USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1063 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 108 HIS : no HE2:sc= -0.771 K(o=-0.77,f=-1.7) USER MOD Set 1.2: B 138 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 160:sc= -0.216 (180deg=-0.825) USER MOD Set 2.2: B 105 GLN : amide:sc= -2.63 K(o=-2.8,f=-5.4!) USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 42 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2!) USER MOD Single : A 5 GLN :FLIP amide:sc= -3.21 F(o=-4.3,f=-3.2) USER MOD Single : A 8 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.7) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -1.51! (180deg=-3.26!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 131:sc= 1.24 (180deg=0.611) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.176 F(o=-0.96,f=-0.18) USER MOD Single : A 52 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.381 F(o=-3.1,f=-0.38) USER MOD Single : A 57 HIS :FLIP no HD1:sc=-0.00216 F(o=-0.86,f=-0.0022) USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.0406 F(o=-0.79,f=-0.041) USER MOD Single : A 66 HIS : no HD1:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0206 (180deg=-0.198) USER MOD Single : A 72 SER OG : rot -74:sc= 0.944 USER MOD Single : B 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= -0.713 K(o=-0.71,f=-3.5!) USER MOD Single : B 143 LYS NZ :NH3+ -151:sc= -1.41 (180deg=-3.27!) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ -134:sc= 0.332 (180deg=-0.638) USER MOD Single : B 150 GLN :FLIP amide:sc= -0.676 F(o=-1.5,f=-0.68) USER MOD Single : B 152 THR OG1 : rot 178:sc= 1.52 USER MOD Single : B 155 ASN :FLIP amide:sc= -0.422 F(o=-3.5,f=-0.42) USER MOD Single : B 157 HIS :FLIP no HD1:sc=-0.00697 F(o=-0.77,f=-0.007) USER MOD Single : B 160 TYR OH : rot 145:sc= 0.814 USER MOD Single : B 164 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.17) USER MOD Single : B 166 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.785 -12.056 -6.692 1.00 73.43 N ATOM 69 CA GLN A 5 8.560 -12.327 -5.922 1.00 62.41 C ATOM 70 C GLN A 5 7.708 -11.047 -5.789 1.00 24.54 C ATOM 71 O GLN A 5 6.624 -11.092 -5.243 1.00 72.41 O ATOM 72 CB GLN A 5 8.898 -12.928 -4.506 1.00 31.04 C ATOM 73 CG GLN A 5 10.020 -12.224 -3.681 1.00 11.53 C ATOM 74 CD GLN A 5 9.946 -10.697 -3.663 1.00 34.22 C ATOM 75 OE1 GLN A 5 9.059 -10.136 -2.865 1.00 52.33 O flip ATOM 76 NE2 GLN A 5 10.602 -10.035 -4.454 1.00 21.15 N flip ATOM 0 HA GLN A 5 7.978 -13.071 -6.466 1.00 62.41 H new ATOM 0 HB2 GLN A 5 7.986 -12.921 -3.910 1.00 31.04 H new ATOM 0 HB3 GLN A 5 9.183 -13.971 -4.641 1.00 31.04 H new ATOM 0 HG2 GLN A 5 9.978 -12.587 -2.654 1.00 11.53 H new ATOM 0 HG3 GLN A 5 10.988 -12.521 -4.084 1.00 11.53 H new ATOM 0 HE21 GLN A 5 11.282 -10.493 -5.061 1.00 21.15 H new ATOM 0 HE22 GLN A 5 10.469 -9.025 -4.507 1.00 21.15 H new ATOM 85 N LEU A 6 8.297 -9.897 -6.198 1.00 60.54 N ATOM 86 CA LEU A 6 7.642 -8.589 -6.184 1.00 71.05 C ATOM 87 C LEU A 6 6.368 -8.652 -7.042 1.00 42.35 C ATOM 88 O LEU A 6 6.398 -9.065 -8.213 1.00 22.32 O ATOM 89 CB LEU A 6 8.644 -7.485 -6.662 1.00 44.40 C ATOM 90 CG LEU A 6 8.298 -6.007 -6.265 1.00 23.10 C ATOM 91 CD1 LEU A 6 9.492 -5.076 -6.509 1.00 35.02 C ATOM 92 CD2 LEU A 6 7.058 -5.472 -6.995 1.00 33.24 C ATOM 0 H LEU A 6 9.254 -9.864 -6.550 1.00 60.54 H new ATOM 0 HA LEU A 6 7.341 -8.322 -5.171 1.00 71.05 H new ATOM 0 HB2 LEU A 6 9.630 -7.723 -6.263 1.00 44.40 H new ATOM 0 HB3 LEU A 6 8.718 -7.538 -7.748 1.00 44.40 H new ATOM 0 HG LEU A 6 8.068 -6.023 -5.200 1.00 23.10 H new ATOM 0 HD11 LEU A 6 9.224 -4.058 -6.225 1.00 35.02 H new ATOM 0 HD12 LEU A 6 10.340 -5.408 -5.911 1.00 35.02 H new ATOM 0 HD13 LEU A 6 9.762 -5.099 -7.565 1.00 35.02 H new ATOM 0 HD21 LEU A 6 6.866 -4.446 -6.682 1.00 33.24 H new ATOM 0 HD22 LEU A 6 7.230 -5.497 -8.071 1.00 33.24 H new ATOM 0 HD23 LEU A 6 6.196 -6.093 -6.751 1.00 33.24 H new ATOM 104 N LEU A 7 5.266 -8.198 -6.440 1.00 75.52 N ATOM 105 CA LEU A 7 3.920 -8.372 -6.972 1.00 73.41 C ATOM 106 C LEU A 7 3.037 -7.190 -6.592 1.00 54.54 C ATOM 107 O LEU A 7 3.504 -6.172 -6.055 1.00 13.43 O ATOM 108 CB LEU A 7 3.357 -9.728 -6.449 1.00 53.11 C ATOM 109 CG LEU A 7 3.539 -10.010 -4.909 1.00 74.34 C ATOM 110 CD1 LEU A 7 2.425 -9.384 -4.036 1.00 71.40 C ATOM 111 CD2 LEU A 7 3.680 -11.514 -4.647 1.00 40.44 C ATOM 0 H LEU A 7 5.289 -7.691 -5.555 1.00 75.52 H new ATOM 0 HA LEU A 7 3.940 -8.401 -8.061 1.00 73.41 H new ATOM 0 HB2 LEU A 7 2.293 -9.769 -6.681 1.00 53.11 H new ATOM 0 HB3 LEU A 7 3.836 -10.535 -7.004 1.00 53.11 H new ATOM 0 HG LEU A 7 4.463 -9.516 -4.608 1.00 74.34 H new ATOM 0 HD11 LEU A 7 2.611 -9.616 -2.987 1.00 71.40 H new ATOM 0 HD12 LEU A 7 2.420 -8.303 -4.173 1.00 71.40 H new ATOM 0 HD13 LEU A 7 1.458 -9.792 -4.332 1.00 71.40 H new ATOM 0 HD21 LEU A 7 3.805 -11.687 -3.578 1.00 40.44 H new ATOM 0 HD22 LEU A 7 2.785 -12.030 -4.996 1.00 40.44 H new ATOM 0 HD23 LEU A 7 4.550 -11.896 -5.180 1.00 40.44 H new ATOM 123 N HIS A 8 1.752 -7.345 -6.894 1.00 54.33 N ATOM 124 CA HIS A 8 0.742 -6.333 -6.637 1.00 35.15 C ATOM 125 C HIS A 8 0.244 -6.479 -5.197 1.00 71.22 C ATOM 126 O HIS A 8 -0.489 -7.423 -4.889 1.00 52.03 O ATOM 127 CB HIS A 8 -0.414 -6.495 -7.653 1.00 33.30 C ATOM 128 CG HIS A 8 0.000 -6.307 -9.100 1.00 15.21 C ATOM 129 ND1 HIS A 8 -0.886 -6.345 -10.158 1.00 55.34 N ATOM 130 CD2 HIS A 8 1.222 -6.127 -9.662 1.00 74.42 C ATOM 131 CE1 HIS A 8 -0.224 -6.205 -11.291 1.00 41.21 C ATOM 132 NE2 HIS A 8 1.050 -6.064 -11.013 1.00 43.30 N ATOM 0 H HIS A 8 1.381 -8.189 -7.330 1.00 54.33 H new ATOM 0 HA HIS A 8 1.162 -5.334 -6.757 1.00 35.15 H new ATOM 0 HB2 HIS A 8 -0.848 -7.488 -7.537 1.00 33.30 H new ATOM 0 HB3 HIS A 8 -1.197 -5.775 -7.414 1.00 33.30 H new ATOM 0 HD2 HIS A 8 2.161 -6.048 -9.134 1.00 74.42 H new ATOM 0 HE1 HIS A 8 -0.658 -6.206 -12.280 1.00 41.21 H new ATOM 0 HE2 HIS A 8 1.793 -5.929 -11.698 1.00 43.30 H new ATOM 141 N ILE A 9 0.698 -5.573 -4.313 1.00 14.11 N ATOM 142 CA ILE A 9 0.265 -5.550 -2.902 1.00 54.13 C ATOM 143 C ILE A 9 -1.199 -5.085 -2.808 1.00 41.31 C ATOM 144 O ILE A 9 -1.715 -4.429 -3.716 1.00 65.53 O ATOM 145 CB ILE A 9 1.169 -4.618 -2.008 1.00 51.12 C ATOM 146 CG1 ILE A 9 0.993 -3.114 -2.404 1.00 13.42 C ATOM 147 CG2 ILE A 9 2.650 -5.057 -2.082 1.00 60.34 C ATOM 148 CD1 ILE A 9 1.854 -2.127 -1.632 1.00 71.24 C ATOM 0 H ILE A 9 1.369 -4.842 -4.552 1.00 14.11 H new ATOM 0 HA ILE A 9 0.363 -6.567 -2.522 1.00 54.13 H new ATOM 0 HB ILE A 9 0.845 -4.720 -0.972 1.00 51.12 H new ATOM 0 HG12 ILE A 9 1.214 -3.008 -3.466 1.00 13.42 H new ATOM 0 HG13 ILE A 9 -0.053 -2.841 -2.267 1.00 13.42 H new ATOM 0 HG21 ILE A 9 3.256 -4.400 -1.458 1.00 60.34 H new ATOM 0 HG22 ILE A 9 2.743 -6.083 -1.727 1.00 60.34 H new ATOM 0 HG23 ILE A 9 2.996 -4.997 -3.114 1.00 60.34 H new ATOM 0 HD11 ILE A 9 1.654 -1.115 -1.985 1.00 71.24 H new ATOM 0 HD12 ILE A 9 1.620 -2.193 -0.569 1.00 71.24 H new ATOM 0 HD13 ILE A 9 2.907 -2.363 -1.787 1.00 71.24 H new ATOM 160 N VAL A 10 -1.833 -5.388 -1.684 1.00 44.22 N ATOM 161 CA VAL A 10 -3.271 -5.164 -1.471 1.00 42.40 C ATOM 162 C VAL A 10 -3.489 -4.101 -0.390 1.00 64.31 C ATOM 163 O VAL A 10 -2.965 -4.197 0.726 1.00 31.32 O ATOM 164 CB VAL A 10 -4.001 -6.513 -1.116 1.00 3.32 C ATOM 165 CG1 VAL A 10 -4.406 -7.259 -2.391 1.00 21.43 C ATOM 166 CG2 VAL A 10 -3.103 -7.411 -0.224 1.00 1.31 C ATOM 0 H VAL A 10 -1.364 -5.802 -0.879 1.00 44.22 H new ATOM 0 HA VAL A 10 -3.709 -4.793 -2.398 1.00 42.40 H new ATOM 0 HB VAL A 10 -4.904 -6.271 -0.555 1.00 3.32 H new ATOM 0 HG11 VAL A 10 -4.909 -8.189 -2.124 1.00 21.43 H new ATOM 0 HG12 VAL A 10 -5.081 -6.636 -2.978 1.00 21.43 H new ATOM 0 HG13 VAL A 10 -3.516 -7.484 -2.979 1.00 21.43 H new ATOM 0 HG21 VAL A 10 -3.630 -8.337 0.007 1.00 1.31 H new ATOM 0 HG22 VAL A 10 -2.179 -7.642 -0.754 1.00 1.31 H new ATOM 0 HG23 VAL A 10 -2.869 -6.886 0.702 1.00 1.31 H new ATOM 176 N VAL A 11 -4.257 -3.070 -0.758 1.00 2.41 N ATOM 177 CA VAL A 11 -4.561 -1.908 0.095 1.00 51.22 C ATOM 178 C VAL A 11 -6.056 -1.568 -0.029 1.00 10.15 C ATOM 179 O VAL A 11 -6.676 -1.866 -1.052 1.00 21.52 O ATOM 180 CB VAL A 11 -3.687 -0.650 -0.304 1.00 61.11 C ATOM 181 CG1 VAL A 11 -2.164 -0.926 -0.169 1.00 72.34 C ATOM 182 CG2 VAL A 11 -4.039 -0.142 -1.725 1.00 40.13 C ATOM 0 H VAL A 11 -4.696 -3.016 -1.677 1.00 2.41 H new ATOM 0 HA VAL A 11 -4.320 -2.165 1.126 1.00 51.22 H new ATOM 0 HB VAL A 11 -3.933 0.140 0.405 1.00 61.11 H new ATOM 0 HG11 VAL A 11 -1.606 -0.034 -0.454 1.00 72.34 H new ATOM 0 HG12 VAL A 11 -1.931 -1.185 0.864 1.00 72.34 H new ATOM 0 HG13 VAL A 11 -1.885 -1.753 -0.822 1.00 72.34 H new ATOM 0 HG21 VAL A 11 -3.420 0.722 -1.966 1.00 40.13 H new ATOM 0 HG22 VAL A 11 -3.855 -0.934 -2.451 1.00 40.13 H new ATOM 0 HG23 VAL A 11 -5.090 0.144 -1.759 1.00 40.13 H new ATOM 192 N GLY A 12 -6.627 -0.951 1.002 1.00 71.43 N ATOM 193 CA GLY A 12 -8.016 -0.509 0.955 1.00 20.24 C ATOM 194 C GLY A 12 -8.448 0.099 2.254 1.00 62.34 C ATOM 195 O GLY A 12 -7.627 0.682 2.955 1.00 40.41 O ATOM 0 H GLY A 12 -6.149 -0.746 1.879 1.00 71.43 H new ATOM 0 HA2 GLY A 12 -8.139 0.219 0.153 1.00 20.24 H new ATOM 0 HA3 GLY A 12 -8.660 -1.356 0.718 1.00 20.24 H new ATOM 199 N GLY A 13 -9.742 -0.030 2.581 1.00 24.42 N ATOM 200 CA GLY A 13 -10.288 0.497 3.818 1.00 44.32 C ATOM 201 C GLY A 13 -11.503 1.339 3.567 1.00 62.44 C ATOM 202 O GLY A 13 -12.121 1.233 2.502 1.00 54.43 O ATOM 0 H GLY A 13 -10.428 -0.502 1.992 1.00 24.42 H new ATOM 0 HA2 GLY A 13 -10.546 -0.327 4.483 1.00 44.32 H new ATOM 0 HA3 GLY A 13 -9.530 1.092 4.327 1.00 44.32 H new ATOM 206 N GLU A 14 -11.827 2.209 4.530 1.00 1.34 N ATOM 207 CA GLU A 14 -13.048 3.002 4.482 1.00 1.33 C ATOM 208 C GLU A 14 -12.856 4.160 3.533 1.00 73.32 C ATOM 209 O GLU A 14 -11.915 4.952 3.681 1.00 33.21 O ATOM 210 CB GLU A 14 -13.466 3.513 5.873 1.00 21.31 C ATOM 211 CG GLU A 14 -13.963 2.399 6.790 1.00 4.20 C ATOM 212 CD GLU A 14 -14.498 2.914 8.129 1.00 5.25 C ATOM 213 OE1 GLU A 14 -13.693 3.313 8.995 1.00 52.01 O ATOM 214 OE2 GLU A 14 -15.729 2.918 8.322 1.00 43.13 O ATOM 0 H GLU A 14 -11.252 2.378 5.355 1.00 1.34 H new ATOM 0 HA GLU A 14 -13.853 2.359 4.125 1.00 1.33 H new ATOM 0 HB2 GLU A 14 -12.617 4.011 6.342 1.00 21.31 H new ATOM 0 HB3 GLU A 14 -14.251 4.260 5.759 1.00 21.31 H new ATOM 0 HG2 GLU A 14 -14.750 1.843 6.281 1.00 4.20 H new ATOM 0 HG3 GLU A 14 -13.148 1.700 6.976 1.00 4.20 H new ATOM 221 N LEU A 15 -13.722 4.189 2.534 1.00 34.40 N ATOM 222 CA LEU A 15 -13.834 5.285 1.574 1.00 73.41 C ATOM 223 C LEU A 15 -14.994 6.189 2.005 1.00 11.02 C ATOM 224 O LEU A 15 -15.716 5.871 2.957 1.00 70.01 O ATOM 225 CB LEU A 15 -14.050 4.722 0.140 1.00 55.32 C ATOM 226 CG LEU A 15 -12.997 3.668 -0.360 1.00 31.23 C ATOM 227 CD1 LEU A 15 -13.031 3.521 -1.886 1.00 1.30 C ATOM 228 CD2 LEU A 15 -11.569 3.979 0.117 1.00 62.41 C ATOM 0 H LEU A 15 -14.385 3.434 2.360 1.00 34.40 H new ATOM 0 HA LEU A 15 -12.915 5.871 1.556 1.00 73.41 H new ATOM 0 HB2 LEU A 15 -15.039 4.265 0.097 1.00 55.32 H new ATOM 0 HB3 LEU A 15 -14.055 5.558 -0.559 1.00 55.32 H new ATOM 0 HG LEU A 15 -13.286 2.718 0.088 1.00 31.23 H new ATOM 0 HD11 LEU A 15 -12.290 2.784 -2.197 1.00 1.30 H new ATOM 0 HD12 LEU A 15 -14.022 3.193 -2.198 1.00 1.30 H new ATOM 0 HD13 LEU A 15 -12.804 4.481 -2.349 1.00 1.30 H new ATOM 0 HD21 LEU A 15 -10.886 3.217 -0.259 1.00 62.41 H new ATOM 0 HD22 LEU A 15 -11.265 4.956 -0.258 1.00 62.41 H new ATOM 0 HD23 LEU A 15 -11.542 3.984 1.207 1.00 62.41 H new ATOM 240 N LYS A 16 -15.150 7.331 1.342 1.00 33.41 N ATOM 241 CA LYS A 16 -16.280 8.240 1.595 1.00 40.34 C ATOM 242 C LYS A 16 -17.583 7.681 0.993 1.00 12.12 C ATOM 243 O LYS A 16 -18.684 7.991 1.473 1.00 22.25 O ATOM 244 CB LYS A 16 -15.974 9.641 1.029 1.00 4.02 C ATOM 245 CG LYS A 16 -14.804 10.349 1.733 1.00 70.32 C ATOM 246 CD LYS A 16 -14.580 11.783 1.223 1.00 42.14 C ATOM 247 CE LYS A 16 -13.455 12.487 1.979 1.00 74.05 C ATOM 248 NZ LYS A 16 -13.242 13.872 1.496 1.00 23.12 N ATOM 0 H LYS A 16 -14.508 7.657 0.620 1.00 33.41 H new ATOM 0 HA LYS A 16 -16.419 8.323 2.673 1.00 40.34 H new ATOM 0 HB2 LYS A 16 -15.747 9.553 -0.034 1.00 4.02 H new ATOM 0 HB3 LYS A 16 -16.867 10.261 1.114 1.00 4.02 H new ATOM 0 HG2 LYS A 16 -14.994 10.376 2.806 1.00 70.32 H new ATOM 0 HG3 LYS A 16 -13.893 9.769 1.585 1.00 70.32 H new ATOM 0 HD2 LYS A 16 -14.342 11.757 0.160 1.00 42.14 H new ATOM 0 HD3 LYS A 16 -15.502 12.354 1.330 1.00 42.14 H new ATOM 0 HE2 LYS A 16 -13.690 12.507 3.043 1.00 74.05 H new ATOM 0 HE3 LYS A 16 -12.532 11.918 1.867 1.00 74.05 H new ATOM 0 HZ1 LYS A 16 -12.735 14.419 2.221 1.00 23.12 H new ATOM 0 HZ2 LYS A 16 -12.679 13.852 0.622 1.00 23.12 H new ATOM 0 HZ3 LYS A 16 -14.162 14.319 1.306 1.00 23.12 H new ATOM 262 N ASP A 17 -17.439 6.832 -0.040 1.00 45.14 N ATOM 263 CA ASP A 17 -18.577 6.217 -0.739 1.00 44.33 C ATOM 264 C ASP A 17 -18.181 4.819 -1.255 1.00 43.52 C ATOM 265 O ASP A 17 -16.999 4.559 -1.516 1.00 34.23 O ATOM 266 CB ASP A 17 -19.052 7.126 -1.902 1.00 62.25 C ATOM 267 CG ASP A 17 -20.449 6.752 -2.426 1.00 64.42 C ATOM 268 OD1 ASP A 17 -20.560 5.901 -3.329 1.00 64.32 O ATOM 269 OD2 ASP A 17 -21.450 7.300 -1.916 1.00 72.35 O ATOM 0 H ASP A 17 -16.531 6.554 -0.412 1.00 45.14 H new ATOM 0 HA ASP A 17 -19.407 6.105 -0.041 1.00 44.33 H new ATOM 0 HB2 ASP A 17 -19.062 8.162 -1.565 1.00 62.25 H new ATOM 0 HB3 ASP A 17 -18.335 7.064 -2.720 1.00 62.25 H new ATOM 274 N VAL A 18 -19.181 3.926 -1.397 1.00 11.13 N ATOM 275 CA VAL A 18 -18.981 2.554 -1.921 1.00 41.43 C ATOM 276 C VAL A 18 -18.544 2.582 -3.406 1.00 54.53 C ATOM 277 O VAL A 18 -17.632 1.861 -3.805 1.00 65.43 O ATOM 278 CB VAL A 18 -20.282 1.674 -1.750 1.00 1.44 C ATOM 279 CG1 VAL A 18 -20.522 1.323 -0.263 1.00 34.05 C ATOM 280 CG2 VAL A 18 -21.523 2.377 -2.358 1.00 24.20 C ATOM 0 H VAL A 18 -20.150 4.132 -1.153 1.00 11.13 H new ATOM 0 HA VAL A 18 -18.184 2.098 -1.334 1.00 41.43 H new ATOM 0 HB VAL A 18 -20.125 0.744 -2.297 1.00 1.44 H new ATOM 0 HG11 VAL A 18 -21.424 0.717 -0.173 1.00 34.05 H new ATOM 0 HG12 VAL A 18 -19.669 0.764 0.121 1.00 34.05 H new ATOM 0 HG13 VAL A 18 -20.643 2.241 0.313 1.00 34.05 H new ATOM 0 HG21 VAL A 18 -22.401 1.745 -2.224 1.00 24.20 H new ATOM 0 HG22 VAL A 18 -21.683 3.332 -1.857 1.00 24.20 H new ATOM 0 HG23 VAL A 18 -21.359 2.549 -3.422 1.00 24.20 H new ATOM 290 N ALA A 19 -19.199 3.440 -4.203 1.00 55.05 N ATOM 291 CA ALA A 19 -18.864 3.652 -5.627 1.00 52.41 C ATOM 292 C ALA A 19 -17.752 4.712 -5.788 1.00 42.21 C ATOM 293 O ALA A 19 -17.299 4.967 -6.910 1.00 10.33 O ATOM 294 CB ALA A 19 -20.129 4.060 -6.404 1.00 43.12 C ATOM 0 H ALA A 19 -19.980 4.011 -3.880 1.00 55.05 H new ATOM 0 HA ALA A 19 -18.484 2.717 -6.037 1.00 52.41 H new ATOM 0 HB1 ALA A 19 -19.877 4.215 -7.453 1.00 43.12 H new ATOM 0 HB2 ALA A 19 -20.876 3.271 -6.323 1.00 43.12 H new ATOM 0 HB3 ALA A 19 -20.530 4.984 -5.987 1.00 43.12 H new ATOM 300 N GLY A 20 -17.343 5.331 -4.661 1.00 54.45 N ATOM 301 CA GLY A 20 -16.216 6.267 -4.628 1.00 14.12 C ATOM 302 C GLY A 20 -14.866 5.560 -4.641 1.00 32.04 C ATOM 303 O GLY A 20 -14.808 4.320 -4.654 1.00 23.40 O ATOM 0 H GLY A 20 -17.788 5.192 -3.754 1.00 54.45 H new ATOM 0 HA2 GLY A 20 -16.279 6.937 -5.486 1.00 14.12 H new ATOM 0 HA3 GLY A 20 -16.289 6.886 -3.734 1.00 14.12 H new ATOM 307 N VAL A 21 -13.778 6.348 -4.649 1.00 