00 0.00 C ATOM 776 O ALA A 55 4.642 -14.027 9.210 1.00 0.00 O ATOM 777 CB ALA A 55 3.319 -15.054 6.776 1.00 0.00 C ATOM 0 H ALA A 55 4.021 -12.918 5.463 1.00 0.00 H new ATOM 0 HA ALA A 55 2.328 -13.500 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.282 -15.742 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.469 -15.240 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.246 -15.208 6.223 1.00 0.00 H new ATOM 783 N SER A 56 5.089 -12.193 7.965 1.00 0.00 N ATOM 784 CA SER A 56 6.203 -11.765 8.794 1.00 0.00 C ATOM 785 C SER A 56 5.795 -10.552 9.632 1.00 0.00 C ATOM 786 O SER A 56 5.081 -9.673 9.152 1.00 0.00 O ATOM 787 CB SER A 56 7.429 -11.434 7.941 1.00 0.00 C ATOM 788 OG SER A 56 8.419 -10.725 8.682 1.00 0.00 O ATOM 0 H SER A 56 4.892 -11.586 7.170 1.00 0.00 H new ATOM 0 HA SER A 56 6.469 -12.586 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.859 -12.357 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.123 -10.837 7.082 1.00 0.00 H new ATOM 0 HG SER A 56 9.229 -10.630 8.138 1.00 0.00 H new ATOM 794 N PRO A 57 6.280 -10.542 10.903 1.00 0.00 N ATOM 795 CA PRO A 57 5.973 -9.451 11.812 1.00 0.00 C ATOM 796 C PRO A 57 6.780 -8.200 11.458 1.00 0.00 C ATOM 797 O PRO A 57 6.278 -7.082 11.568 1.00 0.00 O ATOM 798 CB PRO A 57 6.292 -9.991 13.197 1.00 0.00 C ATOM 799 CG PRO A 57 7.199 -11.191 12.977 1.00 0.00 C ATOM 800 CD PRO A 57 7.128 -11.566 11.505 1.00 0.00 C ATOM 0 HA PRO A 57 4.932 -9.134 11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.786 -9.235 13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.382 -10.280 13.723 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.224 -10.952 13.261 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.883 -12.028 13.600 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.119 -11.577 11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.704 -12.561 11.370 1.00 0.00 H new ATOM 808 N MET A 58 8.016 -8.430 11.041 1.00 0.00 N ATOM 809 CA MET A 58 8.896 -7.335 10.671 1.00 0.00 C ATOM 810 C MET A 58 8.383 -6.617 9.421 1.00 0.00 C ATOM 811 O MET A 58 8.702 -5.451 9.195 1.00 0.00 O ATOM 812 CB MET A 58 10.303 -7.877 10.407 1.00 0.00 C ATOM 813 CG MET A 58 11.367 -6.841 10.772 1.00 0.00 C ATOM 814 SD MET A 58 12.466 -7.505 12.012 1.00 0.00 S ATOM 815 CE MET A 58 11.379 -7.492 13.428 1.00 0.00 C ATOM 0 H MET A 58 8.429 -9.358 10.951 1.00 0.00 H new ATOM 0 HA MET A 58 8.920 -6.620 11.493 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.461 -8.786 10.987 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.401 -8.149 9.356 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.934 -6.562 9.884 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.891 -5.934 11.145 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.925 -7.828 14.309 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.010 -6.480 13.594 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.537 -8.160 13.246 1.00 0.00 H new ATOM 825 N VAL A 59 7.596 -7.344 8.641 1.00 0.00 N ATOM 826 CA VAL A 59 7.035 -6.792 7.420 1.00 0.00 C ATOM 827 C VAL A 59 5.892 -5.838 7.774 1.00 0.00 C ATOM 828 O VAL A 59 5.308 -5.210 6.893 1.00 0.00 O ATOM 829 CB VAL A 59 6.602 -7.922 6.484 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.473 -7.466 5.558 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.791 -8.453 5.680 1.00 0.00 C ATOM 0 H VAL A 59 7.334 -8.311 8.831 1.00 0.00 H new ATOM 0 HA VAL A 59 7.787 -6.214 6.883 1.00 0.00 H new ATOM 0 HB VAL A 59 6.221 -8.738 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.185 -8.289 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.614 -7.159 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.815 -6.625 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.456 -9.255 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.215 -7.647 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.550 -8.836 6.362 1.00 0.00 H new ATOM 841 N LYS A 60 5.607 -5.761 9.066 1.00 0.00 N ATOM 842 CA LYS A 60 4.545 -4.895 9.548 1.00 0.00 C ATOM 843 C LYS A 60 5.159 -3.650 10.189 1.00 0.00 C ATOM 844 O LYS A 60 4.442 -2.804 10.723 1.00 0.00 O ATOM 845 CB LYS A 60 3.606 -5.666 10.478 1.00 0.00 C ATOM 846 CG LYS A 60 3.197 -7.004 9.858 1.00 0.00 C ATOM 847 CD LYS A 60 2.189 -6.799 8.726 1.00 0.00 C ATOM 848 CE LYS A 60 0.805 -6.453 9.280 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.093 -7.626 9.200 1.00 0.00 N ATOM 0 H LYS A 60 6.094 -6.285 9.794 1.00 0.00 H new ATOM 0 HA LYS A 60 3.926 -4.554 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.098 -5.840 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.717 -5.068 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.080 -7.516 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.763 -7.646 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.532 -6.000 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.127 -7.704 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.893 -6.125 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.379 -5.622 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.028 -7.374 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.191 -7.921 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.307 -8.408 9.756 1.00 0.00 H new ATOM 863 N LYS A 61 6.480 -3.575 10.115 1.00 0.00 N ATOM 864 CA LYS A 61 7.199 -2.447 10.682 1.00 0.00 C ATOM 865 C LYS A 61 7.944 -1.711 9.567 1.00 0.00 C ATOM 866 O LYS A 61 8.377 -0.574 9.750 1.00 0.00 O ATOM 867 CB LYS A 61 8.103 -2.908 11.826 1.00 0.00 C ATOM 868 CG LYS A 61 9.437 -3.435 11.293 1.00 0.00 C ATOM 869 CD LYS A 61 10.559 -2.422 11.527 1.00 0.00 C ATOM 870 CE LYS A 61 11.671 -3.024 12.389 1.00 0.00 C ATOM 871 NZ LYS A 61 12.809 -2.084 12.498 1.00 0.00 N ATOM 0 H LYS A 61 7.071 -4.278 9.671 1.00 0.00 H new ATOM 0 HA LYS A 61 6.503 -1.735 11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.283 -2.078 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.602 -3.689 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.683 -4.376 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.349 -3.646 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.970 -2.101 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.156 -1.534 12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.285 -3.254 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.009 -3.964 11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.555 -2.508 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.187 -1.885 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.486 -1.197 12.935 1.00 0.00 H new ATOM 885 N ILE A 62 8.072 -2.390 8.436 1.00 0.00 N ATOM 886 CA ILE A 62 8.758 -1.815 7.291 1.00 0.00 C ATOM 887 C ILE A 62 7.743 -1.092 6.404 1.00 0.00 C ATOM 888 O ILE A 62 8.119 -0.282 5.557 1.00 0.00 O ATOM 889 CB ILE A 62 9.565 -2.887 6.556 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.615 -3.511 7.477 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.187 -2.324 5.276 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.903 -4.960 7.077 1.00 0.00 C ATOM 0 H ILE A 62 7.712 -3.333 8.288 1.00 0.00 H new ATOM 0 HA ILE A 62 9.484 -1.070 7.616 1.00 0.00 H new ATOM 0 HB ILE A 62 8.883 -3.684 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.535 -2.928 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.265 -3.477 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.755 -3.106 4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.398 -1.966 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.852 -1.498 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.653 -5.380 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.986 -5.545 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.276 -4.988 6.053 1.00 0.00 H new ATOM 904 N ILE A 63 6.477 -1.411 6.628 1.00 0.00 N ATOM 905 CA ILE A 63 5.404 -0.802 5.859 1.00 0.00 C ATOM 906 C ILE A 63 4.880 0.425 6.607 1.00 0.00 C ATOM 907 O ILE A 63 4.866 1.529 6.063 1.00 0.00 O ATOM 908 CB ILE A 63 4.323 -1.835 5.537 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.821 -2.845 4.501 1.00 0.00 C ATOM 910 CG2 ILE A 63 3.027 -1.152 5.094 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.024 -4.149 4.581 1.00 0.00 C ATOM 0 H ILE A 63 6.170 -2.083 7.331 1.00 0.00 H new ATOM 0 HA ILE A 63 5.775 -0.453 4.895 1.00 0.00 H new ATOM 0 HB ILE A 63 4.100 -2.391 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.731 -2.420 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.879 -3.050 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.275 -1.909 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.665 -0.505 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.217 -0.555 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.397 -4.850 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.136 -4.583 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.970 -3.944 4.391 1.00 0.00 H new ATOM 923 N GLU A 64 4.461 0.192 7.842 1.00 0.00 N ATOM 924 CA GLU A 64 3.936 1.264 8.669 1.00 0.00 C ATOM 925 C GLU A 64 4.929 2.427 8.723 1.00 0.00 C ATOM 926 O GLU A 64 4.529 3.590 8.739 1.00 0.00 O ATOM 927 CB GLU A 64 3.605 0.760 10.076 1.00 0.00 C ATOM 928 CG GLU A 64 2.452 -0.245 10.040 1.00 0.00 C ATOM 929 CD GLU A 64 2.479 -1.153 11.271 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.253 -0.830 12.199 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.726 -2.150 11.257 1.00 0.00 O ATOM 0 H GLU A 64 4.475 -0.724 8.290 1.00 0.00 H new ATOM 0 HA GLU A 64 3.010 1.623 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.486 0.293 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.339 1.602 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.502 0.287 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.520 -0.850 9.136 1.00 0.00 H new ATOM 938 N LYS A 65 6.206 2.073 8.751 1.00 0.00 N ATOM 939 CA LYS A 65 7.259 3.072 8.803 1.00 0.00 C ATOM 940 C LYS A 65 7.331 3.802 7.460 1.00 0.00 C ATOM 941 O LYS A 65 7.601 5.001 7.415 1.00 0.00 O ATOM 942 CB LYS A 65 8.583 2.434 9.228 1.00 0.00 C ATOM 943 CG LYS A 65 8.740 2.456 10.750 1.00 0.00 C ATOM 944 CD LYS A 65 10.217 2.454 11.149 1.00 0.00 C ATOM 945 CE LYS A 65 10.444 3.286 12.413 1.00 0.00 C ATOM 946 NZ LYS A 65 11.778 3.926 12.379 1.00 0.00 N ATOM 0 H LYS A 65 6.535 1.107 8.739 1.00 0.00 H new ATOM 0 HA LYS A 65 7.035 3.822 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.627 1.406 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.413 2.968 8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.251 3.341 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.241 1.589 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.550 1.430 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.819 2.854 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.670 4.049 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.362 2.650 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.916 4.487 13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.513 3.193 