USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 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: C 21 ASN :FLIP amide:sc= 0.708 F(o=-1.1,f=0.36) USER MOD Set 1.2: C 52 ASN :FLIP amide:sc= -0.351 F(o=-2.3,f=0.36) USER MOD Set 2.1: B 23 ASN : amide:sc= 0.33 K(o=-0.52,f=-5.6) USER MOD Set 2.2: B 55 GLN : amide:sc= -0.853 K(o=-0.52,f=-5.6!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -0.192 X(o=-0.27,f=0.0032) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0.0167 USER MOD Set 3.3: A 21 ASN : amide:sc= -0.0947 X(o=-0.27,f=0.0032) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.22! C(o=-4.3!,f=-2.2!) USER MOD Single : A 19 SER OG : rot -85:sc= 0.374 USER MOD Single : A 22 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= 0.627 K(o=0.63,f=-0.28) USER MOD Single : B 26 GLN : amide:sc= -3.76! C(o=-3.8!,f=-11!) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : B 33 SER OG : rot 69:sc= 1.29 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 41 SER OG : rot -110:sc= 1.26 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.08) USER MOD Single : B 52 ASN :FLIP amide:sc= -0.418 F(o=-1.2,f=-0.42) USER MOD Single : C 18 TYR OH : rot -70:sc= -0.159 USER MOD Single : C 23 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.8) USER MOD Single : C 26 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.69) USER MOD Single : C 32 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : C 33 SER OG : rot 67:sc= 0.966 USER MOD Single : C 35 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : C 39 SER OG : rot 95:sc= 1.37 USER MOD Single : C 40 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : C 41 SER OG : rot 180:sc= -0.0326 USER MOD Single : C 43 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 50 LYS NZ :NH3+ -169:sc=-0.00958 (180deg=-0.146) USER MOD Single : C 55 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 12 -11.915 6.861 6.783 1.00 0.00 N ATOM 43 CA LEU A 12 -10.904 6.833 5.744 1.00 0.00 C ATOM 44 C LEU A 12 -9.911 5.752 6.059 1.00 0.00 C ATOM 45 O LEU A 12 -10.047 5.035 7.048 1.00 0.00 O ATOM 46 CB LEU A 12 -10.127 8.157 5.592 1.00 0.00 C ATOM 47 CG LEU A 12 -10.938 9.444 5.434 1.00 0.00 C ATOM 48 CD1 LEU A 12 -12.032 9.302 4.385 1.00 0.00 C ATOM 49 CD2 LEU A 12 -11.502 9.843 6.773 1.00 0.00 C ATOM 0 HA LEU A 12 -11.433 6.655 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.484 8.271 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.473 8.064 4.725 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.276 10.233 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.583 10.239 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.583 9.062 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.714 8.503 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.081 10.760 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.147 9.048 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.686 10.010 7.476 1.00 0.00 H new ATOM 61 N ALA A 13 -8.911 5.657 5.224 1.00 0.00 N ATOM 62 CA ALA A 13 -7.894 4.635 5.374 1.00 0.00 C ATOM 63 C ALA A 13 -6.506 5.208 5.156 1.00 0.00 C ATOM 64 O ALA A 13 -6.294 6.061 4.295 1.00 0.00 O ATOM 65 CB ALA A 13 -8.140 3.469 4.431 1.00 0.00 C ATOM 0 H ALA A 13 -8.773 6.277 4.426 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.954 4.263 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.360 2.720 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.112 3.025 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.124 3.825 3.401 1.00 0.00 H new ATOM 71 N ASN A 14 -5.577 4.748 5.971 1.00 0.00 N ATOM 72 CA ASN A 14 -4.177 5.123 5.867 1.00 0.00 C ATOM 73 C ASN A 14 -3.387 3.925 5.378 1.00 0.00 C ATOM 74 O ASN A 14 -3.788 2.782 5.608 1.00 0.00 O ATOM 75 CB ASN A 14 -3.629 5.578 7.227 1.00 0.00 C ATOM 76 CG ASN A 14 -4.110 6.956 7.657 1.00 0.00 C ATOM 77 OD1 ASN A 14 -5.285 7.361 7.201 1.00 0.00 O flip ATOM 78 ND2 ASN A 14 -3.422 7.652 8.399 1.00 0.00 N flip ATOM 0 H ASN A 14 -5.773 4.097 6.732 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.083 5.953 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.918 4.850 7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.540 5.581 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.521 7.307 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.751 8.575 8.683 1.00 0.00 H new ATOM 85 N PHE A 15 -2.280 4.170 4.703 1.00 0.00 N ATOM 86 CA PHE A 15 -1.459 3.080 4.216 1.00 0.00 C ATOM 87 C PHE A 15 -0.204 2.975 5.060 1.00 0.00 C ATOM 88 O PHE A 15 0.715 3.779 4.933 1.00 0.00 O ATOM 89 CB PHE A 15 -1.085 3.285 2.748 1.00 0.00 C ATOM 90 CG PHE A 15 -0.683 2.009 2.067 1.00 0.00 C ATOM 91 CD1 PHE A 15 0.648 1.633 1.992 1.00 0.00 C ATOM 92 CD2 PHE A 15 -1.645 1.176 1.514 1.00 0.00 C ATOM 93 CE1 PHE A 15 1.013 0.452 1.378 1.00 0.00 C ATOM 94 CE2 PHE A 15 -1.285 -0.005 0.896 1.00 0.00 C ATOM 95 CZ PHE A 15 0.046 -0.368 0.829 1.00 0.00 C ATOM 0 H PHE A 15 -1.932 5.103 4.482 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.031 2.155 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.932 3.722 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.265 4.000 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.408 2.271 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.687 1.455 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.054 0.169 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.042 -0.644 0.466 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.331 -1.292 0.348 1.00 0.00 H new ATOM 105 N LEU A 16 -0.181 1.992 5.936 1.00 0.00 N ATOM 106 CA LEU A 16 0.951 1.795 6.816 1.00 0.00 C ATOM 107 C LEU A 16 1.739 0.586 6.354 1.00 0.00 C ATOM 108 O LEU A 16 1.241 -0.225 5.576 1.00 0.00 O ATOM 109 CB LEU A 16 0.504 1.630 8.279 1.00 0.00 C ATOM 110 CG LEU A 16 0.004 0.239 8.693 1.00 0.00 C ATOM 111 CD1 LEU A 16 -0.506 0.260 10.123 1.00 0.00 C ATOM 112 CD2 LEU A 16 -1.079 -0.254 7.765 1.00 0.00 C ATOM 0 H LEU A 16 -0.935 1.316 6.057 1.00 0.00 H new ATOM 0 HA LEU A 16 1.587 2.679 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.342 1.896 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.290 2.350 8.476 1.00 0.00 H new ATOM 0 HG LEU A 16 0.847 -0.448 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.856 -0.735 10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.300 0.559 10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.329 0.970 10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.411 -1.241 8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.921 0.438 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.688 -0.315 6.749 1.00 0.00 H new ATOM 124 N VAL A 17 2.958 0.469 6.813 1.00 0.00 N ATOM 125 CA VAL A 17 3.803 -0.615 6.390 1.00 0.00 C ATOM 126 C VAL A 17 4.799 -1.010 7.471 1.00 0.00 C ATOM 127 O VAL A 17 5.459 -0.159 8.072 1.00 0.00 O ATOM 128 CB VAL A 17 4.538 -0.246 5.083 1.00 0.00 C ATOM 129 CG1 VAL A 17 5.108 1.150 5.137 1.00 0.00 C ATOM 130 CG2 VAL A 17 5.634 -1.242 4.789 1.00 0.00 C ATOM 0 H VAL A 17 3.387 1.111 7.479 1.00 0.00 H new ATOM 0 HA VAL A 17 3.164 -1.478 6.204 1.00 0.00 H new ATOM 0 HB VAL A 17 3.803 -0.277 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.617 1.372 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.301 1.867 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.818 1.221 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.140 -0.964 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.353 -1.245 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.202 -2.237 4.682 1.00 0.00 H new ATOM 140 N HIS A 18 4.868 -2.306 7.730 1.00 0.00 N ATOM 141 CA HIS A 18 5.892 -2.864 8.592 1.00 0.00 C ATOM 142 C HIS A 18 7.209 -2.781 7.837 1.00 0.00 C ATOM 143 O HIS A 18 7.372 -3.426 6.800 1.00 0.00 O ATOM 144 CB HIS A 18 5.548 -4.313 8.958 1.00 0.00 C ATOM 145 CG HIS A 18 6.374 -4.880 10.075 1.00 0.00 C ATOM 146 ND1 HIS A 18 7.142 -6.014 9.940 1.00 0.00 N ATOM 147 CD2 HIS A 18 6.522 -4.481 11.362 1.00 0.00 C ATOM 148 CE1 HIS A 18 7.725 -6.289 11.092 1.00 0.00 C ATOM 149 NE2 HIS A 18 7.366 -5.375 11.970 1.00 0.00 N ATOM 0 H HIS A 18 4.219 -2.995 7.350 1.00 0.00 H new ATOM 0 HA HIS A 18 5.962 -2.309 9.528 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.496 -4.365 9.237 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.675 -4.939 8.074 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.061 -3.620 11.823 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.385 -7.123 11.282 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.667 -5.338 12.944 1.00 0.00 H new ATOM 158 N SER A 19 8.125 -1.983 8.363 1.00 0.00 N ATOM 159 CA SER A 19 9.274 -1.476 7.611 1.00 0.00 C ATOM 160 C SER A 19 10.128 -2.545 6.915 1.00 0.00 C ATOM 161 O SER A 19 10.900 -2.211 6.012 1.00 0.00 O ATOM 162 CB SER A 19 10.149 -0.634 8.540 1.00 0.00 C ATOM 163 OG SER A 19 10.440 -1.331 9.738 1.00 0.00 O ATOM 0 H SER A 19 8.096 -1.663 9.331 1.00 0.00 H new ATOM 0 HA SER A 19 8.857 -0.879 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.078 -0.374 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.641 0.301 8.774 1.00 0.00 H new ATOM 0 HG SER A 19 9.714 -1.193 10.381 1.00 0.00 H new ATOM 169 N SER A 20 10.014 -3.808 7.302 1.00 0.00 N ATOM 170 CA SER A 20 10.894 -4.815 6.739 1.00 0.00 C ATOM 171 C SER A 20 10.443 -5.285 5.353 1.00 0.00 C ATOM 172 O SER A 20 11.200 -5.167 4.387 1.00 0.00 O ATOM 173 CB SER A 20 10.976 -6.007 7.692 1.00 0.00 C ATOM 174 OG SER A 20 9.683 -6.416 8.107 1.00 0.00 O ATOM 0 H SER A 20 9.339 -4.151 7.985 1.00 0.00 H new ATOM 0 HA SER A 20 11.877 -4.359 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.483 -6.837 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.574 -5.740 8.563 1.00 0.00 H new ATOM 0 HG SER A 20 9.761 -7.181 8.715 1.00 0.00 H new ATOM 180 N ASN A 21 9.228 -5.817 5.235 1.00 0.00 N ATOM 181 CA ASN A 21 8.754 -6.281 3.931 1.00 0.00 C ATOM 182 C ASN A 21 7.286 -5.954 3.645 1.00 0.00 C ATOM 183 O ASN A 21 6.913 -5.741 2.493 1.00 0.00 O ATOM 184 CB ASN A 21 8.997 -7.789 3.770 1.00 0.00 C ATOM 185 CG ASN A 21 8.150 -8.641 4.698 1.00 0.00 C ATOM 186 OD1 ASN A 21 8.524 -8.886 5.844 1.00 0.00 O ATOM 187 ND2 ASN A 21 7.019 -9.120 4.202 1.00 0.00 N ATOM 0 H ASN A 21 8.568 -5.936 6.004 1.00 0.00 H new ATOM 0 HA ASN A 21 9.338 -5.728 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.791 -8.074 2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.050 -8.001 3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.422 -9.716 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.745 -8.893 3.246 1.00 0.00 H new ATOM 194 N ASN A 22 6.451 -5.916 4.679 1.00 0.00 N ATOM 195 CA ASN A 22 5.007 -6.005 4.463 1.00 0.00 C ATOM 196 C ASN A 22 4.285 -4.673 4.622 1.00 0.00 C ATOM 197 O ASN A 22 4.289 -4.066 5.691 1.00 0.00 O ATOM 198 CB ASN A 22 4.393 -7.043 5.405 1.00 0.00 C ATOM 199 CG ASN A 22 2.898 -7.230 5.198 1.00 0.00 C ATOM 200 OD1 ASN A 22 2.170 -7.542 6.136 1.00 0.00 O ATOM 201 ND2 ASN A 22 2.434 -7.071 3.969 1.00 0.00 N ATOM 0 H ASN A 22 6.738 -5.826 5.654 1.00 0.00 H new ATOM 0 HA ASN A 22 4.873 -6.312 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.896 -7.999 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.575 -6.741 6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.442 -7.208 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.069 -6.811 3.214 1.00 0.00 H new ATOM 208 N PHE A 23 3.649 -4.250 3.540 1.00 0.00 N ATOM 209 CA PHE A 23 2.793 -3.082 3.533 1.00 0.00 C ATOM 