35.31 N ATOM 308 CA VAL A 21 -12.396 5.813 -4.600 1.00 44.25 C ATOM 309 C VAL A 21 -11.503 6.679 -3.675 1.00 63.12 C ATOM 310 O VAL A 21 -10.312 6.385 -3.464 1.00 54.02 O ATOM 311 CB VAL A 21 -11.781 5.670 -6.043 1.00 20.53 C ATOM 312 CG1 VAL A 21 -11.433 7.039 -6.670 1.00 73.04 C ATOM 313 CG2 VAL A 21 -10.574 4.703 -6.046 1.00 3.51 C ATOM 0 H VAL A 21 -13.824 7.366 -4.689 1.00 35.31 H new ATOM 0 HA VAL A 21 -12.438 4.811 -4.174 1.00 44.25 H new ATOM 0 HB VAL A 21 -12.550 5.231 -6.679 1.00 20.53 H new ATOM 0 HG11 VAL A 21 -11.012 6.888 -7.664 1.00 73.04 H new ATOM 0 HG12 VAL A 21 -12.336 7.644 -6.747 1.00 73.04 H new ATOM 0 HG13 VAL A 21 -10.705 7.552 -6.042 1.00 73.04 H new ATOM 0 HG21 VAL A 21 -10.172 4.626 -7.056 1.00 3.51 H new ATOM 0 HG22 VAL A 21 -9.802 5.082 -5.376 1.00 3.51 H new ATOM 0 HG23 VAL A 21 -10.896 3.718 -5.707 1.00 3.51 H new ATOM 323 N GLU A 22 -12.109 7.714 -3.088 1.00 24.42 N ATOM 324 CA GLU A 22 -11.417 8.648 -2.191 1.00 34.23 C ATOM 325 C GLU A 22 -11.620 8.175 -0.751 1.00 71.41 C ATOM 326 O GLU A 22 -12.727 7.792 -0.362 1.00 41.14 O ATOM 327 CB GLU A 22 -11.884 10.126 -2.384 1.00 42.12 C ATOM 328 CG GLU A 22 -13.352 10.448 -2.026 1.00 74.53 C ATOM 329 CD GLU A 22 -14.376 9.922 -3.040 1.00 12.11 C ATOM 330 OE1 GLU A 22 -14.632 10.618 -4.048 1.00 75.14 O ATOM 331 OE2 GLU A 22 -14.919 8.811 -2.844 1.00 60.52 O ATOM 0 H GLU A 22 -13.097 7.930 -3.221 1.00 24.42 H new ATOM 0 HA GLU A 22 -10.355 8.647 -2.435 1.00 34.23 H new ATOM 0 HB2 GLU A 22 -11.240 10.767 -1.782 1.00 42.12 H new ATOM 0 HB3 GLU A 22 -11.721 10.400 -3.426 1.00 42.12 H new ATOM 0 HG2 GLU A 22 -13.577 10.025 -1.047 1.00 74.53 H new ATOM 0 HG3 GLU A 22 -13.465 11.529 -1.940 1.00 74.53 H new ATOM 338 N PHE A 23 -10.532 8.197 0.017 1.00 35.44 N ATOM 339 CA PHE A 23 -10.466 7.629 1.368 1.00 31.13 C ATOM 340 C PHE A 23 -11.276 8.485 2.367 1.00 11.25 C ATOM 341 O PHE A 23 -11.210 9.710 2.330 1.00 53.15 O ATOM 342 CB PHE A 23 -8.967 7.524 1.774 1.00 54.11 C ATOM 343 CG PHE A 23 -8.091 6.754 0.754 1.00 63.31 C ATOM 344 CD1 PHE A 23 -8.492 5.509 0.260 1.00 52.14 C ATOM 345 CD2 PHE A 23 -6.876 7.268 0.292 1.00 30.25 C ATOM 346 CE1 PHE A 23 -7.719 4.810 -0.651 1.00 3.43 C ATOM 347 CE2 PHE A 23 -6.102 6.567 -0.619 1.00 13.14 C ATOM 348 CZ PHE A 23 -6.524 5.338 -1.085 1.00 13.41 C ATOM 0 H PHE A 23 -9.653 8.618 -0.286 1.00 35.44 H new ATOM 0 HA PHE A 23 -10.914 6.635 1.383 1.00 31.13 H new ATOM 0 HB2 PHE A 23 -8.564 8.529 1.898 1.00 54.11 H new ATOM 0 HB3 PHE A 23 -8.897 7.030 2.743 1.00 54.11 H new ATOM 0 HD1 PHE A 23 -9.426 5.083 0.597 1.00 52.14 H new ATOM 0 HD2 PHE A 23 -6.535 8.228 0.651 1.00 30.25 H new ATOM 0 HE1 PHE A 23 -8.053 3.852 -1.021 1.00 3.43 H new ATOM 0 HE2 PHE A 23 -5.167 6.983 -0.965 1.00 13.14 H new ATOM 0 HZ PHE A 23 -5.916 4.791 -1.790 1.00 13.41 H new ATOM 358 N ARG A 24 -12.061 7.821 3.234 1.00 64.51 N ATOM 359 CA ARG A 24 -12.841 8.481 4.314 1.00 34.42 C ATOM 360 C ARG A 24 -11.899 9.270 5.222 1.00 21.33 C ATOM 361 O ARG A 24 -12.147 10.436 5.560 1.00 3.03 O ATOM 362 CB ARG A 24 -13.614 7.417 5.126 1.00 42.33 C ATOM 363 CG ARG A 24 -14.532 7.960 6.237 1.00 24.33 C ATOM 364 CD ARG A 24 -15.352 6.849 6.909 1.00 43.35 C ATOM 365 NE ARG A 24 -16.295 7.397 7.904 1.00 70.55 N ATOM 366 CZ ARG A 24 -17.080 6.673 8.719 1.00 73.25 C ATOM 367 NH1 ARG A 24 -17.058 5.348 8.696 1.00 12.34 N ATOM 368 NH2 ARG A 24 -17.881 7.287 9.576 1.00 53.13 N ATOM 0 H ARG A 24 -12.177 6.808 3.211 1.00 64.51 H new ATOM 0 HA ARG A 24 -13.560 9.172 3.873 1.00 34.42 H new ATOM 0 HB2 ARG A 24 -14.219 6.829 4.436 1.00 42.33 H new ATOM 0 HB3 ARG A 24 -12.892 6.736 5.577 1.00 42.33 H new ATOM 0 HG2 ARG A 24 -13.928 8.468 6.989 1.00 24.33 H new ATOM 0 HG3 ARG A 24 -15.208 8.704 5.816 1.00 24.33 H new ATOM 0 HD2 ARG A 24 -15.904 6.294 6.151 1.00 43.35 H new ATOM 0 HD3 ARG A 24 -14.679 6.142 7.395 1.00 43.35 H new ATOM 0 HE ARG A 24 -16.356 8.412 7.979 1.00 70.55 H new ATOM 0 HH11 ARG A 24 -16.437 4.859 8.051 1.00 12.34 H new ATOM 0 HH12 ARG A 24 -17.662 4.817 9.323 1.00 12.34 H new ATOM 0 HH21 ARG A 24 -17.900 8.306 9.616 1.00 53.13 H new ATOM 0 HH22 ARG A 24 -18.479 6.741 10.197 1.00 53.13 H new ATOM 382 N ASP A 25 -10.797 8.598 5.556 1.00 64.22 N ATOM 383 CA ASP A 25 -9.679 9.163 6.289 1.00 22.11 C ATOM 384 C ASP A 25 -8.494 8.211 6.115 1.00 70.14 C ATOM 385 O ASP A 25 -8.680 6.986 6.037 1.00 64.21 O ATOM 386 CB ASP A 25 -10.033 9.374 7.787 1.00 42.52 C ATOM 387 CG ASP A 25 -8.927 10.089 8.575 1.00 42.21 C ATOM 388 OD1 ASP A 25 -8.796 11.325 8.441 1.00 74.35 O ATOM 389 OD2 ASP A 25 -8.167 9.425 9.305 1.00 43.01 O ATOM 0 H ASP A 25 -10.660 7.617 5.314 1.00 64.22 H new ATOM 0 HA ASP A 25 -9.427 10.150 5.900 1.00 22.11 H new ATOM 0 HB2 ASP A 25 -10.953 9.954 7.858 1.00 42.52 H new ATOM 0 HB3 ASP A 25 -10.230 8.406 8.247 1.00 42.52 H new ATOM 394 N LEU A 26 -7.289 8.775 6.055 1.00 63.24 N ATOM 395 CA LEU A 26 -6.052 8.035 5.763 1.00 11.54 C ATOM 396 C LEU A 26 -5.606 7.132 6.944 1.00 54.23 C ATOM 397 O LEU A 26 -4.634 6.375 6.813 1.00 2.30 O ATOM 398 CB LEU A 26 -4.933 9.034 5.363 1.00 32.32 C ATOM 399 CG LEU A 26 -5.241 10.015 4.167 1.00 50.24 C ATOM 400 CD1 LEU A 26 -5.914 9.310 2.982 1.00 25.44 C ATOM 401 CD2 LEU A 26 -6.025 11.280 4.601 1.00 71.53 C ATOM 0 H LEU A 26 -7.137 9.772 6.209 1.00 63.24 H new ATOM 0 HA LEU A 26 -6.251 7.363 4.928 1.00 11.54 H new ATOM 0 HB2 LEU A 26 -4.687 9.635 6.239 1.00 32.32 H new ATOM 0 HB3 LEU A 26 -4.042 8.460 5.109 1.00 32.32 H new ATOM 0 HG LEU A 26 -4.267 10.360 3.821 1.00 50.24 H new ATOM 0 HD11 LEU A 26 -6.103 10.033 2.188 1.00 25.44 H new ATOM 0 HD12 LEU A 26 -5.260 8.523 2.608 1.00 25.44 H new ATOM 0 HD13 LEU A 26 -6.858 8.873 3.307 1.00 25.44 H new ATOM 0 HD21 LEU A 26 -6.205 11.913 3.732 1.00 71.53 H new ATOM 0 HD22 LEU A 26 -6.979 10.985 5.038 1.00 71.53 H new ATOM 0 HD23 LEU A 26 -5.444 11.833 5.339 1.00 71.53 H new ATOM 413 N SER A 27 -6.311 7.231 8.090 1.00 53.52 N ATOM 414 CA SER A 27 -6.139 6.325 9.241 1.00 21.00 C ATOM 415 C SER A 27 -7.229 5.227 9.235 1.00 14.15 C ATOM 416 O SER A 27 -7.020 4.141 9.789 1.00 35.30 O ATOM 417 CB SER A 27 -6.179 7.122 10.571 1.00 72.12 C ATOM 418 OG SER A 27 -5.944 6.291 11.705 1.00 64.12 O ATOM 0 H SER A 27 -7.021 7.948 8.242 1.00 53.52 H new ATOM 0 HA SER A 27 -5.165 5.844 9.157 1.00 21.00 H new ATOM 0 HB2 SER A 27 -5.430 7.913 10.541 1.00 72.12 H new ATOM 0 HB3 SER A 27 -7.150 7.607 10.673 1.00 72.12 H new ATOM 0 HG SER A 27 -5.977 6.834 12.520 1.00 64.12 H new ATOM 424 N LYS A 28 -8.386 5.514 8.592 1.00 44.51 N ATOM 425 CA LYS A 28 -9.525 4.564 8.497 1.00 53.45 C ATOM 426 C LYS A 28 -9.334 3.561 7.350 1.00 61.30 C ATOM 427 O LYS A 28 -10.192 2.692 7.135 1.00 43.10 O ATOM 428 CB LYS A 28 -10.865 5.333 8.309 1.00 54.44 C ATOM 429 CG LYS A 28 -11.202 6.317 9.445 1.00 11.52 C ATOM 430 CD LYS A 28 -11.278 5.638 10.831 1.00 41.20 C ATOM 431 CE LYS A 28 -11.449 6.643 11.979 1.00 62.30 C ATOM 432 NZ LYS A 28 -11.441 5.967 13.302 1.00 25.10 N ATOM 0 H LYS A 28 -8.558 6.405 8.126 1.00 44.51 H new ATOM 0 HA LYS A 28 -9.560 4.005 9.432 1.00 53.45 H new ATOM 0 HB2 LYS A 28 -10.825 5.883 7.369 1.00 54.44 H new ATOM 0 HB3 LYS A 28 -11.675 4.609 8.220 1.00 54.44 H new ATOM 0 HG2 LYS A 28 -10.447 7.103 9.473 1.00 11.52 H new ATOM 0 HG3 LYS A 28 -12.156 6.798 9.230 1.00 11.52 H new ATOM 0 HD2 LYS A 28 -12.112 4.937 10.841 1.00 41.20 H new ATOM 0 HD3 LYS A 28 -10.371 5.057 10.996 1.00 41.20 H new ATOM 0 HE2 LYS A 28 -10.647 7.380 11.941 1.00 62.30 H new ATOM 0 HE3 LYS A 28 -12.386 7.185 11.852 1.00 62.30 H new ATOM 0 HZ1 LYS A 28 -11.559 6.675 14.054 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 -12.222 5.282 13.346 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 -10.537 5.470 13.433 1.00 25.10 H new ATOM 446 N VAL A 29 -8.224 3.685 6.603 1.00 13.01 N ATOM 447 CA VAL A 29 -7.915 2.790 5.484 1.00 21.44 C ATOM 448 C VAL A 29 -6.985 1.658 5.950 1.00 34.53 C ATOM 449 O VAL A 29 -5.854 1.896 6.394 1.00 51.52 O ATOM 450 CB VAL A 29 -7.330 3.569 4.246 1.00 40.43 C ATOM 451 CG1 VAL A 29 -8.397 4.531 3.701 1.00 64.24 C ATOM 452 CG2 VAL A 29 -6.018 4.323 4.570 1.00 70.10 C ATOM 0 H VAL A 29 -7.521 4.407 6.760 1.00 13.01 H new ATOM 0 HA VAL A 29 -8.847 2.341 5.142 1.00 21.44 H new ATOM 0 HB VAL A 29 -7.071 2.833 3.485 1.00 40.43 H new ATOM 0 HG11 VAL A 29 -7.996 5.072 2.844 1.00 64.24 H new ATOM 0 HG12 VAL A 29 -9.275 3.964 3.393 1.00 64.24 H new ATOM 0 HG13 VAL A 29 -8.678 5.241 4.479 1.00 64.24 H new ATOM 0 HG21 VAL A 29 -5.665 4.840 3.677 1.00 70.10 H new ATOM 0 HG22 VAL A 29 -6.202 5.050 5.361 1.00 70.10 H new ATOM 0 HG23 VAL A 29 -5.261 3.611 4.900 1.00 70.10 H new ATOM 462 N GLU A 30 -7.498 0.422 5.895 1.00 32.12 N ATOM 463 CA GLU A 30 -6.758 -0.776 6.284 1.00 24.31 C ATOM 464 C GLU A 30 -6.010 -1.333 5.068 1.00 31.14 C ATOM 465 O GLU A 30 -6.626 -1.865 4.131 1.00 53.30 O ATOM 466 CB GLU A 30 -7.713 -1.842 6.866 1.00 32.13 C ATOM 467 CG GLU A 30 -7.020 -3.168 7.272 1.00 74.13 C ATOM 468 CD GLU A 30 -7.994 -4.189 7.869 1.00 10.21 C ATOM 469 OE1 GLU A 30 -8.892 -4.642 7.136 1.00 42.12 O ATOM 470 OE2 GLU A 30 -7.862 -4.550 9.062 1.00 34.42 O ATOM 0 H GLU A 30 -8.447 0.228 5.576 1.00 32.12 H new ATOM 0 HA GLU A 30 -6.037 -0.512 7.058 1.00 24.31 H new ATOM 0 HB2 GLU A 30 -8.214 -1.425 7.740 1.00 32.13 H new ATOM 0 HB3 GLU A 30 -8.486 -2.061 6.129 1.00 32.13 H new ATOM 0 HG2 GLU A 30 -6.537 -3.603 6.397 1.00 74.13 H new ATOM 0 HG3 GLU A 30 -6.235 -2.955 7.997 1.00 74.13 H new ATOM 477 N PHE A 31 -4.686 -1.165 5.081 1.00 53.14 N ATOM 478 CA PHE A 31 -3.791 -1.794 4.119 1.00 32.53 C ATOM 479 C PHE A 31 -3.826 -3.301 4.380 1.00 13.13 C ATOM 480 O PHE A 31 -3.383 -3.749 5.446 1.00 22.43 O ATOM 481 CB PHE A 31 -2.357 -1.229 4.284 1.00 61.43 C ATOM 482 CG PHE A 31 -2.291 0.299 4.205 1.00 43.11 C ATOM 483 CD1 PHE A 31 -2.127 0.947 2.983 1.00 50.23 C ATOM 484 CD2 PHE A 31 -2.420 1.090 5.352 1.00 54.01 C ATOM 485 CE1 PHE A 31 -2.097 2.323 2.907 1.00 2.13 C ATOM 486 CE2 PHE A 31 -2.385 2.468 5.271 1.00 63.53 C ATOM 487 CZ PHE A 31 -2.227 3.082 4.048 1.00 5.30 C ATOM 0 H PHE A 31 -4.205 -0.583 5.767 1.00 53.14 H new ATOM 0 HA PHE A 31 -4.105 -1.588 3.096 1.00 32.53 H new ATOM 0 HB2 PHE A 31 -1.955 -1.553 5.244 1.00 61.43 H new ATOM 0 HB3 PHE A 31 -1.716 -1.653 3.511 1.00 61.43 H new ATOM 0 HD1 PHE A 31 -2.022 0.362 2.081 1.00 50.23 H new ATOM 0 HD2 PHE A 31 -2.549 0.616 6.314 1.00 54.01 H new ATOM 0 HE1 PHE A 31 -1.971 2.807 1.950 1.00 2.13 H new ATOM 0 HE2 PHE A 31 -2.481 3.064 6.166 1.00 63.53 H new ATOM 0 HZ PHE A 31 -2.205 4.160 3.984 1.00 5.30 H new ATOM 497 N VAL A 32 -4.416 -4.051 3.438 1.00 63.44 N ATOM 498 CA VAL A 32 -4.641 -5.509 3.568 1.00 43.25 C ATOM 499 C VAL A 32 -3.309 -6.247 3.802 1.00 45.04 C ATOM 500 O VAL A 32 -3.245 -7.236 4.538 1.00 21.31 O ATOM 501 CB VAL A 32 -5.364 -6.088 2.294 1.00 45.54 C ATOM 502 CG1 VAL A 32 -5.720 -7.592 2.436 1.00 13.23 C ATOM 503 CG2 VAL A 32 -6.605 -5.256 1.931 1.00 4.25 C ATOM 0 H VAL A 32 -4.755 -3.666 2.556 1.00 63.44 H new ATOM 0 HA VAL A 32 -5.287 -5.669 4.431 1.00 43.25 H new ATOM 0 HB VAL A 32 -4.651 -6.013 1.473 1.00 45.54 H new ATOM 0 HG11 VAL A 32 -6.216 -7.936 1.528 1.00 13.23 H new ATOM 0 HG12 VAL A 32 -4.808 -8.169 2.592 1.00 13.23 H new ATOM 0 HG13 VAL A 32 -6.386 -7.729 3.288 1.00 13.23 H new ATOM 0 HG21 VAL A 32 -7.082 -5.681 1.048 1.00 4.25 H new ATOM 0 HG22 VAL A 32 -7.308 -5.268 2.764 1.00 4.25 H new ATOM 0 HG23 VAL A 32 -6.306 -4.229 1.723 1.00 4.25 H new ATOM 513 N GLY A 33 -2.247 -5.716 3.184 1.00 43.42 N ATOM 514 CA GLY A 33 -0.896 -6.231 3.330 1.00 61.20 C ATOM 515 C GLY A 33 -0.311 -6.585 1.978 1.00 71.32 C ATOM 516 O GLY A 33 -0.495 -5.847 1.005 1.00 13.10 O ATOM 0 H GLY A 33 -2.311 -4.909 2.564 1.00 43.42 H new ATOM 0 HA2 GLY A 33 -0.268 -5.487 3.820 1.00 61.20 H new ATOM 0 HA3 GLY A 33 -0.904 -7.113 3.971 1.00 61.20 H new ATOM 520 N ALA A 34 0.399 -7.702 1.923 1.00 25.54 N ATOM 521 CA ALA A 34 0.881 -8.308 0.682 1.00 34.32 C ATOM 522 C ALA A 34 0.935 -9.823 0.891 1.00 44.54 C ATOM 523 O ALA A 34 0.874 -10.305 2.037 1.00 12.25 O ATOM 524 CB ALA A 34 2.253 -7.745 0.295 1.00 22.54 C ATOM 0 H ALA A 34 0.664 -8.227 2.756 1.00 25.54 H new ATOM 0 HA ALA A 34 0.206 -8.074 -0.141 1.00 34.32 H new ATOM 0 HB1 ALA A 34 2.590 -8.211 -0.631 1.00 22.54 H new ATOM 0 HB2 ALA A 34 2.177 -6.667 0.152 1.00 22.54 H new ATOM 0 HB3 ALA A 34 2.970 -7.956 1.089 1.00 22.54 H new ATOM 530 N TYR A 35 1.038 -10.570 -0.203 1.00 31.15 N ATOM 531 CA TYR A 35 0.967 -12.044 -0.182 1.00 3.53 C ATOM 532 C TYR A 35 2.127 -12.640 -0.986 1.00 52.04 C ATOM 533 O TYR A 35 2.609 -11.981 -1.883 1.00 30.25 O ATOM 534 CB TYR A 35 -0.404 -12.489 -0.746 1.00 53.52 C ATOM 535 CG TYR A 35 -1.585 -12.241 0.206 1.00 1.33 C ATOM 536 CD1 TYR A 35 -2.239 -11.006 0.267 1.00 22.54 C ATOM 537 CD2 TYR A 35 -2.038 -13.245 1.063 1.00 40.01 C ATOM 538 CE1 TYR A 35 -3.290 -10.794 1.137 1.00 53.13 C ATOM 539 CE2 TYR A 35 -3.089 -13.030 1.928 1.00 44.22 C ATOM 540 CZ TYR A 35 -3.711 -11.808 1.960 1.00 23.40 C ATOM 541 OH TYR A 35 -4.758 -11.601 2.824 1.00 33.22 O ATOM 0 H TYR A 35 1.173 -10.179 -1.135 1.00 31.15 H new ATOM 0 HA TYR A 35 1.058 -12.409 0.841 1.00 3.53 H new ATOM 0 HB2 TYR A 35 -0.588 -11.961 -1.682 1.00 53.52 H new ATOM 0 HB3 TYR A 35 -0.359 -13.552 -0.983 1.00 53.52 H new ATOM 0 HD1 TYR A 35 -1.916 -10.203 -0.379 1.00 22.54 H new ATOM 0 HD2 TYR A 35 -1.555 -14.211 1.048 1.00 40.01 H new ATOM 0 HE1 TYR A 35 -3.780 -9.832 1.170 1.00 53.13 H new ATOM 0 HE2 TYR A 35 -3.423 -13.823 2.580 1.00 44.22 H new ATOM 0 HH TYR A 35 -4.929 -12.421 3.333 1.00 33.22 H new ATOM 551 N PRO A 36 2.584 -13.909 -0.689 1.00 21.11 N ATOM 552 CA PRO A 36 3.760 -14.533 -1.370 1.00 3.22 C ATOM 553 C PRO A 36 3.540 -14.846 -2.876 1.00 50.14 C ATOM 554 O PRO A 36 4.453 -15.354 -3.535 1.00 55.04 O ATOM 555 CB PRO A 36 3.991 -15.836 -0.551 1.00 42.25 C ATOM 556 CG PRO A 36 2.643 -16.162 0.020 1.00 2.24 C ATOM 557 CD PRO A 36 2.018 -14.826 0.351 1.00 75.32 C ATOM 0 HA PRO A 36 4.612 -13.854 -1.384 1.00 3.22 H new ATOM 0 HB2 PRO A 36 4.360 -16.643 -1.184 1.00 42.25 H new ATOM 0 HB3 PRO A 36 4.730 -15.685 0.236 1.00 42.25 H new ATOM 0 HG2 PRO A 36 2.035 -16.714 -0.697 1.00 2.24 H new ATOM 0 HG3 PRO A 36 2.733 -16.786 0.909 1.00 2.24 H new ATOM 0 HD2 PRO A 36 0.930 -14.868 0.300 1.00 75.32 H new ATOM 0 HD3 PRO A 36 2.278 -14.500 1.358 1.00 75.32 H new ATOM 565 N SER A 37 2.339 -14.544 -3.410 1.00 73.52 N ATOM 566 CA SER A 37 2.017 -14.715 -4.837 1.00 22.20 C ATOM 567 C SER A 37 0.977 -13.658 -5.244 1.00 72.13 C ATOM 568 O SER A 37 0.126 -13.263 -4.427 1.00 72.22 O ATOM 569 CB SER A 37 1.495 -16.142 -5.133 1.00 51.23 C ATOM 570 OG SER A 37 2.443 -17.140 -4.779 1.00 25.04 O ATOM 0 H SER A 37 1.564 -14.174 -2.860 1.00 73.52 H new ATOM 0 HA SER A 37 2.926 -14.580 -5.423 1.00 22.20 H new ATOM 0 HB2 SER A 37 0.569 -16.310 -4.583 1.00 51.23 H new ATOM 0 HB3 SER A 37 1.257 -16.228 -6.193 1.00 51.23 H new ATOM 0 HG SER A 37 2.076 -18.026 -4.980 1.00 25.04 H new ATOM 576 N TYR A 38 1.102 -13.172 -6.491 1.00 64.33 N ATOM 577 CA TYR A 38 0.199 -12.174 -7.080 1.00 72.14 C ATOM 578 C TYR A 38 -1.273 -12.609 -6.972 1.00 22.42 C ATOM 579 O TYR A 38 -2.123 -11.801 -6.613 1.00 63.15 O ATOM 580 CB TYR A 38 0.584 -11.910 -8.570 1.00 41.03 C ATOM 581 