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.843 4.549 11.549 1.00 0.00 H new ATOM 960 N MET A 66 7.084 3.047 6.399 1.00 0.00 N ATOM 961 CA MET A 66 7.117 3.607 5.059 1.00 0.00 C ATOM 962 C MET A 66 6.093 4.734 4.910 1.00 0.00 C ATOM 963 O MET A 66 6.369 5.747 4.270 1.00 0.00 O ATOM 964 CB MET A 66 6.818 2.507 4.039 1.00 0.00 C ATOM 965 CG MET A 66 8.004 2.296 3.095 1.00 0.00 C ATOM 966 SD MET A 66 8.283 3.770 2.127 1.00 0.00 S ATOM 967 CE MET A 66 6.616 4.101 1.581 1.00 0.00 C ATOM 0 H MET A 66 6.860 2.053 6.441 1.00 0.00 H new ATOM 0 HA MET A 66 8.110 4.019 4.882 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.592 1.576 4.559 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.932 2.772 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.898 2.054 3.669 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.809 1.450 2.436 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.641 4.548 0.587 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.053 3.168 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.135 4.789 2.276 1.00 0.00 H new ATOM 977 N LEU A 67 4.933 4.519 5.512 1.00 0.00 N ATOM 978 CA LEU A 67 3.866 5.504 5.454 1.00 0.00 C ATOM 979 C LEU A 67 4.275 6.740 6.258 1.00 0.00 C ATOM 980 O LEU A 67 3.670 7.802 6.122 1.00 0.00 O ATOM 981 CB LEU A 67 2.541 4.887 5.906 1.00 0.00 C ATOM 982 CG LEU A 67 1.832 3.998 4.883 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.763 2.894 4.376 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.531 3.432 5.456 1.00 0.00 C ATOM 0 H LEU A 67 4.708 3.677 6.042 1.00 0.00 H new ATOM 0 HA LEU A 67 3.704 5.830 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.725 4.298 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.864 5.694 6.187 1.00 0.00 H new ATOM 0 HG LEU A 67 1.565 4.613 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.234 2.277 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.636 3.343 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.083 2.275 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.047 2.804 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.752 2.837 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.134 4.252 5.727 1.00 0.00 H new ATOM 996 N LYS A 68 5.299 6.560 7.080 1.00 0.00 N ATOM 997 CA LYS A 68 5.795 7.647 7.906 1.00 0.00 C ATOM 998 C LYS A 68 7.070 8.216 7.280 1.00 0.00 C ATOM 999 O LYS A 68 7.385 9.391 7.464 1.00 0.00 O ATOM 1000 CB LYS A 68 5.975 7.182 9.352 1.00 0.00 C ATOM 1001 CG LYS A 68 4.836 7.691 10.238 1.00 0.00 C ATOM 1002 CD LYS A 68 5.268 7.759 11.703 1.00 0.00 C ATOM 1003 CE LYS A 68 4.646 8.969 12.403 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.370 10.207 12.038 1.00 0.00 N ATOM 0 H LYS A 68 5.798 5.678 7.191 1.00 0.00 H new ATOM 0 HA LYS A 68 5.068 8.458 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.008 6.093 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.929 7.542 9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.523 8.679 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.973 7.033 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.970 6.845 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.355 7.819 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.596 9.059 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.677 8.827 13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.968 11.011 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.376 10.105 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.275 10.376 11.016 1.00 0.00 H new ATOM 1018 N ASN A 69 7.770 7.356 6.554 1.00 0.00 N ATOM 1019 CA ASN A 69 9.003 7.759 5.900 1.00 0.00 C ATOM 1020 C ASN A 69 10.018 8.193 6.959 1.00 0.00 C ATOM 1021 O ASN A 69 10.934 7.442 7.292 1.00 0.00 O ATOM 1022 CB ASN A 69 8.767 8.941 4.958 1.00 0.00 C ATOM 1023 CG ASN A 69 10.093 9.500 4.437 1.00 0.00 C ATOM 1024 OD1 ASN A 69 10.683 10.402 5.008 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.526 8.916 3.324 1.00 0.00 N ATOM 0 H ASN A 69 7.506 6.382 6.405 1.00 0.00 H new ATOM 0 HA ASN A 69 9.373 6.910 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.147 8.624 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.219 9.724 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.402 9.218 2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.983 8.166 2.897 1.00 0.00 H new ATOM 1032 N GLY A 70 9.822 9.404 7.459 1.00 0.00 N ATOM 1033 CA GLY A 70 10.709 9.948 8.474 1.00 0.00 C ATOM 1034 C GLY A 70 11.418 11.205 7.966 1.00 0.00 C ATOM 1035 O GLY A 70 10.769 12.193 7.625 1.00 0.00 O ATOM 0 H GLY A 70 9.062 10.024 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.138 10.186 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.448 9.198 8.756 1.00 0.00 H new ATOM 1039 N LYS A 71 12.740 11.127 7.931 1.00 0.00 N ATOM 1040 CA LYS A 71 13.544 12.246 7.471 1.00 0.00 C ATOM 1041 C LYS A 71 13.513 12.296 5.942 1.00 0.00 C ATOM 1042 O LYS A 71 13.062 13.281 5.358 1.00 0.00 O ATOM 1043 CB LYS A 71 14.956 12.168 8.055 1.00 0.00 C ATOM 1044 CG LYS A 71 15.510 13.566 8.337 1.00 0.00 C ATOM 1045 CD LYS A 71 17.021 13.615 8.099 1.00 0.00 C ATOM 1046 CE LYS A 71 17.385 14.724 7.109 1.00 0.00 C ATOM 1047 NZ LYS A 71 17.575 14.165 5.752 1.00 0.00 N ATOM 0 H LYS A 71 13.275 10.306 8.214 1.00 0.00 H new ATOM 0 HA LYS A 71 13.127 13.187 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.941 11.586 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.613 11.646 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.013 14.294 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.291 13.847 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.536 13.783 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.364 12.654 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.597 15.477 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.297 15.225 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.821 14.931 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.342 13.463 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.695 13.708 5.438 1.00 0.00 H new ATOM 1061 N SER A 72 13.997 11.222 5.337 1.00 0.00 N ATOM 1062 CA SER A 72 14.031 11.130 3.887 1.00 0.00 C ATOM 1063 C SER A 72 14.621 9.785 3.461 1.00 0.00 C ATOM 1064 O SER A 72 13.996 9.040 2.707 1.00 0.00 O ATOM 1065 CB SER A 72 14.839 12.280 3.281 1.00 0.00 C ATOM 1066 OG SER A 72 14.796 12.270 1.857 1.00 0.00 O ATOM 0 H SER A 72 14.369 10.407 5.825 1.00 0.00 H new ATOM 0 HA SER A 72 13.009 11.204 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.450 13.230 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.875 12.210 3.613 1.00 0.00 H new ATOM 0 HG SER A 72 15.452 11.628 1.514 1.00 0.00 H new ATOM 1072 N ASN A 73 15.817 9.514 3.962 1.00 0.00 N ATOM 1073 CA ASN A 73 16.498 8.271 3.642 1.00 0.00 C ATOM 1074 C ASN A 73 17.767 8.157 4.490 1.00 0.00 C ATOM 1075 O ASN A 73 18.177 9.123 5.132 1.00 0.00 O ATOM 1076 CB ASN A 73 16.908 8.230 2.169 1.00 0.00 C ATOM 1077 CG ASN A 73 17.234 9.633 1.652 1.00 0.00 C ATOM 1078 OD1 ASN A 73 16.452 10.265 0.961 1.00 0.00 O ATOM 1079 ND2 ASN A 73 18.429 10.082 2.023 1.00 0.00 N ATOM 0 H ASN A 73 16.332 10.134 4.587 1.00 0.00 H new ATOM 0 HA ASN A 73 15.813 7.449 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 73 17.776 7.583 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 73 16.103 7.798 1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.740 11.008 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.035 9.501 2.603 1.00 0.00 H new TER 1086 ASN A 73 ATOM 1087 N THR B 5 15.381 15.428 -11.359 1.00 0.00 N ATOM 1088 CA THR B 5 15.801 16.625 -10.651 1.00 0.00 C ATOM 1089 C THR B 5 14.584 17.388 -10.125 1.00 0.00 C ATOM 1090 O THR B 5 14.412 17.532 -8.915 1.00 0.00 O ATOM 1091 CB THR B 5 16.674 17.452 -11.597 1.00 0.00 C ATOM 1092 OG1 THR B 5 17.829 16.643 -11.800 1.00 0.00 O ATOM 1093 CG2 THR B 5 17.219 18.719 -10.934 1.00 0.00 C ATOM 0 HA THR B 5 16.395 16.376 -9.771 1.00 0.00 H new ATOM 0 HB THR B 5 16.095 17.724 -12.480 1.00 0.00 H new ATOM 0 HG1 THR B 5 17.573 15.697 -11.782 1.00 0.00 H new ATOM 0 HG21 THR B 5 17.832 19.269 -11.649 1.00 0.00 H new ATOM 0 HG22 THR B 5 16.388 19.346 -10.610 1.00 0.00 H new ATOM 0 HG23 THR B 5 17.826 18.446 -10.071 1.00 0.00 H new ATOM 1101 N GLU B 6 13.770 17.857 -11.059 1.00 0.00 N ATOM 1102 CA GLU B 6 12.573 18.601 -10.705 1.00 0.00 C ATOM 1103 C GLU B 6 11.332 17.724 -10.876 1.00 0.00 C ATOM 1104 O GLU B 6 10.620 17.838 -11.874 1.00 0.00 O ATOM 1105 CB GLU B 6 12.459 19.882 -11.534 1.00 0.00 C ATOM 1106 CG GLU B 6 11.591 20.921 -10.821 1.00 0.00 C ATOM 1107 CD GLU B 6 10.805 21.763 -11.828 1.00 0.00 C ATOM 1108 OE1 GLU B 6 9.739 21.277 -12.265 1.00 0.00 O ATOM 1109 OE2 GLU B 6 11.287 22.873 -12.139 1.00 0.00 O ATOM 0 H GLU B 6 13.916 17.736 -12.061 1.00 0.00 H new ATOM 0 HA GLU B 6 12.646 18.891 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.452 20.294 -11.712 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.030 19.651 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU B 6 10.900 20.420 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU B 6 12.221 21.570 -10.212 1.00 0.00 H new ATOM 1116 N LEU B 7 11.109 16.869 -9.889 1.00 0.00 N ATOM 1117 CA LEU B 7 9.966 15.973 -9.918 1.00 0.00 C ATOM 1118 C LEU B 7 8.900 16.481 -8.945 1.00 0.00 C ATOM 1119 O LEU B 7 9.147 17.410 -8.178 1.00 0.00 O ATOM 1120 CB LEU B 7 10.407 14.533 -9.651 1.00 0.00 C ATOM 1121 CG LEU B 7 11.315 13.902 -10.709 1.00 0.00 C ATOM 1122 CD1 LEU B 7 12.788 14.174 -10.399 1.00 0.00 C ATOM 1123 CD2 LEU B 7 11.027 12.407 -10.859 1.00 0.00 C ATOM 0 H LEU B 7 11.701 16.778 -9.064 1.00 0.00 H new ATOM 0 HA LEU B 7 9.514 15.964 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.925 14.505 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU B 7 9.516 13.914 -9.550 1.00 0.00 H new ATOM 0 HG LEU B 7 11.096 14.369 -11.669 1.00 0.00 H new ATOM 0 HD11 LEU B 7 13.412 13.715 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU B 7 12.964 15.250 -10.384 1.00 0.00 H new ATOM 0 HD13 LEU B 7 13.039 13.752 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU B 7 11.686 11.984 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU B 7 11.200 11.906 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.989 12.265 -11.160 1.00 0.00 H new ATOM 1135 N ARG B 8 7.738 15.847 -9.007 1.00 0.00 N ATOM 1136 CA ARG B 8 6.634 16.223 -8.140 1.00 0.00 C ATOM 1137 C ARG B 8 5.970 14.975 -7.554 1.00 0.00 C ATOM 1138 O ARG B 8 6.644 13.987 -7.266 1.00 0.00 O ATOM 1139 CB ARG B 8 5.588 17.039 -8.902 1.00 0.00 C ATOM 1140 CG ARG B 8 6.255 18.049 -9.838 1.00 0.00 C ATOM 1141 CD ARG B 8 6.165 17.590 -11.295 1.00 0.00 C ATOM 1142 NE ARG B 8 6.807 18.587 -12.180 1.00 0.00 N ATOM 1143 CZ ARG B 8 6.304 19.803 -12.431 1.00 0.00 C ATOM 1144 NH1 ARG B 8 5.150 20.181 -11.864 1.00 0.00 N ATOM 1145 NH2 ARG B 8 6.956 20.642 -13.248 1.00 0.00 N ATOM 0 H ARG B 8 7.537 15.076 -9.644 1.00 0.00 H new ATOM 0 HA