210 C PHE A 23 1.353 -3.489 3.834 1.00 0.00 C ATOM 211 O PHE A 23 0.904 -4.556 3.413 1.00 0.00 O ATOM 212 CB PHE A 23 2.888 -2.392 2.167 1.00 0.00 C ATOM 213 CG PHE A 23 3.036 -3.348 1.006 1.00 0.00 C ATOM 214 CD1 PHE A 23 4.297 -3.746 0.582 1.00 0.00 C ATOM 215 CD2 PHE A 23 1.922 -3.856 0.342 1.00 0.00 C ATOM 216 CE1 PHE A 23 4.446 -4.628 -0.470 1.00 0.00 C ATOM 217 CE2 PHE A 23 2.071 -4.736 -0.712 1.00 0.00 C ATOM 218 CZ PHE A 23 3.333 -5.124 -1.118 1.00 0.00 C ATOM 0 H PHE A 23 3.716 -4.715 2.635 1.00 0.00 H new ATOM 0 HA PHE A 23 3.118 -2.384 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.995 -1.786 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.738 -1.710 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.173 -3.360 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.932 -3.559 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.434 -4.930 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.199 -5.121 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.448 -5.814 -1.941 1.00 0.00 H new ATOM 228 N GLY A 24 0.633 -2.653 4.570 1.00 0.00 N ATOM 229 CA GLY A 24 -0.732 -2.980 4.917 1.00 0.00 C ATOM 230 C GLY A 24 -1.663 -1.795 4.794 1.00 0.00 C ATOM 231 O GLY A 24 -1.361 -0.825 4.103 1.00 0.00 O ATOM 0 H GLY A 24 0.969 -1.760 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.085 -3.783 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.763 -3.357 5.939 1.00 0.00 H new ATOM 235 N ALA A 25 -2.790 -1.867 5.481 1.00 0.00 N ATOM 236 CA ALA A 25 -3.789 -0.821 5.439 1.00 0.00 C ATOM 237 C ALA A 25 -4.406 -0.650 6.812 1.00 0.00 C ATOM 238 O ALA A 25 -4.217 -1.489 7.682 1.00 0.00 O ATOM 239 CB ALA A 25 -4.845 -1.142 4.390 1.00 0.00 C ATOM 0 H ALA A 25 -3.035 -2.653 6.083 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.318 0.121 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.590 -0.347 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.373 -1.223 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.329 -2.087 4.638 1.00 0.00 H new ATOM 245 N ILE A 26 -5.088 0.457 7.022 1.00 0.00 N ATOM 246 CA ILE A 26 -5.737 0.716 8.295 1.00 0.00 C ATOM 247 C ILE A 26 -6.810 1.785 8.147 1.00 0.00 C ATOM 248 O ILE A 26 -6.596 2.807 7.499 1.00 0.00 O ATOM 249 CB ILE A 26 -4.721 1.132 9.377 1.00 0.00 C ATOM 250 CG1 ILE A 26 -5.451 1.506 10.666 1.00 0.00 C ATOM 251 CG2 ILE A 26 -3.854 2.288 8.897 1.00 0.00 C ATOM 252 CD1 ILE A 26 -4.532 1.614 11.848 1.00 0.00 C ATOM 0 H ILE A 26 -5.209 1.194 6.328 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.207 -0.214 8.614 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.066 0.284 9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.965 2.457 10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.216 0.758 10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.146 2.561 9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.308 1.987 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.486 3.145 8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.108 1.882 12.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.037 0.657 12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.782 2.382 11.657 1.00 0.00 H new ATOM 264 N LEU A 27 -7.961 1.541 8.742 1.00 0.00 N ATOM 265 CA LEU A 27 -9.051 2.494 8.712 1.00 0.00 C ATOM 266 C LEU A 27 -8.952 3.490 9.848 1.00 0.00 C ATOM 267 O LEU A 27 -8.338 3.230 10.882 1.00 0.00 O ATOM 268 CB LEU A 27 -10.396 1.796 8.780 1.00 0.00 C ATOM 269 CG LEU A 27 -10.866 1.148 7.488 1.00 0.00 C ATOM 270 CD1 LEU A 27 -12.258 0.616 7.686 1.00 0.00 C ATOM 271 CD2 LEU A 27 -10.858 2.141 6.343 1.00 0.00 C ATOM 0 H LEU A 27 -8.165 0.684 9.256 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.971 3.028 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.349 1.030 9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.146 2.521 9.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.184 0.336 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.604 0.149 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.255 -0.123 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.926 1.435 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.199 1.649 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.523 2.972 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.846 2.517 6.195 1.00 0.00 H new ATOM 283 N SER A 28 -9.532 4.645 9.619 1.00 0.00 N ATOM 284 CA SER A 28 -9.523 5.725 10.583 1.00 0.00 C ATOM 285 C SER A 28 -10.869 6.439 10.564 1.00 0.00 C ATOM 286 O SER A 28 -11.334 6.874 9.511 1.00 0.00 O ATOM 287 CB SER A 28 -8.389 6.699 10.262 1.00 0.00 C ATOM 288 OG SER A 28 -7.134 6.035 10.273 1.00 0.00 O ATOM 0 H SER A 28 -10.027 4.865 8.754 1.00 0.00 H new ATOM 0 HA SER A 28 -9.357 5.321 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.558 7.151 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.383 7.509 10.991 1.00 0.00 H new ATOM 0 HG SER A 28 -6.423 6.676 10.064 1.00 0.00 H new ATOM 334 N GLU B 15 9.686 -0.743 12.848 1.00 0.00 N ATOM 335 CA GLU B 15 8.446 -0.063 13.172 1.00 0.00 C ATOM 336 C GLU B 15 7.455 -0.196 12.027 1.00 0.00 C ATOM 337 O GLU B 15 7.782 -0.717 10.959 1.00 0.00 O ATOM 338 CB GLU B 15 8.715 1.419 13.443 1.00 0.00 C ATOM 339 CG GLU B 15 9.187 2.183 12.214 1.00 0.00 C ATOM 340 CD GLU B 15 9.402 3.657 12.484 1.00 0.00 C ATOM 341 OE1 GLU B 15 10.571 4.099 12.491 1.00 0.00 O ATOM 342 OE2 GLU B 15 8.404 4.384 12.685 1.00 0.00 O ATOM 0 HA GLU B 15 8.023 -0.523 14.065 1.00 0.00 H new ATOM 0 HB2 GLU B 15 7.804 1.882 13.822 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.467 1.507 14.227 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.118 1.745 11.855 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.453 2.068 11.417 1.00 0.00 H new ATOM 349 N ILE B 16 6.240 0.260 12.260 1.00 0.00 N ATOM 350 CA ILE B 16 5.243 0.326 11.215 1.00 0.00 C ATOM 351 C ILE B 16 4.960 1.778 10.871 1.00 0.00 C ATOM 352 O ILE B 16 4.465 2.536 11.706 1.00 0.00 O ATOM 353 CB ILE B 16 3.947 -0.369 11.650 1.00 0.00 C ATOM 354 CG1 ILE B 16 4.249 -1.814 12.041 1.00 0.00 C ATOM 355 CG2 ILE B 16 2.917 -0.319 10.536 1.00 0.00 C ATOM 356 CD1 ILE B 16 3.104 -2.506 12.731 1.00 0.00 C ATOM 0 H ILE B 16 5.920 0.592 13.170 1.00 0.00 H new ATOM 0 HA ILE B 16 5.629 -0.190 10.335 1.00 0.00 H new ATOM 0 HB ILE B 16 3.534 0.153 12.513 1.00 0.00 H new ATOM 0 HG12 ILE B 16 4.515 -2.375 11.145 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.120 -1.829 12.697 1.00 0.00 H new ATOM 0 HG21 ILE B 16 2.004 -0.817 10.862 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.696 0.720 10.291 1.00 0.00 H new ATOM 0 HG23 ILE B 16 3.310 -0.824 9.654 1.00 0.00 H new ATOM 0 HD11 ILE B 16 3.392 -3.528 12.978 1.00 0.00 H new ATOM 0 HD12 ILE B 16 2.852 -1.969 13.645 1.00 0.00 H new ATOM 0 HD13 ILE B 16 2.238 -2.523 12.070 1.00 0.00 H new ATOM 368 N VAL B 17 5.294 2.171 9.655 1.00 0.00 N ATOM 369 CA VAL B 17 5.129 3.554 9.246 1.00 0.00 C ATOM 370 C VAL B 17 3.824 3.776 8.509 1.00 0.00 C ATOM 371 O VAL B 17 3.500 3.073 7.560 1.00 0.00 O ATOM 372 CB VAL B 17 6.299 4.066 8.382 1.00 0.00 C ATOM 373 CG1 VAL B 17 7.454 4.495 9.266 1.00 0.00 C ATOM 374 CG2 VAL B 17 6.768 3.030 7.386 1.00 0.00 C ATOM 0 H VAL B 17 5.679 1.557 8.938 1.00 0.00 H new ATOM 0 HA VAL B 17 5.116 4.128 10.172 1.00 0.00 H new ATOM 0 HB VAL B 17 5.934 4.923 7.817 1.00 0.00 H new ATOM 0 HG11 VAL B 17 8.274 4.855 8.644 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.126 5.294 9.931 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.794 3.646 9.859 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.593 3.436 6.800 1.00 0.00 H new ATOM 0 HG22 VAL B 17 7.104 2.140 7.918 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.946 2.766 6.721 1.00 0.00 H new ATOM 384 N TYR B 18 3.078 4.753 8.983 1.00 0.00 N ATOM 385 CA TYR B 18 1.831 5.162 8.357 1.00 0.00 C ATOM 386 C TYR B 18 2.103 6.252 7.329 1.00 0.00 C ATOM 387 O TYR B 18 2.626 7.313 7.670 1.00 0.00 O ATOM 388 CB TYR B 18 0.853 5.707 9.403 1.00 0.00 C ATOM 389 CG TYR B 18 0.479 4.731 10.498 1.00 0.00 C ATOM 390 CD1 TYR B 18 -0.750 4.087 10.484 1.00 0.00 C ATOM 391 CD2 TYR B 18 1.344 4.467 11.553 1.00 0.00 C ATOM 392 CE1 TYR B 18 -1.107 3.212 11.487 1.00 0.00 C ATOM 393 CE2 TYR B 18 0.996 3.587 12.559 1.00 0.00 C ATOM 394 CZ TYR B 18 -0.231 2.963 12.522 1.00 0.00 C ATOM 395 OH TYR B 18 -0.585 2.089 13.524 1.00 0.00 O ATOM 0 H TYR B 18 3.318 5.290 9.817 1.00 0.00 H new ATOM 0 HA TYR B 18 1.392 4.290 7.873 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.291 6.594 9.861 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.057 6.027 8.896 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.438 4.275 9.673 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.305 4.958 11.587 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.070 2.723 11.462 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.682 3.390 13.370 1.00 0.00 H new ATOM 0 HH TYR B 18 0.145 2.025 14.175 1.00 0.00 H new ATOM 405 N LEU B 19 1.789 5.981 6.074 1.00 0.00 N ATOM 406 CA LEU B 19 1.891 6.986 5.034 1.00 0.00 C ATOM 407 C LEU B 19 0.493 7.459 4.632 1.00 0.00 C ATOM 408 O LEU B 19 -0.127 6.895 3.732 1.00 0.00 O ATOM 409 CB LEU B 19 2.630 6.431 3.807 1.00 0.00 C ATOM 410 CG LEU B 19 4.037 5.922 4.021 1.00 0.00 C ATOM 411 CD1 LEU B 19 4.821 6.964 4.745 1.00 0.00 C ATOM 412 CD2 LEU B 19 4.053 4.587 4.752 1.00 0.00 C ATOM 0 H LEU B 19 1.461 5.071 5.752 1.00 0.00 H new ATOM 0 HA LEU B 19 2.461 7.830 5.424 1.00 0.00 H new ATOM 0 HB2 LEU B 19 2.035 5.616 3.394 1.00 0.00 H new ATOM 0 HB3 LEU B 19 2.666 7.215 3.051 1.00 0.00 H new ATOM 0 HG LEU B 19 4.501 5.736 3.052 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.839 6.608 4.905 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.846 7.878 4.152 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.352 7.169 5.708 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.083 4.257 4.885 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.580 4.700 5.727 1.00 0.00 H new ATOM 0 HD23 LEU B 19 3.508 3.846 4.168 1.00 0.00 H new ATOM 424 N PRO B 20 -0.028 8.499 5.301 1.00 0.00 N ATOM 425 CA PRO B 20 -1.391 8.974 5.080 1.00 0.00 C ATOM 426 C PRO B 20 -1.509 9.980 3.936 1.00 0.00 C ATOM 427 O PRO B 20 -2.559 10.091 3.307 1.00 0.00 O ATOM 428 CB PRO B 20 -1.725 9.643 6.409 1.00 0.00 C ATOM 429 CG PRO B 20 -0.423 10.174 6.911 1.00 0.00 C ATOM 430 CD PRO B 20 0.661 9.285 6.346 1.00 0.00 C ATOM 0 HA PRO B 20 -2.060 8.163 4.792 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -2.453 10.443 6.276 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -2.158 8.931 7.112 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -0.279 11.207 6.594 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -0.398 10.168 8.001 1.00 0.00 H new ATOM 0 HD2 PRO B 20 1.480 9.871 5.929 1.00 0.00 H new ATOM 0 HD3 PRO B 20 1.088 8.640 7.114 1.00 0.00 H new ATOM 438 N ASN B 21 -0.430 10.700 3.661 1.00 0.00 N ATOM 439 CA ASN B 21 -0.476 11.789 2.691 1.00 0.00 C ATOM 440 C ASN B 21 0.096 11.357 1.349 1.00 0.00 C ATOM 441 O ASN B 21 0.540 12.186 0.562 1.00 0.00 O ATOM 442 CB ASN B 21 0.304 13.003 3.196 1.00 0.00 C ATOM 443 CG ASN B 21 -0.138 13.481 4.566 1.00 0.00 C ATOM 444 OD1 ASN B 21 -1.304 13.360 4.941 1.00 0.00 O ATOM 445 ND2 ASN B 21 0.799 14.031 5.323 1.00 0.00 N ATOM 0 H ASN B 21 0.483 10.552 4.092 1.00 0.00 H new ATOM 0 HA ASN B 21 -1.524 12.059 2.562 1.00 0.00 H new ATOM 0 HB2 ASN B 21 1.365 12.754 3.232 1.00 