CG TYR A 38 -0.498 -11.178 -9.400 1.00 44.14 C ATOM 582 CD1 TYR A 38 -0.863 -9.860 -9.120 1.00 52.14 C ATOM 583 CD2 TYR A 38 -1.174 -11.823 -10.445 1.00 60.05 C ATOM 584 CE1 TYR A 38 -1.851 -9.224 -9.848 1.00 53.44 C ATOM 585 CE2 TYR A 38 -2.157 -11.179 -11.172 1.00 21.24 C ATOM 586 CZ TYR A 38 -2.490 -9.879 -10.863 1.00 12.04 C ATOM 587 OH TYR A 38 -3.456 -9.219 -11.582 1.00 52.45 O ATOM 0 H TYR A 38 1.844 -13.467 -7.125 1.00 64.33 H new ATOM 0 HA TYR A 38 0.310 -11.248 -6.516 1.00 72.14 H new ATOM 0 HB2 TYR A 38 1.501 -11.321 -8.595 1.00 41.03 H new ATOM 0 HB3 TYR A 38 0.805 -12.864 -9.048 1.00 41.03 H new ATOM 0 HD1 TYR A 38 -0.366 -9.329 -8.322 1.00 52.14 H new ATOM 0 HD2 TYR A 38 -0.921 -12.845 -10.687 1.00 60.05 H new ATOM 0 HE1 TYR A 38 -2.119 -8.204 -9.614 1.00 53.44 H new ATOM 0 HE2 TYR A 38 -2.661 -11.692 -11.978 1.00 21.24 H new ATOM 0 HH TYR A 38 -3.817 -9.816 -12.270 1.00 52.45 H new ATOM 597 N ASP A 39 -1.541 -13.890 -7.292 1.00 62.13 N ATOM 598 CA ASP A 39 -2.908 -14.453 -7.326 1.00 63.13 C ATOM 599 C ASP A 39 -3.537 -14.543 -5.916 1.00 40.21 C ATOM 600 O ASP A 39 -4.768 -14.461 -5.778 1.00 52.43 O ATOM 601 CB ASP A 39 -2.898 -15.831 -8.035 1.00 2.14 C ATOM 602 CG ASP A 39 -4.291 -16.491 -8.102 1.00 15.30 C ATOM 603 OD1 ASP A 39 -5.177 -15.958 -8.810 1.00 70.23 O ATOM 604 OD2 ASP A 39 -4.505 -17.539 -7.457 1.00 75.02 O ATOM 0 H ASP A 39 -0.816 -14.565 -7.535 1.00 62.13 H new ATOM 0 HA ASP A 39 -3.538 -13.772 -7.899 1.00 63.13 H new ATOM 0 HB2 ASP A 39 -2.512 -15.709 -9.047 1.00 2.14 H new ATOM 0 HB3 ASP A 39 -2.213 -16.497 -7.511 1.00 2.14 H new ATOM 609 N GLU A 40 -2.685 -14.677 -4.886 1.00 55.35 N ATOM 610 CA GLU A 40 -3.122 -14.662 -3.477 1.00 75.34 C ATOM 611 C GLU A 40 -3.620 -13.258 -3.093 1.00 14.21 C ATOM 612 O GLU A 40 -4.619 -13.117 -2.381 1.00 12.14 O ATOM 613 CB GLU A 40 -1.962 -15.085 -2.541 1.00 71.12 C ATOM 614 CG GLU A 40 -1.306 -16.439 -2.859 1.00 11.21 C ATOM 615 CD GLU A 40 -2.242 -17.647 -2.714 1.00 70.23 C ATOM 616 OE1 GLU A 40 -2.930 -18.005 -3.688 1.00 72.32 O ATOM 617 OE2 GLU A 40 -2.287 -18.252 -1.622 1.00 10.52 O ATOM 0 H GLU A 40 -1.679 -14.798 -5.004 1.00 55.35 H new ATOM 0 HA GLU A 40 -3.939 -15.375 -3.362 1.00 75.34 H new ATOM 0 HB2 GLU A 40 -1.193 -14.313 -2.575 1.00 71.12 H new ATOM 0 HB3 GLU A 40 -2.338 -15.116 -1.518 1.00 71.12 H new ATOM 0 HG2 GLU A 40 -0.922 -16.412 -3.879 1.00 11.21 H new ATOM 0 HG3 GLU A 40 -0.449 -16.578 -2.200 1.00 11.21 H new ATOM 624 N ALA A 41 -2.908 -12.220 -3.587 1.00 72.12 N ATOM 625 CA ALA A 41 -3.284 -10.818 -3.377 1.00 5.32 C ATOM 626 C ALA A 41 -4.500 -10.460 -4.262 1.00 4.40 C ATOM 627 O ALA A 41 -5.415 -9.738 -3.846 1.00 1.32 O ATOM 628 CB ALA A 41 -2.069 -9.929 -3.679 1.00 10.43 C ATOM 0 H ALA A 41 -2.059 -12.338 -4.140 1.00 72.12 H new ATOM 0 HA ALA A 41 -3.580 -10.653 -2.341 1.00 5.32 H new ATOM 0 HB1 ALA A 41 -2.336 -8.883 -3.526 1.00 10.43 H new ATOM 0 HB2 ALA A 41 -1.249 -10.195 -3.012 1.00 10.43 H new ATOM 0 HB3 ALA A 41 -1.758 -10.077 -4.713 1.00 10.43 H new ATOM 634 N HIS A 42 -4.519 -11.059 -5.462 1.00 15.44 N ATOM 635 CA HIS A 42 -5.559 -10.851 -6.481 1.00 33.03 C ATOM 636 C HIS A 42 -6.906 -11.398 -5.956 1.00 60.20 C ATOM 637 O HIS A 42 -7.974 -10.875 -6.283 1.00 0.51 O ATOM 638 CB HIS A 42 -5.115 -11.565 -7.800 1.00 24.22 C ATOM 639 CG HIS A 42 -5.866 -11.210 -9.054 1.00 44.13 C ATOM 640 ND1 HIS A 42 -5.410 -11.534 -10.315 1.00 32.35 N ATOM 641 CD2 HIS A 42 -7.022 -10.554 -9.251 1.00 55.22 C ATOM 642 CE1 HIS A 42 -6.253 -11.087 -11.221 1.00 1.01 C ATOM 643 NE2 HIS A 42 -7.239 -10.490 -10.605 1.00 55.42 N ATOM 0 H HIS A 42 -3.796 -11.716 -5.758 1.00 15.44 H new ATOM 0 HA HIS A 42 -5.692 -9.790 -6.692 1.00 33.03 H new ATOM 0 HB2 HIS A 42 -4.060 -11.348 -7.964 1.00 24.22 H new ATOM 0 HB3 HIS A 42 -5.199 -12.641 -7.648 1.00 24.22 H new ATOM 0 HD1 HIS A 42 -4.549 -12.043 -10.515 1.00 32.35 H new ATOM 0 HD2 HIS A 42 -7.665 -10.150 -8.483 1.00 55.22 H new ATOM 0 HE1 HIS A 42 -6.148 -11.195 -12.290 1.00 1.01 H new ATOM 652 N LYS A 43 -6.823 -12.454 -5.130 1.00 41.23 N ATOM 653 CA LYS A 43 -7.984 -13.109 -4.513 1.00 3.35 C ATOM 654 C LYS A 43 -8.425 -12.341 -3.252 1.00 52.11 C ATOM 655 O LYS A 43 -9.628 -12.188 -2.993 1.00 52.23 O ATOM 656 CB LYS A 43 -7.612 -14.574 -4.145 1.00 73.44 C ATOM 657 CG LYS A 43 -8.812 -15.541 -4.068 1.00 63.10 C ATOM 658 CD LYS A 43 -9.476 -15.802 -5.447 1.00 64.24 C ATOM 659 CE LYS A 43 -8.659 -16.748 -6.375 1.00 10.43 C ATOM 660 NZ LYS A 43 -7.321 -16.214 -6.770 1.00 4.22 N ATOM 0 H LYS A 43 -5.934 -12.881 -4.870 1.00 41.23 H new ATOM 0 HA LYS A 43 -8.813 -13.112 -5.221 1.00 3.35 H new ATOM 0 HB2 LYS A 43 -6.904 -14.952 -4.883 1.00 73.44 H new ATOM 0 HB3 LYS A 43 -7.100 -14.574 -3.183 1.00 73.44 H new ATOM 0 HG2 LYS A 43 -8.480 -16.490 -3.647 1.00 63.10 H new ATOM 0 HG3 LYS A 43 -9.557 -15.132 -3.385 1.00 63.10 H new ATOM 0 HD2 LYS A 43 -10.465 -16.232 -5.287 1.00 64.24 H new ATOM 0 HD3 LYS A 43 -9.621 -14.849 -5.955 1.00 64.24 H new ATOM 0 HE2 LYS A 43 -8.521 -17.704 -5.870 1.00 10.43 H new ATOM 0 HE3 LYS A 43 -9.240 -16.945 -7.276 1.00 10.43 H new ATOM 0 HZ1 LYS A 43 -7.057 -16.593 -7.702 1.00 4.22 H new ATOM 0 HZ2 LYS A 43 -7.362 -15.176 -6.818 1.00 4.22 H new ATOM 0 HZ3 LYS A 43 -6.611 -16.501 -6.066 1.00 4.22 H new ATOM 674 N ALA A 44 -7.417 -11.858 -2.491 1.00 74.54 N ATOM 675 CA ALA A 44 -7.603 -11.169 -1.197 1.00 21.42 C ATOM 676 C ALA A 44 -8.498 -9.929 -1.312 1.00 41.22 C ATOM 677 O ALA A 44 -9.200 -9.593 -0.361 1.00 24.10 O ATOM 678 CB ALA A 44 -6.249 -10.778 -0.605 1.00 51.11 C ATOM 0 H ALA A 44 -6.437 -11.938 -2.764 1.00 74.54 H new ATOM 0 HA ALA A 44 -8.107 -11.873 -0.534 1.00 21.42 H new ATOM 0 HB1 ALA A 44 -6.401 -10.271 0.348 1.00 51.11 H new ATOM 0 HB2 ALA A 44 -5.648 -11.674 -0.448 1.00 51.11 H new ATOM 0 HB3 ALA A 44 -5.731 -10.110 -1.293 1.00 51.11 H new ATOM 684 N TRP A 45 -8.451 -9.271 -2.484 1.00 42.34 N ATOM 685 CA TRP A 45 -9.307 -8.119 -2.827 1.00 40.23 C ATOM 686 C TRP A 45 -10.807 -8.442 -2.557 1.00 13.44 C ATOM 687 O TRP A 45 -11.492 -7.693 -1.848 1.00 11.41 O ATOM 688 CB TRP A 45 -9.026 -7.714 -4.324 1.00 72.43 C ATOM 689 CG TRP A 45 -10.242 -7.358 -5.156 1.00 5.31 C ATOM 690 CD1 TRP A 45 -10.855 -6.142 -5.271 1.00 42.20 C ATOM 691 CD2 TRP A 45 -10.996 -8.263 -5.981 1.00 12.43 C ATOM 692 NE1 TRP A 45 -11.930 -6.243 -6.115 1.00 73.51 N ATOM 693 CE2 TRP A 45 -12.039 -7.526 -6.562 1.00 72.21 C ATOM 694 CE3 TRP A 45 -10.878 -9.631 -6.288 1.00 13.01 C ATOM 695 CZ2 TRP A 45 -12.965 -8.103 -7.428 1.00 40.05 C ATOM 696 CZ3 TRP A 45 -11.790 -10.196 -7.147 1.00 12.43 C ATOM 697 CH2 TRP A 45 -12.823 -9.441 -7.700 1.00 73.53 C ATOM 0 H TRP A 45 -7.807 -9.528 -3.232 1.00 42.34 H new ATOM 0 HA TRP A 45 -9.068 -7.266 -2.192 1.00 40.23 H new ATOM 0 HB2 TRP A 45 -8.346 -6.862 -4.327 1.00 72.43 H new ATOM 0 HB3 TRP A 45 -8.506 -8.539 -4.811 1.00 72.43 H new ATOM 0 HD1 TRP A 45 -10.540 -5.238 -4.772 1.00 42.20 H new ATOM 0 HE1 TRP A 45 -12.553 -5.476 -6.369 1.00 73.51 H new ATOM 0 HE3 TRP A 45 -10.086 -10.226 -5.857 1.00 13.01 H new ATOM 0 HZ2 TRP A 45 -13.762 -7.522 -7.867 1.00 40.05 H new ATOM 0 HZ3 TRP A 45 -11.705 -11.243 -7.398 1.00 12.43 H new ATOM 0 HH2 TRP A 45 -13.530 -9.921 -8.360 1.00 73.53 H new ATOM 708 N LYS A 46 -11.289 -9.575 -3.113 1.00 42.33 N ATOM 709 CA LYS A 46 -12.705 -10.012 -2.961 1.00 11.40 C ATOM 710 C LYS A 46 -12.941 -10.625 -1.580 1.00 24.43 C ATOM 711 O LYS A 46 -14.025 -10.469 -1.009 1.00 54.21 O ATOM 712 CB LYS A 46 -13.086 -11.013 -4.082 1.00 34.41 C ATOM 713 CG LYS A 46 -14.465 -11.698 -3.945 1.00 51.41 C ATOM 714 CD LYS A 46 -14.720 -12.794 -5.009 1.00 62.31 C ATOM 715 CE LYS A 46 -14.870 -12.237 -6.431 1.00 71.21 C ATOM 716 NZ LYS A 46 -15.068 -13.320 -7.435 1.00 11.11 N ATOM 0 H LYS A 46 -10.720 -10.209 -3.674 1.00 42.33 H new ATOM 0 HA LYS A 46 -13.346 -9.135 -3.052 1.00 11.40 H new ATOM 0 HB2 LYS A 46 -13.058 -10.486 -5.036 1.00 34.41 H new ATOM 0 HB3 LYS A 46 -12.321 -11.788 -4.124 1.00 34.41 H new ATOM 0 HG2 LYS A 46 -14.544 -12.141 -2.952 1.00 51.41 H new ATOM 0 HG3 LYS A 46 -15.246 -10.942 -4.020 1.00 51.41 H new ATOM 0 HD2 LYS A 46 -13.896 -13.507 -4.991 1.00 62.31 H new ATOM 0 HD3 LYS A 46 -15.623 -13.344 -4.745 1.00 62.31 H new ATOM 0 HE2 LYS A 46 -15.717 -11.552 -6.465 1.00 71.21 H new ATOM 0 HE3 LYS A 46 -13.982 -11.660 -6.690 1.00 71.21 H new ATOM 0 HZ1 LYS A 46 -15.165 -12.902 -8.382 1.00 11.11 H new ATOM 0 HZ2 LYS A 46 -14.248 -13.960 -7.421 1.00 11.11 H new ATOM 0 HZ3 LYS A 46 -15.929 -13.855 -7.203 1.00 11.11 H new ATOM 730 N ALA A 47 -11.912 -11.300 -1.044 1.00 22.44 N ATOM 731 CA ALA A 47 -11.955 -11.894 0.304 1.00 73.51 C ATOM 732 C ALA A 47 -12.229 -10.812 1.366 1.00 63.33 C ATOM 733 O ALA A 47 -12.898 -11.062 2.369 1.00 61.21 O ATOM 734 CB ALA A 47 -10.641 -12.634 0.597 1.00 50.53 C ATOM 0 H ALA A 47 -11.028 -11.450 -1.531 1.00 22.44 H new ATOM 0 HA ALA A 47 -12.772 -12.615 0.344 1.00 73.51 H new ATOM 0 HB1 ALA A 47 -10.683 -13.069 1.595 1.00 50.53 H new ATOM 0 HB2 ALA A 47 -10.498 -13.426 -0.138 1.00 50.53 H new ATOM 0 HB3 ALA A 47 -9.808 -11.933 0.542 1.00 50.53 H new ATOM 740 N LYS A 48 -11.723 -9.604 1.094 1.00 60.40 N ATOM 741 CA LYS A 48 -11.930 -8.420 1.927 1.00 13.21 C ATOM 742 C LYS A 48 -13.270 -7.747 1.612 1.00 70.13 C ATOM 743 O LYS A 48 -14.003 -7.394 2.524 1.00 32.45 O ATOM 744 CB LYS A 48 -10.763 -7.433 1.703 1.00 71.53 C ATOM 745 CG LYS A 48 -9.411 -7.922 2.251 1.00 62.41 C ATOM 746 CD LYS A 48 -9.417 -8.123 3.776 1.00 40.53 C ATOM 747 CE LYS A 48 -9.774 -6.839 4.526 1.00 25.33 C ATOM 748 NZ LYS A 48 -9.698 -7.020 5.990 1.00 13.50 N ATOM 0 H LYS A 48 -11.147 -9.421 0.272 1.00 60.40 H new ATOM 0 HA LYS A 48 -11.956 -8.725 2.973 1.00 13.21 H new ATOM 0 HB2 LYS A 48 -10.662 -7.243 0.634 1.00 71.53 H new ATOM 0 HB3 LYS A 48 -11.011 -6.482 2.174 1.00 71.53 H new ATOM 0 HG2 LYS A 48 -9.148 -8.863 1.767 1.00 62.41 H new ATOM 0 HG3 LYS A 48 -8.637 -7.201 1.988 1.00 62.41 H new ATOM 0 HD2 LYS A 48 -10.132 -8.904 4.035 1.00 40.53 H new ATOM 0 HD3 LYS A 48 -8.435 -8.470 4.099 1.00 40.53 H new ATOM 0 HE2 LYS A 48 -9.097 -6.041 4.223 1.00 25.33 H new ATOM 0 HE3 LYS A 48 -10.781 -6.525 4.250 1.00 25.33 H new ATOM 0 HZ1 LYS A 48 -9.144 -6.245 6.407 1.00 13.50 H new ATOM 0 HZ2 LYS A 48 -10.658 -7.015 6.391 1.00 13.50 H new ATOM 0 HZ3 LYS A 48 -9.239 -7.928 6.204 1.00 13.50 H new ATOM 762 N ALA A 49 -13.561 -7.578 0.312 1.00 54.10 N ATOM 763 CA ALA A 49 -14.772 -6.880 -0.172 1.00 3.23 C ATOM 764 C ALA A 49 -16.070 -7.528 0.369 1.00 21.12 C ATOM 765 O ALA A 49 -17.003 -6.830 0.792 1.00 1.42 O ATOM 766 CB ALA A 49 -14.775 -6.850 -1.706 1.00 33.42 C ATOM 0 H ALA A 49 -12.963 -7.922 -0.439 1.00 54.10 H new ATOM 0 HA ALA A 49 -14.747 -5.858 0.207 1.00 3.23 H new ATOM 0 HB1 ALA A 49 -15.669 -6.335 -2.058 1.00 33.42 H new ATOM 0 HB2 ALA A 49 -13.889 -6.324 -2.061 1.00 33.42 H new ATOM 0 HB3 ALA A 49 -14.769 -7.870 -2.090 1.00 33.42 H new ATOM 772 N GLN A 50 -16.088 -8.870 0.363 1.00 74.10 N ATOM 773 CA GLN A 50 -17.201 -9.682 0.889 1.00 63.22 C ATOM 774 C GLN A 50 -17.223 -9.649 2.430 1.00 25.32 C ATOM 775 O GLN A 50 -18.299 -9.597 3.041 1.00 31.22 O ATOM 776 CB GLN A 50 -17.061 -11.147 0.399 1.00 21.20 C ATOM 777 CG GLN A 50 -17.166 -11.337 -1.131 1.00 33.14 C ATOM 778 CD GLN A 50 -16.843 -12.769 -1.600 1.00 74.12 C ATOM 779 OE1 GLN A 50 -15.886 -13.433 -0.953 1.00 61.12 O flip ATOM 780 NE2 GLN A 50 -17.411 -13.256 -2.576 1.00 41.43 N flip ATOM 0 H GLN A 50 -15.322 -9.430 -0.011 1.00 74.10 H new ATOM 0 HA GLN A 50 -18.137 -9.262 0.520 1.00 63.22 H new ATOM 0 HB2 GLN A 50 -16.099 -11.536 0.733 1.00 21.20 H new ATOM 0 HB3 GLN A 50 -17.832 -11.750 0.879 1.00 21.20 H new ATOM 0 HG2 GLN A 50 -18.175 -11.078 -1.452 1.00 33.14 H new ATOM 0 HG3 GLN A 50 -16.486 -10.641 -1.622 1.00 33.14 H new ATOM 0 HE21 GLN A 50 -18.141 -12.730 -3.056 1.00 41.43 H new ATOM 0 HE22 GLN A 50 -17.152 -14.186 -2.905 1.00 41.43 H new ATOM 789 N ALA A 51 -16.027 -9.686 3.044 1.00 41.23 N ATOM 790 CA ALA A 51 -15.875 -9.698 4.514 1.00 23.30 C ATOM 791 C ALA A 51 -16.372 -8.387 5.144 1.00 13.11 C ATOM 792 O ALA A 51 -16.998 -8.391 6.211 1.00 35.43 O ATOM 793 CB ALA A 51 -14.405 -9.946 4.900 1.00 10.53 C ATOM 0 H ALA A 51 -15.141 -9.708 2.540 1.00 41.23 H new ATOM 0 HA ALA A 51 -16.489 -10.511 4.902 1.00 23.30 H new ATOM 0 HB1 ALA A 51 -14.310 -9.952 5.986 1.00 10.53 H new ATOM 0 HB2 ALA A 51 -14.082 -10.908 4.502 1.00 10.53 H new ATOM 0 HB3 ALA A 51 -13.781 -9.154 4.486 1.00 10.53 H new ATOM 799 N THR A 52 -16.101 -7.264 4.462 1.00 12.31 N ATOM 800 CA THR A 52 -16.329 -5.916 5.008 1.00 65.13 C ATOM 801 C THR A 52 -17.616 -5.292 4.457 1.00 34.41 C ATOM 802 O THR A 52 -17.748 -4.069 4.367 1.00 44.11 O ATOM 803 CB THR A 52 -15.087 -5.017 4.735 1.00 3.13 C ATOM 804 OG1 THR A 52 -14.893 -4.872 3.316 1.00 41.23 O ATOM 805 CG2 THR A 52 -13.813 -5.612 5.377 1.00 52.40 C ATOM 0 H THR A 52 -15.718 -7.264 3.517 1.00 12.31 H new ATOM 0 HA THR A 52 -16.463 -5.998 6.087 1.00 65.13 H new ATOM 0 HB THR A 52 -15.270 -4.040 5.183 1.00 3.13 H new ATOM 0 HG1 THR A 52 -14.574 -5.720 2.941 1.00 41.23 H new ATOM 0 HG21 THR A 52 -12.963 -4.962 5.169 1.00 52.40 H new ATOM 0 HG22 THR A 52 -13.953 -5.693 6.455 1.00 52.40 H new ATOM 0 HG23 THR A 52 -13.624 -6.601 4.960 1.00 52.40 H new ATOM 813 N VAL A 53 -18.578 -6.167 4.139 1.00 70.42 N ATOM 814 CA VAL A 53 -19.990 -5.789 3.930 1.00 44.21 C ATOM 815 C VAL A 53 -20.607 -5.411 5.301 1.00 4.43 C ATOM 816 O VAL A 53 -21.546 -4.615 5.382 1.00 32.23 O ATOM 817 CB VAL A 53 -20.788 -6.964 3.241 1.00 21.11 C ATOM 818 CG1 VAL A 53 -22.302 -6.661 3.112 1.00 53.13 C ATOM 819 CG2 VAL A 53 -20.175 -7.287 1.858 1.00 13.34 C ATOM 0 H VAL A 53 -18.402 -7.164 4.018 1.00 70.42 H new ATOM 0 HA VAL A 53 -20.050 -4.931 3.261 1.00 44.21 H new ATOM 0 HB VAL A 53 -20.698 -7.837 3.887 1.00 21.11 H new ATOM 0 HG11 VAL A 53 -22.802 -7.502 2.632 1.00 53.13 H new ATOM 0 HG12 VAL A 53 -22.727 -6.504 4.103 1.00 53.13 H new ATOM 0 HG13 VAL A 53 -22.443 -5.763 2.510 1.00 53.13 H new ATOM 0 HG21 VAL A 53 -20.734 -8.099 1.393 1.00 13.34 H new ATOM 0 HG22 VAL A 53 -20.224 -6.402 1.223 1.00 13.34 H new ATOM 0 HG23 VAL A 53 -19.135 -7.588 1.982 1.00 13.34 H new ATOM 829 N ASP A 54 -20.029 -5.998 6.368 1.00 51.32 N ATOM 830 CA ASP A 54 -20.302 -5.629 7.772 1.00 14.25 C ATOM 831 C ASP A 54 -19.955 -4.150 8.023 1.00 33.23 C ATOM 832 O ASP A 54 -20.709 -3.430 8.678 1.00 64.14 O ATOM 833 CB ASP A 54 -19.454 -6.532 8.710 1.00 4.01 C ATOM 834 CG ASP A 54 -19.625 -6.217 10.212 1.00 54.43 C ATOM 835 OD1 ASP A 54 -20.688 -6.552 10.779 1.00 50.24 O ATOM 836 OD2 ASP A 54 -18.693 -5.649 10.833 1.00 42.32 O ATOM 0 H ASP A 54 -19.349 -6.753 6.277 1.00 51.32 H new ATOM 0 HA ASP A 54 -21.363 -5.773 7.976 1.00 14.25 H new ATOM 0 HB2 ASP A 54 -19.724 -7.574 8.535 1.00 4.01 H new ATOM 0 HB3 ASP A 54 -18.402 -6.426 8.445 1.00 4.01 H new ATOM 841 N ASN A 55 -18.799 -3.720 7.488 1.00 42.34 N ATOM 842 CA ASN A 55 -18.278 -2.365 7.671 1.00 14.01 C ATOM 843 C ASN A 55 -18.859 -1.413 6.590 1.00 3.12 C ATOM 844 O ASN A 55 -19.248 -1.855 5.503 1.00 74.15 O ATOM 845 CB ASN A 55 -16.726 -2.404 7.619 1.00 23.43 C ATOM 846 CG ASN A 55 -16.088 -1.121 8.138 1.00 34.41 C ATOM 847 OD1 ASN A 55 -16.009 -0.117 7.295 1.00 3.23 O flip ATOM 848 ND2 