ARG B 8 7.039 16.835 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.949 16.370 -9.479 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.945 17.563 -8.195 1.00 0.00 H new ATOM 0 HG2 ARG B 8 5.776 19.022 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.301 18.175 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.652 16.622 -11.411 1.00 0.00 H new ATOM 0 HD3 ARG B 8 5.121 17.458 -11.579 1.00 0.00 H new ATOM 0 HE ARG B 8 7.688 18.332 -12.627 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.655 19.543 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.767 21.107 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.835 20.355 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG B 8 6.573 21.568 -13.439 1.00 0.00 H new ATOM 1159 N CYS B 9 4.658 15.061 -7.396 1.00 0.00 N ATOM 1160 CA CYS B 9 3.895 13.951 -6.850 1.00 0.00 C ATOM 1161 C CYS B 9 3.216 13.219 -8.009 1.00 0.00 C ATOM 1162 O CYS B 9 3.207 13.709 -9.137 1.00 0.00 O ATOM 1163 CB CYS B 9 2.886 14.420 -5.801 1.00 0.00 C ATOM 1164 SG CYS B 9 3.593 14.734 -4.142 1.00 0.00 S ATOM 0 H CYS B 9 4.103 15.882 -7.636 1.00 0.00 H new ATOM 0 HA CYS B 9 4.565 13.265 -6.332 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.411 15.334 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.102 13.668 -5.710 1.00 0.00 H new ATOM 1169 N GLN B 10 2.662 12.058 -7.691 1.00 0.00 N ATOM 1170 CA GLN B 10 1.982 11.254 -8.691 1.00 0.00 C ATOM 1171 C GLN B 10 0.466 11.429 -8.572 1.00 0.00 C ATOM 1172 O GLN B 10 -0.291 10.865 -9.360 1.00 0.00 O ATOM 1173 CB GLN B 10 2.374 9.780 -8.570 1.00 0.00 C ATOM 1174 CG GLN B 10 2.118 9.035 -9.882 1.00 0.00 C ATOM 1175 CD GLN B 10 1.615 7.615 -9.616 1.00 0.00 C ATOM 1176 OE1 GLN B 10 2.177 7.030 -8.562 1.00 0.00 O flip ATOM 1177 NE2 GLN B 10 0.772 7.085 -10.321 1.00 0.00 N flip ATOM 0 H GLN B 10 2.671 11.655 -6.754 1.00 0.00 H new ATOM 0 HA GLN B 10 2.292 11.599 -9.677 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.428 9.701 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.805 9.314 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.384 9.579 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.037 8.996 -10.467 1.00 0.00 H new ATOM 0 HE21 GLN B 10 0.381 7.591 -11.116 1.00 0.00 H new ATOM 0 HE22 GLN B 10 0.458 6.136 -10.116 1.00 0.00 H new ATOM 1186 N CYS B 11 0.070 12.214 -7.581 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.341 12.471 -7.349 1.00 0.00 C ATOM 1188 C CYS B 11 -1.502 13.936 -6.939 1.00 0.00 C ATOM 1189 O CYS B 11 -0.744 14.439 -6.111 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.925 11.518 -6.304 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.335 10.508 -6.889 1.00 0.00 S ATOM 0 H CYS B 11 0.701 12.680 -6.930 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.902 12.288 -8.266 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.135 10.850 -5.961 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.247 12.101 -5.441 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.494 14.580 -7.537 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.763 15.977 -7.244 1.00 0.00 C ATOM 1198 C LEU B 12 -3.981 16.075 -6.323 1.00 0.00 C ATOM 1199 O LEU B 12 -4.229 17.120 -5.724 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.906 16.778 -8.539 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.898 16.453 -9.644 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.494 16.723 -11.027 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.585 17.208 -9.428 1.00 0.00 C ATOM 0 H LEU B 12 -3.121 14.160 -8.223 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.923 16.423 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.910 16.619 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.822 17.838 -8.298 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.669 15.388 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.757 16.484 -11.794 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.379 16.103 -11.169 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.771 17.774 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.113 16.959 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.777 18.281 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.155 16.923 -8.468 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.709 14.971 -6.238 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.895 14.919 -5.400 1.00 0.00 C ATOM 1217 C GLN B 13 -5.866 13.671 -4.517 1.00 0.00 C ATOM 1218 O GLN B 13 -5.008 12.806 -4.685 1.00 0.00 O ATOM 1219 CB GLN B 13 -7.168 14.962 -6.248 1.00 0.00 C ATOM 1220 CG GLN B 13 -8.287 15.710 -5.521 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.900 16.787 -6.417 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.476 16.512 -7.457 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -8.743 18.026 -5.959 1.00 0.00 N ATOM 0 H GLN B 13 -4.500 14.106 -6.736 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.899 15.797 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.959 15.450 -7.200 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.492 13.946 -6.475 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -9.060 15.005 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.893 16.168 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -8.250 18.186 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.115 18.816 -6.486 1.00 0.00 H new ATOM 1232 N THR B 14 -6.816 13.616 -3.594 1.00 0.00 N ATOM 1233 CA THR B 14 -6.910 12.487 -2.684 1.00 0.00 C ATOM 1234 C THR B 14 -8.340 12.344 -2.159 1.00 0.00 C ATOM 1235 O THR B 14 -9.150 13.260 -2.294 1.00 0.00 O ATOM 1236 CB THR B 14 -5.873 12.685 -1.576 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.899 14.087 -1.323 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.445 12.419 -2.057 1.00 0.00 C ATOM 0 H THR B 14 -7.527 14.335 -3.457 1.00 0.00 H new ATOM 0 HA THR B 14 -6.688 11.549 -3.193 1.00 0.00 H new ATOM 0 HB THR B 14 -6.103 12.024 -0.740 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.152 14.327 -0.736 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.749 12.574 -1.233 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.366 11.391 -2.411 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.202 13.103 -2.870 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.607 11.187 -1.571 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.925 10.912 -1.025 1.00 0.00 C ATOM 1248 C LEU B 15 -9.854 10.933 0.503 1.00 0.00 C ATOM 1249 O LEU B 15 -8.960 10.330 1.095 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.480 9.605 -1.597 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.650 9.557 -3.117 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.397 8.147 -3.652 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.023 10.090 -3.532 1.00 0.00 C ATOM 0 H LEU B 15 -7.933 10.429 -1.461 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.630 11.688 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.818 8.791 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.449 9.413 -1.137 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.902 10.211 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.524 8.140 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.381 7.841 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.106 7.453 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.118 10.045 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.803 9.482 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.127 11.123 -3.201 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.808 11.633 1.099 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.865 11.741 2.547 1.00 0.00 C ATOM 1267 C GLN B 16 -11.137 10.370 3.170 1.00 0.00 C ATOM 1268 O GLN B 16 -11.008 10.199 4.382 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.921 12.759 2.980 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.304 12.561 4.448 1.00 0.00 C ATOM 1271 CD GLN B 16 -12.886 13.846 5.041 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -13.834 14.422 4.532 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.267 14.263 6.142 1.00 0.00 N ATOM 0 H GLN B 16 -11.548 12.131 0.605 1.00 0.00 H new ATOM 0 HA GLN B 16 -9.898 12.096 2.904 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.539 13.769 2.833 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.807 12.659 2.353 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.033 11.755 4.532 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.426 12.258 5.019 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.479 13.734 6.516 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.580 15.112 6.613 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.508 9.429 2.315 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.799 8.079 2.767 1.00 0.00 C ATOM 1284 C GLY B 17 -12.989 7.491 2.006 1.00 0.00 C ATOM 1285 O GLY B 17 -14.141 7.771 2.336 1.00 0.00 O ATOM 0 H GLY B 17 -11.614 9.575 1.311 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.923 7.447 2.624 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.014 8.088 3.835 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.670 6.687 1.003 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.699 6.057 0.193 1.00 0.00 C ATOM 1291 C ILE B 18 -13.997 4.662 0.748 1.00 0.00 C ATOM 1292 O ILE B 18 -13.200 4.108 1.504 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.294 6.057 -1.283 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.668 7.381 -1.953 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.892 4.855 -2.016 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -15.186 7.533 -2.059 1.00 0.00 C ATOM 0 H ILE B 18 -11.714 6.457 0.733 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.627 6.627 0.246 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.210 5.961 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -13.255 8.212 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.224 7.427 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.589 4.879 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.535 3.934 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.979 4.894 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -15.424 8.482 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -15.593 6.714 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -15.624 7.511 -1.061 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.145 4.135 0.351 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.558 2.816 0.800 1.00 0.00 C ATOM 1310 C HIS B 19 -14.460 1.799 0.481 1.00 0.00 C ATOM 1311 O HIS B 19 -13.886 1.820 -0.606 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.912 2.436 0.196 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.872 1.816 1.183 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.221 1.660 0.919 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.664 1.315 2.435 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.790 1.090 