0.00 H new ATOM 0 HB3 ASN B 21 0.192 13.819 2.482 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.566 14.373 6.255 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.754 14.112 4.974 1.00 0.00 H new ATOM 452 N LEU B 22 0.115 10.064 1.094 1.00 0.00 N ATOM 453 CA LEU B 22 0.584 9.568 -0.188 1.00 0.00 C ATOM 454 C LEU B 22 -0.524 9.634 -1.221 1.00 0.00 C ATOM 455 O LEU B 22 -1.707 9.655 -0.883 1.00 0.00 O ATOM 456 CB LEU B 22 1.091 8.132 -0.080 1.00 0.00 C ATOM 457 CG LEU B 22 2.390 7.950 0.699 1.00 0.00 C ATOM 458 CD1 LEU B 22 2.862 6.512 0.602 1.00 0.00 C ATOM 459 CD2 LEU B 22 3.467 8.878 0.195 1.00 0.00 C ATOM 0 H LEU B 22 -0.185 9.342 1.749 1.00 0.00 H new ATOM 0 HA LEU B 22 1.412 10.205 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU B 22 0.317 7.527 0.392 1.00 0.00 H new ATOM 0 HB3 LEU B 22 1.234 7.739 -1.087 1.00 0.00 H new ATOM 0 HG LEU B 22 2.191 8.195 1.742 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.790 6.395 1.162 1.00 0.00 H new ATOM 0 HD12 LEU B 22 2.102 5.851 1.017 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.034 6.255 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.379 8.723 0.771 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.662 8.671 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.138 9.911 0.307 1.00 0.00 H new ATOM 471 N ASN B 23 -0.130 9.673 -2.478 1.00 0.00 N ATOM 472 CA ASN B 23 -1.085 9.718 -3.572 1.00 0.00 C ATOM 473 C ASN B 23 -1.251 8.322 -4.155 1.00 0.00 C ATOM 474 O ASN B 23 -0.311 7.528 -4.103 1.00 0.00 O ATOM 475 CB ASN B 23 -0.609 10.677 -4.666 1.00 0.00 C ATOM 476 CG ASN B 23 -0.269 12.062 -4.149 1.00 0.00 C ATOM 477 OD1 ASN B 23 -0.901 12.573 -3.225 1.00 0.00 O ATOM 478 ND2 ASN B 23 0.753 12.668 -4.733 1.00 0.00 N ATOM 0 H ASN B 23 0.847 9.675 -2.770 1.00 0.00 H new ATOM 0 HA ASN B 23 -2.041 10.076 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN B 23 0.270 10.253 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -1.385 10.762 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.043 13.594 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.250 12.209 -5.496 1.00 0.00 H new ATOM 485 N PRO B 24 -2.436 7.990 -4.687 1.00 0.00 N ATOM 486 CA PRO B 24 -2.706 6.664 -5.260 1.00 0.00 C ATOM 487 C PRO B 24 -1.598 6.178 -6.199 1.00 0.00 C ATOM 488 O PRO B 24 -1.049 5.091 -6.004 1.00 0.00 O ATOM 489 CB PRO B 24 -4.012 6.876 -6.022 1.00 0.00 C ATOM 490 CG PRO B 24 -4.703 7.961 -5.275 1.00 0.00 C ATOM 491 CD PRO B 24 -3.621 8.866 -4.753 1.00 0.00 C ATOM 0 HA PRO B 24 -2.761 5.893 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -3.826 7.162 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -4.611 5.966 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -5.387 8.507 -5.925 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -5.297 7.553 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -3.455 9.715 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -3.875 9.271 -3.773 1.00 0.00 H new ATOM 499 N ASP B 25 -1.251 6.998 -7.192 1.00 0.00 N ATOM 500 CA ASP B 25 -0.209 6.642 -8.159 1.00 0.00 C ATOM 501 C ASP B 25 1.121 6.394 -7.460 1.00 0.00 C ATOM 502 O ASP B 25 1.849 5.463 -7.798 1.00 0.00 O ATOM 503 CB ASP B 25 -0.033 7.741 -9.213 1.00 0.00 C ATOM 504 CG ASP B 25 -1.185 7.809 -10.195 1.00 0.00 C ATOM 505 OD1 ASP B 25 -1.145 7.096 -11.220 1.00 0.00 O ATOM 506 OD2 ASP B 25 -2.132 8.585 -9.955 1.00 0.00 O ATOM 0 H ASP B 25 -1.675 7.912 -7.349 1.00 0.00 H new ATOM 0 HA ASP B 25 -0.528 5.725 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP B 25 0.068 8.704 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP B 25 0.894 7.567 -9.760 1.00 0.00 H new ATOM 511 N GLN B 26 1.434 7.241 -6.490 1.00 0.00 N ATOM 512 CA GLN B 26 2.641 7.103 -5.704 1.00 0.00 C ATOM 513 C GLN B 26 2.664 5.779 -4.946 1.00 0.00 C ATOM 514 O GLN B 26 3.713 5.152 -4.829 1.00 0.00 O ATOM 515 CB GLN B 26 2.760 8.285 -4.747 1.00 0.00 C ATOM 516 CG GLN B 26 3.282 9.559 -5.406 1.00 0.00 C ATOM 517 CD GLN B 26 2.503 10.009 -6.632 1.00 0.00 C ATOM 518 OE1 GLN B 26 1.291 9.839 -6.721 1.00 0.00 O ATOM 519 NE2 GLN B 26 3.203 10.577 -7.596 1.00 0.00 N ATOM 0 H GLN B 26 0.856 8.040 -6.230 1.00 0.00 H new ATOM 0 HA GLN B 26 3.499 7.100 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN B 26 1.782 8.487 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN B 26 3.425 8.012 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN B 26 3.270 10.363 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN B 26 4.323 9.404 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN B 26 4.210 10.703 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN B 26 2.737 10.890 -8.448 1.00 0.00 H new ATOM 528 N LEU B 27 1.513 5.349 -4.432 1.00 0.00 N ATOM 529 CA LEU B 27 1.411 4.028 -3.825 1.00 0.00 C ATOM 530 C LEU B 27 1.681 2.950 -4.864 1.00 0.00 C ATOM 531 O LEU B 27 2.422 2.003 -4.605 1.00 0.00 O ATOM 532 CB LEU B 27 0.038 3.803 -3.181 1.00 0.00 C ATOM 533 CG LEU B 27 -0.230 4.605 -1.917 1.00 0.00 C ATOM 534 CD1 LEU B 27 -1.634 4.339 -1.417 1.00 0.00 C ATOM 535 CD2 LEU B 27 0.789 4.262 -0.850 1.00 0.00 C ATOM 0 H LEU B 27 0.649 5.890 -4.424 1.00 0.00 H new ATOM 0 HA LEU B 27 2.162 3.969 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.732 4.044 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.065 2.743 -2.947 1.00 0.00 H new ATOM 0 HG LEU B 27 -0.140 5.666 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -1.814 4.919 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.354 4.629 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.747 3.278 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU B 27 0.585 4.844 0.049 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.727 3.199 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.790 4.496 -1.214 1.00 0.00 H new ATOM 547 N CYS B 28 1.089 3.109 -6.044 1.00 0.00 N ATOM 548 CA CYS B 28 1.319 2.186 -7.150 1.00 0.00 C ATOM 549 C CYS B 28 2.813 2.048 -7.428 1.00 0.00 C ATOM 550 O CYS B 28 3.316 0.945 -7.639 1.00 0.00 O ATOM 551 CB CYS B 28 0.606 2.677 -8.412 1.00 0.00 C ATOM 552 SG CYS B 28 -1.182 2.950 -8.202 1.00 0.00 S ATOM 0 H CYS B 28 0.445 3.870 -6.259 1.00 0.00 H new ATOM 0 HA CYS B 28 0.918 1.212 -6.869 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.068 3.609 -8.738 1.00 0.00 H new ATOM 0 HB3 CYS B 28 0.760 1.949 -9.209 1.00 0.00 H new ATOM 557 N ALA B 29 3.513 3.177 -7.403 1.00 0.00 N ATOM 558 CA ALA B 29 4.947 3.205 -7.642 1.00 0.00 C ATOM 559 C ALA B 29 5.715 2.592 -6.474 1.00 0.00 C ATOM 560 O ALA B 29 6.501 1.665 -6.659 1.00 0.00 O ATOM 561 CB ALA B 29 5.407 4.634 -7.889 1.00 0.00 C ATOM 0 H ALA B 29 3.103 4.092 -7.217 1.00 0.00 H new ATOM 0 HA ALA B 29 5.156 2.606 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA B 29 6.482 4.644 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.891 5.037 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.178 5.246 -7.017 1.00 0.00 H new ATOM 567 N PHE B 30 5.459 3.101 -5.273 1.00 0.00 N ATOM 568 CA PHE B 30 6.175 2.680 -4.077 1.00 0.00 C ATOM 569 C PHE B 30 6.017 1.181 -3.826 1.00 0.00 C ATOM 570 O PHE B 30 7.000 0.476 -3.598 1.00 0.00 O ATOM 571 CB PHE B 30 5.679 3.504 -2.878 1.00 0.00 C ATOM 572 CG PHE B 30 5.722 2.789 -1.560 1.00 0.00 C ATOM 573 CD1 PHE B 30 6.925 2.518 -0.931 1.00 0.00 C ATOM 574 CD2 PHE B 30 4.546 2.395 -0.952 1.00 0.00 C ATOM 575 CE1 PHE B 30 6.950 1.861 0.285 1.00 0.00 C ATOM 576 CE2 PHE B 30 4.563 1.738 0.264 1.00 0.00 C ATOM 577 CZ PHE B 30 5.768 1.472 0.883 1.00 0.00 C ATOM 0 H PHE B 30 4.751 3.815 -5.103 1.00 0.00 H new ATOM 0 HA PHE B 30 7.240 2.861 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE B 30 6.281 4.409 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE B 30 4.653 3.819 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE B 30 7.852 2.822 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE B 30 3.601 2.603 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE B 30 7.894 1.652 0.767 1.00 0.00 H new ATOM 0 HE2 PHE B 30 3.637 1.434 0.728 1.00 0.00 H new ATOM 0 HZ PHE B 30 5.786 0.960 1.834 1.00 0.00 H new ATOM 587 N ILE B 31 4.786 0.695 -3.894 1.00 0.00 N ATOM 588 CA ILE B 31 4.511 -0.711 -3.643 1.00 0.00 C ATOM 589 C ILE B 31 5.136 -1.584 -4.721 1.00 0.00 C ATOM 590 O ILE B 31 5.639 -2.677 -4.448 1.00 0.00 O ATOM 591 CB ILE B 31 2.997 -0.969 -3.557 1.00 0.00 C ATOM 592 CG1 ILE B 31 2.397 -0.154 -2.411 1.00 0.00 C ATOM 593 CG2 ILE B 31 2.714 -2.450 -3.361 1.00 0.00 C ATOM 594 CD1 ILE B 31 0.890 -0.137 -2.409 1.00 0.00 C ATOM 0 H ILE B 31 3.963 1.253 -4.121 1.00 0.00 H new ATOM 0 HA ILE B 31 4.958 -0.973 -2.684 1.00 0.00 H new ATOM 0 HB ILE B 31 2.535 -0.658 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.749 -0.561 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE B 31 2.764 0.871 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.637 -2.610 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.120 -3.012 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.182 -2.791 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.534 0.459 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE B 31 0.530 0.298 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.515 -1.156 -2.315 1.00 0.00 H new ATOM 606 N HIS B 32 5.131 -1.079 -5.940 1.00 0.00 N ATOM 607 CA HIS B 32 5.744 -1.787 -7.053 1.00 0.00 C ATOM 608 C HIS B 32 7.251 -1.846 -6.860 1.00 0.00 C ATOM 609 O HIS B 32 7.886 -2.841 -7.191 1.00 0.00 O ATOM 610 CB HIS B 32 5.414 -1.108 -8.385 1.00 0.00 C ATOM 611 CG HIS B 32 5.859 -1.887 -9.586 1.00 0.00 C ATOM 612 ND1 HIS B 32 6.890 -1.487 -10.410 1.00 0.00 N ATOM 613 CD2 HIS B 32 5.399 -3.050 -10.102 1.00 0.00 C ATOM 614 CE1 HIS B 32 7.043 -2.371 -11.379 1.00 0.00 C ATOM 615 NE2 HIS B 32 6.153 -3.327 -11.214 1.00 0.00 N ATOM 0 H HIS B 32 4.711 -0.183 -6.187 1.00 0.00 H new ATOM 0 HA HIS B 32 5.342 -2.800 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.337 -0.949 -8.445 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.883 -0.124 -8.407 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.589 -3.649 -9.711 1.00 0.00 H new ATOM 0 HE1 HIS B 32 7.774 -2.319 -12.172 1.00 0.00 H new ATOM 0 HE2 HIS B 32 6.042 -4.143 -11.816 1.00 0.00 H new ATOM 624 N SER B 33 7.809 -0.783 -6.297 1.00 0.00 N ATOM 625 CA SER B 33 9.243 -0.696 -6.071 1.00 0.00 C ATOM 626 C SER B 33 9.692 -1.683 -4.993 1.00 0.00 C ATOM 627 O SER B 33 10.809 -2.186 -5.036 1.00 0.00 O ATOM 628 CB SER B 33 9.628 0.731 -5.680 1.00 0.00 C ATOM 629 OG SER B 33 9.203 1.663 -6.660 1.00 0.00 O ATOM 0 H SER B 33 7.285 0.036 -5.987 1.00 0.00 H new ATOM 0 HA SER B 33 9.751 -0.959 -6.999 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.180 0.981 -4.718 1.00 0.00 H new ATOM 0 HB3 SER B 33 10.709 0.798 -5.555 1.00 0.00 H new ATOM 0 HG SER B 33 8.225 1.722 -6.653 1.00 0.00 H new ATOM 635 N ILE B 34 8.814 -1.967 -4.036 1.00 0.00 N ATOM 636 CA ILE B 34 9.113 -2.948 -2.995 1.00 0.00 C ATOM 637 C ILE B 34 9.201 -4.345 -3.590 1.00 0.00 C ATOM 638 O ILE B 34 10.080 -5.131 -3.243 1.00 0.00 O ATOM 639 CB ILE B 34 8.039 -2.955 -1.885 1.00 0.00 C ATOM 640 CG1 ILE B 34 7.953 -1.585 -1.209 1.00 0.00 C ATOM 641 CG2 ILE B 34 8.340 -4.039 -0.855 1.00 0.00 C ATOM 642 CD1 ILE B 34 9.223 -1.180 -0.486 1.00 0.00 C ATOM 0 H ILE B 34 7.893 -1.535 -3.959 1.00 0.00 H new ATOM 0 HA ILE B 34 10.070 -2.662 -2.558 1.00 0.00 H new ATOM 0 HB ILE B 34 7.075 -3.173 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.719 -0.832 