ASN A 55 -15.716 -1.017 9.310 1.00 34.12 N flip ATOM 0 H ASN A 55 -18.200 -4.312 6.913 1.00 42.34 H new ATOM 0 HA ASN A 55 -18.584 -1.980 8.644 1.00 14.01 H new ATOM 0 HB2 ASN A 55 -16.368 -3.248 8.209 1.00 23.43 H new ATOM 0 HB3 ASN A 55 -16.405 -2.575 6.591 1.00 23.43 H new ATOM 0 HD21 ASN A 55 -15.790 -1.815 9.941 1.00 34.12 H new ATOM 0 HD22 ASN A 55 -15.335 -0.133 9.647 1.00 34.12 H new ATOM 855 N ALA A 56 -18.923 -0.109 6.914 1.00 50.51 N ATOM 856 CA ALA A 56 -19.461 0.936 6.018 1.00 61.15 C ATOM 857 C ALA A 56 -18.382 1.479 5.055 1.00 62.05 C ATOM 858 O ALA A 56 -17.297 1.880 5.503 1.00 54.54 O ATOM 859 CB ALA A 56 -20.048 2.085 6.860 1.00 2.42 C ATOM 0 H ALA A 56 -18.601 0.254 7.811 1.00 50.51 H new ATOM 0 HA ALA A 56 -20.245 0.487 5.409 1.00 61.15 H new ATOM 0 HB1 ALA A 56 -20.444 2.855 6.198 1.00 2.42 H new ATOM 0 HB2 ALA A 56 -20.849 1.701 7.491 1.00 2.42 H new ATOM 0 HB3 ALA A 56 -19.266 2.513 7.487 1.00 2.42 H new ATOM 865 N HIS A 57 -18.698 1.449 3.731 1.00 20.42 N ATOM 866 CA HIS A 57 -17.917 2.111 2.649 1.00 61.11 C ATOM 867 C HIS A 57 -16.504 1.519 2.453 1.00 32.45 C ATOM 868 O HIS A 57 -15.688 2.088 1.715 1.00 23.14 O ATOM 869 CB HIS A 57 -17.828 3.643 2.892 1.00 21.13 C ATOM 870 CG HIS A 57 -19.154 4.370 2.908 1.00 65.13 C ATOM 871 ND1 HIS A 57 -20.158 4.418 1.996 1.00 75.12 N flip ATOM 872 CD2 HIS A 57 -19.554 5.192 3.944 1.00 40.12 C flip ATOM 873 CE1 HIS A 57 -21.124 5.254 2.496 1.00 52.40 C flip ATOM 874 NE2 HIS A 57 -20.739 5.706 3.669 1.00 10.33 N flip ATOM 0 H HIS A 57 -19.518 0.955 3.380 1.00 20.42 H new ATOM 0 HA HIS A 57 -18.464 1.918 1.726 1.00 61.11 H new ATOM 0 HB2 HIS A 57 -17.326 3.815 3.844 1.00 21.13 H new ATOM 0 HB3 HIS A 57 -17.200 4.082 2.116 1.00 21.13 H new ATOM 0 HD2 HIS A 57 -18.985 5.385 4.841 1.00 40.12 H new ATOM 0 HE1 HIS A 57 -22.053 5.502 2.004 1.00 52.40 H new ATOM 0 HE2 HIS A 57 -21.266 6.345 4.265 1.00 10.33 H new ATOM 883 N ALA A 58 -16.248 0.360 3.064 1.00 54.15 N ATOM 884 CA ALA A 58 -14.912 -0.240 3.111 1.00 35.41 C ATOM 885 C ALA A 58 -14.618 -1.025 1.826 1.00 25.41 C ATOM 886 O ALA A 58 -15.019 -2.184 1.675 1.00 71.43 O ATOM 887 CB ALA A 58 -14.746 -1.122 4.352 1.00 33.21 C ATOM 0 H ALA A 58 -16.962 -0.190 3.541 1.00 54.15 H new ATOM 0 HA ALA A 58 -14.183 0.568 3.182 1.00 35.41 H new ATOM 0 HB1 ALA A 58 -13.745 -1.554 4.360 1.00 33.21 H new ATOM 0 HB2 ALA A 58 -14.888 -0.519 5.249 1.00 33.21 H new ATOM 0 HB3 ALA A 58 -15.486 -1.922 4.332 1.00 33.21 H new ATOM 893 N ARG A 59 -13.918 -0.363 0.902 1.00 63.43 N ATOM 894 CA ARG A 59 -13.525 -0.917 -0.396 1.00 34.45 C ATOM 895 C ARG A 59 -12.025 -1.218 -0.383 1.00 10.14 C ATOM 896 O ARG A 59 -11.213 -0.338 -0.069 1.00 31.23 O ATOM 897 CB ARG A 59 -13.853 0.095 -1.512 1.00 73.32 C ATOM 898 CG ARG A 59 -15.337 0.213 -1.884 1.00 14.42 C ATOM 899 CD ARG A 59 -15.875 -1.085 -2.503 1.00 53.43 C ATOM 900 NE ARG A 59 -17.183 -0.885 -3.141 1.00 61.41 N ATOM 901 CZ ARG A 59 -18.295 -1.580 -2.894 1.00 65.23 C ATOM 902 NH1 ARG A 59 -18.305 -2.565 -2.003 1.00 64.44 N ATOM 903 NH2 ARG A 59 -19.392 -1.290 -3.573 1.00 52.14 N ATOM 0 H ARG A 59 -13.601 0.597 1.039 1.00 63.43 H new ATOM 0 HA ARG A 59 -14.075 -1.839 -0.584 1.00 34.45 H new ATOM 0 HB2 ARG A 59 -13.495 1.077 -1.204 1.00 73.32 H new ATOM 0 HB3 ARG A 59 -13.294 -0.182 -2.405 1.00 73.32 H new ATOM 0 HG2 ARG A 59 -15.916 0.459 -0.994 1.00 14.42 H new ATOM 0 HG3 ARG A 59 -15.471 1.034 -2.588 1.00 14.42 H new ATOM 0 HD2 ARG A 59 -15.164 -1.458 -3.241 1.00 53.43 H new ATOM 0 HD3 ARG A 59 -15.961 -1.848 -1.729 1.00 53.43 H new ATOM 0 HE ARG A 59 -17.247 -0.144 -3.839 1.00 61.41 H new ATOM 0 HH11 ARG A 59 -17.453 -2.801 -1.494 1.00 64.44 H new ATOM 0 HH12 ARG A 59 -19.165 -3.085 -1.828 1.00 64.44 H new ATOM 0 HH21 ARG A 59 -19.378 -0.546 -4.271 1.00 52.14 H new ATOM 0 HH22 ARG A 59 -20.252 -1.810 -3.399 1.00 52.14 H new ATOM 917 N TYR A 60 -11.671 -2.464 -0.723 1.00 34.23 N ATOM 918 CA TYR A 60 -10.283 -2.947 -0.721 1.00 4.30 C ATOM 919 C TYR A 60 -9.863 -3.330 -2.139 1.00 4.22 C ATOM 920 O TYR A 60 -10.418 -4.258 -2.730 1.00 23.03 O ATOM 921 CB TYR A 60 -10.139 -4.137 0.254 1.00 3.10 C ATOM 922 CG TYR A 60 -10.458 -3.775 1.711 1.00 72.30 C ATOM 923 CD1 TYR A 60 -11.773 -3.687 2.152 1.00 41.32 C ATOM 924 CD2 TYR A 60 -9.451 -3.506 2.642 1.00 64.01 C ATOM 925 CE1 TYR A 60 -12.063 -3.360 3.452 1.00 54.52 C ATOM 926 CE2 TYR A 60 -9.746 -3.180 3.946 1.00 32.33 C ATOM 927 CZ TYR A 60 -11.057 -3.108 4.344 1.00 24.11 C ATOM 928 OH TYR A 60 -11.365 -2.793 5.647 1.00 3.12 O ATOM 0 H TYR A 60 -12.346 -3.172 -1.010 1.00 34.23 H new ATOM 0 HA TYR A 60 -9.621 -2.152 -0.378 1.00 4.30 H new ATOM 0 HB2 TYR A 60 -10.802 -4.941 -0.066 1.00 3.10 H new ATOM 0 HB3 TYR A 60 -9.121 -4.522 0.198 1.00 3.10 H new ATOM 0 HD1 TYR A 60 -12.579 -3.879 1.460 1.00 41.32 H new ATOM 0 HD2 TYR A 60 -8.418 -3.555 2.331 1.00 64.01 H new ATOM 0 HE1 TYR A 60 -13.092 -3.301 3.774 1.00 54.52 H new ATOM 0 HE2 TYR A 60 -8.952 -2.982 4.651 1.00 32.33 H new ATOM 0 HH TYR A 60 -10.562 -2.878 6.203 1.00 3.12 H new ATOM 938 N PHE A 61 -8.888 -2.584 -2.662 1.00 70.35 N ATOM 939 CA PHE A 61 -8.373 -2.715 -4.029 1.00 14.35 C ATOM 940 C PHE A 61 -6.960 -3.329 -4.014 1.00 1.45 C ATOM 941 O PHE A 61 -6.554 -3.962 -3.023 1.00 71.34 O ATOM 942 CB PHE A 61 -8.338 -1.316 -4.678 1.00 34.30 C ATOM 943 CG PHE A 61 -9.693 -0.648 -4.868 1.00 5.03 C ATOM 944 CD1 PHE A 61 -10.268 0.119 -3.853 1.00 61.42 C ATOM 945 CD2 PHE A 61 -10.373 -0.752 -6.079 1.00 51.41 C ATOM 946 CE1 PHE A 61 -11.480 0.748 -4.045 1.00 0.34 C ATOM 947 CE2 PHE A 61 -11.583 -0.122 -6.269 1.00 3.13 C ATOM 948 CZ PHE A 61 -12.135 0.631 -5.252 1.00 12.33 C ATOM 0 H PHE A 61 -8.420 -1.850 -2.131 1.00 70.35 H new ATOM 0 HA PHE A 61 -9.023 -3.375 -4.604 1.00 14.35 H new ATOM 0 HB2 PHE A 61 -7.714 -0.666 -4.065 1.00 34.30 H new ATOM 0 HB3 PHE A 61 -7.853 -1.398 -5.651 1.00 34.30 H new ATOM 0 HD1 PHE A 61 -9.758 0.221 -2.907 1.00 61.42 H new ATOM 0 HD2 PHE A 61 -9.945 -1.335 -6.881 1.00 51.41 H new ATOM 0 HE1 PHE A 61 -11.916 1.333 -3.249 1.00 0.34 H new ATOM 0 HE2 PHE A 61 -12.099 -0.217 -7.213 1.00 3.13 H new ATOM 0 HZ PHE A 61 -13.081 1.129 -5.402 1.00 12.33 H new ATOM 958 N ILE A 62 -6.213 -3.148 -5.132 1.00 41.44 N ATOM 959 CA ILE A 62 -4.851 -3.692 -5.298 1.00 31.31 C ATOM 960 C ILE A 62 -4.006 -2.617 -6.003 1.00 62.32 C ATOM 961 O ILE A 62 -4.544 -1.856 -6.809 1.00 40.42 O ATOM 962 CB ILE A 62 -4.835 -5.017 -6.177 1.00 23.34 C ATOM 963 CG1 ILE A 62 -6.022 -5.975 -5.838 1.00 24.34 C ATOM 964 CG2 ILE A 62 -3.499 -5.766 -6.002 1.00 5.14 C ATOM 965 CD1 ILE A 62 -6.130 -7.185 -6.746 1.00 4.12 C ATOM 0 H ILE A 62 -6.542 -2.620 -5.941 1.00 41.44 H new ATOM 0 HA ILE A 62 -4.454 -3.948 -4.316 1.00 31.31 H new ATOM 0 HB ILE A 62 -4.949 -4.705 -7.215 1.00 23.34 H new ATOM 0 HG12 ILE A 62 -5.914 -6.317 -4.809 1.00 24.34 H new ATOM 0 HG13 ILE A 62 -6.954 -5.412 -5.891 1.00 24.34 H new ATOM 0 HG21 ILE A 62 -3.506 -6.670 -6.611 1.00 5.14 H new ATOM 0 HG22 ILE A 62 -2.677 -5.123 -6.317 1.00 5.14 H new ATOM 0 HG23 ILE A 62 -3.367 -6.035 -4.954 1.00 5.14 H new ATOM 0 HD11 ILE A 62 -6.980 -7.795 -6.440 1.00 4.12 H new ATOM 0 HD12 ILE A 62 -6.272 -6.856 -7.775 1.00 4.12 H new ATOM 0 HD13 ILE A 62 -5.216 -7.775 -6.676 1.00 4.12 H new ATOM 977 N ILE A 63 -2.703 -2.522 -5.687 1.00 14.22 N ATOM 978 CA ILE A 63 -1.765 -1.638 -6.408 1.00 41.21 C ATOM 979 C ILE A 63 -0.491 -2.418 -6.747 1.00 74.22 C ATOM 980 O ILE A 63 -0.039 -3.264 -5.973 1.00 21.54 O ATOM 981 CB ILE A 63 -1.352 -0.353 -5.585 1.00 0.33 C ATOM 982 CG1 ILE A 63 -2.599 0.422 -5.083 1.00 14.24 C ATOM 983 CG2 ILE A 63 -0.449 0.587 -6.438 1.00 51.23 C ATOM 984 CD1 ILE A 63 -2.286 1.648 -4.243 1.00 63.42 C ATOM 0 H ILE A 63 -2.270 -3.051 -4.930 1.00 14.22 H new ATOM 0 HA ILE A 63 -2.286 -1.302 -7.305 1.00 41.21 H new ATOM 0 HB ILE A 63 -0.786 -0.691 -4.717 1.00 0.33 H new ATOM 0 HG12 ILE A 63 -3.190 0.730 -5.945 1.00 14.24 H new ATOM 0 HG13 ILE A 63 -3.220 -0.255 -4.496 1.00 14.24 H new ATOM 0 HG21 ILE A 63 -0.178 1.464 -5.850 1.00 51.23 H new ATOM 0 HG22 ILE A 63 0.455 0.054 -6.732 1.00 51.23 H new ATOM 0 HG23 ILE A 63 -0.991 0.902 -7.330 1.00 51.23 H new ATOM 0 HD11 ILE A 63 -3.216 2.126 -3.936 1.00 63.42 H new ATOM 0 HD12 ILE A 63 -1.723 1.349 -3.359 1.00 63.42 H new ATOM 0 HD13 ILE A 63 -1.694 2.350 -4.830 1.00 63.42 H new ATOM 996 N HIS A 64 0.073 -2.112 -7.916 1.00 44.24 N ATOM 997 CA HIS A 64 1.384 -2.605 -8.333 1.00 31.31 C ATOM 998 C HIS A 64 2.482 -1.916 -7.501 1.00 30.34 C ATOM 999 O HIS A 64 2.608 -0.683 -7.511 1.00 50.02 O ATOM 1000 CB HIS A 64 1.593 -2.380 -9.853 1.00 12.13 C ATOM 1001 CG HIS A 64 1.537 -0.939 -10.310 1.00 34.31 C ATOM 1002 ND1 HIS A 64 0.526 -0.031 -10.297 1.00 21.40 N flip ATOM 1003 CD2 HIS A 64 2.601 -0.298 -10.903 1.00 65.05 C flip ATOM 1004 CE1 HIS A 64 1.004 1.124 -10.860 1.00 35.24 C flip ATOM 1005 NE2 HIS A 64 2.259 0.936 -11.206 1.00 3.55 N flip ATOM 0 H HIS A 64 -0.373 -1.508 -8.607 1.00 44.24 H new ATOM 0 HA HIS A 64 1.441 -3.679 -8.154 1.00 31.31 H new ATOM 0 HB2 HIS A 64 2.561 -2.795 -10.135 1.00 12.13 H new ATOM 0 HB3 HIS A 64 0.834 -2.945 -10.394 1.00 12.13 H new ATOM 0 HD2 HIS A 64 3.568 -0.740 -11.091 1.00 65.05 H new ATOM 0 HE1 HIS A 64 0.443 2.037 -10.997 1.00 35.24 H new ATOM 0 HE2 HIS A 64 2.867 1.632 -11.638 1.00 3.55 H new ATOM 1014 N ALA A 65 3.247 -2.720 -6.762 1.00 60.21 N ATOM 1015 CA ALA A 65 4.305 -2.226 -5.856 1.00 45.40 C ATOM 1016 C ALA A 65 5.677 -2.215 -6.545 1.00 32.21 C ATOM 1017 O ALA A 65 6.716 -2.114 -5.883 1.00 31.20 O ATOM 1018 CB ALA A 65 4.321 -3.101 -4.603 1.00 42.33 C ATOM 0 H ALA A 65 3.157 -3.736 -6.769 1.00 60.21 H new ATOM 0 HA ALA A 65 4.089 -1.194 -5.578 1.00 45.40 H new ATOM 0 HB1 ALA A 65 5.097 -2.749 -3.923 1.00 42.33 H new ATOM 0 HB2 ALA A 65 3.352 -3.044 -4.107 1.00 42.33 H new ATOM 0 HB3 ALA A 65 4.525 -4.134 -4.883 1.00 42.33 H new ATOM 1024 N HIS A 66 5.667 -2.333 -7.884 1.00 50.41 N ATOM 1025 CA HIS A 66 6.884 -2.360 -8.704 1.00 64.54 C ATOM 1026 C HIS A 66 7.351 -0.929 -8.984 1.00 72.21 C ATOM 1027 O HIS A 66 8.551 -0.643 -8.949 1.00 22.30 O ATOM 1028 CB HIS A 66 6.617 -3.138 -10.016 1.00 71.33 C ATOM 1029 CG HIS A 66 7.864 -3.609 -10.693 1.00 40.35 C ATOM 1030 ND1 HIS A 66 8.564 -2.847 -11.593 1.00 1.11 N ATOM 1031 CD2 HIS A 66 8.559 -4.763 -10.560 1.00 64.31 C ATOM 1032 CE1 HIS A 66 9.637 -3.501 -11.972 1.00 23.23 C ATOM 1033 NE2 HIS A 66 9.658 -4.666 -11.366 1.00 32.34 N ATOM 0 H HIS A 66 4.808 -2.413 -8.428 1.00 50.41 H new ATOM 0 HA HIS A 66 7.680 -2.875 -8.165 1.00 64.54 H new ATOM 0 HB2 HIS A 66 5.985 -3.998 -9.797 1.00 71.33 H new ATOM 0 HB3 HIS A 66 6.060 -2.499 -10.701 1.00 71.33 H new ATOM 0 HD2 HIS A 66 8.294 -5.603 -9.934 1.00 64.31 H new ATOM 0 HE1 HIS A 66 10.380 -3.140 -12.668 1.00 23.23 H new ATOM 0 HE2 HIS A 66 10.377 -5.381 -11.479 1.00 32.34 H new ATOM 1042 N LYS A 67 6.384 -0.039 -9.268 1.00 52.42 N ATOM 1043 CA LYS A 67 6.652 1.388 -9.454 1.00 25.34 C ATOM 1044 C LYS A 67 6.477 2.111 -8.112 1.00 41.31 C ATOM 1045 O LYS A 67 5.349 2.272 -7.621 1.00 54.03 O ATOM 1046 CB LYS A 67 5.729 1.995 -10.539 1.00 33.01 C ATOM 1047 CG LYS A 67 6.072 3.457 -10.901 1.00 54.41 C ATOM 1048 CD LYS A 67 5.259 3.990 -12.098 1.00 21.02 C ATOM 1049 CE LYS A 67 5.699 5.402 -12.508 1.00 40.25 C ATOM 1050 NZ LYS A 67 7.121 5.445 -12.952 1.00 52.21 N ATOM 0 H LYS A 67 5.402 -0.292 -9.374 1.00 52.42 H new ATOM 0 HA LYS A 67 7.678 1.516 -9.800 1.00 25.34 H new ATOM 0 HB2 LYS A 67 5.791 1.383 -11.439 1.00 33.01 H new ATOM 0 HB3 LYS A 67 4.697 1.949 -10.192 1.00 33.01 H new ATOM 0 HG2 LYS A 67 5.890 4.092 -10.034 1.00 54.41 H new ATOM 0 HG3 LYS A 67 7.135 3.528 -11.131 1.00 54.41 H new ATOM 0 HD2 LYS A 67 5.375 3.314 -12.945 1.00 21.02 H new ATOM 0 HD3 LYS A 67 4.200 4.000 -11.841 1.00 21.02 H new ATOM 0 HE2 LYS A 67 5.058 5.760 -13.314 1.00 40.25 H new ATOM 0 HE3 LYS A 67 5.563 6.081 -11.666 1.00 40.25 H new ATOM 0 HZ1 LYS A 67 7.306 6.346 -13.437 1.00 52.21 H new ATOM 0 HZ2 LYS A 67 7.746 5.362 -12.125 1.00 52.21 H new ATOM 0 HZ3 LYS A 67 7.305 4.657 -13.605 1.00 52.21 H new ATOM 1064 N LEU A 68 7.604 2.526 -7.529 1.00 32.23 N ATOM 1065 CA LEU A 68 7.666 3.141 -6.200 1.00 4.25 C ATOM 1066 C LEU A 68 8.246 4.549 -6.336 1.00 5.32 C ATOM 1067 O LEU A 68 9.348 4.724 -6.870 1.00 62.42 O ATOM 1068 CB LEU A 68 8.521 2.248 -5.263 1.00 65.31 C ATOM 1069 CG LEU A 68 7.909 0.849 -4.937 1.00 14.52 C ATOM 1070 CD1 LEU A 68 8.880 -0.056 -4.170 1.00 2.34 C ATOM 1071 CD2 LEU A 68 6.593 0.991 -4.167 1.00 52.12 C ATOM 0 H LEU A 68 8.517 2.443 -7.976 1.00 32.23 H new ATOM 0 HA LEU A 68 6.672 3.224 -5.762 1.00 4.25 H new ATOM 0 HB2 LEU A 68 9.499 2.101 -5.721 1.00 65.31 H new ATOM 0 HB3 LEU A 68 8.684 2.783 -4.327 1.00 65.31 H new ATOM 0 HG LEU A 68 7.709 0.369 -5.895 1.00 14.52 H new ATOM 0 HD11 LEU A 68 8.402 -1.015 -3.970 1.00 2.34 H new ATOM 0 HD12 LEU A 68 9.778 -0.215 -4.767 1.00 2.34 H new ATOM 0 HD13 LEU A 68 9.151 0.418 -3.227 1.00 2.34 H new ATOM 0 HD21 LEU A 68 6.188 0.002 -3.953 1.00 52.12 H new ATOM 0 HD22 LEU A 68 6.774 1.519 -3.231 1.00 52.12 H new ATOM 0 HD23 LEU A 68 5.878 1.553 -4.768 1.00 52.12 H new ATOM 1083 N LEU A 69 7.488 5.542 -5.844 1.00 60.24 N ATOM 1084 CA LEU A 69 7.759 6.974 -6.041 1.00 61.22 C ATOM 1085 C LEU A 69 8.762 7.523 -5.019 1.00 2.41 C ATOM 1086 O LEU A 69 8.486 8.487 -4.295 1.00 34.15 O ATOM 1087 CB LEU A 69 6.424 7.741 -5.956 1.00 71.44 C ATOM 1088 CG LEU A 69 5.330 7.327 -6.988 1.00 60.21 C ATOM 1089 CD1 LEU A 69 4.052 8.158 -6.789 1.00 72.45 C ATOM 1090 CD2 LEU A 69 5.856 7.430 -8.439 1.00 23.53 C ATOM 0 H LEU A 69 6.652 5.367 -5.286 1.00 60.24 H new ATOM 0 HA LEU A 69 8.213 7.110 -7.022 1.00 61.22 H new ATOM 0 HB2 LEU A 69 6.017 7.612 -4.953 1.00 71.44 H new ATOM 0 HB3 LEU A 69 6.630 8.804 -6.082 1.00 71.44 H new ATOM 0 HG LEU A 69 5.078 6.281 -6.812 1.00 60.21 H new ATOM 0 HD11 LEU A 69 3.302 7.853 -7.519 1.00 72.45 H new ATOM 0 HD12 LEU A 69 3.666 7.996 -5.783 1.00 72.45 H new ATOM 0 HD13 LEU A 69 4.281 9.215 -6.924 1.00 72.45 H new ATOM 0 HD21 LEU A 69 5.069 7.135 -9.133 1.00 23.53 H new ATOM 0 HD22 LEU A 69 6.155 8.458 -8.646 1.00 23.53 H new ATOM 0 HD23 LEU A 69 6.715 6.770 -8.562 1.00 23.53 H new ATOM 1102 N ASP A 70 9.922 6.894 -4.974 1.00 5.10 N ATOM 1103 CA ASP A 70 11.048 7.345 -4.150 1.00 62.23 C ATOM 1104 C ASP A 70 11.673 8.574 -4.852 1.00 1.13 C ATOM 1105 O ASP A 70 12.002 8.488 -6.033 1.00 53.51 O ATOM 1106 CB ASP A 70 12.091 6.200 -3.988 1.00 14.53 C ATOM 1107 CG ASP A 70 13.123 6.416 -2.854 1.00 73.54 C ATOM 1108 OD1 ASP A 70 13.804 7.465 -2.827 1.00 22.34 O ATOM 1109 OD2 ASP A 70 13.289 5.520 -1.998 1.00 71.53 O ATOM 0 H ASP A 70 10.119 6.048 -5.509 1.00 5.10 H new ATOM 0 HA ASP A 70 10.712 7.618 -3.149 1.00 62.23 H new ATOM 0 HB2 ASP A 70 11.559 5.267 -3.803 1.00 14.53 H new ATOM 0 HB3 ASP A 70 12.627 6.080 -4.930 1.00 14.53 H new ATOM 1114 N PRO A 71 11.818 9.743 -4.162 1.00 33.50 N ATOM 1115 CA PRO A 71 12.364 10.988 -4.777 1.00 13.10 C ATOM 1116 C PRO A 71 13.811 10.867 -5.317 1.00 52.11 C ATOM 1117 O PRO A 71 14.214 11.697 -6.136 1.00 25.30 O ATOM 1118 CB PRO A 71 12.269 12.036 -3.637 1.00 21.24 C ATOM 1119 CG PRO A 71 12.149 11.241 -2.387 1.00 51.41 C ATOM 1120 CD PRO A 71 11.427 9.967 -2.749 1.00 32.23 C ATOM 0 HA PRO A 71 11.797 