1.972 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.823 0.878 2.910 1.00 0.00 N ATOM 0 H HIS B 19 -15.803 4.597 -0.277 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.697 2.822 1.881 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.371 3.328 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.749 1.737 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.716 1.280 2.952 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.836 0.838 2.070 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.967 0.453 3.826 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.201 0.933 1.450 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.183 -0.090 1.287 1.00 0.00 C ATOM 1327 C LEU B 20 -13.799 -1.313 0.605 1.00 0.00 C ATOM 1328 O LEU B 20 -13.176 -2.372 0.540 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.518 -0.404 2.629 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.310 -1.341 2.576 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.186 -0.739 1.731 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.836 -1.704 3.985 1.00 0.00 C ATOM 0 H LEU B 20 -14.679 0.919 2.351 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.384 0.269 0.638 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.205 0.535 3.085 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.266 -0.845 3.288 1.00 0.00 H new ATOM 0 HG LEU B 20 -11.617 -2.267 2.090 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.339 -1.425 1.710 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -10.544 -0.573 0.715 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.873 0.210 2.165 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -9.976 -2.371 3.919 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.552 -0.797 4.518 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.642 -2.203 4.523 1.00 0.00 H new ATOM 1344 N LYS B 21 -15.016 -1.127 0.114 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.723 -2.202 -0.561 1.00 0.00 C ATOM 1346 C LYS B 21 -15.328 -2.218 -2.039 1.00 0.00 C ATOM 1347 O LYS B 21 -15.636 -3.168 -2.757 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.230 -2.080 -0.328 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.633 -2.717 1.003 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.285 -4.084 0.782 1.00 0.00 C ATOM 1351 CE LYS B 21 -19.523 -4.250 1.665 1.00 0.00 C ATOM 1352 NZ LYS B 21 -19.334 -5.367 2.618 1.00 0.00 N ATOM 0 H LYS B 21 -15.530 -0.248 0.170 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.436 -3.168 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.518 -1.029 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.768 -2.563 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -16.754 -2.828 1.638 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.326 -2.061 1.529 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.564 -4.193 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.567 -4.874 1.004 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -19.714 -3.326 2.211 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.398 -4.439 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -20.184 -5.466 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -19.174 -6.249 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -18.511 -5.171 3.223 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.652 -1.155 -2.450 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.212 -1.035 -3.829 1.00 0.00 C ATOM 1368 C ASN B 22 -12.695 -1.221 -3.894 1.00 0.00 C ATOM 1369 O ASN B 22 -12.182 -1.849 -4.819 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.543 0.348 -4.395 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.820 0.304 -5.237 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.890 -0.337 -6.272 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.823 1.020 -4.736 1.00 0.00 N ATOM 0 H ASN B 22 -14.398 -0.369 -1.852 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.727 -1.797 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.666 1.059 -3.578 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.713 0.704 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.718 1.055 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.697 1.534 -3.864 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.020 -0.663 -2.900 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.571 -0.760 -2.832 1.00 0.00 C ATOM 1382 C ILE B 23 -10.162 -2.234 -2.842 1.00 0.00 C ATOM 1383 O ILE B 23 -10.691 -3.034 -2.072 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.038 0.018 -1.628 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.837 1.495 -1.974 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.759 -0.622 -1.084 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.460 2.398 -0.908 1.00 0.00 C ATOM 0 H ILE B 23 -12.449 -0.142 -2.135 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.117 -0.297 -3.708 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.784 -0.028 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.772 1.710 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.285 1.709 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.401 -0.049 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.968 -1.646 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.996 -0.628 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.303 3.442 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.529 2.198 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.992 2.199 0.056 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.224 -2.549 -3.723 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.737 -3.913 -3.844 1.00 0.00 C ATOM 1401 C GLN B 24 -7.278 -3.998 -3.391 1.00 0.00 C ATOM 1402 O GLN B 24 -6.799 -5.070 -3.026 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.899 -4.428 -5.275 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.353 -5.889 -5.284 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.431 -6.744 -6.157 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.754 -7.106 -7.276 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.270 -7.046 -5.583 1.00 0.00 N ATOM 0 H GLN B 24 -8.788 -1.883 -4.360 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.336 -4.551 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.627 -3.814 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.953 -4.334 -5.808 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.359 -6.278 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.375 -5.954 -5.656 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.063 -6.710 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.586 -7.614 -6.083 1.00 0.00 H new ATOM 1416 N SER B 25 -6.612 -2.853 -3.430 1.00 0.00 N ATOM 1417 CA SER B 25 -5.218 -2.785 -3.029 1.00 0.00 C ATOM 1418 C SER B 25 -4.881 -1.373 -2.544 1.00 0.00 C ATOM 1419 O SER B 25 -5.638 -0.434 -2.785 1.00 0.00 O ATOM 1420 CB SER B 25 -4.293 -3.186 -4.180 1.00 0.00 C ATOM 1421 OG SER B 25 -4.991 -3.886 -5.206 1.00 0.00 O ATOM 0 H SER B 25 -7.013 -1.965 -3.733 1.00 0.00 H new ATOM 0 HA SER B 25 -5.063 -3.490 -2.212 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.830 -2.294 -4.601 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.488 -3.813 -3.797 1.00 0.00 H new ATOM 0 HG SER B 25 -4.367 -4.123 -5.923 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.745 -1.268 -1.871 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.299 0.013 -1.351 1.00 0.00 C ATOM 1429 C VAL B 26 -1.819 0.209 -1.688 1.00 0.00 C ATOM 1430 O VAL B 26 -1.025 -0.724 -1.578 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.586 0.098 0.150 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.917 1.327 0.768 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.092 0.098 0.420 1.00 0.00 C ATOM 0 H VAL B 26 -3.120 -2.049 -1.674 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.850 0.828 -1.821 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.161 -0.787 0.624 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.137 1.363 1.835 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.839 1.266 0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.298 2.229 0.288 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.269 0.159 1.494 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.550 0.956 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.531 -0.821 0.032 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.493 1.427 -2.093 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.123 1.757 -2.447 1.00 0.00 C ATOM 1445 C LYS B 27 0.268 3.077 -1.780 1.00 0.00 C ATOM 1446 O LYS B 27 -0.430 4.080 -1.924 1.00 0.00 O ATOM 1447 CB LYS B 27 0.051 1.761 -3.967 1.00 0.00 C ATOM 1448 CG LYS B 27 1.500 1.454 -4.353 1.00 0.00 C ATOM 1449 CD LYS B 27 2.418 2.629 -4.012 1.00 0.00 C ATOM 1450 CE LYS B 27 3.105 3.171 -5.268 1.00 0.00 C ATOM 1451 NZ LYS B 27 2.104 3.725 -6.207 1.00 0.00 N ATOM 0 H LYS B 27 -2.154 2.198 -2.184 1.00 0.00 H new ATOM 0 HA LYS B 27 0.561 0.996 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.613 1.022 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.238 2.733 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.838 0.560 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.558 1.240 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.839 3.422 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.170 2.310 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.822 3.945 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.667 2.374 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 2.575 4.362 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.648 2.948 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.385 4.255 -5.675 1.00 0.00 H new ATOM 1465 N VAL B 28 1.382 3.035 -1.064 1.00 0.00 N ATOM 1466 CA VAL B 28 1.874 4.215 -0.374 1.00 0.00 C ATOM 1467 C VAL B 28 3.224 4.622 -0.969 1.00 0.00 C ATOM 1468 O VAL B 28 4.212 3.905 -0.823 1.00 0.00 O ATOM 1469 CB VAL B 28 1.939 3.953 1.131 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.606 5.120 1.863 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.546 3.673 1.700 1.00 0.00 C ATOM 0 H VAL B 28 1.958 2.202 -0.947 1.00 0.00 H new ATOM 0 HA VAL B 28 1.190 5.052 -0.515 1.00 0.00 H new ATOM 0 HB VAL B 28 2.550 3.065 1.290 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.639 4.908 2.932 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.621 5.253 1.488 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.034 6.032 1.692 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.621 3.490 2.772 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.099 4.534 1.523 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.123 2.796 1.211 1.00 0.00 H new ATOM 1481 N LYS B 29 3.222 5.772 -1.628 1.00 0.00 N ATOM 1482 CA LYS B 29 4.434 6.283 -2.245 1.00 0.00 C ATOM 1483 C LYS B 29 4.967 7.455 -1.418 1.00 0.00 C ATOM 1484 O LYS B 29 4.686 8.613 -1.724 1.00 0.00 O ATOM 1485 CB