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.127 -1.592 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE B 34 7.573 -4.029 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.349 -5.013 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.314 -3.851 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE B 34 9.086 -0.198 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE B 34 9.448 -1.911 0.291 1.00 0.00 H new ATOM 0 HD13 ILE B 34 10.049 -1.139 -1.196 1.00 0.00 H new ATOM 654 N HIS B 35 8.282 -4.642 -4.492 1.00 0.00 N ATOM 655 CA HIS B 35 8.224 -5.957 -5.107 1.00 0.00 C ATOM 656 C HIS B 35 9.280 -6.077 -6.200 1.00 0.00 C ATOM 657 O HIS B 35 9.803 -7.160 -6.461 1.00 0.00 O ATOM 658 CB HIS B 35 6.828 -6.201 -5.679 1.00 0.00 C ATOM 659 CG HIS B 35 6.540 -7.644 -5.983 1.00 0.00 C ATOM 660 ND1 HIS B 35 5.779 -8.449 -5.161 1.00 0.00 N ATOM 661 CD2 HIS B 35 6.911 -8.424 -7.027 1.00 0.00 C ATOM 662 CE1 HIS B 35 5.699 -9.658 -5.684 1.00 0.00 C ATOM 663 NE2 HIS B 35 6.376 -9.669 -6.814 1.00 0.00 N ATOM 0 H HIS B 35 7.566 -3.991 -4.815 1.00 0.00 H new ATOM 0 HA HIS B 35 8.429 -6.713 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS B 35 6.086 -5.834 -4.970 1.00 0.00 H new ATOM 0 HB3 HIS B 35 6.713 -5.617 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS B 35 7.515 -8.122 -7.870 1.00 0.00 H new ATOM 0 HE1 HIS B 35 5.168 -10.496 -5.258 1.00 0.00 H new ATOM 0 HE2 HIS B 35 6.485 -10.474 -7.431 1.00 0.00 H new ATOM 672 N ASP B 36 9.581 -4.957 -6.837 1.00 0.00 N ATOM 673 CA ASP B 36 10.598 -4.916 -7.878 1.00 0.00 C ATOM 674 C ASP B 36 11.991 -4.933 -7.266 1.00 0.00 C ATOM 675 O ASP B 36 12.908 -5.553 -7.803 1.00 0.00 O ATOM 676 CB ASP B 36 10.422 -3.672 -8.754 1.00 0.00 C ATOM 677 CG ASP B 36 11.489 -3.555 -9.826 1.00 0.00 C ATOM 678 OD1 ASP B 36 12.221 -2.541 -9.835 1.00 0.00 O ATOM 679 OD2 ASP B 36 11.600 -4.474 -10.667 1.00 0.00 O ATOM 0 H ASP B 36 9.134 -4.059 -6.651 1.00 0.00 H new ATOM 0 HA ASP B 36 10.481 -5.802 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP B 36 9.440 -3.701 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.447 -2.783 -8.124 1.00 0.00 H new ATOM 684 N ASP B 37 12.144 -4.263 -6.134 1.00 0.00 N ATOM 685 CA ASP B 37 13.421 -4.230 -5.444 1.00 0.00 C ATOM 686 C ASP B 37 13.226 -4.379 -3.938 1.00 0.00 C ATOM 687 O ASP B 37 13.188 -3.390 -3.202 1.00 0.00 O ATOM 688 CB ASP B 37 14.164 -2.931 -5.742 1.00 0.00 C ATOM 689 CG ASP B 37 15.650 -3.061 -5.479 1.00 0.00 C ATOM 690 OD1 ASP B 37 16.038 -3.675 -4.460 1.00 0.00 O ATOM 691 OD2 ASP B 37 16.443 -2.559 -6.295 1.00 0.00 O ATOM 0 H ASP B 37 11.400 -3.736 -5.676 1.00 0.00 H new ATOM 0 HA ASP B 37 14.017 -5.067 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP B 37 14.002 -2.650 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP B 37 13.755 -2.129 -5.128 1.00 0.00 H new ATOM 696 N PRO B 38 13.108 -5.623 -3.454 1.00 0.00 N ATOM 697 CA PRO B 38 12.919 -5.902 -2.027 1.00 0.00 C ATOM 698 C PRO B 38 14.194 -5.689 -1.224 1.00 0.00 C ATOM 699 O PRO B 38 14.178 -5.660 0.008 1.00 0.00 O ATOM 700 CB PRO B 38 12.520 -7.371 -2.013 1.00 0.00 C ATOM 701 CG PRO B 38 13.173 -7.947 -3.220 1.00 0.00 C ATOM 702 CD PRO B 38 13.133 -6.862 -4.260 1.00 0.00 C ATOM 0 HA PRO B 38 12.183 -5.239 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO B 38 12.860 -7.866 -1.103 1.00 0.00 H new ATOM 0 HB3 PRO B 38 11.437 -7.488 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.199 -8.246 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO B 38 12.646 -8.838 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO B 38 14.004 -6.899 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO B 38 12.252 -6.946 -4.896 1.00 0.00 H new ATOM 710 N SER B 39 15.296 -5.547 -1.931 1.00 0.00 N ATOM 711 CA SER B 39 16.579 -5.299 -1.296 1.00 0.00 C ATOM 712 C SER B 39 16.690 -3.825 -0.899 1.00 0.00 C ATOM 713 O SER B 39 17.137 -3.501 0.200 1.00 0.00 O ATOM 714 CB SER B 39 17.716 -5.690 -2.249 1.00 0.00 C ATOM 715 OG SER B 39 18.969 -5.746 -1.582 1.00 0.00 O ATOM 0 H SER B 39 15.331 -5.599 -2.949 1.00 0.00 H new ATOM 0 HA SER B 39 16.657 -5.906 -0.394 1.00 0.00 H new ATOM 0 HB2 SER B 39 17.498 -6.660 -2.695 1.00 0.00 H new ATOM 0 HB3 SER B 39 17.771 -4.969 -3.065 1.00 0.00 H new ATOM 0 HG SER B 39 19.668 -6.000 -2.220 1.00 0.00 H new ATOM 721 N GLN B 40 16.249 -2.940 -1.788 1.00 0.00 N ATOM 722 CA GLN B 40 16.233 -1.512 -1.518 1.00 0.00 C ATOM 723 C GLN B 40 15.029 -1.090 -0.688 1.00 0.00 C ATOM 724 O GLN B 40 14.913 0.080 -0.355 1.00 0.00 O ATOM 725 CB GLN B 40 16.241 -0.714 -2.816 1.00 0.00 C ATOM 726 CG GLN B 40 17.472 -0.934 -3.652 1.00 0.00 C ATOM 727 CD GLN B 40 17.698 0.173 -4.662 1.00 0.00 C ATOM 728 OE1 GLN B 40 16.753 0.786 -5.162 1.00 0.00 O ATOM 729 NE2 GLN B 40 18.956 0.443 -4.962 1.00 0.00 N ATOM 0 H GLN B 40 15.895 -3.194 -2.710 1.00 0.00 H new ATOM 0 HA GLN B 40 17.135 -1.301 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN B 40 15.362 -0.981 -3.402 1.00 0.00 H new ATOM 0 HB3 GLN B 40 16.157 0.347 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN B 40 18.342 -1.007 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN B 40 17.385 -1.886 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN B 40 19.710 -0.088 -4.526 1.00 0.00 H new ATOM 0 HE22 GLN B 40 19.174 1.183 -5.630 1.00 0.00 H new ATOM 738 N SER B 41 14.122 -2.027 -0.407 1.00 0.00 N ATOM 739 CA SER B 41 12.852 -1.740 0.280 1.00 0.00 C ATOM 740 C SER B 41 12.985 -0.691 1.396 1.00 0.00 C ATOM 741 O SER B 41 12.140 0.196 1.514 1.00 0.00 O ATOM 742 CB SER B 41 12.281 -3.036 0.852 1.00 0.00 C ATOM 743 OG SER B 41 13.276 -3.753 1.565 1.00 0.00 O ATOM 0 H SER B 41 14.244 -3.011 -0.648 1.00 0.00 H new ATOM 0 HA SER B 41 12.177 -1.316 -0.464 1.00 0.00 H new ATOM 0 HB2 SER B 41 11.445 -2.810 1.514 1.00 0.00 H new ATOM 0 HB3 SER B 41 11.890 -3.654 0.044 1.00 0.00 H new ATOM 0 HG SER B 41 13.513 -4.564 1.069 1.00 0.00 H new ATOM 749 N ALA B 42 14.053 -0.790 2.189 1.00 0.00 N ATOM 750 CA ALA B 42 14.329 0.163 3.269 1.00 0.00 C ATOM 751 C ALA B 42 14.354 1.604 2.760 1.00 0.00 C ATOM 752 O ALA B 42 13.916 2.535 3.435 1.00 0.00 O ATOM 753 CB ALA B 42 15.664 -0.163 3.901 1.00 0.00 C ATOM 0 H ALA B 42 14.750 -1.530 2.103 1.00 0.00 H new ATOM 0 HA ALA B 42 13.528 0.076 4.003 1.00 0.00 H new ATOM 0 HB1 ALA B 42 15.869 0.545 4.704 1.00 0.00 H new ATOM 0 HB2 ALA B 42 15.637 -1.174 4.307 1.00 0.00 H new ATOM 0 HB3 ALA B 42 16.449 -0.095 3.148 1.00 0.00 H new ATOM 759 N ASN B 43 14.891 1.769 1.573 1.00 0.00 N ATOM 760 CA ASN B 43 14.973 3.069 0.924 1.00 0.00 C ATOM 761 C ASN B 43 13.652 3.418 0.244 1.00 0.00 C ATOM 762 O ASN B 43 13.231 4.570 0.249 1.00 0.00 O ATOM 763 CB ASN B 43 16.114 3.073 -0.099 1.00 0.00 C ATOM 764 CG ASN B 43 16.214 4.375 -0.872 1.00 0.00 C ATOM 765 OD1 ASN B 43 15.662 4.504 -1.963 1.00 0.00 O ATOM 766 ND2 ASN B 43 16.924 5.343 -0.319 1.00 0.00 N ATOM 0 H ASN B 43 15.286 1.006 1.024 1.00 0.00 H new ATOM 0 HA ASN B 43 15.175 3.823 1.684 1.00 0.00 H new ATOM 0 HB2 ASN B 43 17.057 2.890 0.416 1.00 0.00 H new ATOM 0 HB3 ASN B 43 15.969 2.251 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN B 43 17.029 6.237 -0.799 1.00 0.00 H new ATOM 0 HD22 ASN B 43 17.367 5.196 0.588 1.00 0.00 H new ATOM 773 N LEU B 44 12.987 2.415 -0.318 1.00 0.00 N ATOM 774 CA LEU B 44 11.729 2.645 -1.021 1.00 0.00 C ATOM 775 C LEU B 44 10.636 3.151 -0.083 1.00 0.00 C ATOM 776 O LEU B 44 9.826 3.994 -0.475 1.00 0.00 O ATOM 777 CB LEU B 44 11.247 1.387 -1.756 1.00 0.00 C ATOM 778 CG LEU B 44 11.924 1.096 -3.104 1.00 0.00 C ATOM 779 CD1 LEU B 44 12.205 2.383 -3.855 1.00 0.00 C ATOM 780 CD2 LEU B 44 13.200 0.303 -2.927 1.00 0.00 C ATOM 0 H LEU B 44 13.294 1.442 -0.302 1.00 0.00 H new ATOM 0 HA LEU B 44 11.930 3.419 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.398 0.528 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU B 44 10.173 1.476 -1.922 1.00 0.00 H new ATOM 0 HG LEU B 44 11.232 0.492 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.684 2.152 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.268 2.909 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.865 3.015 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.651 0.116 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.897 0.868 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.974 -0.648 -2.444 1.00 0.00 H new ATOM 792 N LEU B 45 10.599 2.661 1.156 1.00 0.00 N ATOM 793 CA LEU B 45 9.585 3.140 2.091 1.00 0.00 C ATOM 794 C LEU B 45 10.075 4.405 2.786 1.00 0.00 C ATOM 795 O LEU B 45 9.290 5.157 3.363 1.00 0.00 O ATOM 796 CB LEU B 45 9.166 2.066 3.112 1.00 0.00 C ATOM 797 CG LEU B 45 9.971 2.000 4.411 1.00 0.00 C ATOM 798 CD1 LEU B 45 9.154 1.318 5.492 1.00 0.00 C ATOM 799 CD2 LEU B 45 11.267 1.248 4.213 1.00 0.00 C ATOM 0 H LEU B 45 11.237 1.956 1.526 1.00 0.00 H new ATOM 0 HA LEU B 45 8.690 3.375 1.515 1.00 0.00 H new ATOM 0 HB2 LEU B 45 8.119 2.231 3.369 1.00 0.00 H new ATOM 0 HB3 LEU B 45 9.226 1.093 2.625 1.00 0.00 H new ATOM 0 HG LEU B 45 10.205 3.021 4.713 1.00 0.00 H new ATOM 0 HD11 LEU B 45 9.734 1.275 6.414 1.00 0.00 H new ATOM 0 HD12 LEU B 45 8.238 1.882 5.666 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.902 0.306 5.174 1.00 0.00 H new ATOM 0 HD21 LEU B 45 11.817 1.218 5.153 1.00 0.00 H new ATOM 0 HD22 LEU B 45 11.051 0.231 3.886 1.00 0.00 H new ATOM 0 HD23 LEU B 45 11.868 1.752 3.457 1.00 0.00 H new ATOM 811 N ALA B 46 11.382 4.641 2.708 1.00 0.00 N ATOM 812 CA ALA B 46 11.967 5.894 3.165 1.00 0.00 C ATOM 813 C ALA B 46 11.406 7.040 2.347 1.00 0.00 C ATOM 814 O ALA B 46 11.025 8.087 2.875 1.00 0.00 O ATOM 815 CB ALA B 46 13.474 5.855 3.012 1.00 0.00 C ATOM 0 H ALA B 46 12.057 3.976 2.330 1.00 0.00 H new ATOM 0 HA ALA B 46 11.721 6.037 4.217 1.00 0.00 H new ATOM 0 HB1 ALA B 46 13.899 6.797 3.357 1.00 0.00 H new ATOM 0 HB2 ALA B 46 13.879 5.035 3.606 1.00 0.00 H new ATOM 0 HB3 ALA B 46 13.729 5.704 1.963 1.00 0.00 H new ATOM 821 N GLU B 47 11.358 6.808 1.044 1.00 0.00 N ATOM 822 CA GLU B 47 10.787 7.752 0.103 1.00 0.00 C ATOM 823 C GLU B 47 9.350 8.037 0.456 1.00 0.00 C ATOM 824 O GLU B 47 8.948 9.183 0.546 1.00 0.00 O ATOM 825 CB GLU B 47 10.867 7.188 -1.304 1.00 0.00 C ATOM 826 CG GLU B 47 12.278 6.849 -1.707 1.00 0.00 C ATOM 827 CD GLU B 47 12.368 6.302 -3.116 1.00 0.00 C ATOM 828 OE1 GLU B 47 11.440 5.581 -3.538 1.00 0.00 O ATOM 829 OE2 GLU B 47 13.360 6.598 -3.815 1.00 0.00 O ATOM 0 H GLU B 47 11.716 5.957 0.611 1.00 0.00 H new ATOM 0 HA GLU B 47 11.353 8.682 0.152 1.00 0.00 H new ATOM 0 HB2 GLU B 47 10.248 6.293 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU B 47 10.455 7.912 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU B 47 12.898 7.742 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU B 47 12.684 6.116 -1.010 1.00 0.00 H new ATOM 836 N ALA B 48 8.588 6.976 0.674 1.00 0.00 N ATOM 837 CA ALA B 48 7.189 7.104 1.072 1.00 0.00 C ATOM 838 C ALA B 48 7.047 8.011 2.297 1.00 0.00 C ATOM 839 O ALA B 48 6.108 8.807 2.397 1.00 0.00 O ATOM 840 CB ALA B 48 6.596 5.730 1.349 1.00 0.00 C ATOM 0 H ALA B 48 8.913 6.014 0.583 1.00 0.00 H new ATOM 0 HA ALA B 48 6.639 7.564 0.251 1.00 0.00 H new ATOM 0 HB1 ALA B 48 5.552 5.837 1.645 1.00 0.00 H new ATOM 0 HB2 ALA B 48 6.657 5.119 0.448 1.00 0.00 H new ATOM 0 HB3 ALA B 48 7.153 5.248 2.152 1.00 0.00 H new ATOM 846 N LYS B 49 8.002 7.898 3.212 1.00 0.00 N ATOM 847 CA LYS B 49 8.026 8.718 4.415 1.00 0.00 C ATOM 848 C LYS