USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=24 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: A 5 GLN : amide:sc= -0.825 K(o=-0.2,f=-2.7) USER MOD Set 1.2: B 116 LYS NZ :NH3+ -125:sc= 0.625 (180deg=0.264) USER MOD Set 2.1: A 64 HIS :FLIP no HE2:sc= -0.118 F(o=-1.2,f=-0.12) USER MOD Set 2.2: B 164 HIS :FLIP no HD1:sc=-0.000814 F(o=-0.81,f=-0.12) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.2!) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0763) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 0.523 (180deg=0.447) 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 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.0445 K(o=-0.044,f=-0.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 1.01 (180deg=0.698) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 52 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -37:sc= 0.183 USER MOD Single : B 105 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.9) USER MOD Single : B 108 HIS : no HD1:sc= -0.375 K(o=-0.37,f=-1.2) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ -123:sc= 0.337 (180deg=-0.141) 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 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HE2:sc= 0 K(o=0,f=-1) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 140:sc= 1.19 (180deg=0.17) USER MOD Single : B 150 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : B 152 THR OG1 : rot -75:sc= 0.354 USER MOD Single : B 155 ASN : amide:sc= -0.543 K(o=-0.54,f=-2!) USER MOD Single : B 157 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-0.91) USER MOD Single : B 160 TYR OH : rot 175:sc= 0.607 USER MOD Single : B 166 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.2) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 9.074 -12.907 -6.375 1.00 13.30 N ATOM 69 CA GLN A 5 7.981 -12.666 -5.408 1.00 63.43 C ATOM 70 C GLN A 5 7.323 -11.295 -5.645 1.00 53.15 C ATOM 71 O GLN A 5 6.188 -11.086 -5.227 1.00 35.35 O ATOM 72 CB GLN A 5 8.469 -12.769 -3.917 1.00 42.21 C ATOM 73 CG GLN A 5 9.877 -12.188 -3.576 1.00 2.11 C ATOM 74 CD GLN A 5 10.230 -10.858 -4.257 1.00 74.34 C ATOM 75 OE1 GLN A 5 10.840 -10.843 -5.321 1.00 1.32 O ATOM 76 NE2 GLN A 5 9.768 -9.751 -3.716 1.00 54.15 N ATOM 0 HA GLN A 5 7.244 -13.451 -5.575 1.00 63.43 H new ATOM 0 HB2 GLN A 5 7.736 -12.264 -3.288 1.00 42.21 H new ATOM 0 HB3 GLN A 5 8.462 -13.821 -3.633 1.00 42.21 H new ATOM 0 HG2 GLN A 5 9.942 -12.051 -2.497 1.00 2.11 H new ATOM 0 HG3 GLN A 5 10.631 -12.927 -3.849 1.00 2.11 H new ATOM 0 HE21 GLN A 5 9.264 -9.788 -2.830 1.00 54.15 H new ATOM 0 HE22 GLN A 5 9.914 -8.856 -4.182 1.00 54.15 H new ATOM 85 N LEU A 6 8.074 -10.373 -6.304 1.00 32.02 N ATOM 86 CA LEU A 6 7.706 -8.959 -6.436 1.00 2.33 C ATOM 87 C LEU A 6 6.389 -8.828 -7.216 1.00 12.43 C ATOM 88 O LEU A 6 6.319 -9.159 -8.408 1.00 35.22 O ATOM 89 CB LEU A 6 8.854 -8.164 -7.111 1.00 1.20 C ATOM 90 CG LEU A 6 8.700 -6.612 -7.115 1.00 74.50 C ATOM 91 CD1 LEU A 6 8.728 -6.027 -5.689 1.00 35.40 C ATOM 92 CD2 LEU A 6 9.769 -5.951 -8.003 1.00 31.34 C ATOM 0 H LEU A 6 