11.253 -5.670 1.00 13.10 H new ATOM 0 HB2 PRO A 71 13.152 12.675 -3.614 1.00 21.24 H new ATOM 0 HB3 PRO A 71 11.407 12.689 -3.773 1.00 21.24 H new ATOM 0 HG2 PRO A 71 13.133 11.023 -1.971 1.00 51.41 H new ATOM 0 HG3 PRO A 71 11.598 11.795 -1.628 1.00 51.41 H new ATOM 0 HD2 PRO A 71 11.731 9.137 -2.111 1.00 32.23 H new ATOM 0 HD3 PRO A 71 10.347 10.072 -2.642 1.00 32.23 H new ATOM 1128 N SER A 72 14.587 9.854 -4.865 1.00 41.24 N ATOM 1129 CA SER A 72 15.936 9.599 -5.418 1.00 62.42 C ATOM 1130 C SER A 72 15.830 8.989 -6.833 1.00 21.41 C ATOM 1131 O SER A 72 16.721 9.166 -7.673 1.00 60.21 O ATOM 1132 CB SER A 72 16.737 8.667 -4.488 1.00 72.21 C ATOM 1133 OG SER A 72 16.160 7.370 -4.411 1.00 53.01 O ATOM 0 H SER A 72 14.306 9.208 -4.128 1.00 41.24 H new ATOM 0 HA SER A 72 16.465 10.550 -5.488 1.00 62.42 H new ATOM 0 HB2 SER A 72 17.762 8.587 -4.850 1.00 72.21 H new ATOM 0 HB3 SER A 72 16.784 9.103 -3.490 1.00 72.21 H new ATOM 0 HG SER A 72 15.348 7.405 -3.863 1.00 53.01 H new ATOM 1227 N GLN B 105 -8.810 14.824 -0.290 1.00 5.44 N ATOM 1228 CA GLN B 105 -7.842 14.249 0.682 1.00 5.43 C ATOM 1229 C GLN B 105 -7.086 13.047 0.065 1.00 53.51 C ATOM 1230 O GLN B 105 -6.176 12.506 0.686 1.00 55.33 O ATOM 1231 CB GLN B 105 -8.544 13.818 2.025 1.00 23.13 C ATOM 1232 CG GLN B 105 -9.894 13.036 1.921 1.00 53.31 C ATOM 1233 CD GLN B 105 -10.042 12.110 0.704 1.00 74.04 C ATOM 1234 OE1 GLN B 105 -10.605 12.500 -0.314 1.00 35.12 O ATOM 1235 NE2 GLN B 105 -9.435 10.940 0.750 1.00 0.14 N ATOM 0 HA GLN B 105 -7.123 15.033 0.918 1.00 5.43 H new ATOM 0 HB2 GLN B 105 -7.842 13.202 2.588 1.00 23.13 H new ATOM 0 HB3 GLN B 105 -8.722 14.718 2.614 1.00 23.13 H new ATOM 0 HG2 GLN B 105 -10.016 12.439 2.825 1.00 53.31 H new ATOM 0 HG3 GLN B 105 -10.710 13.759 1.904 1.00 53.31 H new ATOM 0 HE21 GLN B 105 -8.974 10.638 1.608 1.00 0.14 H new ATOM 0 HE22 GLN B 105 -9.427 10.337 -0.073 1.00 0.14 H new ATOM 1244 N LEU B 106 -7.563 12.583 -1.115 1.00 50.54 N ATOM 1245 CA LEU B 106 -6.956 11.470 -1.861 1.00 3.52 C ATOM 1246 C LEU B 106 -5.566 11.901 -2.348 1.00 31.21 C ATOM 1247 O LEU B 106 -5.405 12.993 -2.913 1.00 44.12 O ATOM 1248 CB LEU B 106 -7.913 11.030 -3.024 1.00 12.15 C ATOM 1249 CG LEU B 106 -7.423 9.875 -3.983 1.00 50.31 C ATOM 1250 CD1 LEU B 106 -8.612 9.156 -4.667 1.00 32.32 C ATOM 1251 CD2 LEU B 106 -6.448 10.396 -5.066 1.00 4.32 C ATOM 0 H LEU B 106 -8.385 12.977 -1.573 1.00 50.54 H new ATOM 0 HA LEU B 106 -6.821 10.596 -1.224 1.00 3.52 H new ATOM 0 HB2 LEU B 106 -8.858 10.718 -2.580 1.00 12.15 H new ATOM 0 HB3 LEU B 106 -8.122 11.907 -3.636 1.00 12.15 H new ATOM 0 HG LEU B 106 -6.894 9.161 -3.352 1.00 50.31 H new ATOM 0 HD11 LEU B 106 -8.235 8.368 -5.319 1.00 32.32 H new ATOM 0 HD12 LEU B 106 -9.259 8.719 -3.907 1.00 32.32 H new ATOM 0 HD13 LEU B 106 -9.180 9.874 -5.258 1.00 32.32 H new ATOM 0 HD21 LEU B 106 -6.136 9.569 -5.703 1.00 4.32 H new ATOM 0 HD22 LEU B 106 -6.947 11.152 -5.672 1.00 4.32 H new ATOM 0 HD23 LEU B 106 -5.573 10.835 -4.587 1.00 4.32 H new ATOM 1263 N LEU B 107 -4.574 11.022 -2.143 1.00 53.35 N ATOM 1264 CA LEU B 107 -3.165 11.319 -2.411 1.00 54.41 C ATOM 1265 C LEU B 107 -2.333 10.035 -2.440 1.00 32.51 C ATOM 1266 O LEU B 107 -2.858 8.928 -2.626 1.00 21.32 O ATOM 1267 CB LEU B 107 -2.645 12.352 -1.355 1.00 61.32 C ATOM 1268 CG LEU B 107 -3.056 12.102 0.137 1.00 42.10 C ATOM 1269 CD1 LEU B 107 -2.246 10.966 0.799 1.00 4.42 C ATOM 1270 CD2 LEU B 107 -2.988 13.409 0.941 1.00 30.33 C ATOM 0 H LEU B 107 -4.731 10.080 -1.784 1.00 53.35 H new ATOM 0 HA LEU B 107 -3.063 11.769 -3.398 1.00 54.41 H new ATOM 0 HB2 LEU B 107 -1.557 12.375 -1.409 1.00 61.32 H new ATOM 0 HB3 LEU B 107 -2.999 13.342 -1.644 1.00 61.32 H new ATOM 0 HG LEU B 107 -4.091 11.760 0.137 1.00 42.10 H new ATOM 0 HD11 LEU B 107 -2.574 10.839 1.831 1.00 4.42 H new ATOM 0 HD12 LEU B 107 -2.406 10.038 0.250 1.00 4.42 H new ATOM 0 HD13 LEU B 107 -1.186 11.219 0.784 1.00 4.42 H new ATOM 0 HD21 LEU B 107 -3.277 13.216 1.974 1.00 30.33 H new ATOM 0 HD22 LEU B 107 -1.971 13.799 0.915 1.00 30.33 H new ATOM 0 HD23 LEU B 107 -3.668 14.140 0.505 1.00 30.33 H new ATOM 1282 N HIS B 108 -1.017 10.211 -2.282 1.00 34.31 N ATOM 1283 CA HIS B 108 -0.050 9.127 -2.324 1.00 43.44 C ATOM 1284 C HIS B 108 0.157 8.573 -0.914 1.00 22.24 C ATOM 1285 O HIS B 108 0.592 9.303 -0.011 1.00 32.42 O ATOM 1286 CB HIS B 108 1.286 9.642 -2.905 1.00 42.52 C ATOM 1287 CG HIS B 108 1.182 10.194 -4.312 1.00 63.04 C ATOM 1288 ND1 HIS B 108 2.275 10.457 -5.103 1.00 23.13 N ATOM 1289 CD2 HIS B 108 0.104 10.563 -5.050 1.00 54.24 C ATOM 1290 CE1 HIS B 108 1.870 10.968 -6.251 1.00 42.21 C ATOM 1291 NE2 HIS B 108 0.563 11.039 -6.241 1.00 40.03 N ATOM 0 H HIS B 108 -0.595 11.125 -2.120 1.00 34.31 H new ATOM 0 HA HIS B 108 -0.423 8.328 -2.965 1.00 43.44 H new ATOM 0 HB2 HIS B 108 1.678 10.420 -2.250 1.00 42.52 H new ATOM 0 HB3 HIS B 108 2.009 8.827 -2.900 1.00 42.52 H new ATOM 0 HD1 HIS B 108 3.246 10.284 -4.844 1.00 23.13 H new ATOM 0 HD2 HIS B 108 -0.930 10.492 -4.748 1.00 54.24 H new ATOM 0 HE1 HIS B 108 2.511 11.276 -7.064 1.00 42.21 H new ATOM 1300 N ILE B 109 -0.187 7.295 -0.737 1.00 60.20 N ATOM 1301 CA ILE B 109 0.112 6.544 0.489 1.00 30.03 C ATOM 1302 C ILE B 109 1.625 6.227 0.540 1.00 21.13 C ATOM 1303 O ILE B 109 2.365 6.503 -0.414 1.00 1.30 O ATOM 1304 CB ILE B 109 -0.720 5.205 0.574 1.00 4.41 C ATOM 1305 CG1 ILE B 109 -0.228 4.172 -0.498 1.00 21.33 C ATOM 1306 CG2 ILE B 109 -2.236 5.485 0.423 1.00 74.34 C ATOM 1307 CD1 ILE B 109 -1.005 2.863 -0.569 1.00 50.22 C ATOM 0 H ILE B 109 -0.683 6.748 -1.441 1.00 60.20 H new ATOM 0 HA ILE B 109 -0.170 7.161 1.342 1.00 30.03 H new ATOM 0 HB ILE B 109 -0.557 4.768 1.559 1.00 4.41 H new ATOM 0 HG12 ILE B 109 -0.267 4.648 -1.478 1.00 21.33 H new ATOM 0 HG13 ILE B 109 0.818 3.940 -0.297 1.00 21.33 H new ATOM 0 HG21 ILE B 109 -2.787 4.547 0.485 1.00 74.34 H new ATOM 0 HG22 ILE B 109 -2.564 6.152 1.220 1.00 74.34 H new ATOM 0 HG23 ILE B 109 -2.425 5.954 -0.543 1.00 74.34 H new ATOM 0 HD11 ILE B 109 -0.577 2.227 -1.344 1.00 50.22 H new ATOM 0 HD12 ILE B 109 -0.947 2.353 0.392 1.00 50.22 H new ATOM 0 HD13 ILE B 109 -2.048 3.072 -0.806 1.00 50.22 H new ATOM 1319 N VAL B 110 2.070 5.619 1.636 1.00 22.43 N ATOM 1320 CA VAL B 110 3.489 5.306 1.866 1.00 54.23 C ATOM 1321 C VAL B 110 3.640 3.871 2.376 1.00 44.44 C ATOM 1322 O VAL B 110 2.999 3.459 3.355 1.00 45.35 O ATOM 1323 CB VAL B 110 4.152 6.347 2.844 1.00 32.13 C ATOM 1324 CG1 VAL B 110 4.731 7.535 2.063 1.00 5.14 C ATOM 1325 CG2 VAL B 110 3.130 6.841 3.900 1.00 14.13 C ATOM 0 H VAL B 110 1.458 5.325 2.397 1.00 22.43 H new ATOM 0 HA VAL B 110 4.018 5.382 0.916 1.00 54.23 H new ATOM 0 HB VAL B 110 4.968 5.846 3.365 1.00 32.13 H new ATOM 0 HG11 VAL B 110 5.184 8.242 2.758 1.00 5.14 H new ATOM 0 HG12 VAL B 110 5.488 7.177 1.365 1.00 5.14 H new ATOM 0 HG13 VAL B 110 3.933 8.031 1.510 1.00 5.14 H new ATOM 0 HG21 VAL B 110 3.611 7.559 4.564 1.00 14.13 H new ATOM 0 HG22 VAL B 110 2.289 7.319 3.397 1.00 14.13 H new ATOM 0 HG23 VAL B 110 2.770 5.993 4.482 1.00 14.13 H new ATOM 1335 N VAL B 111 4.491 3.117 1.667 1.00 30.12 N ATOM 1336 CA VAL B 111 4.734 1.688 1.909 1.00 14.15 C ATOM 1337 C VAL B 111 6.245 1.444 2.038 1.00 10.10 C ATOM 1338 O VAL B 111 7.047 2.199 1.481 1.00 11.35 O ATOM 1339 CB VAL B 111 4.137 0.801 0.740 1.00 12.33 C ATOM 1340 CG1 VAL B 111 2.629 1.091 0.512 1.00 73.42 C ATOM 1341 CG2 VAL B 111 4.940 0.958 -0.585 1.00 43.14 C ATOM 0 H VAL B 111 5.041 3.491 0.894 1.00 30.12 H new ATOM 0 HA VAL B 111 4.235 1.401 2.835 1.00 14.15 H new ATOM 0 HB VAL B 111 4.234 -0.237 1.058 1.00 12.33 H new ATOM 0 HG11 VAL B 111 2.256 0.463 -0.297 1.00 73.42 H new ATOM 0 HG12 VAL B 111 2.075 0.873 1.425 1.00 73.42 H new ATOM 0 HG13 VAL B 111 2.496 2.140 0.248 1.00 73.42 H new ATOM 0 HG21 VAL B 111 4.494 0.331 -1.357 1.00 43.14 H new ATOM 0 HG22 VAL B 111 4.915 2.000 -0.904 1.00 43.14 H new ATOM 0 HG23 VAL B 111 5.974 0.653 -0.422 1.00 43.14 H new ATOM 1351 N GLY B 112 6.632 0.405 2.772 1.00 31.11 N ATOM 1352 CA GLY B 112 8.030 -0.006 2.835 1.00 32.11 C ATOM 1353 C GLY B 112 8.201 -1.374 3.435 1.00 2.33 C ATOM 1354 O GLY B 112 7.331 -2.224 3.266 1.00 21.41 O ATOM 0 H GLY B 112 5.998 -0.167 3.330 1.00 31.11 H new ATOM 0 HA2 GLY B 112 8.453 0.002 1.831 1.00 32.11 H new ATOM 0 HA3 GLY B 112 8.592 0.719 3.424 1.00 32.11 H new ATOM 1358 N GLY B 113 9.337 -1.594 4.125 1.00 41.40 N ATOM 1359 CA GLY B 113 9.619 -2.864 4.783 1.00 53.25 C ATOM 1360 C GLY B 113 10.938 -3.440 4.345 1.00 40.25 C ATOM 1361 O GLY B 113 11.747 -2.744 3.718 1.00 64.11 O ATOM 0 H GLY B 113 10.073 -0.897 4.236 1.00 41.40 H new ATOM 0 HA2 GLY B 113 9.626 -2.720 5.863 1.00 53.25 H new ATOM 0 HA3 GLY B 113 8.821 -3.573 4.561 1.00 53.25 H new ATOM 1365 N GLU B 114 11.141 -4.725 4.656 1.00 44.13 N ATOM 1366 CA GLU B 114 12.401 -5.422 4.385 1.00 34.31 C ATOM 1367 C GLU B 114 12.452 -5.901 2.946 1.00 44.41 C ATOM 1368 O GLU B 114 11.472 -6.451 2.426 1.00 21.32 O ATOM 1369 CB GLU B 114 12.595 -6.612 5.350 1.00 2.50 C ATOM 1370 CG GLU B 114 12.879 -6.164 6.783 1.00 74.25 C ATOM 1371 CD GLU B 114 13.048 -7.327 7.766 1.00 63.01 C ATOM 1372 OE1 GLU B 114 14.149 -7.919 7.804 1.00 10.33 O ATOM 1373 OE2 GLU B 114 12.101 -7.641 8.514 1.00 61.03 O ATOM 0 H GLU B 114 10.435 -5.310 5.103 1.00 44.13 H new ATOM 0 HA GLU B 114 13.214 -4.714 4.546 1.00 34.31 H new ATOM 0 HB2 GLU B 114 11.700 -7.235 5.338 1.00 2.50 H new ATOM 0 HB3 GLU B 114 13.419 -7.231 4.996 1.00 2.50 H new ATOM 0 HG2 GLU B 114 13.784 -5.557 6.792 1.00 74.25 H new ATOM 0 HG3 GLU B 114 12.063 -5.526 7.124 1.00 74.25 H new ATOM 1380 N LEU B 115 13.602 -5.650 2.318 1.00 51.33 N ATOM 1381 CA LEU B 115 13.929 -6.124 0.968 1.00 1.45 C ATOM 1382 C LEU B 115 15.001 -7.225 1.084 1.00 65.44 C ATOM 1383 O LEU B 115 15.465 -7.543 2.189 1.00 42.21 O ATOM 1384 CB LEU B 115 14.436 -4.944 0.087 1.00 40.24 C ATOM 1385 CG LEU B 115 13.570 -3.641 0.094 1.00 63.33 C ATOM 1386 CD1 LEU B 115 14.048 -2.651 -0.972 1.00 45.23 C ATOM 1387 CD2 LEU B 115 12.073 -3.927 -0.071 1.00 14.24 C ATOM 0 H LEU B 115 14.349 -5.100 2.741 1.00 51.33 H new ATOM 0 HA LEU B 115 13.039 -6.532 0.489 1.00 1.45 H new ATOM 0 HB2 LEU B 115 15.444 -4.685 0.412 1.00 40.24 H new ATOM 0 HB3 LEU B 115 14.513 -5.296 -0.942 1.00 40.24 H new ATOM 0 HG LEU B 115 13.705 -3.188 1.076 1.00 63.33 H new ATOM 0 HD11 LEU B 115 13.427 -1.756 -0.942 1.00 45.23 H new ATOM 0 HD12 LEU B 115 15.085 -2.379 -0.777 1.00 45.23 H new ATOM 0 HD13 LEU B 115 13.973 -3.112 -1.957 1.00 45.23 H new ATOM 0 HD21 LEU B 115 11.520 -2.988 -0.059 1.00 14.24 H new ATOM 0 HD22 LEU B 115 11.902 -4.437 -1.019 1.00 14.24 H new ATOM 0 HD23 LEU B 115 11.731 -4.560 0.748 1.00 14.24 H new ATOM 1399 N LYS B 116 15.377 -7.824 -0.042 1.00 54.30 N ATOM 1400 CA LYS B 116 16.471 -8.813 -0.093 1.00 44.12 C ATOM 1401 C LYS B 116 17.819 -8.118 -0.363 1.00 51.52 C ATOM 1402 O LYS B 116 18.875 -8.746 -0.243 1.00 13.43 O ATOM 1403 CB LYS B 116 16.176 -9.887 -1.164 1.00 54.13 C ATOM 1404 CG LYS B 116 14.878 -10.677 -0.911 1.00 33.33 C ATOM 1405 CD LYS B 116 14.611 -11.771 -1.964 1.00 1.25 C ATOM 1406 CE LYS B 116 13.335 -12.573 -1.657 1.00 73.32 C ATOM 1407 NZ LYS B 116 13.121 -13.678 -2.630 1.00 52.22 N ATOM 0 H LYS B 116 14.940 -7.645 -0.946 1.00 54.30 H new ATOM 0 HA LYS B 116 16.537 -9.308 0.876 1.00 44.12 H new ATOM 0 HB2 LYS B 116 16.113 -9.406 -2.140 1.00 54.13 H new ATOM 0 HB3 LYS B 116 17.013 -10.584 -1.206 1.00 54.13 H new ATOM 0 HG2 LYS B 116 14.928 -11.138 0.076 1.00 33.33 H new ATOM 0 HG3 LYS B 116 14.037 -9.984 -0.897 1.00 33.33 H new ATOM 0 HD2 LYS B 116 14.521 -11.311 -2.948 1.00 1.25 H new ATOM 0 HD3 LYS B 116 15.463 -12.449 -2.005 1.00 1.25 H new ATOM 0 HE2 LYS B 116 13.400 -12.985 -0.650 1.00 73.32 H new ATOM 0 HE3 LYS B 116 12.474 -11.904 -1.673 1.00 73.32 H new ATOM 0 HZ1 LYS B 116 12.251 -14.192 -2.386 1.00 52.22 H new ATOM 0 HZ2 LYS B 116 13.033 -13.284 -3.589 1.00 52.22 H new ATOM 0 HZ3 LYS B 116 13.930 -14.331 -2.597 1.00 52.22 H new ATOM 1421 N ASP B 117 17.764 -6.815 -0.705 1.00 53.13 N ATOM 1422 CA ASP B 117 18.955 -5.987 -0.962 1.00 34.22 C ATOM 1423 C ASP B 117 18.624 -4.506 -0.656 1.00 12.42 C ATOM 1424 O ASP B 117 17.461 -4.154 -0.458 1.00 31.31 O ATOM 1425 CB ASP B 117 19.439 -6.182 -2.422 1.00 23.44 C ATOM 1426 CG ASP B 117 20.835 -5.590 -2.694 1.00 10.21 C ATOM 1427 OD1 ASP B 117 21.847 -6.293 -2.456 1.00 70.31 O ATOM 1428 OD2 ASP B 117 20.930 -4.418 -3.123 1.00 32.30 O ATOM 0 H ASP B 117 16.886 -6.307 -0.811 1.00 53.13 H new ATOM 0 HA ASP B 117 19.770 -6.296 -0.308 1.00 34.22 H new ATOM 0 HB2 ASP B 117 19.455 -7.247 -2.651 1.00 23.44 H new ATOM 0 HB3 ASP B 117 18.720 -5.721 -3.099 1.00 23.44 H new ATOM 1433 N VAL B 118 19.653 -3.647 -0.577 1.00 55.11 N ATOM 1434 CA VAL B 118 19.483 -2.212 -0.276 1.00 4.20 C ATOM 1435 C VAL B 118 19.057 -1.412 -1.527 1.00 51.53 C ATOM 1436 O VAL B 118 18.170 -0.554 -1.450 1.00 25.14 O ATOM 1437 CB VAL B 118 20.794 -1.613 0.352 1.00 52.40 C ATOM 1438 CG1 VAL B 118 21.009 -2.162 1.781 1.00 13.14 C ATOM 1439 CG2 VAL B 118 22.041 -1.870 -0.540 1.00 73.12 C ATOM 0 H VAL B 118 20.624 -3.924 -0.719 1.00 55.11 H new ATOM 0 HA VAL B 118 18.680 -2.125 0.456 1.00 4.20 H new ATOM 0 HB VAL B 118 20.665 -0.532 0.411 1.00 52.40 H new ATOM 0 HG11 VAL B 118 21.921 -1.737 2.201 1.00 13.14 H new ATOM 0 HG12 VAL B 118 20.160 -1.889 2.407 1.00 13.14 H new ATOM 0 HG13 VAL B 118 21.098 -3.248 1.744 1.00 13.14 H new ATOM 0 HG21 VAL B 118 22.923 -1.438 -0.066 1.00 73.12 H new ATOM 0 HG22 VAL B 118 22.185 -2.943 -0.664 1.00 73.12 H new ATOM 0 HG23 VAL B 118 21.891 -1.409 -1.516 1.00 73.12 H new ATOM 1449 N ALA B 119 19.697 -1.701 -2.667 1.00 72.15 N ATOM 1450 CA ALA B 119 19.342 -1.100 -3.962 1.00 12.52 C ATOM 1451 C ALA B 119 18.292 -1.971 -4.674 1.00 4.34 C ATOM 1452 O ALA B 119 17.487 -1.460 -5.462 1.00 12.24 O ATOM 1453 CB ALA B 119 20.595 -0.926 -4.833 1.00 3.12 C ATOM 0 H ALA B 119 20.476 -2.358 -2.719 1.00 72.15 H new ATOM 0 HA ALA B 119 18.912 -0.113 -3.791 1.00 12.52 H new ATOM 0 HB1 ALA B 119 20.316 -0.480 -5.788 1.00 3.12 H new ATOM 0 HB2 ALA B 119 21.305 -0.275 -4.323 1.00 3.12 H new ATOM 0 HB3 ALA B 119 21.055 -1.899 -5.008 1.00 3.12 H new ATOM 1459 N GLY B 120 18.332 -3.287 -4.382 1.00 45.35 N ATOM 1460 CA GLY B 120 17.383 -4.250 -4.935 1.00 23.11 C ATOM 1461 C GLY B 120 16.032 -4.177 -4.236 1.00 25.11 C ATOM 1462 O GLY B 120 15.974 -4.275 -3.013 1.00 23.51 O ATOM 0 H GLY B 120 19.024 -3.702 -3.758 1.00 45.35 H new ATOM 0 HA2 GLY B 120 17.252 -4.060 -6.000 1.00 23.11 H new ATOM 0 HA3 GLY B 120 17.789 -5.257 -4.838 1.00 23.11 H new ATOM 1466 N VAL B 121 14.946 -4.058 -5.024 1.00 72.31 N ATOM 1467 CA VAL B 121 13.597 -3.724 -4.502 1.00 35.31 C ATOM 1468 C VAL B 121 12.712 -4.984 -4.269 1.00 53.32 C ATOM 1469 O VAL B 121 11.523 -4.889 -3.920 1.00 21.12 O ATOM 1470 CB VAL B 121 12.905 -2.674 -5.453 1.00 35.31 C ATOM 1471 CG1 VAL B 121 12.578 -3.265 -6.837 1.00 62.21 C ATOM 1472 CG2 VAL B 121 11.667 -2.018 -4.802 1.00 33.33 C ATOM 0 H VAL B 121 14.973 -4.189 -6.035 1.00 72.31 H new ATOM 0 HA VAL B 121 13.718 -3.274 -3.517 1.00 35.31 H new ATOM 0 HB VAL B 121 13.635 -1.880 -5.613 1.00 35.31 H new ATOM 0 HG11 VAL B 121 12.103 -2.503 -7.455 1.00 62.21 H new ATOM 0 HG12 VAL B 121 13.498 -3.599 -7.317 