LYS B 29 4.182 6.630 -3.713 1.00 0.00 C ATOM 1486 CG LYS B 29 5.498 6.727 -4.488 1.00 0.00 C ATOM 1487 CD LYS B 29 6.169 8.083 -4.262 1.00 0.00 C ATOM 1488 CE LYS B 29 6.689 8.663 -5.579 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.899 9.482 -5.343 1.00 0.00 N ATOM 0 H LYS B 29 2.400 6.364 -1.748 1.00 0.00 H new ATOM 0 HA LYS B 29 5.210 5.518 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.545 5.870 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.646 7.577 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.169 5.928 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.309 6.584 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.457 8.775 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.994 7.972 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.919 7.855 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.915 9.273 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.239 9.868 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.668 10.264 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.641 8.890 -4.918 1.00 0.00 H new ATOM 1503 N SER B 30 5.727 7.114 -0.388 1.00 0.00 N ATOM 1504 CA SER B 30 6.302 8.124 0.484 1.00 0.00 C ATOM 1505 C SER B 30 6.902 9.257 -0.351 1.00 0.00 C ATOM 1506 O SER B 30 7.099 9.108 -1.555 1.00 0.00 O ATOM 1507 CB SER B 30 7.367 7.518 1.400 1.00 0.00 C ATOM 1508 OG SER B 30 7.924 6.325 0.856 1.00 0.00 O ATOM 0 H SER B 30 5.958 6.153 -0.138 1.00 0.00 H new ATOM 0 HA SER B 30 5.507 8.527 1.112 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.161 8.247 1.564 1.00 0.00 H new ATOM 0 HB3 SER B 30 6.927 7.301 2.373 1.00 0.00 H new ATOM 0 HG SER B 30 8.432 5.855 1.550 1.00 0.00 H new ATOM 1514 N PRO B 31 7.182 10.394 0.341 1.00 0.00 N ATOM 1515 CA PRO B 31 7.755 11.552 -0.324 1.00 0.00 C ATOM 1516 C PRO B 31 9.238 11.331 -0.629 1.00 0.00 C ATOM 1517 O PRO B 31 9.855 10.411 -0.094 1.00 0.00 O ATOM 1518 CB PRO B 31 7.512 12.712 0.627 1.00 0.00 C ATOM 1519 CG PRO B 31 7.230 12.087 1.984 1.00 0.00 C ATOM 1520 CD PRO B 31 6.962 10.607 1.768 1.00 0.00 C ATOM 0 HA PRO B 31 7.299 11.747 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.381 13.368 0.672 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.671 13.320 0.295 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.079 12.228 2.653 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.371 12.566 2.454 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.632 9.992 2.368 1.00 0.00 H new ATOM 0 HD3 PRO B 31 5.944 10.343 2.055 1.00 0.00 H new ATOM 1528 N GLY B 32 9.767 12.189 -1.489 1.00 0.00 N ATOM 1529 CA GLY B 32 11.166 12.099 -1.872 1.00 0.00 C ATOM 1530 C GLY B 32 11.819 13.482 -1.892 1.00 0.00 C ATOM 1531 O GLY B 32 11.316 14.419 -1.273 1.00 0.00 O ATOM 0 H GLY B 32 9.252 12.950 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.697 11.452 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.248 11.640 -2.857 1.00 0.00 H new ATOM 1535 N PRO B 33 12.959 13.569 -2.628 1.00 0.00 N ATOM 1536 CA PRO B 33 13.687 14.822 -2.736 1.00 0.00 C ATOM 1537 C PRO B 33 12.967 15.795 -3.673 1.00 0.00 C ATOM 1538 O PRO B 33 13.451 16.899 -3.918 1.00 0.00 O ATOM 1539 CB PRO B 33 15.069 14.432 -3.233 1.00 0.00 C ATOM 1540 CG PRO B 33 14.922 13.041 -3.826 1.00 0.00 C ATOM 1541 CD PRO B 33 13.584 12.480 -3.374 1.00 0.00 C ATOM 0 HA PRO B 33 13.755 15.353 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.429 15.139 -3.980 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.792 14.434 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.970 13.083 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.737 12.397 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.972 12.181 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.716 11.596 -2.749 1.00 0.00 H new ATOM 1549 N HIS B 34 11.823 15.349 -4.170 1.00 0.00 N ATOM 1550 CA HIS B 34 11.031 16.167 -5.074 1.00 0.00 C ATOM 1551 C HIS B 34 9.715 16.554 -4.397 1.00 0.00 C ATOM 1552 O HIS B 34 9.331 17.723 -4.402 1.00 0.00 O ATOM 1553 CB HIS B 34 10.822 15.452 -6.411 1.00 0.00 C ATOM 1554 CG HIS B 34 10.737 13.948 -6.297 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.816 13.163 -5.929 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.693 13.096 -6.504 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.427 11.896 -5.920 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.111 11.857 -6.277 1.00 0.00 N ATOM 0 H HIS B 34 11.425 14.433 -3.964 1.00 0.00 H new ATOM 0 HA HIS B 34 11.567 17.089 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.906 15.824 -6.871 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.642 15.710 -7.081 1.00 0.00 H new ATOM 0 HD1 HIS B 34 12.751 13.502 -5.703 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.695 13.381 -6.802 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.044 11.044 -5.673 1.00 0.00 H new ATOM 1566 N CYS B 35 9.061 15.551 -3.830 1.00 0.00 N ATOM 1567 CA CYS B 35 7.796 15.772 -3.150 1.00 0.00 C ATOM 1568 C CYS B 35 7.995 15.487 -1.660 1.00 0.00 C ATOM 1569 O CYS B 35 8.434 14.400 -1.286 1.00 0.00 O ATOM 1570 CB CYS B 35 6.675 14.921 -3.750 1.00 0.00 C ATOM 1571 SG CYS B 35 5.303 15.875 -4.497 1.00 0.00 S ATOM 0 H CYS B 35 9.383 14.583 -3.828 1.00 0.00 H new ATOM 0 HA CYS B 35 7.486 16.809 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.102 14.268 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.269 14.278 -2.969 1.00 0.00 H new ATOM 1576 N ALA B 36 7.664 16.481 -0.850 1.00 0.00 N ATOM 1577 CA ALA B 36 7.801 16.350 0.591 1.00 0.00 C ATOM 1578 C ALA B 36 6.448 15.967 1.194 1.00 0.00 C ATOM 1579 O ALA B 36 6.193 16.227 2.369 1.00 0.00 O ATOM 1580 CB ALA B 36 8.350 17.654 1.172 1.00 0.00 C ATOM 0 H ALA B 36 7.301 17.381 -1.164 1.00 0.00 H new ATOM 0 HA ALA B 36 8.509 15.559 0.839 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.453 17.556 2.253 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.325 17.866 0.733 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.664 18.470 0.945 1.00 0.00 H new ATOM 1586 N GLN B 37 5.617 15.355 0.363 1.00 0.00 N ATOM 1587 CA GLN B 37 4.297 14.933 0.801 1.00 0.00 C ATOM 1588 C GLN B 37 4.052 13.473 0.416 1.00 0.00 C ATOM 1589 O GLN B 37 4.612 12.983 -0.563 1.00 0.00 O ATOM 1590 CB GLN B 37 3.211 15.843 0.222 1.00 0.00 C ATOM 1591 CG GLN B 37 3.713 17.283 0.094 1.00 0.00 C ATOM 1592 CD GLN B 37 3.952 17.904 1.471 1.00 0.00 C ATOM 1593 OE1 GLN B 37 5.091 18.584 1.567 1.00 0.00 O flip ATOM 1594 NE2 GLN B 37 3.156 17.775 2.386 1.00 0.00 N flip ATOM 0 H GLN B 37 5.832 15.141 -0.611 1.00 0.00 H new ATOM 0 HA GLN B 37 4.252 15.014 1.887 1.00 0.00 H new ATOM 0 HB2 GLN B 37 2.905 15.473 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.330 15.817 0.863 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.638 17.300 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN B 37 2.984 17.878 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN B 37 2.299 17.239 2.245 1.00 0.00 H new ATOM 0 HE22 GLN B 37 3.347 18.203 3.292 1.00 0.00 H new ATOM 1603 N THR B 38 3.214 12.819 1.207 1.00 0.00 N ATOM 1604 CA THR B 38 2.887 11.424 0.961 1.00 0.00 C ATOM 1605 C THR B 38 1.979 11.297 -0.263 1.00 0.00 C ATOM 1606 O THR B 38 1.407 12.285 -0.722 1.00 0.00 O ATOM 1607 CB THR B 38 2.270 10.851 2.238 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.242 11.122 3.245 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.178 9.324 2.210 1.00 0.00 C ATOM 0 H THR B 38 2.752 13.229 2.019 1.00 0.00 H new ATOM 0 HA THR B 38 3.779 10.844 0.726 1.00 0.00 H new ATOM 0 HB THR B 38 1.275 11.272 2.381 1.00 0.00 H new ATOM 0 HG1 THR B 38 2.922 10.785 4.108 1.00 0.00 H new ATOM 0 HG21 THR B 38 1.733 8.969 3.140 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.559 9.012 1.369 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.177 8.901 2.101 1.00 0.00 H new ATOM 1617 N GLU B 39 1.873 10.072 -0.757 1.00 0.00 N ATOM 1618 CA GLU B 39 1.043 9.802 -1.919 1.00 0.00 C ATOM 1619 C GLU B 39 0.463 8.389 -1.840 1.00 0.00 C ATOM 1620 O GLU B 39 1.083 7.433 -2.304 1.00 0.00 O ATOM 1621 CB GLU B 39 1.833 10.000 -3.214 1.00 0.00 C ATOM 1622 CG GLU B 39 1.069 10.895 -4.191 1.00 0.00 C ATOM 1623 CD GLU B 39 0.683 12.221 -3.533 1.00 0.00 C ATOM 1624 OE1 GLU B 39 1.617 12.954 -3.142 1.00 0.00 O ATOM 1625 OE2 GLU B 39 -0.538 12.472 -3.435 1.00 0.00 O ATOM 0 H GLU B 39 2.348 9.255 -0.374 1.00 0.00 H new ATOM 0 HA GLU B 39 0.216 10.512 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.802 10.446 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU B 39 2.027 9.033 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.683 11.087 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.172 10.381 -4.535 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.720 8.301 -1.250 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.391 7.021 -1.105 1.00 0.00 C ATOM 1634 C VAL B 40 -2.283 6.776 -2.324 1.00 0.00 C ATOM 1635 O VAL B 40 -3.202 7.549 -2.590 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.160 6.980 0.217 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -2.964 5.684 0.343 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.215 7.158 1.407 1.00 0.00 C ATOM 0 H VAL B 40 -1.231 9.096 -0.867 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.663 6.211 -1.067 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.864 7.812 0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.501 5.680 1.291 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.677 5.617 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.287 4.831 0.306 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.787 7.125 2.334 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.476 6.357 1.408 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.707 8.119 1.328 1.00 0.00 H new ATOM 1648 N ILE B 41 -1.981 5.698 -3.032 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.744 5.341 -4.216 1.00 0.00 C ATOM 1650 C ILE B 41 -3.233 3.897 -4.087 1.00 0.00 C ATOM 1651 O ILE B 41 -2.437 2.961 -4.143 1.00 0.00 O ATOM 1652 CB ILE B 41 -1.924 5.603 -5.481 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.292 6.996 -5.447 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.769 5.387 -6.737 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.235 6.907 -5.461 1.00 0.00 C ATOM 0 H ILE B 41 -1.218 5.059 -2.808 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.630 5.970 -4.302 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.108 4.881 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.634 7.575 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.621 7.526 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.162 5.580 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.129 4.358 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.620 6.069 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.658 7.911 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.575 6.348 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.561 