8.957 -10.604 -6.758 1.00 32.02 H new ATOM 0 HA LEU A 6 7.551 -8.534 -5.445 1.00 2.33 H new ATOM 0 HB2 LEU A 6 9.788 -8.415 -6.608 1.00 1.20 H new ATOM 0 HB3 LEU A 6 8.946 -8.503 -8.143 1.00 1.20 H new ATOM 0 HG LEU A 6 7.721 -6.387 -7.538 1.00 74.50 H new ATOM 0 HD11 LEU A 6 8.618 -4.944 -5.738 1.00 35.40 H new ATOM 0 HD12 LEU A 6 7.909 -6.449 -5.106 1.00 35.40 H new ATOM 0 HD13 LEU A 6 9.677 -6.274 -5.213 1.00 35.40 H new ATOM 0 HD21 LEU A 6 9.637 -4.869 -7.987 1.00 31.34 H new ATOM 0 HD22 LEU A 6 10.761 -6.202 -7.626 1.00 31.34 H new ATOM 0 HD23 LEU A 6 9.667 -6.314 -9.026 1.00 31.34 H new ATOM 104 N LEU A 7 5.363 -8.327 -6.521 1.00 71.43 N ATOM 105 CA LEU A 7 3.966 -8.430 -6.958 1.00 22.24 C ATOM 106 C LEU A 7 3.216 -7.106 -6.734 1.00 44.42 C ATOM 107 O LEU A 7 3.811 -6.041 -6.544 1.00 44.52 O ATOM 108 CB LEU A 7 3.255 -9.586 -6.171 1.00 64.50 C ATOM 109 CG LEU A 7 2.853 -9.275 -4.681 1.00 71.12 C ATOM 110 CD1 LEU A 7 1.824 -10.288 -4.147 1.00 23.23 C ATOM 111 CD2 LEU A 7 4.077 -9.176 -3.758 1.00 63.30 C ATOM 0 H LEU A 7 5.478 -7.836 -5.635 1.00 71.43 H new ATOM 0 HA LEU A 7 3.953 -8.649 -8.026 1.00 22.24 H new ATOM 0 HB2 LEU A 7 2.354 -9.867 -6.716 1.00 64.50 H new ATOM 0 HB3 LEU A 7 3.913 -10.455 -6.173 1.00 64.50 H new ATOM 0 HG LEU A 7 2.377 -8.294 -4.683 1.00 71.12 H new ATOM 0 HD11 LEU A 7 1.571 -10.041 -3.116 1.00 23.23 H new ATOM 0 HD12 LEU A 7 0.924 -10.250 -4.760 1.00 23.23 H new ATOM 0 HD13 LEU A 7 2.247 -11.292 -4.186 1.00 23.23 H new ATOM 0 HD21 LEU A 7 3.749 -8.960 -2.741 1.00 63.30 H new ATOM 0 HD22 LEU A 7 4.620 -10.121 -3.772 1.00 63.30 H new ATOM 0 HD23 LEU A 7 4.731 -8.376 -4.106 1.00 63.30 H new ATOM 123 N HIS A 8 1.889 -7.214 -6.797 1.00 34.10 N ATOM 124 CA HIS A 8 0.951 -6.164 -6.430 1.00 43.40 C ATOM 125 C HIS A 8 0.478 -6.421 -4.987 1.00 74.14 C ATOM 126 O HIS A 8 -0.113 -7.472 -4.723 1.00 64.35 O ATOM 127 CB HIS A 8 -0.257 -6.214 -7.393 1.00 73.51 C ATOM 128 CG HIS A 8 0.085 -6.041 -8.853 1.00 71.11 C ATOM 129 ND1 HIS A 8 -0.873 -5.836 -9.814 1.00 75.20 N ATOM 130 CD2 HIS A 8 1.265 -6.098 -9.524 1.00 20.23 C ATOM 131 CE1 HIS A 8 -0.306 -5.782 -10.998 1.00 3.11 C ATOM 132 NE2 HIS A 8 0.987 -5.934 -10.850 1.00 55.33 N ATOM 0 H HIS A 8 1.426 -8.065 -7.116 1.00 34.10 H new ATOM 0 HA HIS A 8 1.424 -5.184 -6.496 1.00 43.40 H new ATOM 0 HB2 HIS A 8 -0.766 -7.170 -7.265 1.00 73.51 H new ATOM 0 HB3 HIS A 8 -0.964 -5.436 -7.106 1.00 73.51 H new ATOM 0 HD2 HIS A 8 2.242 -6.246 -9.089 1.00 20.23 H new ATOM 0 HE1 HIS A 8 -0.820 -5.637 -11.937 1.00 3.11 H new ATOM 0 HE2 HIS A 8 1.674 -5.930 -11.604 1.00 55.33 H new ATOM 141 N ILE A 9 0.764 -5.493 -4.055 1.00 42.21 N ATOM 142 CA ILE A 9 0.286 -5.609 -2.658 1.00 61.52 C ATOM 143 C ILE A 9 -1.223 -5.287 -2.587 1.00 21.22 C ATOM 144 O ILE A 9 -1.793 -4.707 -3.517 1.00 10.24 O ATOM 145 CB ILE A 9 1.074 -4.668 -1.667 1.00 61.25 C ATOM 146 CG1 ILE A 9 0.784 -3.162 -1.975 1.00 4.22 C ATOM 147 CG2 ILE A 9 2.592 -4.975 -1.703 1.00 25.24 C ATOM 148 CD1 ILE A 9 1.508 -2.165 -1.084 1.00 0.43 C ATOM 0 H ILE A 9 1.320 -4.658 -4.239 1.00 42.21 H new ATOM 