B 49 8.302 10.187 4.095 1.00 0.00 C ATOM 849 O LYS B 49 7.802 11.078 4.776 1.00 0.00 O ATOM 850 CB LYS B 49 9.070 8.175 5.393 1.00 0.00 C ATOM 851 CG LYS B 49 8.592 6.952 6.164 1.00 0.00 C ATOM 852 CD LYS B 49 7.682 7.345 7.317 1.00 0.00 C ATOM 853 CE LYS B 49 8.446 8.072 8.415 1.00 0.00 C ATOM 854 NZ LYS B 49 7.552 8.522 9.512 1.00 0.00 N ATOM 0 H LYS B 49 8.777 7.239 3.141 1.00 0.00 H new ATOM 0 HA LYS B 49 7.040 8.668 4.877 1.00 0.00 H new ATOM 0 HB2 LYS B 49 9.975 7.918 4.842 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.339 8.960 6.100 1.00 0.00 H new ATOM 0 HG2 LYS B 49 8.059 6.280 5.491 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.452 6.403 6.548 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.881 7.984 6.947 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.212 6.452 7.730 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.213 7.412 8.820 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.959 8.934 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 8.113 9.012 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 6.835 9.172 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 7.081 7.698 9.936 1.00 0.00 H new ATOM 868 N LYS B 50 9.089 10.443 3.060 1.00 0.00 N ATOM 869 CA LYS B 50 9.362 11.811 2.644 1.00 0.00 C ATOM 870 C LYS B 50 8.269 12.305 1.700 1.00 0.00 C ATOM 871 O LYS B 50 7.966 13.496 1.644 1.00 0.00 O ATOM 872 CB LYS B 50 10.724 11.900 1.956 1.00 0.00 C ATOM 873 CG LYS B 50 11.189 13.330 1.723 1.00 0.00 C ATOM 874 CD LYS B 50 11.442 14.050 3.039 1.00 0.00 C ATOM 875 CE LYS B 50 11.774 15.517 2.826 1.00 0.00 C ATOM 876 NZ LYS B 50 10.596 16.296 2.356 1.00 0.00 N ATOM 0 H LYS B 50 9.547 9.727 2.496 1.00 0.00 H new ATOM 0 HA LYS B 50 9.376 12.444 3.532 1.00 0.00 H new ATOM 0 HB2 LYS B 50 11.464 11.379 2.563 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.674 11.381 0.999 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.102 13.325 1.127 1.00 0.00 H new ATOM 0 HG3 LYS B 50 10.436 13.871 1.149 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.560 13.966 3.675 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.263 13.565 3.567 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.141 15.944 3.759 1.00 0.00 H new ATOM 0 HE3 LYS B 50 12.580 15.604 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 10.779 17.312 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 10.427 16.096 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.758 16.025 2.909 1.00 0.00 H new ATOM 890 N LEU B 51 7.682 11.372 0.970 1.00 0.00 N ATOM 891 CA LEU B 51 6.619 11.657 0.026 1.00 0.00 C ATOM 892 C LEU B 51 5.397 12.231 0.733 1.00 0.00 C ATOM 893 O LEU B 51 4.897 13.293 0.357 1.00 0.00 O ATOM 894 CB LEU B 51 6.242 10.372 -0.708 1.00 0.00 C ATOM 895 CG LEU B 51 6.710 10.252 -2.157 1.00 0.00 C ATOM 896 CD1 LEU B 51 8.229 10.354 -2.260 1.00 0.00 C ATOM 897 CD2 LEU B 51 6.223 8.941 -2.753 1.00 0.00 C ATOM 0 H LEU B 51 7.934 10.385 1.018 1.00 0.00 H new ATOM 0 HA LEU B 51 6.974 12.401 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU B 51 6.646 9.528 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.156 10.275 -0.691 1.00 0.00 H new ATOM 0 HG LEU B 51 6.284 11.081 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.530 10.265 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.556 11.317 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.688 9.553 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.561 8.863 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.624 8.108 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.134 8.911 -2.724 1.00 0.00 H new ATOM 909 N ASN B 52 4.922 11.533 1.765 1.00 0.00 N ATOM 910 CA ASN B 52 3.765 11.999 2.529 1.00 0.00 C ATOM 911 C ASN B 52 4.126 13.260 3.317 1.00 0.00 C ATOM 912 O ASN B 52 3.255 14.028 3.716 1.00 0.00 O ATOM 913 CB ASN B 52 3.251 10.898 3.474 1.00 0.00 C ATOM 914 CG ASN B 52 3.924 10.903 4.835 1.00 0.00 C ATOM 915 OD1 ASN B 52 5.016 10.172 4.961 1.00 0.00 O flip ATOM 916 ND2 ASN B 52 3.454 11.550 5.769 1.00 0.00 N flip ATOM 0 H ASN B 52 5.317 10.650 2.089 1.00 0.00 H new ATOM 0 HA ASN B 52 2.965 12.241 1.829 1.00 0.00 H new ATOM 0 HB2 ASN B 52 2.176 11.019 3.609 1.00 0.00 H new ATOM 0 HB3 ASN B 52 3.406 9.926 3.005 1.00 0.00 H new ATOM 0 HD21 ASN B 52 2.608 12.103 5.632 1.00 0.00 H new ATOM 0 HD22 ASN B 52 3.910 11.534 6.681 1.00 0.00 H new ATOM 923 N ASP B 53 5.422 13.461 3.523 1.00 0.00 N ATOM 924 CA ASP B 53 5.928 14.650 4.202 1.00 0.00 C ATOM 925 C ASP B 53 5.855 15.864 3.283 1.00 0.00 C ATOM 926 O ASP B 53 5.516 16.966 3.711 1.00 0.00 O ATOM 927 CB ASP B 53 7.374 14.417 4.650 1.00 0.00 C ATOM 928 CG ASP B 53 8.054 15.679 5.144 1.00 0.00 C ATOM 929 OD1 ASP B 53 7.900 16.018 6.336 1.00 0.00 O ATOM 930 OD2 ASP B 53 8.767 16.325 4.343 1.00 0.00 O ATOM 0 H ASP B 53 6.149 12.809 3.227 1.00 0.00 H new ATOM 0 HA ASP B 53 5.308 14.842 5.077 1.00 0.00 H new ATOM 0 HB2 ASP B 53 7.386 13.670 5.444 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.945 14.006 3.817 1.00 0.00 H new ATOM 935 N ALA B 54 6.169 15.650 2.014 1.00 0.00 N ATOM 936 CA ALA B 54 6.130 16.717 1.026 1.00 0.00 C ATOM 937 C ALA B 54 4.700 16.987 0.575 1.00 0.00 C ATOM 938 O ALA B 54 4.377 18.084 0.119 1.00 0.00 O ATOM 939 CB ALA B 54 7.007 16.363 -0.163 1.00 0.00 C ATOM 0 H ALA B 54 6.455 14.744 1.644 1.00 0.00 H new ATOM 0 HA ALA B 54 6.516 17.627 1.486 1.00 0.00 H new ATOM 0 HB1 ALA B 54 6.970 17.169 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA B 54 8.035 16.224 0.172 1.00 0.00 H new ATOM 0 HB3 ALA B 54 6.646 15.441 -0.619 1.00 0.00 H new ATOM 945 N GLN B 55 3.848 15.982 0.711 1.00 0.00 N ATOM 946 CA GLN B 55 2.449 16.104 0.326 1.00 0.00 C ATOM 947 C GLN B 55 1.594 16.431 1.552 1.00 0.00 C ATOM 948 O GLN B 55 0.367 16.337 1.525 1.00 0.00 O ATOM 949 CB GLN B 55 1.977 14.805 -0.341 1.00 0.00 C ATOM 950 CG GLN B 55 0.604 14.889 -1.000 1.00 0.00 C ATOM 951 CD GLN B 55 0.575 15.787 -2.222 1.00 0.00 C ATOM 952 OE1 GLN B 55 1.319 16.764 -2.322 1.00 0.00 O ATOM 953 NE2 GLN B 55 -0.288 15.456 -3.167 1.00 0.00 N ATOM 0 H GLN B 55 4.102 15.068 1.087 1.00 0.00 H new ATOM 0 HA GLN B 55 2.342 16.918 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN B 55 2.709 14.512 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN B 55 1.957 14.014 0.409 1.00 0.00 H new ATOM 0 HG2 GLN B 55 0.285 13.887 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -0.118 15.257 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -0.887 14.639 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -0.355 16.017 -4.016 1.00 0.00 H new ATOM 962 N ALA B 56 2.262 16.816 2.628 1.00 0.00 N ATOM 963 CA ALA B 56 1.594 17.190 3.855 1.00 0.00 C ATOM 964 C ALA B 56 0.979 18.574 3.719 1.00 0.00 C ATOM 965 O ALA B 56 -0.236 18.665 3.452 1.00 0.00 O ATOM 966 CB ALA B 56 2.593 17.154 4.993 1.00 0.00 C ATOM 0 H ALA B 56 3.279 16.876 2.671 1.00 0.00 H new ATOM 0 HA ALA B 56 0.789 16.485 4.064 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.097 17.435 5.922 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.999 16.147 5.089 1.00 0.00 H new ATOM 0 HB3 ALA B 56 3.403 17.854 4.788 1.00 0.00 H new ATOM 973 N GLY C 13 -13.839 0.055 11.335 1.00 0.00 N ATOM 974 CA GLY C 13 -13.569 1.495 11.106 1.00 0.00 C ATOM 975 C GLY C 13 -12.421 2.005 11.951 1.00 0.00 C ATOM 976 O GLY C 13 -12.544 3.024 12.631 1.00 0.00 O ATOM 0 HA2 GLY C 13 -13.342 1.657 10.052 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -14.467 2.071 11.331 1.00 0.00 H new ATOM 980 N GLY C 14 -11.299 1.304 11.898 1.00 0.00 N ATOM 981 CA GLY C 14 -10.148 1.673 12.699 1.00 0.00 C ATOM 982 C GLY C 14 -9.277 0.484 13.020 1.00 0.00 C ATOM 983 O GLY C 14 -8.361 0.573 13.840 1.00 0.00 O ATOM 0 H GLY C 14 -11.163 0.481 11.311 1.00 0.00 H new ATOM 0 HA2 GLY C 14 -9.560 2.420 12.166 1.00 0.00 H new ATOM 0 HA3 GLY C 14 -10.485 2.136 13.626 1.00 0.00 H new ATOM 987 N GLU C 15 -9.573 -0.635 12.381 1.00 0.00 N ATOM 988 CA GLU C 15 -8.756 -1.824 12.497 1.00 0.00 C ATOM 989 C GLU C 15 -7.605 -1.753 11.515 1.00 0.00 C ATOM 990 O GLU C 15 -7.596 -0.919 10.603 1.00 0.00 O ATOM 991 CB GLU C 15 -9.578 -3.092 12.230 1.00 0.00 C ATOM 992 CG GLU C 15 -10.271 -3.128 10.880 1.00 0.00 C ATOM 993 CD GLU C 15 -11.560 -2.329 10.833 1.00 0.00 C ATOM 994 OE1 GLU C 15 -11.504 -1.090 10.674 1.00 0.00 O ATOM 995 OE2 GLU C 15 -12.644 -2.938 10.952 1.00 0.00 O ATOM 0 H GLU C 15 -10.383 -0.742 11.771 1.00 0.00 H new ATOM 0 HA GLU C 15 -8.372 -1.872 13.516 1.00 0.00 H new ATOM 0 HB2 GLU C 15 -8.920 -3.958 12.308 1.00 0.00 H new ATOM 0 HB3 GLU C 15 -10.331 -3.192 13.012 1.00 0.00 H new ATOM 0 HG2 GLU C 15 -9.589 -2.745 10.121 1.00 0.00 H new ATOM 0 HG3 GLU C 15 -10.487 -4.164 10.620 1.00 0.00 H new ATOM 1002 N ILE C 16 -6.640 -2.629 11.701 1.00 0.00 N ATOM 1003 CA ILE C 16 -5.496 -2.693 10.813 1.00 0.00 C ATOM 1004 C ILE C 16 -5.704 -3.810 9.802 1.00 0.00 C ATOM 1005 O ILE C 16 -5.994 -4.945 10.173 1.00 0.00 O ATOM 1006 CB ILE C 16 -4.180 -2.918 11.586 1.00 0.00 C ATOM 1007 CG1 ILE C 16 -4.068 -1.909 12.732 1.00 0.00 C ATOM 1008 CG2 ILE C 16 -2.991 -2.801 10.642 1.00 0.00 C ATOM 1009 CD1 ILE C 16 -2.686 -1.813 13.341 1.00 0.00 C ATOM 0 H ILE C 16 -6.624 -3.309 12.461 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.413 -1.735 10.299 1.00 0.00 H new ATOM 0 HB ILE C 16 -4.181 -3.922 12.010 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -4.360 -0.925 12.365 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -4.779 -2.182 13.512 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -2.068 -2.962 11.198 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -3.076 -3.551 9.855 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -2.977 -1.807 10.196 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -2.693 -1.077 14.145 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -2.397 -2.785 13.741 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -1.972 -1.508 12.576 1.00 0.00 H new ATOM 1021 N VAL C 17 -5.566 -3.484 8.528 1.00 0.00 N ATOM 1022 CA VAL C 17 -5.896 -4.411 7.467 1.00 0.00 C ATOM 1023 C VAL C 17 -4.619 -4.793 6.709 1.00 0.00 C ATOM 1024 O VAL C 17 -4.247 -4.145 5.735 1.00 0.00 O ATOM 1025 CB VAL C 17 -6.940 -3.768 6.511 1.00 0.00 C ATOM 1026 CG1 VAL C 17 -7.627 -4.797 5.635 1.00 0.00 C ATOM 1027 CG2 VAL C 17 -7.974 -2.980 7.288 1.00 0.00 C ATOM 0 H VAL C 17 -5.225 -2.578 8.206 1.00 0.00 H new ATOM 0 HA VAL C 17 -6.334 -5.316 7.889 1.00 0.00 H new ATOM 0 HB VAL C 17 -6.389 -3.090 5.859 1.00 0.00 H new ATOM 0 HG11 VAL C 17 -8.347 -4.299 4.985 1.00 0.00 H new ATOM 0 HG12 VAL C 17 -6.883 -5.311 5.026 1.00 0.00 H new ATOM 0 HG13 VAL C 17 -8.146 -5.521 6.263 1.00 0.00 H new ATOM 0 HG21 VAL C 17 -8.692 -2.541 6.596 1.00 0.00 H new ATOM 0 HG22 VAL C 17 -8.495 -3.644 7.978 1.00 0.00 H new ATOM 0 HG23 VAL C 17 -7.480 -2.187 7.850 1.00 0.00 H new ATOM 1037 N TYR C 18 -3.942 -5.838 7.174 1.00 0.00 N ATOM 1038 CA TYR C 18 -2.663 -6.256 6.593 1.00 0.00 C ATOM 1039 C TYR C 18 -2.866 -7.274 5.478 1.00 0.00 C ATOM 1040 O TYR C 18 -3.340 -8.385 5.717 1.00 0.00 O ATOM 1041 CB TYR C 18 -1.753 -6.841 7.675 1.00 0.00 C ATOM 1042 CG TYR C 18 -0.675 -5.892 8.151 1.00 0.00 C ATOM 1043 CD1 TYR C 18 -0.954 -4.557 8.415 1.00 0.00 C ATOM 1044 CD2 TYR C 18 0.624 -6.338 8.338 1.00 0.00 C ATOM 1045 CE1 TYR C 18 0.035 -3.697 8.851 1.00 0.00 C ATOM 1046 CE2 TYR C 18 1.619 -5.485 8.774 1.00 0.00 C ATOM 1047 CZ TYR C 18 1.319 -4.168 9.029 1.00 