1.00 62.21 H new ATOM 0 HG13 VAL B 121 11.901 -4.112 -6.720 1.00 62.21 H new ATOM 0 HG21 VAL B 121 11.226 -1.303 -5.497 1.00 33.33 H new ATOM 0 HG22 VAL B 121 10.934 -2.787 -4.559 1.00 33.33 H new ATOM 0 HG23 VAL B 121 11.966 -1.501 -3.890 1.00 33.33 H new ATOM 1482 N GLU B 122 13.325 -6.166 -4.386 1.00 61.14 N ATOM 1483 CA GLU B 122 12.619 -7.445 -4.201 1.00 44.01 C ATOM 1484 C GLU B 122 12.346 -7.646 -2.698 1.00 55.21 C ATOM 1485 O GLU B 122 13.281 -7.816 -1.918 1.00 20.53 O ATOM 1486 CB GLU B 122 13.405 -8.660 -4.810 1.00 3.14 C ATOM 1487 CG GLU B 122 14.905 -8.781 -4.423 1.00 1.04 C ATOM 1488 CD GLU B 122 15.876 -8.197 -5.463 1.00 40.20 C ATOM 1489 OE1 GLU B 122 15.823 -6.991 -5.715 1.00 25.32 O ATOM 1490 OE2 GLU B 122 16.699 -8.945 -6.028 1.00 70.13 O ATOM 0 H GLU B 122 14.315 -6.267 -4.609 1.00 61.14 H new ATOM 0 HA GLU B 122 11.675 -7.403 -4.744 1.00 44.01 H new ATOM 0 HB2 GLU B 122 12.900 -9.578 -4.509 1.00 3.14 H new ATOM 0 HB3 GLU B 122 13.337 -8.600 -5.896 1.00 3.14 H new ATOM 0 HG2 GLU B 122 15.064 -8.276 -3.470 1.00 1.04 H new ATOM 0 HG3 GLU B 122 15.145 -9.833 -4.270 1.00 1.04 H new ATOM 1497 N PHE B 123 11.062 -7.567 -2.308 1.00 54.23 N ATOM 1498 CA PHE B 123 10.624 -7.655 -0.896 1.00 74.23 C ATOM 1499 C PHE B 123 11.089 -8.986 -0.265 1.00 10.11 C ATOM 1500 O PHE B 123 10.833 -10.052 -0.817 1.00 53.32 O ATOM 1501 CB PHE B 123 9.074 -7.524 -0.820 1.00 62.35 C ATOM 1502 CG PHE B 123 8.497 -6.265 -1.499 1.00 12.12 C ATOM 1503 CD1 PHE B 123 9.057 -5.003 -1.283 1.00 52.43 C ATOM 1504 CD2 PHE B 123 7.383 -6.344 -2.340 1.00 43.11 C ATOM 1505 CE1 PHE B 123 8.531 -3.871 -1.885 1.00 33.24 C ATOM 1506 CE2 PHE B 123 6.859 -5.213 -2.940 1.00 43.30 C ATOM 1507 CZ PHE B 123 7.434 -3.977 -2.712 1.00 14.33 C ATOM 0 H PHE B 123 10.291 -7.440 -2.964 1.00 54.23 H new ATOM 0 HA PHE B 123 11.077 -6.839 -0.332 1.00 74.23 H new ATOM 0 HB2 PHE B 123 8.626 -8.405 -1.280 1.00 62.35 H new ATOM 0 HB3 PHE B 123 8.774 -7.524 0.228 1.00 62.35 H new ATOM 0 HD1 PHE B 123 9.916 -4.908 -0.635 1.00 52.43 H new ATOM 0 HD2 PHE B 123 6.924 -7.304 -2.524 1.00 43.11 H new ATOM 0 HE1 PHE B 123 8.981 -2.906 -1.706 1.00 33.24 H new ATOM 0 HE2 PHE B 123 5.999 -5.296 -3.588 1.00 43.30 H new ATOM 0 HZ PHE B 123 7.024 -3.095 -3.182 1.00 14.33 H new ATOM 1517 N ARG B 124 11.793 -8.903 0.879 1.00 74.43 N ATOM 1518 CA ARG B 124 12.341 -10.085 1.587 1.00 22.44 C ATOM 1519 C ARG B 124 11.225 -11.055 1.965 1.00 5.13 C ATOM 1520 O ARG B 124 11.344 -12.272 1.775 1.00 70.22 O ATOM 1521 CB ARG B 124 13.114 -9.655 2.851 1.00 72.34 C ATOM 1522 CG ARG B 124 13.775 -10.807 3.627 1.00 61.25 C ATOM 1523 CD ARG B 124 14.508 -10.341 4.889 1.00 45.51 C ATOM 1524 NE ARG B 124 15.201 -11.469 5.539 1.00 35.12 N ATOM 1525 CZ ARG B 124 15.655 -11.491 6.799 1.00 54.04 C ATOM 1526 NH1 ARG B 124 15.504 -10.448 7.606 1.00 13.12 N ATOM 1527 NH2 ARG B 124 16.290 -12.566 7.238 1.00 2.54 N ATOM 0 H ARG B 124 12.000 -8.018 1.342 1.00 74.43 H new ATOM 0 HA ARG B 124 13.030 -10.591 0.910 1.00 22.44 H new ATOM 0 HB2 ARG B 124 13.885 -8.941 2.563 1.00 72.34 H new ATOM 0 HB3 ARG B 124 12.429 -9.132 3.518 1.00 72.34 H new ATOM 0 HG2 ARG B 124 13.012 -11.534 3.905 1.00 61.25 H new ATOM 0 HG3 ARG B 124 14.480 -11.320 2.973 1.00 61.25 H new ATOM 0 HD2 ARG B 124 15.229 -9.566 4.631 1.00 45.51 H new ATOM 0 HD3 ARG B 124 13.797 -9.896 5.585 1.00 45.51 H new ATOM 0 HE ARG B 124 15.348 -12.308 4.978 1.00 35.12 H new ATOM 0 HH11 ARG B 124 15.034 -9.607 7.270 1.00 13.12 H new ATOM 0 HH12 ARG B 124 15.858 -10.487 8.562 1.00 13.12 H new ATOM 0 HH21 ARG B 124 16.429 -13.365 6.619 1.00 2.54 H new ATOM 0 HH22 ARG B 124 16.641 -12.596 8.195 1.00 2.54 H new ATOM 1541 N ASP B 125 10.143 -10.474 2.474 1.00 31.04 N ATOM 1542 CA ASP B 125 8.934 -11.190 2.854 1.00 1.04 C ATOM 1543 C ASP B 125 7.754 -10.221 2.759 1.00 73.32 C ATOM 1544 O ASP B 125 7.825 -9.086 3.251 1.00 32.00 O ATOM 1545 CB ASP B 125 9.064 -11.796 4.281 1.00 52.45 C ATOM 1546 CG ASP B 125 7.749 -12.375 4.838 1.00 15.24 C ATOM 1547 OD1 ASP B 125 7.150 -13.261 4.200 1.00 72.31 O ATOM 1548 OD2 ASP B 125 7.295 -11.926 5.910 1.00 50.01 O ATOM 0 H ASP B 125 10.083 -9.469 2.637 1.00 31.04 H new ATOM 0 HA ASP B 125 8.771 -12.029 2.177 1.00 1.04 H new ATOM 0 HB2 ASP B 125 9.817 -12.584 4.263 1.00 52.45 H new ATOM 0 HB3 ASP B 125 9.426 -11.025 4.961 1.00 52.45 H new ATOM 1553 N LEU B 126 6.678 -10.694 2.130 1.00 51.14 N ATOM 1554 CA LEU B 126 5.473 -9.917 1.833 1.00 52.13 C ATOM 1555 C LEU B 126 4.593 -9.674 3.081 1.00 34.11 C ATOM 1556 O LEU B 126 3.539 -9.040 2.979 1.00 4.31 O ATOM 1557 CB LEU B 126 4.680 -10.647 0.715 1.00 61.21 C ATOM 1558 CG LEU B 126 5.343 -10.693 -0.709 1.00 63.55 C ATOM 1559 CD1 LEU B 126 5.646 -9.282 -1.244 1.00 24.52 C ATOM 1560 CD2 LEU B 126 6.583 -11.621 -0.788 1.00 71.45 C ATOM 0 H LEU B 126 6.618 -11.658 1.803 1.00 51.14 H new ATOM 0 HA LEU B 126 5.775 -8.926 1.492 1.00 52.13 H new ATOM 0 HB2 LEU B 126 4.501 -11.672 1.040 1.00 61.21 H new ATOM 0 HB3 LEU B 126 3.706 -10.167 0.621 1.00 61.21 H new ATOM 0 HG LEU B 126 4.599 -11.143 -1.366 1.00 63.55 H new ATOM 0 HD11 LEU B 126 6.104 -9.357 -2.230 1.00 24.52 H new ATOM 0 HD12 LEU B 126 4.719 -8.714 -1.317 1.00 24.52 H new ATOM 0 HD13 LEU B 126 6.330 -8.774 -0.564 1.00 24.52 H new ATOM 0 HD21 LEU B 126 6.987 -11.602 -1.800 1.00 71.45 H new ATOM 0 HD22 LEU B 126 7.342 -11.274 -0.087 1.00 71.45 H new ATOM 0 HD23 LEU B 126 6.292 -12.640 -0.532 1.00 71.45 H new ATOM 1572 N SER B 127 5.013 -10.201 4.241 1.00 73.13 N ATOM 1573 CA SER B 127 4.397 -9.877 5.536 1.00 44.33 C ATOM 1574 C SER B 127 5.319 -8.937 6.349 1.00 22.43 C ATOM 1575 O SER B 127 4.841 -8.213 7.230 1.00 12.12 O ATOM 1576 CB SER B 127 4.078 -11.168 6.324 1.00 1.15 C ATOM 1577 OG SER B 127 3.327 -10.895 7.506 1.00 11.11 O ATOM 0 H SER B 127 5.787 -10.862 4.308 1.00 73.13 H new ATOM 0 HA SER B 127 3.457 -9.356 5.357 1.00 44.33 H new ATOM 0 HB2 SER B 127 3.518 -11.853 5.688 1.00 1.15 H new ATOM 0 HB3 SER B 127 5.008 -11.670 6.592 1.00 1.15 H new ATOM 0 HG SER B 127 3.143 -11.734 7.977 1.00 11.11 H new ATOM 1583 N LYS B 128 6.643 -8.942 6.043 1.00 44.34 N ATOM 1584 CA LYS B 128 7.644 -8.037 6.678 1.00 43.35 C ATOM 1585 C LYS B 128 7.677 -6.653 5.999 1.00 45.40 C ATOM 1586 O LYS B 128 8.527 -5.812 6.338 1.00 11.11 O ATOM 1587 CB LYS B 128 9.067 -8.687 6.654 1.00 12.11 C ATOM 1588 CG LYS B 128 9.272 -9.847 7.657 1.00 13.22 C ATOM 1589 CD LYS B 128 9.164 -9.385 9.129 1.00 52.23 C ATOM 1590 CE LYS B 128 9.426 -10.510 10.144 1.00 23.50 C ATOM 1591 NZ LYS B 128 9.288 -10.022 11.548 1.00 4.31 N ATOM 0 H LYS B 128 7.048 -9.572 5.350 1.00 44.34 H new ATOM 0 HA LYS B 128 7.339 -7.890 7.714 1.00 43.35 H new ATOM 0 HB2 LYS B 128 9.264 -9.057 5.648 1.00 12.11 H new ATOM 0 HB3 LYS B 128 9.807 -7.914 6.860 1.00 12.11 H new ATOM 0 HG2 LYS B 128 8.529 -10.622 7.468 1.00 13.22 H new ATOM 0 HG3 LYS B 128 10.251 -10.297 7.492 1.00 13.22 H new ATOM 0 HD2 LYS B 128 9.875 -8.577 9.302 1.00 52.23 H new ATOM 0 HD3 LYS B 128 8.169 -8.975 9.301 1.00 52.23 H new ATOM 0 HE2 LYS B 128 8.726 -11.328 9.971 1.00 23.50 H new ATOM 0 HE3 LYS B 128 10.428 -10.911 9.994 1.00 23.50 H new ATOM 0 HZ1 LYS B 128 9.471 -10.805 12.207 1.00 4.31 H new ATOM 0 HZ2 LYS B 128 9.973 -9.258 11.719 1.00 4.31 H new ATOM 0 HZ3 LYS B 128 8.324 -9.662 11.697 1.00 4.31 H new ATOM 1605 N VAL B 129 6.767 -6.424 5.034 1.00 4.13 N ATOM 1606 CA VAL B 129 6.594 -5.116 4.405 1.00 73.20 C ATOM 1607 C VAL B 129 5.710 -4.209 5.306 1.00 10.04 C ATOM 1608 O VAL B 129 4.483 -4.346 5.354 1.00 10.42 O ATOM 1609 CB VAL B 129 6.038 -5.228 2.925 1.00 34.32 C ATOM 1610 CG1 VAL B 129 7.086 -5.907 2.013 1.00 3.15 C ATOM 1611 CG2 VAL B 129 4.683 -5.975 2.847 1.00 54.01 C ATOM 0 H VAL B 129 6.137 -7.142 4.675 1.00 4.13 H new ATOM 0 HA VAL B 129 7.574 -4.649 4.312 1.00 73.20 H new ATOM 0 HB VAL B 129 5.854 -4.212 2.574 1.00 34.32 H new ATOM 0 HG11 VAL B 129 6.694 -5.979 0.999 1.00 3.15 H new ATOM 0 HG12 VAL B 129 8.001 -5.315 2.007 1.00 3.15 H new ATOM 0 HG13 VAL B 129 7.303 -6.907 2.390 1.00 3.15 H new ATOM 0 HG21 VAL B 129 4.352 -6.021 1.810 1.00 54.01 H new ATOM 0 HG22 VAL B 129 4.802 -6.987 3.235 1.00 54.01 H new ATOM 0 HG23 VAL B 129 3.940 -5.444 3.442 1.00 54.01 H new ATOM 1621 N GLU B 130 6.366 -3.327 6.082 1.00 14.32 N ATOM 1622 CA GLU B 130 5.681 -2.360 6.951 1.00 35.13 C ATOM 1623 C GLU B 130 5.168 -1.174 6.109 1.00 61.42 C ATOM 1624 O GLU B 130 5.957 -0.371 5.588 1.00 54.24 O ATOM 1625 CB GLU B 130 6.620 -1.850 8.082 1.00 33.00 C ATOM 1626 CG GLU B 130 6.004 -0.703 8.940 1.00 44.32 C ATOM 1627 CD GLU B 130 6.892 -0.138 10.064 1.00 41.00 C ATOM 1628 OE1 GLU B 130 8.131 -0.261 10.003 1.00 74.04 O ATOM 1629 OE2 GLU B 130 6.349 0.511 10.984 1.00 24.52 O ATOM 0 H GLU B 130 7.383 -3.267 6.122 1.00 14.32 H new ATOM 0 HA GLU B 130 4.836 -2.863 7.421 1.00 35.13 H new ATOM 0 HB2 GLU B 130 6.873 -2.685 8.736 1.00 33.00 H new ATOM 0 HB3 GLU B 130 7.552 -1.499 7.638 1.00 33.00 H new ATOM 0 HG2 GLU B 130 5.734 0.116 8.273 1.00 44.32 H new ATOM 0 HG3 GLU B 130 5.079 -1.069 9.386 1.00 44.32 H new ATOM 1636 N PHE B 131 3.844 -1.097 5.970 1.00 45.12 N ATOM 1637 CA PHE B 131 3.154 0.054 5.396 1.00 34.54 C ATOM 1638 C PHE B 131 3.245 1.208 6.393 1.00 30.53 C ATOM 1639 O PHE B 131 2.725 1.099 7.515 1.00 74.23 O ATOM 1640 CB PHE B 131 1.673 -0.308 5.104 1.00 45.42 C ATOM 1641 CG PHE B 131 1.517 -1.443 4.096 1.00 11.31 C ATOM 1642 CD1 PHE B 131 1.779 -2.767 4.454 1.00 25.12 C ATOM 1643 CD2 PHE B 131 1.137 -1.183 2.786 1.00 21.33 C ATOM 1644 CE1 PHE B 131 1.669 -3.783 3.532 1.00 53.51 C ATOM 1645 CE2 PHE B 131 1.031 -2.198 1.864 1.00 15.42 C ATOM 1646 CZ PHE B 131 1.298 -3.496 2.234 1.00 3.04 C ATOM 0 H PHE B 131 3.213 -1.845 6.258 1.00 45.12 H new ATOM 0 HA PHE B 131 3.617 0.347 4.454 1.00 34.54 H new ATOM 0 HB2 PHE B 131 1.184 -0.590 6.037 1.00 45.42 H new ATOM 0 HB3 PHE B 131 1.157 0.576 4.728 1.00 45.42 H new ATOM 0 HD1 PHE B 131 2.072 -2.997 5.468 1.00 25.12 H new ATOM 0 HD2 PHE B 131 0.921 -0.168 2.486 1.00 21.33 H new ATOM 0 HE1 PHE B 131 1.873 -4.803 3.824 1.00 53.51 H new ATOM 0 HE2 PHE B 131 0.738 -1.976 0.849 1.00 15.42 H new ATOM 0 HZ PHE B 131 1.217 -4.291 1.508 1.00 3.04 H new ATOM 1656 N VAL B 132 3.954 2.274 5.993 1.00 40.13 N ATOM 1657 CA VAL B 132 4.142 3.485 6.814 1.00 41.24 C ATOM 1658 C VAL B 132 2.774 4.078 7.206 1.00 13.20 C ATOM 1659 O VAL B 132 2.558 4.518 8.344 1.00 73.11 O ATOM 1660 CB VAL B 132 4.977 4.567 6.037 1.00 13.43 C ATOM 1661 CG1 VAL B 132 5.203 5.850 6.879 1.00 22.54 C ATOM 1662 CG2 VAL B 132 6.306 3.981 5.516 1.00 14.42 C ATOM 0 H VAL B 132 4.417 2.323 5.085 1.00 40.13 H new ATOM 0 HA VAL B 132 4.688 3.201 7.713 1.00 41.24 H new ATOM 0 HB VAL B 132 4.387 4.866 5.170 1.00 13.43 H new ATOM 0 HG11 VAL B 132 5.784 6.567 6.300 1.00 22.54 H new ATOM 0 HG12 VAL B 132 4.240 6.289 7.139 1.00 22.54 H new ATOM 0 HG13 VAL B 132 5.744 5.596 7.791 1.00 22.54 H new ATOM 0 HG21 VAL B 132 6.860 4.754 4.983 1.00 14.42 H new ATOM 0 HG22 VAL B 132 6.900 3.623 6.357 1.00 14.42 H new ATOM 0 HG23 VAL B 132 6.098 3.152 4.839 1.00 14.42 H new ATOM 1672 N GLY B 133 1.865 4.053 6.223 1.00 1.01 N ATOM 1673 CA GLY B 133 0.499 4.512 6.380 1.00 11.31 C ATOM 1674 C GLY B 133 0.087 5.367 5.196 1.00 45.13 C ATOM 1675 O GLY B 133 0.357 5.010 4.044 1.00 71.22 O ATOM 0 H GLY B 133 2.071 3.706 5.286 1.00 1.01 H new ATOM 0 HA2 GLY B 133 -0.171 3.656 6.469 1.00 11.31 H new ATOM 0 HA3 GLY B 133 0.406 5.087 7.301 1.00 11.31 H new ATOM 1679 N ALA B 134 -0.560 6.484 5.492 1.00 1.41 N ATOM 1680 CA ALA B 134 -0.972 7.503 4.522 1.00 70.54 C ATOM 1681 C ALA B 134 -1.249 8.787 5.311 1.00 22.35 C ATOM 1682 O ALA B 134 -1.750 8.718 6.445 1.00 5.35 O ATOM 1683 CB ALA B 134 -2.219 7.051 3.747 1.00 51.31 C ATOM 0 H ALA B 134 -0.825 6.720 6.448 1.00 1.41 H new ATOM 0 HA ALA B 134 -0.189 7.670 3.782 1.00 70.54 H new ATOM 0 HB1 ALA B 134 -2.504 7.824 3.034 1.00 51.31 H new ATOM 0 HB2 ALA B 134 -2.000 6.127 3.212 1.00 51.31 H new ATOM 0 HB3 ALA B 134 -3.039 6.880 4.445 1.00 51.31 H new ATOM 1689 N TYR B 135 -0.929 9.947 4.737 1.00 41.02 N ATOM 1690 CA TYR B 135 -0.965 11.238 5.474 1.00 71.33 C ATOM 1691 C TYR B 135 -1.990 12.195 4.844 1.00 44.01 C ATOM 1692 O TYR B 135 -2.330 12.014 3.691 1.00 63.11 O ATOM 1693 CB TYR B 135 0.464 11.846 5.498 1.00 23.52 C ATOM 1694 CG TYR B 135 1.454 11.038 6.356 1.00 51.20 C ATOM 1695 CD1 TYR B 135 2.021 9.853 5.882 1.00 51.53 C ATOM 1696 CD2 TYR B 135 1.801 11.437 7.654 1.00 75.43 C ATOM 1697 CE1 TYR B 135 2.889 9.106 6.656 1.00 72.10 C ATOM 1698 CE2 TYR B 135 2.671 10.685 8.428 1.00 53.40 C ATOM 1699 CZ TYR B 135 3.211 9.524 7.923 1.00 52.05 C ATOM 1700 OH TYR B 135 4.077 8.772 8.690 1.00 11.04 O ATOM 0 H TYR B 135 -0.640 10.033 3.763 1.00 41.02 H new ATOM 0 HA TYR B 135 -1.286 11.070 6.502 1.00 71.33 H new ATOM 0 HB2 TYR B 135 0.843 11.906 4.478 1.00 23.52 H new ATOM 0 HB3 TYR B 135 0.411 12.866 5.879 1.00 23.52 H new ATOM 0 HD1 TYR B 135 1.775 9.512 4.887 1.00 51.53 H new ATOM 0 HD2 TYR B 135 1.383 12.347 8.059 1.00 75.43 H new ATOM 0 HE1 TYR B 135 3.314 8.194 6.264 1.00 72.10 H new ATOM 0 HE2 TYR B 135 2.925 11.010 9.426 1.00 53.40 H new ATOM 0 HH TYR B 135 4.203 9.204 9.560 1.00 11.04 H new ATOM 1710 N PRO B 136 -2.514 13.228 5.590 1.00 62.41 N ATOM 1711 CA PRO B 136 -3.501 14.204 5.034 1.00 63.02 C ATOM 1712 C PRO B 136 -2.904 15.160 3.968 1.00 62.32 C ATOM 1713 O PRO B 136 -3.635 15.975 3.386 1.00 71.13 O ATOM 1714 CB PRO B 136 -3.985 14.974 6.291 1.00 41.35 C ATOM 1715 CG PRO B 136 -2.855 14.863 7.268 1.00 51.40 C ATOM 1716 CD PRO B 136 -2.229 13.507 7.031 1.00 30.23 C ATOM 0 HA PRO B 136 -4.303 13.701 4.493 1.00 63.02 H new ATOM 0 HB2 PRO B 136 -4.204 16.016 6.057 1.00 41.35 H new ATOM 0 HB3 PRO B 136 -4.900 14.539 6.693 1.00 41.35 H new ATOM 0 HG2 PRO B 136 -2.128 15.660 7.115 1.00 51.40 H new ATOM 0 HG3 PRO B 136 -3.215 14.952 8.293 1.00 51.40 H new ATOM 0 HD2 PRO B 136 -1.158 13.521 7.231 1.00 30.23 H new ATOM 0 HD3 PRO B 136 -2.665 12.747 7.679 1.00 30.23 H new ATOM 1724 N SER B 137 -1.587 15.042 3.709 1.00 10.10 N ATOM 1725 CA SER B 137 -0.895 15.784 2.643 1.00 72.34 C ATOM 1726 C SER B 137 0.194 14.882 2.050 1.00 44.01 C ATOM 1727 O SER B 137 0.833 14.105 2.783 1.00 63.24 O ATOM 1728 CB SER B 137 -0.276 17.089 3.182 1.00 32.11 C ATOM 1729 OG SER B 137 -1.248 17.914 3.808 1.00 53.02 O ATOM 0 H SER B 137 -0.972 14.424 4.238 1.00 10.10 H new ATOM 0 HA SER B 137 -1.615 16.060 1.872 1.00 72.34 H new ATOM 0 HB2 SER B 137 0.512 16.850 3.896 1.00 32.11 H new ATOM 0 HB3 SER B 137 0.191 17.635 2.363 1.00 32.11 H new ATOM 0 HG SER B 137 -0.820 18.731 4.139 1.00 53.02 H new ATOM 1735 N TYR B 138 0.372 14.965 0.719 1.00 12.20 N ATOM 1736 CA TYR B 138 1.394 14.196 0.000 1.00 2.21 C ATOM 1737 C TYR B 138 2.801 14.574 0.500 1.00 14.34 C ATOM 1738 O TYR B 138 3.609 13.690 0.722 1.00 12.31 O ATOM 1739 CB TYR B 138 1.272 14.401 -1.540 1.00 43.34 C ATOM 1740 CG TYR B 138 2.371 13.735 -2.416 1.00 3.41 C ATOM 1741 CD1 TYR B 138 3.056 12.579 -2.013 1.00 70.03 C ATOM 1742 CD2 TYR B 138 2.718 14.275 -3.658 1.00 23.32 C ATOM 1743 CE1 TYR B 138 4.028 11.995 -2.805 1.00 74.41 C ATOM 1744 CE2 TYR B 138 3.690 13.690 -4.454 1.00 3.44 C ATOM 1745 CZ TYR B 138 4.344 12.555 -4.015 1.00 31.35 C ATOM 1746 OH TYR B 138 5.292 11.957 -4.808 1.00 