6.398 -6.368 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.540 3.762 -3.918 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.144 2.447 -3.781 1.00 0.00 C ATOM 1669 C ALA B 42 -5.746 2.025 -5.123 1.00 0.00 C ATOM 1670 O ALA B 42 -6.231 2.864 -5.881 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.184 2.478 -2.659 1.00 0.00 C ATOM 0 H ALA B 42 -5.197 4.541 -3.873 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.393 1.705 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.637 1.492 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.700 2.755 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -6.956 3.209 -2.899 1.00 0.00 H new ATOM 1677 N THR B 43 -5.695 0.725 -5.375 1.00 0.00 N ATOM 1678 CA THR B 43 -6.229 0.182 -6.612 1.00 0.00 C ATOM 1679 C THR B 43 -7.671 -0.288 -6.410 1.00 0.00 C ATOM 1680 O THR B 43 -7.974 -0.970 -5.432 1.00 0.00 O ATOM 1681 CB THR B 43 -5.289 -0.929 -7.085 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.133 -0.233 -7.544 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.811 -1.646 -8.332 1.00 0.00 C ATOM 0 H THR B 43 -5.292 0.032 -4.744 1.00 0.00 H new ATOM 0 HA THR B 43 -6.275 0.943 -7.391 1.00 0.00 H new ATOM 0 HB THR B 43 -5.149 -1.653 -6.282 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.470 -0.878 -7.868 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.107 -2.425 -8.626 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.780 -2.096 -8.114 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.919 -0.929 -9.146 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.523 0.096 -7.350 1.00 0.00 N ATOM 1692 CA LEU B 44 -9.925 -0.277 -7.287 1.00 0.00 C ATOM 1693 C LEU B 44 -10.089 -1.715 -7.782 1.00 0.00 C ATOM 1694 O LEU B 44 -9.314 -2.180 -8.617 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.784 0.736 -8.046 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.026 1.247 -7.312 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.534 2.548 -7.935 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.114 0.172 -7.261 1.00 0.00 C ATOM 0 H LEU B 44 -8.268 0.662 -8.160 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.279 -0.252 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.160 1.592 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.102 0.282 -8.984 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.747 1.471 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.417 2.890 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.755 3.308 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.792 2.375 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -13.985 0.561 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.398 -0.107 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.735 -0.705 -6.737 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.102 -2.380 -7.247 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.377 -3.756 -7.625 1.00 0.00 C ATOM 1712 C LYS B 45 -12.010 -3.782 -9.017 1.00 0.00 C ATOM 1713 O LYS B 45 -12.273 -4.852 -9.564 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.222 -4.448 -6.552 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.428 -5.926 -6.886 1.00 0.00 C ATOM 1716 CD LYS B 45 -13.737 -6.139 -7.650 1.00 0.00 C ATOM 1717 CE LYS B 45 -14.787 -6.810 -6.762 1.00 0.00 C ATOM 1718 NZ LYS B 45 -15.942 -7.257 -7.573 1.00 0.00 N ATOM 0 H LYS B 45 -11.743 -1.992 -6.555 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.450 -4.326 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.732 -4.355 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.189 -3.952 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.591 -6.287 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.440 -6.512 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.115 -5.180 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.553 -6.755 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.345 -7.663 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.122 -6.113 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.645 -7.710 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -16.373 -6.437 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.620 -7.939 -8.289 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.237 -2.591 -9.551 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.834 -2.463 -10.869 1.00 0.00 C ATOM 1734 C ASN B 46 -11.735 -2.191 -11.898 1.00 0.00 C ATOM 1735 O ASN B 46 -11.986 -2.223 -13.102 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.824 -1.297 -10.915 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.716 -0.538 -12.239 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -13.987 -1.059 -13.308 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -13.305 0.721 -12.109 1.00 0.00 N ATOM 0 H ASN B 46 -12.018 -1.706 -9.094 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.360 -3.391 -11.092 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.840 -1.672 -10.789 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.630 -0.617 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.200 1.311 -12.934 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.095 1.096 -11.184 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.542 -1.929 -11.387 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.403 -1.652 -12.246 1.00 0.00 C ATOM 1748 C GLY B 47 -8.981 -0.185 -12.140 1.00 0.00 C ATOM 1749 O GLY B 47 -7.949 0.208 -12.682 1.00 0.00 O ATOM 0 H GLY B 47 -10.339 -1.903 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.568 -2.295 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.657 -1.888 -13.280 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.800 0.584 -11.438 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.524 1.999 -11.254 1.00 0.00 C ATOM 1755 C GLN B 48 -8.607 2.208 -10.047 1.00 0.00 C ATOM 1756 O GLN B 48 -8.085 1.246 -9.485 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.821 2.795 -11.102 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.290 3.342 -12.452 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.338 4.441 -12.264 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.479 4.193 -11.909 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -11.889 5.666 -12.520 1.00 0.00 N ATOM 0 H GLN B 48 -10.655 0.254 -10.990 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.012 2.368 -12.143 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.595 2.157 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.667 3.619 -10.405 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.438 3.738 -13.004 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.709 2.533 -13.050 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -10.922 5.804 -12.813 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -12.512 6.468 -12.423 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.439 3.471 -9.684 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.595 3.819 -8.554 1.00 0.00 C ATOM 1772 C LYS B 49 -8.198 5.019 -7.822 1.00 0.00 C ATOM 1773 O LYS B 49 -8.775 5.907 -8.449 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.152 4.040 -9.012 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.626 2.824 -9.777 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.097 2.808 -9.799 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.573 1.717 -10.734 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.132 1.475 -10.494 1.00 0.00 N ATOM 0 H LYS B 49 -8.873 4.266 -10.153 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.557 2.996 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.100 4.924 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.518 4.232 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.996 1.910 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.008 2.840 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -3.724 3.780 -10.123 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.717 2.641 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.133 0.795 -10.577 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.730 2.013 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -1.793 0.731 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -1.599 2.351 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.990 1.172 -9.509 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.045 5.008 -6.506 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.568 6.085 -5.682 1.00 0.00 C ATOM 1794 C ALA B 50 -7.486 6.541 -4.701 1.00 0.00 C ATOM 1795 O ALA B 50 -7.112 5.797 -3.795 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.838 5.614 -4.973 1.00 0.00 C ATOM 0 H ALA B 50 -7.566 4.270 -5.990 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.838 6.943 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.230 6.422 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.584 5.329 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.606 4.755 -4.343 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.015 7.760 -4.913 1.00 0.00 N ATOM 1803 CA CYS B 51 -5.984 8.324 -4.058 1.00 0.00 C ATOM 1804 C CYS B 51 -6.611 8.649 -2.701 1.00 0.00 C ATOM 1805 O CYS B 51 -7.741 9.130 -2.634 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.332 9.553 -4.694 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.652 9.270 -5.364 1.00 0.00 S ATOM 0 H CYS B 51 -7.328 8.374 -5.665 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.182 7.598 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.973 9.912 -5.499 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.282 10.347 -3.949 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.850 8.373 -1.652 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.316 8.630 -0.300 1.00 0.00 C ATOM 1814 C LEU B 52 -5.520 9.792 0.297 1.00 0.00 C ATOM 1815 O LEU B 52 -4.476 10.171 -0.232 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.260 7.352 0.538 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.095 6.176 0.024 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.634 4.860 0.654 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.588 6.426 0.246 1.00 0.00 C ATOM 0 H LEU B 52 -4.913 7.974 -1.711 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.363 8.932 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.220 7.031 0.607 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.588 7.590 1.550 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.939 6.090 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.243 4.041 0.272 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.588 4.683 0.402 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.741 4.918 1.737 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.159 5.576 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.781 6.553 1.311 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.889 7.328 -0.287 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.043 10.326 1.391 