0.00 C ATOM 1048 OH TYR C 18 2.306 -3.315 9.462 1.00 0.00 O ATOM 0 H TYR C 18 -4.256 -6.415 7.954 1.00 0.00 H new ATOM 0 HA TYR C 18 -2.189 -5.373 6.164 1.00 0.00 H new ATOM 0 HB2 TYR C 18 -2.364 -7.138 8.528 1.00 0.00 H new ATOM 0 HB3 TYR C 18 -1.282 -7.745 7.290 1.00 0.00 H new ATOM 0 HD1 TYR C 18 -1.959 -4.186 8.277 1.00 0.00 H new ATOM 0 HD2 TYR C 18 0.863 -7.372 8.139 1.00 0.00 H new ATOM 0 HE1 TYR C 18 -0.196 -2.661 9.051 1.00 0.00 H new ATOM 0 HE2 TYR C 18 2.626 -5.850 8.914 1.00 0.00 H new ATOM 0 HH TYR C 18 2.520 -2.675 8.751 1.00 0.00 H new ATOM 1058 N LEU C 19 -2.504 -6.888 4.256 1.00 0.00 N ATOM 1059 CA LEU C 19 -2.711 -7.736 3.086 1.00 0.00 C ATOM 1060 C LEU C 19 -1.402 -7.961 2.332 1.00 0.00 C ATOM 1061 O LEU C 19 -1.126 -7.294 1.337 1.00 0.00 O ATOM 1062 CB LEU C 19 -3.762 -7.117 2.148 1.00 0.00 C ATOM 1063 CG LEU C 19 -5.214 -7.258 2.597 1.00 0.00 C ATOM 1064 CD1 LEU C 19 -5.484 -6.481 3.861 1.00 0.00 C ATOM 1065 CD2 LEU C 19 -6.137 -6.784 1.507 1.00 0.00 C ATOM 0 H LEU C 19 -2.065 -5.991 4.051 1.00 0.00 H new ATOM 0 HA LEU C 19 -3.076 -8.702 3.435 1.00 0.00 H new ATOM 0 HB2 LEU C 19 -3.538 -6.057 2.031 1.00 0.00 H new ATOM 0 HB3 LEU C 19 -3.659 -7.575 1.164 1.00 0.00 H new ATOM 0 HG LEU C 19 -5.396 -8.313 2.803 1.00 0.00 H new ATOM 0 HD11 LEU C 19 -6.528 -6.606 4.149 1.00 0.00 H new ATOM 0 HD12 LEU C 19 -4.841 -6.850 4.660 1.00 0.00 H new ATOM 0 HD13 LEU C 19 -5.279 -5.424 3.689 1.00 0.00 H new ATOM 0 HD21 LEU C 19 -7.171 -6.888 1.835 1.00 0.00 H new ATOM 0 HD22 LEU C 19 -5.930 -5.737 1.285 1.00 0.00 H new ATOM 0 HD23 LEU C 19 -5.979 -7.383 0.610 1.00 0.00 H new ATOM 1077 N PRO C 20 -0.584 -8.923 2.790 1.00 0.00 N ATOM 1078 CA PRO C 20 0.731 -9.197 2.198 1.00 0.00 C ATOM 1079 C PRO C 20 0.652 -9.996 0.898 1.00 0.00 C ATOM 1080 O PRO C 20 1.624 -10.073 0.146 1.00 0.00 O ATOM 1081 CB PRO C 20 1.426 -10.023 3.279 1.00 0.00 C ATOM 1082 CG PRO C 20 0.323 -10.732 3.986 1.00 0.00 C ATOM 1083 CD PRO C 20 -0.873 -9.817 3.930 1.00 0.00 C ATOM 0 HA PRO C 20 1.248 -8.277 1.925 1.00 0.00 H new ATOM 0 HB2 PRO C 20 2.134 -10.728 2.844 1.00 0.00 H new ATOM 0 HB3 PRO C 20 1.989 -9.387 3.962 1.00 0.00 H new ATOM 0 HG2 PRO C 20 0.105 -11.687 3.507 1.00 0.00 H new ATOM 0 HG3 PRO C 20 0.599 -10.949 5.018 1.00 0.00 H new ATOM 0 HD2 PRO C 20 -1.796 -10.375 3.776 1.00 0.00 H new ATOM 0 HD3 PRO C 20 -0.991 -9.256 4.857 1.00 0.00 H new ATOM 1091 N ASN C 21 -0.508 -10.581 0.632 1.00 0.00 N ATOM 1092 CA ASN C 21 -0.660 -11.477 -0.510 1.00 0.00 C ATOM 1093 C ASN C 21 -1.155 -10.730 -1.742 1.00 0.00 C ATOM 1094 O ASN C 21 -1.303 -11.316 -2.812 1.00 0.00 O ATOM 1095 CB ASN C 21 -1.614 -12.627 -0.175 1.00 0.00 C ATOM 1096 CG ASN C 21 -1.154 -13.439 1.023 1.00 0.00 C ATOM 1097 OD1 ASN C 21 -0.325 -14.440 0.784 1.00 0.00 O flip ATOM 1098 ND2 ASN C 21 -1.533 -13.158 2.157 1.00 0.00 N flip ATOM 0 H ASN C 21 -1.354 -10.453 1.187 1.00 0.00 H new ATOM 0 HA ASN C 21 0.324 -11.889 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN C 21 -2.607 -12.224 0.024 1.00 0.00 H new ATOM 0 HB3 ASN C 21 -1.704 -13.283 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN C 21 -2.174 -12.378 2.302 1.00 0.00 H new ATOM 0 HD22 ASN C 21 -1.207 -13.705 2.954 1.00 0.00 H new ATOM 1105 N LEU C 22 -1.424 -9.440 -1.585 1.00 0.00 N ATOM 1106 CA LEU C 22 -1.800 -8.598 -2.712 1.00 0.00 C ATOM 1107 C LEU C 22 -0.590 -8.281 -3.575 1.00 0.00 C ATOM 1108 O LEU C 22 0.521 -8.112 -3.069 1.00 0.00 O ATOM 1109 CB LEU C 22 -2.421 -7.293 -2.228 1.00 0.00 C ATOM 1110 CG LEU C 22 -3.821 -7.394 -1.629 1.00 0.00 C ATOM 1111 CD1 LEU C 22 -4.302 -6.013 -1.228 1.00 0.00 C ATOM 1112 CD2 LEU C 22 -4.782 -8.023 -2.620 1.00 0.00 C ATOM 0 H LEU C 22 -1.389 -8.955 -0.688 1.00 0.00 H new ATOM 0 HA LEU C 22 -2.531 -9.148 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU C 22 -1.759 -6.855 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU C 22 -2.457 -6.599 -3.067 1.00 0.00 H new ATOM 0 HG LEU C 22 -3.783 -8.030 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU C 22 -5.302 -6.086 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU C 22 -3.621 -5.591 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU C 22 -4.329 -5.368 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU C 22 -5.775 -8.086 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU C 22 -4.827 -7.412 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU C 22 -4.436 -9.024 -2.878 1.00 0.00 H new ATOM 1124 N ASN C 23 -0.804 -8.203 -4.877 1.00 0.00 N ATOM 1125 CA ASN C 23 0.261 -7.822 -5.789 1.00 0.00 C ATOM 1126 C ASN C 23 0.115 -6.357 -6.179 1.00 0.00 C ATOM 1127 O ASN C 23 -1.007 -5.882 -6.377 1.00 0.00 O ATOM 1128 CB ASN C 23 0.278 -8.709 -7.040 1.00 0.00 C ATOM 1129 CG ASN C 23 -0.906 -8.478 -7.958 1.00 0.00 C ATOM 1130 OD1 ASN C 23 -0.867 -7.618 -8.841 1.00 0.00 O ATOM 1131 ND2 ASN C 23 -1.960 -9.254 -7.773 1.00 0.00 N ATOM 0 H ASN C 23 -1.700 -8.397 -5.325 1.00 0.00 H new ATOM 0 HA ASN C 23 1.211 -7.963 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN C 23 1.199 -8.526 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN C 23 0.293 -9.755 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN C 23 -2.779 -9.153 -8.372 1.00 0.00 H new ATOM 0 HD22 ASN C 23 -1.954 -9.954 -7.031 1.00 0.00 H new ATOM 1138 N PRO C 24 1.238 -5.623 -6.257 1.00 0.00 N ATOM 1139 CA PRO C 24 1.251 -4.181 -6.546 1.00 0.00 C ATOM 1140 C PRO C 24 0.276 -3.767 -7.649 1.00 0.00 C ATOM 1141 O PRO C 24 -0.568 -2.885 -7.448 1.00 0.00 O ATOM 1142 CB PRO C 24 2.689 -3.944 -6.994 1.00 0.00 C ATOM 1143 CG PRO C 24 3.488 -4.941 -6.231 1.00 0.00 C ATOM 1144 CD PRO C 24 2.604 -6.148 -6.055 1.00 0.00 C ATOM 0 HA PRO C 24 0.938 -3.596 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO C 24 2.798 -4.087 -8.069 1.00 0.00 H new ATOM 0 HB3 PRO C 24 3.010 -2.926 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO C 24 4.399 -5.202 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO C 24 3.792 -4.538 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO C 24 2.843 -6.927 -6.779 1.00 0.00 H new ATOM 0 HD3 PRO C 24 2.720 -6.587 -5.064 1.00 0.00 H new ATOM 1152 N ASP C 25 0.373 -4.439 -8.792 1.00 0.00 N ATOM 1153 CA ASP C 25 -0.421 -4.092 -9.969 1.00 0.00 C ATOM 1154 C ASP C 25 -1.918 -4.113 -9.679 1.00 0.00 C ATOM 1155 O ASP C 25 -2.661 -3.265 -10.172 1.00 0.00 O ATOM 1156 CB ASP C 25 -0.118 -5.049 -11.127 1.00 0.00 C ATOM 1157 CG ASP C 25 1.267 -4.858 -11.709 1.00 0.00 C ATOM 1158 OD1 ASP C 25 2.187 -5.611 -11.326 1.00 0.00 O ATOM 1159 OD2 ASP C 25 1.439 -3.968 -12.570 1.00 0.00 O ATOM 0 H ASP C 25 0.998 -5.233 -8.930 1.00 0.00 H new ATOM 0 HA ASP C 25 -0.142 -3.076 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -0.220 -6.076 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -0.859 -4.905 -11.913 1.00 0.00 H new ATOM 1164 N GLN C 26 -2.359 -5.065 -8.866 1.00 0.00 N ATOM 1165 CA GLN C 26 -3.764 -5.243 -8.611 1.00 0.00 C ATOM 1166 C GLN C 26 -4.219 -4.415 -7.410 1.00 0.00 C ATOM 1167 O GLN C 26 -5.292 -3.816 -7.442 1.00 0.00 O ATOM 1168 CB GLN C 26 -4.048 -6.731 -8.410 1.00 0.00 C ATOM 1169 CG GLN C 26 -5.244 -7.008 -7.535 1.00 0.00 C ATOM 1170 CD GLN C 26 -6.555 -6.521 -8.133 1.00 0.00 C ATOM 1171 OE1 GLN C 26 -6.714 -6.464 -9.353 1.00 0.00 O ATOM 1172 NE2 GLN C 26 -7.501 -6.170 -7.277 1.00 0.00 N ATOM 0 H GLN C 26 -1.753 -5.723 -8.375 1.00 0.00 H new ATOM 0 HA GLN C 26 -4.335 -4.886 -9.468 1.00 0.00 H new ATOM 0 HB2 GLN C 26 -4.206 -7.196 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN C 26 -3.170 -7.203 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN C 26 -5.312 -8.081 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN C 26 -5.095 -6.530 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN C 26 -7.329 -6.232 -6.273 1.00 0.00 H new ATOM 0 HE22 GLN C 26 -8.402 -5.837 -7.621 1.00 0.00 H new ATOM 1181 N LEU C 27 -3.407 -4.353 -6.357 1.00 0.00 N ATOM 1182 CA LEU C 27 -3.797 -3.603 -5.167 1.00 0.00 C ATOM 1183 C LEU C 27 -3.898 -2.111 -5.477 1.00 0.00 C ATOM 1184 O LEU C 27 -4.550 -1.356 -4.758 1.00 0.00 O ATOM 1185 CB LEU C 27 -2.854 -3.876 -3.978 1.00 0.00 C ATOM 1186 CG LEU C 27 -1.352 -3.663 -4.204 1.00 0.00 C ATOM 1187 CD1 LEU C 27 -1.009 -2.184 -4.245 1.00 0.00 C ATOM 1188 CD2 LEU C 27 -0.552 -4.370 -3.115 1.00 0.00 C ATOM 0 H LEU C 27 -2.493 -4.803 -6.303 1.00 0.00 H new ATOM 0 HA LEU C 27 -4.785 -3.951 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU C 27 -3.164 -3.239 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU C 27 -3.004 -4.908 -3.660 1.00 0.00 H new ATOM 0 HG LEU C 27 -1.087 -4.093 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU C 27 0.062 -2.063 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU C 27 -1.555 -1.706 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU C 27 -1.288 -1.719 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.513 -4.212 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU C 27 -0.827 -3.966 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU C 27 -0.769 -5.438 -3.139 1.00 0.00 H new ATOM 1200 N CYS C 28 -3.266 -1.701 -6.568 1.00 0.00 N ATOM 1201 CA CYS C 28 -3.368 -0.331 -7.048 1.00 0.00 C ATOM 1202 C CYS C 28 -4.827 0.029 -7.345 1.00 0.00 C ATOM 1203 O CYS C 28 -5.229 1.190 -7.231 1.00 0.00 O ATOM 1204 CB CYS C 28 -2.512 -0.162 -8.305 1.00 0.00 C ATOM 1205 SG CYS C 28 -2.543 1.516 -9.014 1.00 0.00 S ATOM 0 H CYS C 28 -2.674 -2.303 -7.140 1.00 0.00 H new ATOM 0 HA CYS C 28 -3.003 0.343 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS C 28 -1.481 -0.424 -8.066 1.00 0.00 H new ATOM 0 HB3 CYS C 28 -2.854 -0.869 -9.061 1.00 0.00 H new ATOM 1210 N ALA C 29 -5.620 -0.983 -7.690 1.00 0.00 N ATOM 1211 CA ALA C 29 -7.014 -0.783 -8.055 1.00 0.00 C ATOM 1212 C ALA C 29 -7.856 -0.364 -6.853 1.00 0.00 C ATOM 1213 O ALA C 29 -8.646 0.573 -6.948 1.00 0.00 O ATOM 1214 CB ALA C 29 -7.584 -2.042 -8.691 1.00 0.00 C ATOM 0 H ALA C 29 -5.315 -1.956 -7.723 1.00 0.00 H new ATOM 0 HA ALA C 29 -7.051 0.027 -8.783 1.00 0.00 H new ATOM 0 HB1 ALA C 29 -8.627 -1.874 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA C 29 -7.015 -2.286 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA C 29 -7.519 -2.869 -7.984 1.00 0.00 H new ATOM 1220 N PHE C 30 -7.686 -1.041 -5.717 1.00 0.00 N ATOM 1221 CA PHE C 30 -8.482 -0.711 -4.538 1.00 0.00 C ATOM 1222 C PHE C 30 -8.002 0.610 -3.945 1.00 0.00 C ATOM 1223 O PHE C 30 -8.779 1.348 -3.342 1.00 0.00 O ATOM 1224 CB PHE C 30 -8.469 -1.847 -3.493 1.00 0.00 C ATOM 1225 CG PHE C 30 -7.414 -1.741 -2.419 1.00 0.00 C ATOM 1226 CD1 PHE C 30 -6.214 -2.420 -2.535 1.00 0.00 C ATOM 1227 CD2 PHE C 30 -7.636 -0.975 -1.283 1.00 0.00 C ATOM 1228 CE1 PHE C 30 -5.254 -2.335 -1.542 1.00 0.00 C ATOM 1229 CE2 PHE C 30 -6.681 -0.884 -0.292 1.00 0.00 C ATOM 1230 CZ PHE C 30 -5.488 -1.565 -0.422 1.00 0.00 C ATOM 0 H PHE C 30 -7.020 -1.803 -5.590 1.00 0.00 H new ATOM 0 HA PHE C 30 -9.521 -0.596 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE C 30 -9.447 -1.884 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE C 30 -8.334 -2.794 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE C 30 -6.024 -3.023 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE C 30 -8.569 -0.443 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE C 30 -4.322 -2.871 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE C 30 -6.867 -0.281 0.584 1.00 0.00 H new ATOM 0 HZ PHE C 30 -4.738 -1.495 0.352 1.00 0.00 H new