72.02 O ATOM 0 H TYR B 138 -0.189 15.567 0.116 1.00 12.20 H new ATOM 0 HA TYR B 138 1.231 13.138 0.204 1.00 2.21 H new ATOM 0 HB2 TYR B 138 0.302 14.019 -1.860 1.00 43.34 H new ATOM 0 HB3 TYR B 138 1.276 15.472 -1.743 1.00 43.34 H new ATOM 0 HD1 TYR B 138 2.818 12.133 -1.059 1.00 70.03 H new ATOM 0 HD2 TYR B 138 2.218 15.167 -4.005 1.00 23.32 H new ATOM 0 HE1 TYR B 138 4.535 11.102 -2.471 1.00 74.41 H new ATOM 0 HE2 TYR B 138 3.935 14.120 -5.414 1.00 3.44 H new ATOM 0 HH TYR B 138 5.402 12.474 -5.633 1.00 72.02 H new ATOM 1756 N ASP B 139 3.069 15.880 0.668 1.00 73.23 N ATOM 1757 CA ASP B 139 4.377 16.371 1.176 1.00 14.11 C ATOM 1758 C ASP B 139 4.755 15.737 2.546 1.00 12.31 C ATOM 1759 O ASP B 139 5.942 15.465 2.798 1.00 3.04 O ATOM 1760 CB ASP B 139 4.386 17.918 1.258 1.00 32.21 C ATOM 1761 CG ASP B 139 5.730 18.482 1.778 1.00 45.32 C ATOM 1762 OD1 ASP B 139 6.733 18.443 1.029 1.00 32.10 O ATOM 1763 OD2 ASP B 139 5.800 18.928 2.942 1.00 55.25 O ATOM 0 H ASP B 139 2.400 16.622 0.461 1.00 73.23 H new ATOM 0 HA ASP B 139 5.138 16.056 0.462 1.00 14.11 H new ATOM 0 HB2 ASP B 139 4.181 18.331 0.270 1.00 32.21 H new ATOM 0 HB3 ASP B 139 3.580 18.247 1.914 1.00 32.21 H new ATOM 1768 N GLU B 140 3.734 15.485 3.393 1.00 50.23 N ATOM 1769 CA GLU B 140 3.904 14.769 4.678 1.00 3.11 C ATOM 1770 C GLU B 140 4.332 13.316 4.434 1.00 11.00 C ATOM 1771 O GLU B 140 5.253 12.814 5.088 1.00 51.12 O ATOM 1772 CB GLU B 140 2.593 14.788 5.496 1.00 42.51 C ATOM 1773 CG GLU B 140 2.085 16.181 5.868 1.00 54.22 C ATOM 1774 CD GLU B 140 3.045 16.963 6.778 1.00 13.53 C ATOM 1775 OE1 GLU B 140 3.225 16.556 7.947 1.00 53.11 O ATOM 1776 OE2 GLU B 140 3.613 17.990 6.340 1.00 54.13 O ATOM 0 H GLU B 140 2.772 15.770 3.208 1.00 50.23 H new ATOM 0 HA GLU B 140 4.682 15.282 5.244 1.00 3.11 H new ATOM 0 HB2 GLU B 140 1.819 14.276 4.925 1.00 42.51 H new ATOM 0 HB3 GLU B 140 2.745 14.216 6.412 1.00 42.51 H new ATOM 0 HG2 GLU B 140 1.916 16.753 4.955 1.00 54.22 H new ATOM 0 HG3 GLU B 140 1.121 16.086 6.367 1.00 54.22 H new ATOM 1783 N ALA B 141 3.654 12.654 3.476 1.00 73.45 N ATOM 1784 CA ALA B 141 3.944 11.265 3.100 1.00 41.43 C ATOM 1785 C ALA B 141 5.330 11.169 2.423 1.00 40.31 C ATOM 1786 O ALA B 141 6.109 10.234 2.662 1.00 50.11 O ATOM 1787 CB ALA B 141 2.814 10.758 2.186 1.00 71.35 C ATOM 0 H ALA B 141 2.891 13.071 2.944 1.00 73.45 H new ATOM 0 HA ALA B 141 3.984 10.631 3.986 1.00 41.43 H new ATOM 0 HB1 ALA B 141 3.015 9.726 1.897 1.00 71.35 H new ATOM 0 HB2 ALA B 141 1.865 10.808 2.719 1.00 71.35 H new ATOM 0 HB3 ALA B 141 2.761 11.381 1.293 1.00 71.35 H new ATOM 1793 N HIS B 142 5.657 12.225 1.668 1.00 65.24 N ATOM 1794 CA HIS B 142 6.863 12.304 0.834 1.00 44.24 C ATOM 1795 C HIS B 142 8.091 12.556 1.727 1.00 31.11 C ATOM 1796 O HIS B 142 9.213 12.254 1.342 1.00 22.21 O ATOM 1797 CB HIS B 142 6.681 13.438 -0.225 1.00 21.23 C ATOM 1798 CG HIS B 142 7.613 13.402 -1.412 1.00 1.21 C ATOM 1799 ND1 HIS B 142 7.450 14.228 -2.502 1.00 24.24 N ATOM 1800 CD2 HIS B 142 8.685 12.624 -1.702 1.00 24.01 C ATOM 1801 CE1 HIS B 142 8.368 13.959 -3.402 1.00 5.15 C ATOM 1802 NE2 HIS B 142 9.131 12.989 -2.946 1.00 41.04 N ATOM 0 H HIS B 142 5.080 13.065 1.619 1.00 65.24 H new ATOM 0 HA HIS B 142 7.020 11.364 0.305 1.00 44.24 H new ATOM 0 HB2 HIS B 142 5.656 13.400 -0.594 1.00 21.23 H new ATOM 0 HB3 HIS B 142 6.804 14.398 0.277 1.00 21.23 H new ATOM 0 HD1 HIS B 142 6.726 14.941 -2.596 1.00 24.24 H new ATOM 0 HD2 HIS B 142 9.109 11.858 -1.070 1.00 24.01 H new ATOM 0 HE1 HIS B 142 8.478 14.452 -4.357 1.00 5.15 H new ATOM 1811 N LYS B 143 7.853 13.129 2.920 1.00 50.23 N ATOM 1812 CA LYS B 143 8.894 13.371 3.930 1.00 52.41 C ATOM 1813 C LYS B 143 9.075 12.106 4.794 1.00 64.42 C ATOM 1814 O LYS B 143 10.199 11.751 5.188 1.00 51.41 O ATOM 1815 CB LYS B 143 8.476 14.576 4.821 1.00 34.51 C ATOM 1816 CG LYS B 143 9.653 15.369 5.426 1.00 11.22 C ATOM 1817 CD LYS B 143 10.494 16.117 4.354 1.00 42.45 C ATOM 1818 CE LYS B 143 9.819 17.396 3.787 1.00 72.54 C ATOM 1819 NZ LYS B 143 8.530 17.144 3.077 1.00 33.33 N ATOM 0 H LYS B 143 6.926 13.439 3.211 1.00 50.23 H new ATOM 0 HA LYS B 143 9.839 13.602 3.439 1.00 52.41 H new ATOM 0 HB2 LYS B 143 7.865 15.255 4.226 1.00 34.51 H new ATOM 0 HB3 LYS B 143 7.847 14.210 5.632 1.00 34.51 H new ATOM 0 HG2 LYS B 143 9.266 16.091 6.146 1.00 11.22 H new ATOM 0 HG3 LYS B 143 10.300 14.686 5.976 1.00 11.22 H new ATOM 0 HD2 LYS B 143 11.455 16.391 4.790 1.00 42.45 H new ATOM 0 HD3 LYS B 143 10.700 15.434 3.530 1.00 42.45 H new ATOM 0 HE2 LYS B 143 9.640 18.092 4.606 1.00 72.54 H new ATOM 0 HE3 LYS B 143 10.510 17.884 3.100 1.00 72.54 H new ATOM 0 HZ1 LYS B 143 8.391 17.868 2.343 1.00 33.33 H new ATOM 0 HZ2 LYS B 143 8.555 16.203 2.635 1.00 33.33 H new ATOM 0 HZ3 LYS B 143 7.745 17.185 3.758 1.00 33.33 H new ATOM 1833 N ALA B 144 7.933 11.434 5.055 1.00 63.33 N ATOM 1834 CA ALA B 144 7.853 10.235 5.905 1.00 65.22 C ATOM 1835 C ALA B 144 8.611 9.039 5.307 1.00 52.55 C ATOM 1836 O ALA B 144 8.991 8.132 6.046 1.00 1.13 O ATOM 1837 CB ALA B 144 6.392 9.857 6.154 1.00 72.14 C ATOM 0 H ALA B 144 7.030 11.716 4.674 1.00 63.33 H new ATOM 0 HA ALA B 144 8.333 10.483 6.852 1.00 65.22 H new ATOM 0 HB1 ALA B 144 6.348 8.969 6.784 1.00 72.14 H new ATOM 0 HB2 ALA B 144 5.883 10.681 6.653 1.00 72.14 H new ATOM 0 HB3 ALA B 144 5.902 9.651 5.202 1.00 72.14 H new ATOM 1843 N TRP B 145 8.800 9.055 3.970 1.00 10.04 N ATOM 1844 CA TRP B 145 9.637 8.080 3.233 1.00 42.12 C ATOM 1845 C TRP B 145 11.034 7.961 3.904 1.00 51.34 C ATOM 1846 O TRP B 145 11.487 6.864 4.254 1.00 63.41 O ATOM 1847 CB TRP B 145 9.721 8.513 1.705 1.00 32.21 C ATOM 1848 CG TRP B 145 11.115 8.479 1.078 1.00 34.11 C ATOM 1849 CD1 TRP B 145 11.769 7.398 0.550 1.00 33.31 C ATOM 1850 CD2 TRP B 145 12.033 9.587 0.951 1.00 4.42 C ATOM 1851 NE1 TRP B 145 13.030 7.758 0.152 1.00 44.33 N ATOM 1852 CE2 TRP B 145 13.216 9.086 0.384 1.00 22.00 C ATOM 1853 CE3 TRP B 145 11.971 10.951 1.280 1.00 24.21 C ATOM 1854 CZ2 TRP B 145 14.326 9.896 0.138 1.00 45.54 C ATOM 1855 CZ3 TRP B 145 13.066 11.755 1.032 1.00 4.43 C ATOM 1856 CH2 TRP B 145 14.232 11.226 0.476 1.00 44.15 C ATOM 0 H TRP B 145 8.371 9.754 3.363 1.00 10.04 H new ATOM 0 HA TRP B 145 9.188 7.088 3.270 1.00 42.12 H new ATOM 0 HB2 TRP B 145 9.067 7.861 1.126 1.00 32.21 H new ATOM 0 HB3 TRP B 145 9.326 9.525 1.612 1.00 32.21 H new ATOM 0 HD1 TRP B 145 11.352 6.406 0.460 1.00 33.31 H new ATOM 0 HE1 TRP B 145 13.722 7.128 -0.255 1.00 44.33 H new ATOM 0 HE3 TRP B 145 11.077 11.366 1.722 1.00 24.21 H new ATOM 0 HZ2 TRP B 145 15.226 9.493 -0.302 1.00 45.54 H new ATOM 0 HZ3 TRP B 145 13.020 12.807 1.271 1.00 4.43 H new ATOM 0 HH2 TRP B 145 15.079 11.875 0.308 1.00 44.15 H new ATOM 1867 N LYS B 146 11.679 9.123 4.109 1.00 73.11 N ATOM 1868 CA LYS B 146 13.039 9.207 4.687 1.00 74.44 C ATOM 1869 C LYS B 146 12.995 9.171 6.217 1.00 23.21 C ATOM 1870 O LYS B 146 13.936 8.693 6.848 1.00 40.33 O ATOM 1871 CB LYS B 146 13.731 10.490 4.189 1.00 62.31 C ATOM 1872 CG LYS B 146 15.179 10.712 4.674 1.00 74.33 C ATOM 1873 CD LYS B 146 15.760 12.080 4.241 1.00 21.24 C ATOM 1874 CE LYS B 146 14.922 13.259 4.755 1.00 51.52 C ATOM 1875 NZ LYS B 146 15.546 14.567 4.436 1.00 41.32 N ATOM 0 H LYS B 146 11.276 10.031 3.880 1.00 73.11 H new ATOM 0 HA LYS B 146 13.613 8.340 4.358 1.00 74.44 H new ATOM 0 HB2 LYS B 146 13.732 10.478 3.099 1.00 62.31 H new ATOM 0 HB3 LYS B 146 13.131 11.346 4.498 1.00 62.31 H new ATOM 0 HG2 LYS B 146 15.207 10.640 5.761 1.00 74.33 H new ATOM 0 HG3 LYS B 146 15.813 9.915 4.285 1.00 74.33 H new ATOM 0 HD2 LYS B 146 16.780 12.173 4.613 1.00 21.24 H new ATOM 0 HD3 LYS B 146 15.813 12.122 3.153 1.00 21.24 H new ATOM 0 HE2 LYS B 146 13.926 13.215 4.314 1.00 51.52 H new ATOM 0 HE3 LYS B 146 14.796 13.171 5.834 1.00 51.52 H new ATOM 0 HZ1 LYS B 146 14.948 15.335 4.801 1.00 41.32 H new ATOM 0 HZ2 LYS B 146 16.486 14.620 4.878 1.00 41.32 H new ATOM 0 HZ3 LYS B 146 15.643 14.663 3.405 1.00 41.32 H new ATOM 1889 N ALA B 147 11.893 9.669 6.804 1.00 61.12 N ATOM 1890 CA ALA B 147 11.688 9.634 8.269 1.00 63.34 C ATOM 1891 C ALA B 147 11.628 8.182 8.785 1.00 40.41 C ATOM 1892 O ALA B 147 11.987 7.906 9.928 1.00 63.44 O ATOM 1893 CB ALA B 147 10.419 10.404 8.650 1.00 12.35 C ATOM 0 H ALA B 147 11.127 10.102 6.288 1.00 61.12 H new ATOM 0 HA ALA B 147 12.540 10.120 8.745 1.00 63.34 H new ATOM 0 HB1 ALA B 147 10.283 10.369 9.731 1.00 12.35 H new ATOM 0 HB2 ALA B 147 10.513 11.442 8.330 1.00 12.35 H new ATOM 0 HB3 ALA B 147 9.557 9.950 8.161 1.00 12.35 H new ATOM 1899 N LYS B 148 11.172 7.277 7.908 1.00 4.40 N ATOM 1900 CA LYS B 148 11.145 5.834 8.150 1.00 74.14 C ATOM 1901 C LYS B 148 12.472 5.181 7.755 1.00 44.45 C ATOM 1902 O LYS B 148 12.966 4.336 8.485 1.00 43.44 O ATOM 1903 CB LYS B 148 9.973 5.222 7.354 1.00 62.23 C ATOM 1904 CG LYS B 148 8.590 5.556 7.940 1.00 32.03 C ATOM 1905 CD LYS B 148 8.347 4.939 9.330 1.00 0.34 C ATOM 1906 CE LYS B 148 8.451 3.406 9.324 1.00 50.21 C ATOM 1907 NZ LYS B 148 8.096 2.816 10.644 1.00 41.31 N ATOM 0 H LYS B 148 10.805 7.537 6.992 1.00 4.40 H new ATOM 0 HA LYS B 148 11.002 5.649 9.215 1.00 74.14 H new ATOM 0 HB2 LYS B 148 10.018 5.579 6.325 1.00 62.23 H new ATOM 0 HB3 LYS B 148 10.093 4.139 7.322 1.00 62.23 H new ATOM 0 HG2 LYS B 148 8.485 6.639 8.008 1.00 32.03 H new ATOM 0 HG3 LYS B 148 7.819 5.204 7.255 1.00 32.03 H new ATOM 0 HD2 LYS B 148 9.072 5.346 10.035 1.00 0.34 H new ATOM 0 HD3 LYS B 148 7.359 5.231 9.685 1.00 0.34 H new ATOM 0 HE2 LYS B 148 7.791 3.001 8.557 1.00 50.21 H new ATOM 0 HE3 LYS B 148 9.466 3.113 9.058 1.00 50.21 H new ATOM 0 HZ1 LYS B 148 8.803 2.100 10.906 1.00 41.31 H new ATOM 0 HZ2 LYS B 148 8.078 3.565 11.366 1.00 41.31 H new ATOM 0 HZ3 LYS B 148 7.158 2.371 10.584 1.00 41.31 H new ATOM 1921 N ALA B 149 13.030 5.585 6.598 1.00 42.03 N ATOM 1922 CA ALA B 149 14.298 5.029 6.074 1.00 54.33 C ATOM 1923 C ALA B 149 15.449 5.178 7.091 1.00 65.01 C ATOM 1924 O ALA B 149 16.126 4.198 7.426 1.00 3.04 O ATOM 1925 CB ALA B 149 14.661 5.705 4.752 1.00 51.43 C ATOM 0 H ALA B 149 12.619 6.302 6.001 1.00 42.03 H new ATOM 0 HA ALA B 149 14.150 3.963 5.901 1.00 54.33 H new ATOM 0 HB1 ALA B 149 15.595 5.289 4.375 1.00 51.43 H new ATOM 0 HB2 ALA B 149 13.867 5.532 4.025 1.00 51.43 H new ATOM 0 HB3 ALA B 149 14.780 6.777 4.912 1.00 51.43 H new ATOM 1931 N GLN B 150 15.625 6.417 7.589 1.00 24.44 N ATOM 1932 CA GLN B 150 16.630 6.763 8.619 1.00 62.54 C ATOM 1933 C GLN B 150 16.342 6.032 9.941 1.00 63.04 C ATOM 1934 O GLN B 150 17.263 5.689 10.682 1.00 23.35 O ATOM 1935 CB GLN B 150 16.640 8.297 8.861 1.00 44.24 C ATOM 1936 CG GLN B 150 17.055 9.142 7.634 1.00 43.44 C ATOM 1937 CD GLN B 150 16.823 10.655 7.808 1.00 54.13 C ATOM 1938 OE1 GLN B 150 15.742 11.044 8.482 1.00 64.12 O flip ATOM 1939 NE2 GLN B 150 17.579 11.468 7.284 1.00 73.11 N flip ATOM 0 H GLN B 150 15.069 7.216 7.286 1.00 24.44 H new ATOM 0 HA GLN B 150 17.608 6.446 8.256 1.00 62.54 H new ATOM 0 HB2 GLN B 150 15.645 8.607 9.179 1.00 44.24 H new ATOM 0 HB3 GLN B 150 17.321 8.517 9.684 1.00 44.24 H new ATOM 0 HG2 GLN B 150 18.111 8.968 7.426 1.00 43.44 H new ATOM 0 HG3 GLN B 150 16.498 8.797 6.763 1.00 43.44 H new ATOM 0 HE21 GLN B 150 18.401 11.145 6.773 1.00 73.11 H new ATOM 0 HE22 GLN B 150 17.386 12.467 7.360 1.00 73.11 H new ATOM 1948 N ALA B 151 15.055 5.804 10.220 1.00 23.34 N ATOM 1949 CA ALA B 151 14.603 5.131 11.450 1.00 60.31 C ATOM 1950 C ALA B 151 14.836 3.612 11.395 1.00 21.23 C ATOM 1951 O ALA B 151 14.929 2.957 12.437 1.00 21.42 O ATOM 1952 CB ALA B 151 13.118 5.430 11.679 1.00 65.44 C ATOM 0 H ALA B 151 14.293 6.080 9.601 1.00 23.34 H new ATOM 0 HA ALA B 151 15.192 5.518 12.281 1.00 60.31 H new ATOM 0 HB1 ALA B 151 12.783 4.932 12.589 1.00 65.44 H new ATOM 0 HB2 ALA B 151 12.975 6.506 11.780 1.00 65.44 H new ATOM 0 HB3 ALA B 151 12.538 5.065 10.831 1.00 65.44 H new ATOM 1958 N THR B 152 14.916 3.051 10.175 1.00 42.14 N ATOM 1959 CA THR B 152 15.012 1.594 9.962 1.00 3.02 C ATOM 1960 C THR B 152 16.321 1.211 9.254 1.00 2.43 C ATOM 1961 O THR B 152 16.415 0.146 8.629 1.00 43.52 O ATOM 1962 CB THR B 152 13.772 1.091 9.152 1.00 2.24 C ATOM 1963 OG1 THR B 152 13.748 1.732 7.869 1.00 55.31 O ATOM 1964 CG2 THR B 152 12.439 1.375 9.884 1.00 53.13 C ATOM 0 H THR B 152 14.916 3.593 9.311 1.00 42.14 H new ATOM 0 HA THR B 152 15.019 1.107 10.937 1.00 3.02 H new ATOM 0 HB THR B 152 13.869 0.011 9.042 1.00 2.24 H new ATOM 0 HG1 THR B 152 12.986 1.398 7.351 1.00 55.31 H new ATOM 0 HG21 THR B 152 11.608 1.008 9.282 1.00 53.13 H new ATOM 0 HG22 THR B 152 12.439 0.869 10.850 1.00 53.13 H new ATOM 0 HG23 THR B 152 12.329 2.449 10.037 1.00 53.13 H new ATOM 1972 N VAL B 153 17.343 2.071 9.404 1.00 23.24 N ATOM 1973 CA VAL B 153 18.717 1.778 8.934 1.00 72.33 C ATOM 1974 C VAL B 153 19.336 0.630 9.757 1.00 15.51 C ATOM 1975 O VAL B 153 20.129 -0.161 9.240 1.00 4.14 O ATOM 1976 CB VAL B 153 19.663 3.036 9.006 1.00 14.21 C ATOM 1977 CG1 VAL B 153 19.266 4.109 7.970 1.00 63.14 C ATOM 1978 CG2 VAL B 153 19.710 3.620 10.436 1.00 22.14 C ATOM 0 H VAL B 153 17.246 2.983 9.850 1.00 23.24 H new ATOM 0 HA VAL B 153 18.630 1.484 7.888 1.00 72.33 H new ATOM 0 HB VAL B 153 20.669 2.702 8.752 1.00 14.21 H new ATOM 0 HG11 VAL B 153 19.942 4.961 8.051 1.00 63.14 H new ATOM 0 HG12 VAL B 153 19.331 3.688 6.967 1.00 63.14 H new ATOM 0 HG13 VAL B 153 18.244 4.437 8.160 1.00 63.14 H new ATOM 0 HG21 VAL B 153 20.371 4.487 10.454 1.00 22.14 H new ATOM 0 HG22 VAL B 153 18.707 3.922 10.739 1.00 22.14 H new ATOM 0 HG23 VAL B 153 20.085 2.864 11.126 1.00 22.14 H new ATOM 1988 N ASP B 154 18.935 0.565 11.042 1.00 11.15 N ATOM 1989 CA ASP B 154 19.348 -0.482 11.995 1.00 72.05 C ATOM 1990 C ASP B 154 18.904 -1.873 11.519 1.00 63.22 C ATOM 1991 O ASP B 154 19.576 -2.875 11.790 1.00 13.43 O ATOM 1992 CB ASP B 154 18.746 -0.155 13.387 1.00 31.12 C ATOM 1993 CG ASP B 154 19.011 -1.222 14.468 1.00 41.50 C ATOM 1994 OD1 ASP B 154 20.140 -1.275 15.009 1.00 21.10 O ATOM 1995 OD2 ASP B 154 18.089 -2.008 14.786 1.00 10.04 O ATOM 0 H ASP B 154 18.303 1.252 11.453 1.00 11.15 H new ATOM 0 HA ASP B 154 20.436 -0.499 12.062 1.00 72.05 H new ATOM 0 HB2 ASP B 154 19.151 0.798 13.729 1.00 31.12 H new ATOM 0 HB3 ASP B 154 17.669 -0.024 13.281 1.00 31.12 H new ATOM 2000 N ASN B 155 17.766 -1.914 10.809 1.00 62.43 N ATOM 2001 CA ASN B 155 17.208 -3.143 10.260 1.00 71.50 C ATOM 2002 C ASN B 155 17.818 -3.421 8.872 1.00 31.55 C ATOM 2003 O ASN B 155 18.044 -2.487 8.095 1.00 31.11 O ATOM 2004 CB ASN B 155 15.668 -3.026 10.158 1.00 52.53 C ATOM 2005 CG ASN B 155 15.016 -4.375 9.893 1.00 71.22 C ATOM 2006 OD1 ASN B 155 15.045 -4.815 8.656 1.00 1.15 O flip ATOM 2007 ND2 ASN B 155 14.547 -5.041 10.812 1.00 2.04 N flip ATOM 0 H ASN B 155 17.209 -1.085 10.603 1.00 62.43 H new ATOM 0 HA ASN B 155 17.451 -3.973 10.923 1.00 71.50 H new ATOM 0 HB2 ASN B 155 15.273 -2.607 11.083 1.00 52.53 H new ATOM 0 HB3 ASN B 155 15.408 -2.333 9.358 1.00 52.53 H new ATOM 0 HD21 ASN B 155 14.541 -4.667 11.761 1.00 2.04 H new ATOM 0 HD22 ASN B 155 14.164 -5.968 10.626 1.00 2.04 H new ATOM 2014 N ALA B 156 18.042 -4.716 8.571 1.00 0.41 N ATOM 2015 CA ALA B 156 18.621 -5.171 7.297 1.00 73.25 C ATOM 2016 C ALA B 156 17.659 -4.933 6.120 1.00 4.04 C ATOM 2017 O ALA B 156 16.519 -5.422 6.138 