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.394 11.437 2.066 1.00 0.00 C ATOM 1833 C ASN B 53 -4.621 10.911 3.277 1.00 0.00 C ATOM 1834 O ASN B 53 -5.211 10.347 4.197 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.422 12.453 2.567 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.757 13.793 2.887 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -6.065 14.277 4.087 1.00 0.00 O flip ATOM 1838 ND2 ASN B 53 -5.014 14.352 2.097 1.00 0.00 N flip ATOM 0 H ASN B 53 -6.909 10.010 1.827 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.726 11.921 1.353 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.194 12.597 1.811 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.916 12.066 3.458 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.819 13.926 1.191 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.588 15.246 2.342 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.278 11.120 3.237 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.418 10.673 4.319 1.00 0.00 C ATOM 1847 C PRO B 54 -2.558 11.583 5.542 1.00 0.00 C ATOM 1848 O PRO B 54 -1.888 11.378 6.552 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.015 10.676 3.734 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.080 11.561 2.501 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.545 11.785 2.163 1.00 0.00 C ATOM 0 HA PRO B 54 -2.681 9.680 4.682 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.293 11.061 4.454 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.698 9.666 3.474 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.582 12.512 2.688 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.563 11.089 1.665 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.784 12.848 2.119 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.796 11.362 1.191 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.433 12.569 5.409 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.669 13.511 6.489 1.00 0.00 C ATOM 1861 C ALA B 55 -5.019 13.205 7.141 1.00 0.00 C ATOM 1862 O ALA B 55 -5.566 14.036 7.865 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.594 14.940 5.947 1.00 0.00 C ATOM 0 H ALA B 55 -3.987 12.736 4.569 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.902 13.413 7.257 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.771 15.646 6.758 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.606 15.116 5.521 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.351 15.077 5.175 1.00 0.00 H new ATOM 1869 N SER B 56 -5.518 12.010 6.861 1.00 0.00 N ATOM 1870 CA SER B 56 -6.793 11.584 7.411 1.00 0.00 C ATOM 1871 C SER B 56 -6.593 10.366 8.316 1.00 0.00 C ATOM 1872 O SER B 56 -5.779 9.494 8.017 1.00 0.00 O ATOM 1873 CB SER B 56 -7.792 11.259 6.298 1.00 0.00 C ATOM 1874 OG SER B 56 -8.894 10.493 6.777 1.00 0.00 O ATOM 0 H SER B 56 -5.062 11.323 6.260 1.00 0.00 H new ATOM 0 HA SER B 56 -7.201 12.404 8.001 1.00 0.00 H new ATOM 0 HB2 SER B 56 -8.159 12.186 5.858 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.285 10.709 5.505 1.00 0.00 H new ATOM 0 HG SER B 56 -9.549 10.377 6.057 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.369 10.346 9.432 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.284 9.251 10.383 1.00 0.00 C ATOM 1882 C PRO B 57 -7.974 7.998 9.839 1.00 0.00 C ATOM 1883 O PRO B 57 -7.685 6.886 10.277 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.931 9.780 11.653 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.765 10.978 11.227 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.344 11.362 9.818 1.00 0.00 C ATOM 0 HA PRO B 57 -6.257 8.940 10.575 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.553 9.017 12.121 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.177 10.069 12.385 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.827 10.733 11.255 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.612 11.812 11.912 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.196 11.371 9.139 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.906 12.360 9.794 1.00 0.00 H new ATOM 1894 N MET B 58 -8.873 8.221 8.891 1.00 0.00 N ATOM 1895 CA MET B 58 -9.607 7.124 8.283 1.00 0.00 C ATOM 1896 C MET B 58 -8.732 6.369 7.280 1.00 0.00 C ATOM 1897 O MET B 58 -9.023 5.225 6.935 1.00 0.00 O ATOM 1898 CB MET B 58 -10.845 7.671 7.570 1.00 0.00 C ATOM 1899 CG MET B 58 -11.928 6.597 7.450 1.00 0.00 C ATOM 1900 SD MET B 58 -13.370 7.077 8.387 1.00 0.00 S ATOM 1901 CE MET B 58 -12.627 7.334 9.989 1.00 0.00 C ATOM 0 H MET B 58 -9.110 9.145 8.529 1.00 0.00 H new ATOM 0 HA MET B 58 -9.906 6.431 9.070 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.236 8.527 8.119 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.570 8.027 6.577 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.195 6.454 6.403 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.548 5.643 7.815 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.391 7.253 10.762 1.00 0.00 H new ATOM 0 HE2 MET B 58 -11.858 6.580 10.159 1.00 0.00 H new ATOM 0 HE3 MET B 58 -12.177 8.326 10.026 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.677 7.040 6.841 1.00 0.00 N ATOM 1912 CA VAL B 59 -6.758 6.447 5.885 1.00 0.00 C ATOM 1913 C VAL B 59 -5.941 5.356 6.579 1.00 0.00 C ATOM 1914 O VAL B 59 -5.351 4.502 5.919 1.00 0.00 O ATOM 1915 CB VAL B 59 -5.888 7.534 5.251 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.515 6.981 4.862 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -6.587 8.163 4.045 1.00 0.00 C ATOM 0 H VAL B 59 -7.438 7.989 7.130 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.307 5.974 5.071 1.00 0.00 H new ATOM 0 HB VAL B 59 -5.736 8.316 5.995 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -3.917 7.774 4.414 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.010 6.604 5.751 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -4.639 6.170 4.144 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -5.947 8.932 3.614 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -6.785 7.395 3.298 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -7.528 8.611 4.363 1.00 0.00 H new ATOM 1927 N LYS B 60 -5.931 5.420 7.902 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.196 4.448 8.693 1.00 0.00 C ATOM 1929 C LYS B 60 -6.135 3.308 9.095 1.00 0.00 C ATOM 1930 O LYS B 60 -5.739 2.402 9.826 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.513 5.130 9.881 1.00 0.00 C ATOM 1932 CG LYS B 60 -3.603 6.266 9.411 1.00 0.00 C ATOM 1933 CD LYS B 60 -4.405 7.546 9.167 1.00 0.00 C ATOM 1934 CE LYS B 60 -3.767 8.739 9.881 1.00 0.00 C ATOM 1935 NZ LYS B 60 -4.084 8.707 11.327 1.00 0.00 N ATOM 0 H LYS B 60 -6.420 6.130 8.446 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.393 4.007 8.103 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.268 5.522 10.563 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.929 4.398 10.439 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -2.832 6.453 10.159 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.093 5.972 8.494 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.461 7.746 8.097 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.428 7.411 9.520 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.686 8.720 9.739 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -4.130 9.669 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.509 9.613 11.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.755 7.935 11.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.211 8.550 11.870 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.360 3.391 8.599 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.358 2.378 8.897 1.00 0.00 C ATOM 1951 C LYS B 61 -8.776 1.683 7.599 1.00 0.00 C ATOM 1952 O LYS B 61 -9.381 0.612 7.632 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.528 2.990 9.670 1.00 0.00 C ATOM 1954 CG LYS B 61 -9.064 3.543 11.019 1.00 0.00 C ATOM 1955 CD LYS B 61 -10.015 3.121 12.141 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.577 3.713 13.483 1.00 0.00 C ATOM 1957 NZ LYS B 61 -10.757 4.037 14.315 1.00 0.00 N ATOM 0 H LYS B 61 -7.685 4.144 7.993 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.940 1.612 9.550 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.979 3.789 9.081 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.299 2.236 9.828 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -8.058 3.185 11.236 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -9.012 4.631 10.972 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.028 3.450 11.907 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -10.041 2.034 12.210 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -8.937 3.004 14.009 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -8.985 4.613 13.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -10.443 4.438 15.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -11.352 4.730 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -11.306 3.171 14.491 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.436 2.319 6.488 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.768 1.775 5.182 1.00 0.00 C ATOM 1973 C ILE B 62 -7.609 0.907 4.687 1.00 0.00 C ATOM 1974 O ILE B 62 -7.776 0.108 3.768 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.153 2.897 4.216 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.289 3.748 4.789 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.496 2.337 2.834 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.207 5.187 4.276 1.00 0.00 C ATOM 0 H ILE B 62 -7.934 3.206 6.465 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.644 1.130 5.249 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.291 3.553 4.092 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.249 3.313 4.512 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.239 3.743 5.878 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.766 3.155 2.167 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.632 1.810 2.430 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.335 1.646 2.919 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.025 5.771 4.698 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.256 5.626 4.576 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.282 5.190 3.189 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.459 1.095 5.318 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.273 0.339 4.953 1.00 0.00 C ATOM 1992 C ILE B 63 -5.196 -0.926 5.809 1.00 0.00 C ATOM 1993 O ILE B 63 -5.159 -2.036 5.280 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.026 1.221 5.046 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -3.996 2.250 3.914 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.755 0.371 5.082 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.168 3.475 4.308 1.00 0.00 C ATOM 0 H ILE B 63 -6.323 1.760 6.080 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.332 0.017 3.913 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.069 