ATOM 1240 N ILE C 31 -6.721 0.911 -4.139 1.00 0.00 N ATOM 1241 CA ILE C 31 -6.179 2.210 -3.761 1.00 0.00 C ATOM 1242 C ILE C 31 -6.871 3.307 -4.564 1.00 0.00 C ATOM 1243 O ILE C 31 -7.319 4.316 -4.013 1.00 0.00 O ATOM 1244 CB ILE C 31 -4.654 2.282 -3.996 1.00 0.00 C ATOM 1245 CG1 ILE C 31 -3.925 1.329 -3.044 1.00 0.00 C ATOM 1246 CG2 ILE C 31 -4.148 3.708 -3.821 1.00 0.00 C ATOM 1247 CD1 ILE C 31 -2.419 1.348 -3.199 1.00 0.00 C ATOM 0 H ILE C 31 -6.041 0.274 -4.555 1.00 0.00 H new ATOM 0 HA ILE C 31 -6.363 2.353 -2.696 1.00 0.00 H new ATOM 0 HB ILE C 31 -4.447 1.974 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE C 31 -4.179 1.591 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE C 31 -4.286 0.314 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE C 31 -3.072 3.736 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE C 31 -4.645 4.361 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE C 31 -4.364 4.049 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE C 31 -1.972 0.649 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE C 31 -2.154 1.056 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE C 31 -2.045 2.353 -3.001 1.00 0.00 H new ATOM 1259 N HIS C 32 -6.974 3.077 -5.870 1.00 0.00 N ATOM 1260 CA HIS C 32 -7.704 3.966 -6.764 1.00 0.00 C ATOM 1261 C HIS C 32 -9.140 4.128 -6.267 1.00 0.00 C ATOM 1262 O HIS C 32 -9.718 5.208 -6.340 1.00 0.00 O ATOM 1263 CB HIS C 32 -7.699 3.387 -8.189 1.00 0.00 C ATOM 1264 CG HIS C 32 -8.302 4.277 -9.237 1.00 0.00 C ATOM 1265 ND1 HIS C 32 -7.553 4.892 -10.214 1.00 0.00 N ATOM 1266 CD2 HIS C 32 -9.587 4.633 -9.478 1.00 0.00 C ATOM 1267 CE1 HIS C 32 -8.344 5.586 -11.005 1.00 0.00 C ATOM 1268 NE2 HIS C 32 -9.585 5.447 -10.584 1.00 0.00 N ATOM 0 H HIS C 32 -6.555 2.272 -6.335 1.00 0.00 H new ATOM 0 HA HIS C 32 -7.221 4.943 -6.778 1.00 0.00 H new ATOM 0 HB2 HIS C 32 -6.670 3.164 -8.471 1.00 0.00 H new ATOM 0 HB3 HIS C 32 -8.240 2.441 -8.182 1.00 0.00 H new ATOM 0 HD2 HIS C 32 -10.452 4.332 -8.906 1.00 0.00 H new ATOM 0 HE1 HIS C 32 -8.029 6.171 -11.856 1.00 0.00 H new ATOM 0 HE2 HIS C 32 -10.408 5.874 -11.009 1.00 0.00 H new ATOM 1277 N SER C 33 -9.689 3.043 -5.740 1.00 0.00 N ATOM 1278 CA SER C 33 -11.066 3.019 -5.274 1.00 0.00 C ATOM 1279 C SER C 33 -11.263 3.856 -4.004 1.00 0.00 C ATOM 1280 O SER C 33 -12.328 4.432 -3.801 1.00 0.00 O ATOM 1281 CB SER C 33 -11.498 1.576 -5.031 1.00 0.00 C ATOM 1282 OG SER C 33 -11.377 0.803 -6.216 1.00 0.00 O ATOM 0 H SER C 33 -9.194 2.159 -5.624 1.00 0.00 H new ATOM 0 HA SER C 33 -11.689 3.465 -6.049 1.00 0.00 H new ATOM 0 HB2 SER C 33 -10.887 1.137 -4.242 1.00 0.00 H new ATOM 0 HB3 SER C 33 -12.531 1.555 -4.683 1.00 0.00 H new ATOM 0 HG SER C 33 -10.430 0.716 -6.455 1.00 0.00 H new ATOM 1288 N ILE C 34 -10.240 3.930 -3.155 1.00 0.00 N ATOM 1289 CA ILE C 34 -10.317 4.743 -1.937 1.00 0.00 C ATOM 1290 C ILE C 34 -10.363 6.223 -2.297 1.00 0.00 C ATOM 1291 O ILE C 34 -11.039 7.020 -1.652 1.00 0.00 O ATOM 1292 CB ILE C 34 -9.119 4.488 -0.992 1.00 0.00 C ATOM 1293 CG1 ILE C 34 -9.047 3.007 -0.606 1.00 0.00 C ATOM 1294 CG2 ILE C 34 -9.225 5.362 0.256 1.00 0.00 C ATOM 1295 CD1 ILE C 34 -10.239 2.529 0.189 1.00 0.00 C ATOM 0 H ILE C 34 -9.354 3.442 -3.284 1.00 0.00 H new ATOM 0 HA ILE C 34 -11.229 4.454 -1.415 1.00 0.00 H new ATOM 0 HB ILE C 34 -8.202 4.752 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -8.962 2.408 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -8.141 2.836 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -8.374 5.169 0.909 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -9.228 6.413 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -10.149 5.129 0.786 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -10.118 1.472 0.426 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -10.313 3.102 1.113 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -11.147 2.668 -0.398 1.00 0.00 H new ATOM 1307 N HIS C 35 -9.635 6.577 -3.338 1.00 0.00 N ATOM 1308 CA HIS C 35 -9.618 7.947 -3.836 1.00 0.00 C ATOM 1309 C HIS C 35 -10.900 8.228 -4.618 1.00 0.00 C ATOM 1310 O HIS C 35 -11.391 9.356 -4.653 1.00 0.00 O ATOM 1311 CB HIS C 35 -8.385 8.162 -4.723 1.00 0.00 C ATOM 1312 CG HIS C 35 -8.166 9.583 -5.168 1.00 0.00 C ATOM 1313 ND1 HIS C 35 -7.217 10.414 -4.606 1.00 0.00 N ATOM 1314 CD2 HIS C 35 -8.758 10.307 -6.148 1.00 0.00 C ATOM 1315 CE1 HIS C 35 -7.236 11.582 -5.222 1.00 0.00 C ATOM 1316 NE2 HIS C 35 -8.162 11.541 -6.159 1.00 0.00 N ATOM 0 H HIS C 35 -9.042 5.933 -3.861 1.00 0.00 H new ATOM 0 HA HIS C 35 -9.565 8.639 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS C 35 -7.502 7.826 -4.180 1.00 0.00 H new ATOM 0 HB3 HIS C 35 -8.476 7.530 -5.606 1.00 0.00 H new ATOM 0 HD2 HIS C 35 -9.552 9.974 -6.800 1.00 0.00 H new ATOM 0 HE1 HIS C 35 -6.601 12.426 -4.997 1.00 0.00 H new ATOM 0 HE2 HIS C 35 -8.397 12.306 -6.791 1.00 0.00 H new ATOM 1325 N ASP C 36 -11.432 7.183 -5.234 1.00 0.00 N ATOM 1326 CA ASP C 36 -12.649 7.279 -6.036 1.00 0.00 C ATOM 1327 C ASP C 36 -13.892 7.351 -5.156 1.00 0.00 C ATOM 1328 O ASP C 36 -14.886 7.985 -5.513 1.00 0.00 O ATOM 1329 CB ASP C 36 -12.742 6.079 -6.984 1.00 0.00 C ATOM 1330 CG ASP C 36 -14.031 6.041 -7.777 1.00 0.00 C ATOM 1331 OD1 ASP C 36 -14.122 6.729 -8.817 1.00 0.00 O ATOM 1332 OD2 ASP C 36 -14.957 5.304 -7.378 1.00 0.00 O ATOM 0 H ASP C 36 -11.035 6.244 -5.194 1.00 0.00 H new ATOM 0 HA ASP C 36 -12.600 8.199 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP C 36 -11.899 6.104 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP C 36 -12.652 5.160 -6.405 1.00 0.00 H new ATOM 1337 N ASP C 37 -13.823 6.710 -4.005 1.00 0.00 N ATOM 1338 CA ASP C 37 -14.937 6.681 -3.069 1.00 0.00 C ATOM 1339 C ASP C 37 -14.450 6.314 -1.669 1.00 0.00 C ATOM 1340 O ASP C 37 -14.485 5.148 -1.273 1.00 0.00 O ATOM 1341 CB ASP C 37 -16.001 5.678 -3.517 1.00 0.00 C ATOM 1342 CG ASP C 37 -17.332 5.934 -2.836 1.00 0.00 C ATOM 1343 OD1 ASP C 37 -18.339 6.149 -3.546 1.00 0.00 O ATOM 1344 OD2 ASP C 37 -17.377 5.948 -1.590 1.00 0.00 O ATOM 0 H ASP C 37 -12.999 6.197 -3.691 1.00 0.00 H new ATOM 0 HA ASP C 37 -15.379 7.677 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP C 37 -16.127 5.739 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP C 37 -15.665 4.666 -3.292 1.00 0.00 H new ATOM 1349 N PRO C 38 -13.971 7.305 -0.909 1.00 0.00 N ATOM 1350 CA PRO C 38 -13.510 7.102 0.471 1.00 0.00 C ATOM 1351 C PRO C 38 -14.630 6.671 1.420 1.00 0.00 C ATOM 1352 O PRO C 38 -14.367 6.143 2.496 1.00 0.00 O ATOM 1353 CB PRO C 38 -12.974 8.477 0.875 1.00 0.00 C ATOM 1354 CG PRO C 38 -13.660 9.434 -0.040 1.00 0.00 C ATOM 1355 CD PRO C 38 -13.803 8.702 -1.340 1.00 0.00 C ATOM 0 HA PRO C 38 -12.773 6.301 0.529 1.00 0.00 H new ATOM 0 HB2 PRO C 38 -13.197 8.698 1.919 1.00 0.00 H new ATOM 0 HB3 PRO C 38 -11.891 8.529 0.763 1.00 0.00 H new ATOM 0 HG2 PRO C 38 -14.632 9.728 0.355 1.00 0.00 H new ATOM 0 HG3 PRO C 38 -13.077 10.347 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO C 38 -14.661 9.055 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO C 38 -12.925 8.827 -1.974 1.00 0.00 H new ATOM 1363 N SER C 39 -15.874 6.885 1.018 1.00 0.00 N ATOM 1364 CA SER C 39 -17.013 6.501 1.840 1.00 0.00 C ATOM 1365 C SER C 39 -17.101 4.980 1.958 1.00 0.00 C ATOM 1366 O SER C 39 -17.376 4.435 3.028 1.00 0.00 O ATOM 1367 CB SER C 39 -18.298 7.063 1.234 1.00 0.00 C ATOM 1368 OG SER C 39 -18.018 7.795 0.050 1.00 0.00 O ATOM 0 H SER C 39 -16.121 7.321 0.130 1.00 0.00 H new ATOM 0 HA SER C 39 -16.881 6.913 2.841 1.00 0.00 H new ATOM 0 HB2 SER C 39 -18.986 6.248 1.009 1.00 0.00 H new ATOM 0 HB3 SER C 39 -18.795 7.709 1.958 1.00 0.00 H new ATOM 0 HG SER C 39 -18.131 7.212 -0.729 1.00 0.00 H new ATOM 1374 N GLN C 40 -16.845 4.304 0.848 1.00 0.00 N ATOM 1375 CA GLN C 40 -16.870 2.853 0.796 1.00 0.00 C ATOM 1376 C GLN C 40 -15.548 2.261 1.263 1.00 0.00 C ATOM 1377 O GLN C 40 -15.366 1.055 1.185 1.00 0.00 O ATOM 1378 CB GLN C 40 -17.151 2.402 -0.631 1.00 0.00 C ATOM 1379 CG GLN C 40 -18.300 3.149 -1.272 1.00 0.00 C ATOM 1380 CD GLN C 40 -19.640 2.838 -0.640 1.00 0.00 C ATOM 1381 OE1 GLN C 40 -19.868 1.735 -0.143 1.00 0.00 O ATOM 1382 NE2 GLN C 40 -20.531 3.815 -0.642 1.00 0.00 N ATOM 0 H GLN C 40 -16.614 4.747 -0.041 1.00 0.00 H new ATOM 0 HA GLN C 40 -17.657 2.501 1.463 1.00 0.00 H new ATOM 0 HB2 GLN C 40 -16.253 2.541 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN C 40 -17.373 1.335 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN C 40 -18.112 4.220 -1.202 1.00 0.00 H new ATOM 0 HG3 GLN C 40 -18.339 2.901 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN C 40 -20.301 4.714 -1.065 1.00 0.00 H new ATOM 0 HE22 GLN C 40 -21.448 3.669 -0.221 1.00 0.00 H new ATOM 1391 N SER C 41 -14.631 3.125 1.709 1.00 0.00 N ATOM 1392 CA SER C 41 -13.266 2.733 2.107 1.00 0.00 C ATOM 1393 C SER C 41 -13.202 1.334 2.738 1.00 0.00 C ATOM 1394 O SER C 41 -12.552 0.441 2.198 1.00 0.00 O ATOM 1395 CB SER C 41 -12.692 3.768 3.081 1.00 0.00 C ATOM 1396 OG SER C 41 -11.332 3.504 3.376 1.00 0.00 O ATOM 0 H SER C 41 -14.812 4.124 1.806 1.00 0.00 H new ATOM 0 HA SER C 41 -12.668 2.698 1.196 1.00 0.00 H new ATOM 0 HB2 SER C 41 -12.785 4.765 2.651 1.00 0.00 H new ATOM 0 HB3 SER C 41 -13.273 3.763 4.003 1.00 0.00 H new ATOM 0 HG SER C 41 -10.995 4.182 3.998 1.00 0.00 H new ATOM 1402 N ALA C 42 -13.889 1.146 3.863 1.00 0.00 N ATOM 1403 CA ALA C 42 -13.919 -0.143 4.564 1.00 0.00 C ATOM 1404 C ALA C 42 -14.239 -1.306 3.634 1.00 0.00 C ATOM 1405 O ALA C 42 -13.686 -2.396 3.764 1.00 0.00 O ATOM 1406 CB ALA C 42 -14.955 -0.092 5.662 1.00 0.00 C ATOM 0 H ALA C 42 -14.439 1.876 4.315 1.00 0.00 H new ATOM 0 HA ALA C 42 -12.924 -0.312 4.975 1.00 0.00 H new ATOM 0 HB1 ALA C 42 -14.979 -1.048 6.184 1.00 0.00 H new ATOM 0 HB2 ALA C 42 -14.700 0.700 6.366 1.00 0.00 H new ATOM 0 HB3 ALA C 42 -15.935 0.110 5.229 1.00 0.00 H new ATOM 1412 N ASN C 43 -15.139 -1.062 2.706 1.00 0.00 N ATOM 1413 CA ASN C 43 -15.568 -2.078 1.759 1.00 0.00 C ATOM 1414 C ASN C 43 -14.494 -2.335 0.709 1.00 0.00 C ATOM 1415 O ASN C 43 -14.341 -3.462 0.248 1.00 0.00 O ATOM 1416 CB ASN C 43 -16.883 -1.667 1.093 1.00 0.00 C ATOM 1417 CG ASN C 43 -17.351 -2.663 0.047 1.00 0.00 C ATOM 1418 OD1 ASN C 43 -17.000 -2.563 -1.126 1.00 0.00 O ATOM 1419 ND2 ASN C 43 -18.152 -3.629 0.466 1.00 0.00 N ATOM 0 H ASN C 43 -15.595 -0.158 2.584 1.00 0.00 H new ATOM 0 HA ASN C 43 -15.731 -3.005 2.308 1.00 0.00 H new ATOM 0 HB2 ASN C 43 -17.654 -1.560 1.857 1.00 0.00 H new ATOM 0 HB3 ASN C 43 -16.759 -0.690 0.627 1.00 0.00 H new ATOM 0 HD21 ASN C 43 -18.501 -4.325 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN C 43 -18.421 -3.678 1.449 1.00 0.00 H new ATOM 1426 N LEU C 44 -13.733 -1.305 0.340 1.00 0.00 N ATOM 1427 CA LEU C 44 -12.620 -1.505 -0.578 1.00 0.00 C ATOM 1428 C LEU C 44 -11.536 -2.326 0.112 1.00 0.00 C ATOM 1429 O LEU C 44 -10.815 -3.089 -0.532 1.00 0.00 O ATOM 1430 CB LEU C 44 -12.030 -0.181 -1.087 1.00 0.00 C ATOM 1431 CG LEU C 44 -12.895 0.644 -2.058 1.00 0.00 C ATOM 1432 CD1 LEU C 44 -13.890 -0.220 -2.819 1.00 0.00 C ATOM 1433 CD2 LEU C 44 -13.610 1.769 -1.341 1.00 0.00 C ATOM 0 H LEU C 44 -13.865 -0.344 0.656 1.00 0.00 H new ATOM 0 HA LEU C 44 -13.003 -2.038 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU C 44 -11.803 0.443 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU C 44 -11.083 -0.400 -1.580 1.00 0.00 H new ATOM 0 HG LEU C 44 -12.213 