1.00 60.44 O ATOM 2018 CB ALA B 156 18.998 -6.662 7.390 1.00 1.14 C ATOM 0 H ALA B 156 17.824 -5.479 9.212 1.00 0.41 H new ATOM 0 HA ALA B 156 19.521 -4.585 7.110 1.00 73.25 H new ATOM 0 HB1 ALA B 156 19.426 -6.989 6.442 1.00 1.14 H new ATOM 0 HB2 ALA B 156 19.729 -6.803 8.186 1.00 1.14 H new ATOM 0 HB3 ALA B 156 18.106 -7.250 7.608 1.00 1.14 H new ATOM 2024 N HIS B 157 18.126 -4.127 5.134 1.00 12.24 N ATOM 2025 CA HIS B 157 17.466 -3.929 3.819 1.00 52.14 C ATOM 2026 C HIS B 157 16.088 -3.242 3.921 1.00 71.42 C ATOM 2027 O HIS B 157 15.330 -3.232 2.945 1.00 52.42 O ATOM 2028 CB HIS B 157 17.313 -5.275 3.070 1.00 71.32 C ATOM 2029 CG HIS B 157 18.579 -6.085 2.916 1.00 61.10 C ATOM 2030 ND1 HIS B 157 19.852 -5.717 2.622 1.00 13.01 N flip ATOM 2031 CD2 HIS B 157 18.613 -7.454 3.049 1.00 72.45 C flip ATOM 2032 CE1 HIS B 157 20.613 -6.856 2.588 1.00 14.30 C flip ATOM 2033 NE2 HIS B 157 19.844 -7.889 2.851 1.00 42.13 N flip ATOM 0 H HIS B 157 18.986 -3.587 5.232 1.00 12.24 H new ATOM 0 HA HIS B 157 18.121 -3.262 3.259 1.00 52.14 H new ATOM 0 HB2 HIS B 157 16.577 -5.882 3.597 1.00 71.32 H new ATOM 0 HB3 HIS B 157 16.909 -5.074 2.078 1.00 71.32 H new ATOM 0 HD2 HIS B 157 17.762 -8.078 3.280 1.00 72.45 H new ATOM 0 HE1 HIS B 157 21.672 -6.898 2.379 1.00 14.30 H new ATOM 0 HE2 HIS B 157 20.147 -8.862 2.895 1.00 42.13 H new ATOM 2042 N ALA B 158 15.777 -2.670 5.088 1.00 3.13 N ATOM 2043 CA ALA B 158 14.477 -2.040 5.338 1.00 42.05 C ATOM 2044 C ALA B 158 14.417 -0.671 4.645 1.00 64.13 C ATOM 2045 O ALA B 158 14.921 0.337 5.164 1.00 31.13 O ATOM 2046 CB ALA B 158 14.188 -1.932 6.836 1.00 5.04 C ATOM 0 H ALA B 158 16.416 -2.630 5.882 1.00 3.13 H new ATOM 0 HA ALA B 158 13.696 -2.671 4.914 1.00 42.05 H new ATOM 0 HB1 ALA B 158 13.217 -1.460 6.986 1.00 5.04 H new ATOM 0 HB2 ALA B 158 14.180 -2.928 7.278 1.00 5.04 H new ATOM 0 HB3 ALA B 158 14.961 -1.330 7.313 1.00 5.04 H new ATOM 2052 N ARG B 159 13.834 -0.678 3.440 1.00 73.20 N ATOM 2053 CA ARG B 159 13.741 0.484 2.550 1.00 21.13 C ATOM 2054 C ARG B 159 12.266 0.856 2.362 1.00 51.50 C ATOM 2055 O ARG B 159 11.455 0.032 1.916 1.00 34.02 O ATOM 2056 CB ARG B 159 14.423 0.154 1.199 1.00 52.22 C ATOM 2057 CG ARG B 159 15.954 -0.027 1.279 1.00 42.53 C ATOM 2058 CD ARG B 159 16.653 1.272 1.701 1.00 14.32 C ATOM 2059 NE ARG B 159 18.116 1.133 1.787 1.00 44.51 N ATOM 2060 CZ ARG B 159 18.994 1.720 0.963 1.00 22.25 C ATOM 2061 NH1 ARG B 159 18.582 2.487 -0.041 1.00 33.20 N ATOM 2062 NH2 ARG B 159 20.289 1.561 1.166 1.00 11.41 N ATOM 0 H ARG B 159 13.403 -1.515 3.047 1.00 73.20 H new ATOM 0 HA ARG B 159 14.256 1.340 2.986 1.00 21.13 H new ATOM 0 HB2 ARG B 159 13.983 -0.759 0.798 1.00 52.22 H new ATOM 0 HB3 ARG B 159 14.201 0.952 0.491 1.00 52.22 H new ATOM 0 HG2 ARG B 159 16.191 -0.817 1.992 1.00 42.53 H new ATOM 0 HG3 ARG B 159 16.335 -0.348 0.309 1.00 42.53 H new ATOM 0 HD2 ARG B 159 16.409 2.059 0.987 1.00 14.32 H new ATOM 0 HD3 ARG B 159 16.266 1.589 2.669 1.00 14.32 H new ATOM 0 HE ARG B 159 18.490 0.544 2.531 1.00 44.51 H new ATOM 0 HH11 ARG B 159 17.584 2.636 -0.193 1.00 33.20 H new ATOM 0 HH12 ARG B 159 19.263 2.927 -0.660 1.00 33.20 H new ATOM 0 HH21 ARG B 159 20.617 0.993 1.947 1.00 11.41 H new ATOM 0 HH22 ARG B 159 20.962 2.006 0.541 1.00 11.41 H new ATOM 2076 N TYR B 160 11.928 2.098 2.746 1.00 52.21 N ATOM 2077 CA TYR B 160 10.549 2.606 2.786 1.00 40.30 C ATOM 2078 C TYR B 160 10.320 3.630 1.674 1.00 0.32 C ATOM 2079 O TYR B 160 10.825 4.746 1.735 1.00 34.01 O ATOM 2080 CB TYR B 160 10.251 3.182 4.200 1.00 45.35 C ATOM 2081 CG TYR B 160 10.203 2.084 5.278 1.00 63.51 C ATOM 2082 CD1 TYR B 160 11.346 1.370 5.627 1.00 33.22 C ATOM 2083 CD2 TYR B 160 9.010 1.715 5.901 1.00 21.55 C ATOM 2084 CE1 TYR B 160 11.303 0.349 6.539 1.00 4.22 C ATOM 2085 CE2 TYR B 160 8.972 0.700 6.827 1.00 43.53 C ATOM 2086 CZ TYR B 160 10.126 0.015 7.137 1.00 43.33 C ATOM 2087 OH TYR B 160 10.102 -1.014 8.046 1.00 43.52 O ATOM 0 H TYR B 160 12.618 2.788 3.042 1.00 52.21 H new ATOM 0 HA TYR B 160 9.849 1.791 2.605 1.00 40.30 H new ATOM 0 HB2 TYR B 160 11.017 3.912 4.462 1.00 45.35 H new ATOM 0 HB3 TYR B 160 9.299 3.712 4.181 1.00 45.35 H new ATOM 0 HD1 TYR B 160 12.289 1.627 5.168 1.00 33.22 H new ATOM 0 HD2 TYR B 160 8.099 2.237 5.651 1.00 21.55 H new ATOM 0 HE1 TYR B 160 12.205 -0.192 6.784 1.00 4.22 H new ATOM 0 HE2 TYR B 160 8.041 0.441 7.309 1.00 43.53 H new ATOM 0 HH TYR B 160 9.452 -0.812 8.751 1.00 43.52 H new ATOM 2097 N PHE B 161 9.560 3.206 0.659 1.00 51.14 N ATOM 2098 CA PHE B 161 9.278 3.980 -0.559 1.00 52.42 C ATOM 2099 C PHE B 161 7.900 4.681 -0.445 1.00 30.23 C ATOM 2100 O PHE B 161 7.388 4.890 0.667 1.00 72.24 O ATOM 2101 CB PHE B 161 9.293 3.014 -1.768 1.00 70.35 C ATOM 2102 CG PHE B 161 10.610 2.269 -2.023 1.00 4.25 C ATOM 2103 CD1 PHE B 161 10.930 1.107 -1.316 1.00 41.42 C ATOM 2104 CD2 PHE B 161 11.507 2.703 -3.004 1.00 14.13 C ATOM 2105 CE1 PHE B 161 12.097 0.417 -1.578 1.00 42.34 C ATOM 2106 CE2 PHE B 161 12.670 2.006 -3.269 1.00 13.24 C ATOM 2107 CZ PHE B 161 12.966 0.863 -2.555 1.00 30.31 C ATOM 0 H PHE B 161 9.111 2.290 0.660 1.00 51.14 H new ATOM 0 HA PHE B 161 10.037 4.751 -0.692 1.00 52.42 H new ATOM 0 HB2 PHE B 161 8.504 2.276 -1.627 1.00 70.35 H new ATOM 0 HB3 PHE B 161 9.042 3.582 -2.664 1.00 70.35 H new ATOM 0 HD1 PHE B 161 10.256 0.744 -0.555 1.00 41.42 H new ATOM 0 HD2 PHE B 161 11.287 3.599 -3.565 1.00 14.13 H new ATOM 0 HE1 PHE B 161 12.331 -0.475 -1.017 1.00 42.34 H new ATOM 0 HE2 PHE B 161 13.347 2.356 -4.034 1.00 13.24 H new ATOM 0 HZ PHE B 161 13.876 0.318 -2.760 1.00 30.31 H new ATOM 2117 N ILE B 162 7.310 5.070 -1.607 1.00 41.35 N ATOM 2118 CA ILE B 162 5.993 5.747 -1.674 1.00 41.05 C ATOM 2119 C ILE B 162 5.161 5.098 -2.799 1.00 11.34 C ATOM 2120 O ILE B 162 5.732 4.551 -3.752 1.00 2.33 O ATOM 2121 CB ILE B 162 6.159 7.295 -1.966 1.00 71.41 C ATOM 2122 CG1 ILE B 162 7.227 7.933 -1.027 1.00 2.44 C ATOM 2123 CG2 ILE B 162 4.806 8.043 -1.828 1.00 54.23 C ATOM 2124 CD1 ILE B 162 7.541 9.382 -1.314 1.00 1.10 C ATOM 0 H ILE B 162 7.737 4.922 -2.522 1.00 41.35 H new ATOM 0 HA ILE B 162 5.491 5.637 -0.713 1.00 41.05 H new ATOM 0 HB ILE B 162 6.502 7.396 -2.996 1.00 71.41 H new ATOM 0 HG12 ILE B 162 6.881 7.848 0.003 1.00 2.44 H new ATOM 0 HG13 ILE B 162 8.148 7.355 -1.102 1.00 2.44 H new ATOM 0 HG21 ILE B 162 4.954 9.103 -2.035 1.00 54.23 H new ATOM 0 HG22 ILE B 162 4.089 7.631 -2.538 1.00 54.23 H new ATOM 0 HG23 ILE B 162 4.424 7.921 -0.814 1.00 54.23 H new ATOM 0 HD11 ILE B 162 8.294 9.737 -0.610 1.00 1.10 H new ATOM 0 HD12 ILE B 162 7.921 9.477 -2.331 1.00 1.10 H new ATOM 0 HD13 ILE B 162 6.635 9.979 -1.208 1.00 1.10 H new ATOM 2136 N ILE B 163 3.820 5.153 -2.689 1.00 73.31 N ATOM 2137 CA ILE B 163 2.898 4.694 -3.744 1.00 55.43 C ATOM 2138 C ILE B 163 1.760 5.712 -3.938 1.00 32.35 C ATOM 2139 O ILE B 163 1.194 6.211 -2.972 1.00 42.54 O ATOM 2140 CB ILE B 163 2.309 3.251 -3.435 1.00 74.03 C ATOM 2141 CG1 ILE B 163 3.343 2.142 -3.787 1.00 54.40 C ATOM 2142 CG2 ILE B 163 0.975 2.990 -4.162 1.00 53.34 C ATOM 2143 CD1 ILE B 163 2.818 0.714 -3.730 1.00 4.43 C ATOM 0 H ILE B 163 3.345 5.518 -1.864 1.00 73.31 H new ATOM 0 HA ILE B 163 3.470 4.618 -4.669 1.00 55.43 H new ATOM 0 HB ILE B 163 2.106 3.219 -2.365 1.00 74.03 H new ATOM 0 HG12 ILE B 163 3.724 2.331 -4.791 1.00 54.40 H new ATOM 0 HG13 ILE B 163 4.188 2.227 -3.104 1.00 54.40 H new ATOM 0 HG21 ILE B 163 0.616 1.990 -3.917 1.00 53.34 H new ATOM 0 HG22 ILE B 163 0.238 3.728 -3.846 1.00 53.34 H new ATOM 0 HG23 ILE B 163 1.126 3.067 -5.239 1.00 53.34 H new ATOM 0 HD11 ILE B 163 3.618 0.022 -3.992 1.00 4.43 H new ATOM 0 HD12 ILE B 163 2.465 0.496 -2.722 1.00 4.43 H new ATOM 0 HD13 ILE B 163 1.994 0.601 -4.435 1.00 4.43 H new ATOM 2155 N HIS B 164 1.433 5.997 -5.205 1.00 2.42 N ATOM 2156 CA HIS B 164 0.249 6.788 -5.582 1.00 51.23 C ATOM 2157 C HIS B 164 -1.021 5.919 -5.462 1.00 40.35 C ATOM 2158 O HIS B 164 -1.031 4.760 -5.903 1.00 33.40 O ATOM 2159 CB HIS B 164 0.398 7.315 -7.030 1.00 32.15 C ATOM 2160 CG HIS B 164 0.522 6.217 -8.062 1.00 64.44 C ATOM 2161 ND1 HIS B 164 -0.562 5.711 -8.742 1.00 33.23 N ATOM 2162 CD2 HIS B 164 1.595 5.517 -8.506 1.00 33.43 C ATOM 2163 CE1 HIS B 164 -0.168 4.749 -9.546 1.00 73.13 C ATOM 2164 NE2 HIS B 164 1.138 4.609 -9.431 1.00 42.13 N ATOM 0 H HIS B 164 1.984 5.684 -6.004 1.00 2.42 H new ATOM 0 HA HIS B 164 0.162 7.640 -4.907 1.00 51.23 H new ATOM 0 HB2 HIS B 164 -0.465 7.935 -7.273 1.00 32.15 H new ATOM 0 HB3 HIS B 164 1.278 7.956 -7.086 1.00 32.15 H new ATOM 0 HD2 HIS B 164 2.620 5.649 -8.191 1.00 33.43 H new ATOM 0 HE1 HIS B 164 -0.808 4.169 -10.194 1.00 73.13 H new ATOM 0 HE2 HIS B 164 1.713 3.939 -9.943 1.00 42.13 H new ATOM 2173 N ALA B 165 -2.086 6.474 -4.883 1.00 74.31 N ATOM 2174 CA ALA B 165 -3.359 5.759 -4.689 1.00 52.40 C ATOM 2175 C ALA B 165 -4.508 6.546 -5.333 1.00 30.40 C ATOM 2176 O ALA B 165 -5.072 7.456 -4.721 1.00 31.44 O ATOM 2177 CB ALA B 165 -3.592 5.531 -3.198 1.00 41.25 C ATOM 0 H ALA B 165 -2.096 7.432 -4.533 1.00 74.31 H new ATOM 0 HA ALA B 165 -3.316 4.785 -5.177 1.00 52.40 H new ATOM 0 HB1 ALA B 165 -4.534 5.002 -3.054 1.00 41.25 H new ATOM 0 HB2 ALA B 165 -2.775 4.936 -2.789 1.00 41.25 H new ATOM 0 HB3 ALA B 165 -3.633 6.492 -2.685 1.00 41.25 H new ATOM 2183 N HIS B 166 -4.790 6.218 -6.599 1.00 42.31 N ATOM 2184 CA HIS B 166 -5.842 6.863 -7.409 1.00 30.31 C ATOM 2185 C HIS B 166 -6.276 5.874 -8.489 1.00 1.02 C ATOM 2186 O HIS B 166 -7.468 5.652 -8.696 1.00 15.23 O ATOM 2187 CB HIS B 166 -5.332 8.180 -8.060 1.00 63.40 C ATOM 2188 CG HIS B 166 -6.404 8.987 -8.760 1.00 53.51 C ATOM 2189 ND1 HIS B 166 -7.139 8.520 -9.829 1.00 12.42 N ATOM 2190 CD2 HIS B 166 -6.863 10.236 -8.530 1.00 14.12 C ATOM 2191 CE1 HIS B 166 -8.000 9.436 -10.204 1.00 65.51 C ATOM 2192 NE2 HIS B 166 -7.851 10.488 -9.438 1.00 53.21 N ATOM 0 H HIS B 166 -4.288 5.486 -7.102 1.00 42.31 H new ATOM 0 HA HIS B 166 -6.683 7.127 -6.768 1.00 30.31 H new ATOM 0 HB2 HIS B 166 -4.874 8.799 -7.288 1.00 63.40 H new ATOM 0 HB3 HIS B 166 -4.550 7.936 -8.779 1.00 63.40 H new ATOM 0 HD2 HIS B 166 -6.512 10.913 -7.766 1.00 14.12 H new ATOM 0 HE1 HIS B 166 -8.713 9.339 -11.010 1.00 65.51 H new ATOM 0 HE2 HIS B 166 -8.386 11.354 -9.508 1.00 53.21 H new ATOM 2201 N LYS B 167 -5.282 5.321 -9.208 1.00 64.43 N ATOM 2202 CA LYS B 167 -5.501 4.220 -10.156 1.00 44.24 C ATOM 2203 C LYS B 167 -5.213 2.910 -9.416 1.00 72.04 C ATOM 2204 O LYS B 167 -4.048 2.572 -9.154 1.00 55.00 O ATOM 2205 CB LYS B 167 -4.615 4.339 -11.432 1.00 53.43 C ATOM 2206 CG LYS B 167 -4.822 3.173 -12.433 1.00 42.31 C ATOM 2207 CD LYS B 167 -3.928 3.265 -13.689 1.00 23.15 C ATOM 2208 CE LYS B 167 -4.058 2.024 -14.596 1.00 73.03 C ATOM 2209 NZ LYS B 167 -5.407 1.898 -15.210 1.00 75.01 N ATOM 0 H LYS B 167 -4.310 5.625 -9.147 1.00 64.43 H new ATOM 0 HA LYS B 167 -6.532 4.254 -10.508 1.00 44.24 H new ATOM 0 HB2 LYS B 167 -4.836 5.282 -11.932 1.00 53.43 H new ATOM 0 HB3 LYS B 167 -3.566 4.373 -11.136 1.00 53.43 H new ATOM 0 HG2 LYS B 167 -4.622 2.230 -11.924 1.00 42.31 H new ATOM 0 HG3 LYS B 167 -5.867 3.153 -12.743 1.00 42.31 H new ATOM 0 HD2 LYS B 167 -4.195 4.156 -14.257 1.00 23.15 H new ATOM 0 HD3 LYS B 167 -2.888 3.381 -13.384 1.00 23.15 H new ATOM 0 HE2 LYS B 167 -3.308 2.076 -15.385 1.00 73.03 H new ATOM 0 HE3 LYS B 167 -3.844 1.129 -14.012 1.00 73.03 H new ATOM 0 HZ1 LYS B 167 -5.438 1.048 -15.809 1.00 75.01 H new ATOM 0 HZ2 LYS B 167 -6.124 1.820 -14.460 1.00 75.01 H new ATOM 0 HZ3 LYS B 167 -5.604 2.738 -15.791 1.00 75.01 H new ATOM 2223 N LEU B 168 -6.282 2.210 -9.043 1.00 21.52 N ATOM 2224 CA LEU B 168 -6.217 0.992 -8.228 1.00 1.24 C ATOM 2225 C LEU B 168 -6.615 -0.198 -9.095 1.00 62.43 C ATOM 2226 O LEU B 168 -7.697 -0.196 -9.688 1.00 33.23 O ATOM 2227 CB LEU B 168 -7.152 1.131 -6.997 1.00 12.55 C ATOM 2228 CG LEU B 168 -6.920 2.397 -6.119 1.00 62.05 C ATOM 2229 CD1 LEU B 168 -7.908 2.492 -4.943 1.00 72.31 C ATOM 2230 CD2 LEU B 168 -5.477 2.484 -5.621 1.00 51.22 C ATOM 0 H LEU B 168 -7.233 2.474 -9.300 1.00 21.52 H new ATOM 0 HA LEU B 168 -5.203 0.836 -7.859 1.00 1.24 H new ATOM 0 HB2 LEU B 168 -8.185 1.136 -7.346 1.00 12.55 H new ATOM 0 HB3 LEU B 168 -7.032 0.248 -6.370 1.00 12.55 H new ATOM 0 HG LEU B 168 -7.108 3.252 -6.768 1.00 62.05 H new ATOM 0 HD11 LEU B 168 -7.700 3.393 -4.365 1.00 72.31 H new ATOM 0 HD12 LEU B 168 -8.927 2.534 -5.327 1.00 72.31 H new ATOM 0 HD13 LEU B 168 -7.797 1.617 -4.303 1.00 72.31 H new ATOM 0 HD21 LEU B 168 -5.355 3.380 -5.013 1.00 51.22 H new ATOM 0 HD22 LEU B 168 -5.245 1.604 -5.021 1.00 51.22 H new ATOM 0 HD23 LEU B 168 -4.800 2.530 -6.474 1.00 51.22 H new ATOM 2242 N LEU B 169 -5.724 -1.189 -9.176 1.00 35.32 N ATOM 2243 CA LEU B 169 -5.893 -2.387 -10.001 1.00 35.21 C ATOM 2244 C LEU B 169 -6.990 -3.287 -9.426 1.00 34.11 C ATOM 2245 O LEU B 169 -6.714 -4.256 -8.713 1.00 54.12 O ATOM 2246 CB LEU B 169 -4.556 -3.165 -10.077 1.00 64.43 C ATOM 2247 CG LEU B 169 -3.325 -2.355 -10.570 1.00 54.13 C ATOM 2248 CD1 LEU B 169 -2.042 -3.191 -10.441 1.00 30.14 C ATOM 2249 CD2 LEU B 169 -3.520 -1.834 -12.013 1.00 1.11 C ATOM 0 H LEU B 169 -4.845 -1.180 -8.658 1.00 35.32 H new ATOM 0 HA LEU B 169 -6.189 -2.080 -11.004 1.00 35.21 H new ATOM 0 HB2 LEU B 169 -4.332 -3.562 -9.087 1.00 64.43 H new ATOM 0 HB3 LEU B 169 -4.693 -4.020 -10.739 1.00 64.43 H new ATOM 0 HG LEU B 169 -3.225 -1.478 -9.930 1.00 54.13 H new ATOM 0 HD11 LEU B 169 -1.191 -2.607 -10.791 1.00 30.14 H new ATOM 0 HD12 LEU B 169 -1.890 -3.465 -9.397 1.00 30.14 H new ATOM 0 HD13 LEU B 169 -2.134 -4.095 -11.043 1.00 30.14 H new ATOM 0 HD21 LEU B 169 -2.637 -1.273 -12.320 1.00 1.11 H new ATOM 0 HD22 LEU B 169 -3.667 -2.677 -12.688 1.00 1.11 H new ATOM 0 HD23 LEU B 169 -4.394 -1.184 -12.050 1.00 1.11 H new ATOM 2261 N ASP B 170 -8.239 -2.918 -9.683 1.00 1.54 N ATOM 2262 CA ASP B 170 -9.387 -3.752 -9.318 1.00 21.13 C ATOM 2263 C ASP B 170 -9.558 -4.809 -10.424 1.00 64.41 C ATOM 2264 O ASP B 170 -9.622 -4.457 -11.589 1.00 43.33 O ATOM 2265 CB ASP B 170 -10.683 -2.933 -9.136 1.00 34.20 C ATOM 2266 CG ASP B 170 -11.809 -3.717 -8.405 1.00 44.33 C ATOM 2267 OD1 ASP B 170 -12.434 -4.618 -9.016 1.00 63.30 O ATOM 2268 OD2 ASP B 170 -12.095 -3.419 -7.220 1.00 32.21 O ATOM 0 H ASP B 170 -8.488 -2.043 -10.145 1.00 1.54 H new ATOM 0 HA ASP B 170 -9.197 -4.221 -8.353 1.00 21.13 H new ATOM 0 HB2 ASP B 170 -10.456 -2.028 -8.573 1.00 34.20 H new ATOM 0 HB3 ASP B 170 -11.046 -2.618 -10.114 1.00 34.20 H new ATOM 2273 N PRO B 171 -9.579 -6.107 -10.062 1.00 23.42 N ATOM 2274 CA PRO B 171 -9.740 -7.261 -10.998 1.00 35.41 C ATOM 2275 C PRO B 171 -10.899 -7.197 -12.005 1.00 71.32 C ATOM 2276 O PRO B 171 -10.921 -7.989 -12.948 1.00 64.03 O ATOM 2277 CB PRO B 171 -9.929 -8.436 -10.034 1.00 33.50 C ATOM 2278 CG PRO B 171 -9.119 -8.033 -8.853 1.00 51.31 C ATOM 2279 CD PRO B 171 -9.361 -6.577 -8.682 1.00 72.31 C ATOM 0 HA PRO B 171 -8.881 -7.313 -11.668 1.00 35.41 H new ATOM 0 HB2 PRO B 171 -10.978 -8.580 -9.774 1.00 33.50 H new ATOM 0 HB3 PRO B 171 -9.576 -9.373 -10.465 1.00 33.50 H new ATOM 0 HG2 PRO B 171 -9.419 -8.588 -7.964 1.00 51.31 H new ATOM 0 HG3 PRO B 171 -8.061 -8.238 -9.015 1.00 51.31 H new ATOM 0 HD2 PRO B 171 -10.228 -6.384 -8.050 1.00 72.31 H new ATOM 0 HD3 PRO B 171 -8.510 -6.079 -8.217 1.00 72.31 H new