1.775 5.983 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.576 1.796 3.016 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.013 2.557 3.670 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.883 1.022 5.148 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.782 -0.288 5.950 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.692 -0.228 4.174 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.163 4.191 3.486 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.605 3.940 5.192 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.146 3.168 4.528 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.174 -0.717 7.117 1.00 0.00 N ATOM 2010 CA GLU B 64 -5.103 -1.828 8.051 1.00 0.00 C ATOM 2011 C GLU B 64 -6.190 -2.857 7.737 1.00 0.00 C ATOM 2012 O GLU B 64 -5.967 -4.060 7.866 1.00 0.00 O ATOM 2013 CB GLU B 64 -5.214 -1.337 9.496 1.00 0.00 C ATOM 2014 CG GLU B 64 -4.007 -0.478 9.878 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.352 0.476 11.023 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -5.331 0.172 11.739 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.630 1.487 11.158 1.00 0.00 O ATOM 0 H GLU B 64 -5.204 0.205 7.552 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.132 -2.310 7.939 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -6.130 -0.758 9.618 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.285 -2.191 10.170 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -3.178 -1.121 10.173 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.674 0.094 9.012 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.343 -2.347 7.330 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.465 -3.207 6.995 1.00 0.00 C ATOM 2026 C LYS B 65 -8.157 -3.961 5.700 1.00 0.00 C ATOM 2027 O LYS B 65 -8.534 -5.122 5.549 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.763 -2.398 6.943 1.00 0.00 C ATOM 2029 CG LYS B 65 -10.378 -2.256 8.336 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.873 -2.582 8.312 1.00 0.00 C ATOM 2031 CE LYS B 65 -12.320 -3.205 9.636 1.00 0.00 C ATOM 2032 NZ LYS B 65 -13.075 -2.221 10.443 1.00 0.00 N ATOM 0 H LYS B 65 -7.524 -1.349 7.225 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.615 -3.957 7.772 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.563 -1.410 6.528 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.473 -2.887 6.276 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.868 -2.922 9.032 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.230 -1.240 8.701 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -12.444 -1.673 8.123 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -12.086 -3.269 7.493 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -12.942 -4.079 9.442 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -11.450 -3.551 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -13.371 -2.660 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -12.470 -1.399 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -13.916 -1.911 9.915 1.00 0.00 H new ATOM 2046 N MET B 66 -7.476 -3.269 4.799 1.00 0.00 N ATOM 2047 CA MET B 66 -7.113 -3.858 3.521 1.00 0.00 C ATOM 2048 C MET B 66 -6.202 -5.072 3.716 1.00 0.00 C ATOM 2049 O MET B 66 -6.354 -6.084 3.033 1.00 0.00 O ATOM 2050 CB MET B 66 -6.396 -2.815 2.662 1.00 0.00 C ATOM 2051 CG MET B 66 -7.209 -2.484 1.409 1.00 0.00 C ATOM 2052 SD MET B 66 -7.560 -3.977 0.497 1.00 0.00 S ATOM 2053 CE MET B 66 -5.900 -4.493 0.095 1.00 0.00 C ATOM 0 H MET B 66 -7.166 -2.306 4.928 1.00 0.00 H new ATOM 0 HA MET B 66 -8.025 -4.187 3.022 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.234 -1.908 3.245 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.413 -3.189 2.374 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.140 -1.992 1.689 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.656 -1.786 0.781 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.901 -5.007 -0.866 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.251 -3.619 0.039 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.532 -5.169 0.867 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.274 -4.932 4.652 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.339 -6.004 4.945 1.00 0.00 C ATOM 2065 C LEU B 67 -5.088 -7.161 5.610 1.00 0.00 C ATOM 2066 O LEU B 67 -4.573 -8.275 5.689 1.00 0.00 O ATOM 2067 CB LEU B 67 -3.163 -5.478 5.771 1.00 0.00 C ATOM 2068 CG LEU B 67 -2.103 -4.687 5.000 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.738 -3.529 4.227 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.988 -4.211 5.934 1.00 0.00 C ATOM 0 H LEU B 67 -5.150 -4.092 5.217 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.904 -6.392 4.024 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.557 -4.842 6.564 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.676 -6.325 6.254 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.646 -5.351 4.266 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.964 -2.983 3.688 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.466 -3.921 3.517 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.237 -2.856 4.924 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.248 -3.652 5.362 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.410 -3.569 6.707 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.511 -5.073 6.400 1.00 0.00 H new ATOM 2082 N LYS B 68 -6.292 -6.856 6.071 1.00 0.00 N ATOM 2083 CA LYS B 68 -7.117 -7.857 6.727 1.00 0.00 C ATOM 2084 C LYS B 68 -8.191 -8.345 5.752 1.00 0.00 C ATOM 2085 O LYS B 68 -8.693 -9.460 5.883 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.682 -7.310 8.039 1.00 0.00 C ATOM 2087 CG LYS B 68 -7.238 -8.167 9.226 1.00 0.00 C ATOM 2088 CD LYS B 68 -8.399 -8.405 10.195 1.00 0.00 C ATOM 2089 CE LYS B 68 -8.301 -9.789 10.838 1.00 0.00 C ATOM 2090 NZ LYS B 68 -9.357 -10.682 10.312 1.00 0.00 N ATOM 0 H LYS B 68 -6.716 -5.931 6.004 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.517 -8.724 7.002 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -7.348 -6.282 8.183 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.771 -7.287 7.989 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -6.858 -9.123 8.867 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -6.418 -7.674 9.749 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -8.393 -7.639 10.970 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -9.346 -8.313 9.663 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -7.320 -10.220 10.639 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -8.397 -9.701 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -9.275 -11.617 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -10.291 -10.277 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -9.248 -10.780 9.282 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.510 -7.486 4.795 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.515 -7.815 3.798 1.00 0.00 C ATOM 2106 C ASN B 69 -10.859 -8.045 4.492 1.00 0.00 C ATOM 2107 O ASN B 69 -11.727 -7.174 4.476 1.00 0.00 O ATOM 2108 CB ASN B 69 -9.145 -9.095 3.046 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.301 -9.563 2.160 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -11.224 -8.825 1.857 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.199 -10.828 1.761 1.00 0.00 N ATOM 0 H ASN B 69 -8.090 -6.562 4.689 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.575 -6.987 3.092 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.261 -8.919 2.433 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.888 -9.879 3.759 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.920 -11.234 1.165 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.400 -11.391 2.051 1.00 0.00 H new ATOM 2118 N GLY B 70 -10.989 -9.223 5.085 1.00 0.00 N ATOM 2119 CA GLY B 70 -12.213 -9.579 5.783 1.00 0.00 C ATOM 2120 C GLY B 70 -12.632 -11.014 5.457 1.00 0.00 C ATOM 2121 O GLY B 70 -12.883 -11.343 4.299 1.00 0.00 O ATOM 0 H GLY B 70 -10.267 -9.943 5.096 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -12.066 -9.474 6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -13.010 -8.891 5.501 1.00 0.00 H new ATOM 2125 N LYS B 71 -12.695 -11.829 6.499 1.00 0.00 N ATOM 2126 CA LYS B 71 -13.080 -13.221 6.339 1.00 0.00 C ATOM 2127 C LYS B 71 -14.553 -13.295 5.930 1.00 0.00 C ATOM 2128 O LYS B 71 -15.188 -12.267 5.698 1.00 0.00 O ATOM 2129 CB LYS B 71 -12.752 -14.017 7.603 1.00 0.00 C ATOM 2130 CG LYS B 71 -11.281 -14.435 7.622 1.00 0.00 C ATOM 2131 CD LYS B 71 -11.137 -15.921 7.958 1.00 0.00 C ATOM 2132 CE LYS B 71 -9.936 -16.533 7.235 1.00 0.00 C ATOM 2133 NZ LYS B 71 -10.382 -17.566 6.273 1.00 0.00 N ATOM 0 H LYS B 71 -12.486 -11.552 7.458 1.00 0.00 H new ATOM 0 HA LYS B 71 -12.503 -13.686 5.539 1.00 0.00 H new ATOM 0 HB2 LYS B 71 -12.974 -13.415 8.484 1.00 0.00 H new ATOM 0 HB3 LYS B 71 -13.386 -14.902 7.654 1.00 0.00 H new ATOM 0 HG2 LYS B 71 -10.829 -14.233 6.651 1.00 0.00 H new ATOM 0 HG3 LYS B 71 -10.739 -13.838 8.356 1.00 0.00 H new ATOM 0 HD2 LYS B 71 -11.019 -16.044 9.035 1.00 0.00 H new ATOM 0 HD3 LYS B 71 -12.046 -16.451 7.674 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -9.384 -15.753 6.711 1.00 0.00 H new ATOM 0 HE3 LYS B 71 -9.253 -16.974 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -9.555 -17.972 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 -10.889 -18.318 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -11.016 -17.135 5.570 1.00 0.00 H new ATOM 2147 N SER B 72 -15.053 -14.519 5.856 1.00 0.00 N ATOM 2148 CA SER B 72 -16.439 -14.740 5.479 1.00 0.00 C ATOM 2149 C SER B 72 -16.804 -16.214 5.670 1.00 0.00 C ATOM 2150 O SER B 72 -16.790 -16.989 4.715 1.00 0.00 O ATOM 2151 CB SER B 72 -16.691 -14.314 4.032 1.00 0.00 C ATOM 2152 OG SER B 72 -15.865 -15.024 3.114 1.00 0.00 O ATOM 0 H SER B 72 -14.523 -15.369 6.051 1.00 0.00 H new ATOM 0 HA SER B 72 -17.071 -14.129 6.124 1.00 0.00 H new ATOM 0 HB2 SER B 72 -17.738 -14.482 3.782 1.00 0.00 H new ATOM 0 HB3 SER B 72 -16.507 -13.244 3.932 1.00 0.00 H new ATOM 0 HG SER B 72 -15.953 -15.987 3.272 1.00 0.00 H new ATOM 2158 N ASN B 73 -17.123 -16.556 6.910 1.00 0.00 N ATOM 2159 CA ASN B 73 -17.492 -17.922 7.238 1.00 0.00 C ATOM 2160 C ASN B 73 -18.608 -18.384 6.298 1.00 0.00 C ATOM 2161 O ASN B 73 -19.459 -17.590 5.903 1.00 0.00 O ATOM 2162 CB ASN B 73 -18.010 -18.023 8.673 1.00 0.00 C ATOM 2163 CG ASN B 73 -19.142 -17.024 8.919 1.00 0.00 C ATOM 2164 OD1 ASN B 73 -18.965 -15.818 8.855 1.00 0.00 O ATOM 2165 ND2 ASN B 73 -20.312 -17.590 9.204 1.00 0.00 N ATOM 0 H ASN B 73 -17.133 -15.910 7.699 1.00 0.00 H new ATOM 0 HA ASN B 73 -16.605 -18.546 7.131 1.00 0.00 H new ATOM 0 HB2 ASN B 73 -18.366 -19.035 8.865 1.00 0.00 H new ATOM 0 HB3 ASN B 73 -17.195 -17.834 9.372 1.00 0.00 H new ATOM 0 HD21 ASN B 73 -21.130 -17.008 9.385 1.00 0.00 H new ATOM 0 HD22 ASN B 73 -20.391 -18.606 9.242 1.00 0.00 H new TER 2172 ASN B 73