1.079 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU C 44 -14.477 0.407 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU C 44 -13.352 -0.969 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU C 44 -14.555 -0.717 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU C 44 -14.212 2.331 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU C 44 -14.257 1.355 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU C 44 -12.877 2.432 -0.883 1.00 0.00 H new ATOM 1445 N LEU C 45 -11.436 -2.176 1.434 1.00 0.00 N ATOM 1446 CA LEU C 45 -10.536 -2.985 2.223 1.00 0.00 C ATOM 1447 C LEU C 45 -11.037 -4.421 2.290 1.00 0.00 C ATOM 1448 O LEU C 45 -10.256 -5.365 2.179 1.00 0.00 O ATOM 1449 CB LEU C 45 -10.386 -2.399 3.630 1.00 0.00 C ATOM 1450 CG LEU C 45 -9.308 -1.336 3.791 1.00 0.00 C ATOM 1451 CD1 LEU C 45 -8.122 -1.655 2.912 1.00 0.00 C ATOM 1452 CD2 LEU C 45 -9.864 0.027 3.476 1.00 0.00 C ATOM 0 H LEU C 45 -11.974 -1.497 1.972 1.00 0.00 H new ATOM 0 HA LEU C 45 -9.556 -2.984 1.745 1.00 0.00 H new ATOM 0 HB2 LEU C 45 -11.342 -1.969 3.928 1.00 0.00 H new ATOM 0 HB3 LEU C 45 -10.173 -3.214 4.322 1.00 0.00 H new ATOM 0 HG LEU C 45 -8.970 -1.331 4.827 1.00 0.00 H new ATOM 0 HD11 LEU C 45 -7.359 -0.887 3.037 1.00 0.00 H new ATOM 0 HD12 LEU C 45 -7.711 -2.624 3.194 1.00 0.00 H new ATOM 0 HD13 LEU C 45 -8.439 -1.685 1.870 1.00 0.00 H new ATOM 0 HD21 LEU C 45 -9.081 0.776 3.596 1.00 0.00 H new ATOM 0 HD22 LEU C 45 -10.227 0.043 2.449 1.00 0.00 H new ATOM 0 HD23 LEU C 45 -10.687 0.250 4.155 1.00 0.00 H new ATOM 1464 N ALA C 46 -12.345 -4.576 2.449 1.00 0.00 N ATOM 1465 CA ALA C 46 -12.969 -5.893 2.440 1.00 0.00 C ATOM 1466 C ALA C 46 -12.786 -6.557 1.079 1.00 0.00 C ATOM 1467 O ALA C 46 -12.553 -7.764 0.985 1.00 0.00 O ATOM 1468 CB ALA C 46 -14.447 -5.778 2.785 1.00 0.00 C ATOM 0 H ALA C 46 -12.996 -3.803 2.586 1.00 0.00 H new ATOM 0 HA ALA C 46 -12.486 -6.515 3.194 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -14.901 -6.769 2.775 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -14.556 -5.339 3.777 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -14.944 -5.144 2.051 1.00 0.00 H new ATOM 1474 N GLU C 47 -12.890 -5.750 0.031 1.00 0.00 N ATOM 1475 CA GLU C 47 -12.678 -6.205 -1.336 1.00 0.00 C ATOM 1476 C GLU C 47 -11.259 -6.737 -1.505 1.00 0.00 C ATOM 1477 O GLU C 47 -11.053 -7.859 -1.970 1.00 0.00 O ATOM 1478 CB GLU C 47 -12.917 -5.046 -2.305 1.00 0.00 C ATOM 1479 CG GLU C 47 -12.871 -5.447 -3.767 1.00 0.00 C ATOM 1480 CD GLU C 47 -14.059 -6.294 -4.174 1.00 0.00 C ATOM 1481 OE1 GLU C 47 -15.154 -5.725 -4.389 1.00 0.00 O ATOM 1482 OE2 GLU C 47 -13.912 -7.528 -4.288 1.00 0.00 O ATOM 0 H GLU C 47 -13.124 -4.760 0.106 1.00 0.00 H new ATOM 0 HA GLU C 47 -13.380 -7.010 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU C 47 -13.889 -4.601 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU C 47 -12.167 -4.275 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU C 47 -12.839 -4.550 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU C 47 -11.952 -6.000 -3.960 1.00 0.00 H new ATOM 1489 N ALA C 48 -10.286 -5.917 -1.129 1.00 0.00 N ATOM 1490 CA ALA C 48 -8.884 -6.308 -1.181 1.00 0.00 C ATOM 1491 C ALA C 48 -8.631 -7.556 -0.340 1.00 0.00 C ATOM 1492 O ALA C 48 -7.922 -8.468 -0.769 1.00 0.00 O ATOM 1493 CB ALA C 48 -7.995 -5.168 -0.706 1.00 0.00 C ATOM 0 H ALA C 48 -10.444 -4.971 -0.783 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.639 -6.538 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.951 -5.478 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.144 -4.299 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -8.252 -4.910 0.321 1.00 0.00 H new ATOM 1499 N LYS C 49 -9.209 -7.581 0.861 1.00 0.00 N ATOM 1500 CA LYS C 49 -9.045 -8.700 1.781 1.00 0.00 C ATOM 1501 C LYS C 49 -9.464 -10.027 1.152 1.00 0.00 C ATOM 1502 O LYS C 49 -8.963 -11.084 1.538 1.00 0.00 O ATOM 1503 CB LYS C 49 -9.842 -8.449 3.057 1.00 0.00 C ATOM 1504 CG LYS C 49 -8.979 -8.366 4.296 1.00 0.00 C ATOM 1505 CD LYS C 49 -9.827 -8.320 5.554 1.00 0.00 C ATOM 1506 CE LYS C 49 -8.983 -8.396 6.816 1.00 0.00 C ATOM 1507 NZ LYS C 49 -9.828 -8.450 8.038 1.00 0.00 N ATOM 0 H LYS C 49 -9.800 -6.830 1.219 1.00 0.00 H new ATOM 0 HA LYS C 49 -7.984 -8.774 2.022 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -10.402 -7.520 2.950 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -10.572 -9.248 3.184 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -8.311 -9.227 4.336 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -8.350 -7.477 4.245 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -10.411 -7.399 5.564 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -10.537 -9.147 5.543 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -8.345 -9.279 6.775 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -8.324 -7.529 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -9.219 -8.501 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -10.419 -7.596 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -10.439 -9.291 8.001 1.00 0.00 H new ATOM 1521 N LYS C 50 -10.372 -9.972 0.183 1.00 0.00 N ATOM 1522 CA LYS C 50 -10.796 -11.173 -0.524 1.00 0.00 C ATOM 1523 C LYS C 50 -9.626 -11.778 -1.300 1.00 0.00 C ATOM 1524 O LYS C 50 -9.382 -12.982 -1.229 1.00 0.00 O ATOM 1525 CB LYS C 50 -11.961 -10.862 -1.465 1.00 0.00 C ATOM 1526 CG LYS C 50 -12.472 -12.074 -2.230 1.00 0.00 C ATOM 1527 CD LYS C 50 -13.678 -11.728 -3.085 1.00 0.00 C ATOM 1528 CE LYS C 50 -14.199 -12.945 -3.835 1.00 0.00 C ATOM 1529 NZ LYS C 50 -13.199 -13.486 -4.794 1.00 0.00 N ATOM 0 H LYS C 50 -10.826 -9.113 -0.129 1.00 0.00 H new ATOM 0 HA LYS C 50 -11.136 -11.902 0.211 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -12.781 -10.438 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -11.647 -10.100 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -11.677 -12.467 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -12.738 -12.863 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -14.469 -11.323 -2.453 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -13.408 -10.948 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -14.471 -13.721 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -15.108 -12.676 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -13.654 -14.189 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -12.820 -12.711 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -12.423 -13.937 -4.269 1.00 0.00 H new ATOM 1543 N LEU C 51 -8.885 -10.936 -2.020 1.00 0.00 N ATOM 1544 CA LEU C 51 -7.730 -11.404 -2.782 1.00 0.00 C ATOM 1545 C LEU C 51 -6.632 -11.854 -1.831 1.00 0.00 C ATOM 1546 O LEU C 51 -5.961 -12.861 -2.066 1.00 0.00 O ATOM 1547 CB LEU C 51 -7.180 -10.313 -3.701 1.00 0.00 C ATOM 1548 CG LEU C 51 -8.193 -9.647 -4.631 1.00 0.00 C ATOM 1549 CD1 LEU C 51 -8.565 -8.273 -4.103 1.00 0.00 C ATOM 1550 CD2 LEU C 51 -7.633 -9.546 -6.038 1.00 0.00 C ATOM 0 H LEU C 51 -9.063 -9.934 -2.091 1.00 0.00 H new ATOM 0 HA LEU C 51 -8.059 -12.239 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU C 51 -6.722 -9.541 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU C 51 -6.386 -10.745 -4.310 1.00 0.00 H new ATOM 0 HG LEU C 51 -9.094 -10.260 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -9.287 -7.809 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -9.003 -8.371 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU C 51 -7.672 -7.651 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU C 51 -8.367 -9.069 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU C 51 -6.720 -8.951 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU C 51 -7.410 -10.545 -6.413 1.00 0.00 H new ATOM 1562 N ASN C 52 -6.446 -11.078 -0.767 1.00 0.00 N ATOM 1563 CA ASN C 52 -5.534 -11.434 0.313 1.00 0.00 C ATOM 1564 C ASN C 52 -5.771 -12.867 0.783 1.00 0.00 C ATOM 1565 O ASN C 52 -4.830 -13.649 0.883 1.00 0.00 O ATOM 1566 CB ASN C 52 -5.715 -10.454 1.478 1.00 0.00 C ATOM 1567 CG ASN C 52 -4.945 -10.822 2.741 1.00 0.00 C ATOM 1568 OD1 ASN C 52 -3.810 -11.489 2.597 1.00 0.00 O flip ATOM 1569 ND2 ASN C 52 -5.374 -10.504 3.848 1.00 0.00 N flip ATOM 0 H ASN C 52 -6.923 -10.187 -0.630 1.00 0.00 H new ATOM 0 HA ASN C 52 -4.511 -11.371 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN C 52 -5.402 -9.462 1.153 1.00 0.00 H new ATOM 0 HB3 ASN C 52 -6.776 -10.390 1.720 1.00 0.00 H new ATOM 0 HD21 ASN C 52 -6.252 -9.990 3.927 1.00 0.00 H new ATOM 0 HD22 ASN C 52 -4.852 -10.754 4.688 1.00 0.00 H new ATOM 1576 N ASP C 53 -7.027 -13.214 1.041 1.00 0.00 N ATOM 1577 CA ASP C 53 -7.359 -14.548 1.536 1.00 0.00 C ATOM 1578 C ASP C 53 -7.244 -15.583 0.429 1.00 0.00 C ATOM 1579 O ASP C 53 -6.820 -16.714 0.659 1.00 0.00 O ATOM 1580 CB ASP C 53 -8.769 -14.578 2.131 1.00 0.00 C ATOM 1581 CG ASP C 53 -9.129 -15.948 2.673 1.00 0.00 C ATOM 1582 OD1 ASP C 53 -8.549 -16.354 3.703 1.00 0.00 O ATOM 1583 OD2 ASP C 53 -9.991 -16.626 2.073 1.00 0.00 O ATOM 0 H ASP C 53 -7.829 -12.596 0.917 1.00 0.00 H new ATOM 0 HA ASP C 53 -6.644 -14.794 2.321 1.00 0.00 H new ATOM 0 HB2 ASP C 53 -8.840 -13.842 2.931 1.00 0.00 H new ATOM 0 HB3 ASP C 53 -9.491 -14.289 1.367 1.00 0.00 H new ATOM 1588 N ALA C 54 -7.611 -15.177 -0.771 1.00 0.00 N ATOM 1589 CA ALA C 54 -7.557 -16.043 -1.937 1.00 0.00 C ATOM 1590 C ALA C 54 -6.136 -16.524 -2.211 1.00 0.00 C ATOM 1591 O ALA C 54 -5.894 -17.716 -2.412 1.00 0.00 O ATOM 1592 CB ALA C 54 -8.087 -15.295 -3.137 1.00 0.00 C ATOM 0 H ALA C 54 -7.956 -14.237 -0.967 1.00 0.00 H new ATOM 0 HA ALA C 54 -8.172 -16.921 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA C 54 -8.048 -15.941 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA C 54 -9.118 -14.995 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA C 54 -7.477 -14.409 -3.312 1.00 0.00 H new ATOM 1598 N GLN C 55 -5.201 -15.586 -2.214 1.00 0.00 N ATOM 1599 CA GLN C 55 -3.804 -15.894 -2.482 1.00 0.00 C ATOM 1600 C GLN C 55 -3.087 -16.336 -1.212 1.00 0.00 C ATOM 1601 O GLN C 55 -1.870 -16.520 -1.207 1.00 0.00 O ATOM 1602 CB GLN C 55 -3.100 -14.676 -3.088 1.00 0.00 C ATOM 1603 CG GLN C 55 -3.592 -14.318 -4.482 1.00 0.00 C ATOM 1604 CD GLN C 55 -3.251 -15.377 -5.513 1.00 0.00 C ATOM 1605 OE1 GLN C 55 -2.191 -15.336 -6.138 1.00 0.00 O ATOM 1606 NE2 GLN C 55 -4.149 -16.331 -5.705 1.00 0.00 N ATOM 0 H GLN C 55 -5.386 -14.599 -2.033 1.00 0.00 H new ATOM 0 HA GLN C 55 -3.770 -16.717 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN C 55 -3.244 -13.819 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN C 55 -2.028 -14.870 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN C 55 -4.672 -14.176 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN C 55 -3.153 -13.367 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN C 55 -5.016 -16.331 -5.168 1.00 0.00 H new ATOM 0 HE22 GLN C 55 -3.974 -17.066 -6.390 1.00 0.00 H new ATOM 1615 N ALA C 56 -3.843 -16.498 -0.136 1.00 0.00 N ATOM 1616 CA ALA C 56 -3.286 -16.939 1.128 1.00 0.00 C ATOM 1617 C ALA C 56 -3.313 -18.460 1.229 1.00 0.00 C ATOM 1618 O ALA C 56 -2.327 -19.102 0.810 1.00 0.00 O ATOM 1619 CB ALA C 56 -4.063 -16.314 2.270 1.00 0.00 C ATOM 0 H ALA C 56 -4.849 -16.329 -0.117 1.00 0.00 H new ATOM 0 HA ALA C 56 -2.246 -16.619 1.187 1.00 0.00 H new ATOM 0 HB1 ALA C 56 -3.644 -16.646 3.220 1.00 0.00 H new ATOM 0 HB2 ALA C 56 -3.997 -15.228 2.204 1.00 0.00 H new ATOM 0 HB3 ALA C 56 -5.108 -16.618 2.209 1.00 0.00 H new