0 HA ILE A 9 0.466 -6.637 -2.345 1.00 61.52 H new ATOM 0 HB ILE A 9 0.722 -4.868 -0.655 1.00 61.25 H new ATOM 0 HG12 ILE A 9 1.055 -2.962 -3.012 1.00 4.22 H new ATOM 0 HG13 ILE A 9 -0.289 -2.990 -1.887 1.00 4.22 H new ATOM 0 HG21 ILE A 9 3.114 -4.313 -1.011 1.00 25.24 H new ATOM 0 HG22 ILE A 9 2.761 -6.011 -1.410 1.00 25.24 H new ATOM 0 HG23 ILE A 9 2.971 -4.817 -2.712 1.00 25.24 H new ATOM 0 HD11 ILE A 9 1.239 -1.151 -1.379 1.00 0.43 H new ATOM 0 HD12 ILE A 9 1.220 -2.329 -0.046 1.00 0.43 H new ATOM 0 HD13 ILE A 9 2.585 -2.300 -1.187 1.00 0.43 H new ATOM 160 N VAL A 10 -1.845 -5.637 -1.460 1.00 72.11 N ATOM 161 CA VAL A 10 -3.300 -5.489 -1.248 1.00 13.43 C ATOM 162 C VAL A 10 -3.585 -4.482 -0.122 1.00 34.31 C ATOM 163 O VAL A 10 -2.979 -4.541 0.961 1.00 61.32 O ATOM 164 CB VAL A 10 -3.964 -6.887 -0.952 1.00 2.12 C ATOM 165 CG1 VAL A 10 -4.230 -7.644 -2.262 1.00 45.30 C ATOM 166 CG2 VAL A 10 -3.074 -7.736 -0.005 1.00 1.52 C ATOM 0 H VAL A 10 -1.356 -6.035 -0.658 1.00 72.11 H new ATOM 0 HA VAL A 10 -3.745 -5.098 -2.163 1.00 13.43 H new ATOM 0 HB VAL A 10 -4.917 -6.710 -0.453 1.00 2.12 H new ATOM 0 HG11 VAL A 10 -4.689 -8.607 -2.039 1.00 45.30 H new ATOM 0 HG12 VAL A 10 -4.902 -7.059 -2.890 1.00 45.30 H new ATOM 0 HG13 VAL A 10 -3.289 -7.804 -2.788 1.00 45.30 H new ATOM 0 HG21 VAL A 10 -3.555 -8.696 0.183 1.00 1.52 H new ATOM 0 HG22 VAL A 10 -2.103 -7.902 -0.471 1.00 1.52 H new ATOM 0 HG23 VAL A 10 -2.938 -7.207 0.938 1.00 1.52 H new ATOM 176 N VAL A 11 -4.528 -3.564 -0.400 1.00 11.11 N ATOM 177 CA VAL A 11 -4.872 -2.440 0.493 1.00 54.25 C ATOM 178 C VAL A 11 -6.384 -2.145 0.435 1.00 64.45 C ATOM 179 O VAL A 11 -7.019 -2.281 -0.614 1.00 64.31 O ATOM 180 CB VAL A 11 -4.047 -1.145 0.117 1.00 73.40 C ATOM 181 CG1 VAL A 11 -4.287 -0.710 -1.346 1.00 10.31 C ATOM 182 CG2 VAL A 11 -4.316 0.009 1.115 1.00 30.04 C ATOM 0 H VAL A 11 -5.078 -3.581 -1.259 1.00 11.11 H new ATOM 0 HA VAL A 11 -4.611 -2.728 1.511 1.00 54.25 H new ATOM 0 HB VAL A 11 -2.991 -1.402 0.197 1.00 73.40 H new ATOM 0 HG11 VAL A 11 -3.701 0.183 -1.561 1.00 10.31 H new ATOM 0 HG12 VAL A 11 -3.985 -1.513 -2.019 1.00 10.31 H new ATOM 0 HG13 VAL A 11 -5.345 -0.493 -1.492 1.00 10.31 H new ATOM 0 HG21 VAL A 11 -3.733 0.883 0.826 1.00 30.04 H new ATOM 0 HG22 VAL A 11 -5.377 0.260 1.103 1.00 30.04 H new ATOM 0 HG23 VAL A 11 -4.028 -0.304 2.119 1.00 30.04 H new ATOM 192 N GLY A 12 -6.937 -1.750 1.581 1.00 3.21 N ATOM 193 CA GLY A 12 -8.337 -1.328 1.697 1.00 40.55 C ATOM 194 C GLY A 12 -8.471 -0.148 2.641 1.00 42.53 C ATOM 195 O GLY A 12 -7.482 0.289 3.234 1.00 0.43 O ATOM 0 H GLY A 12 -6.425 -1.713 2.462 1.00 3.21 H new ATOM 0 HA2 GLY A 12 -8.722 -1.058 0.714 1.00 40.55 H new ATOM 0 HA3 GLY A 12 -8.943 -2.159 2.059 1.00 40.55 H new ATOM 199 N GLY A 13 -9.689 0.380 2.766 1.00 42.34 N ATOM 200 CA GLY A 13 -9.955 1.506 3.663 1.00 42.11 C ATOM 201 C GLY A 13 -11.242 2.210 3.312 1.00 31.03 C ATOM 202 O GLY A 13 -11.757 2.028 2.200 1.00 62.43 O ATOM 0 H GLY A 13 -10.508 0.046 2.257 1.00 42.34 H new ATOM 0 HA2 GLY A 13 -10.006 1.148 4.691 1.00 42.11 H new ATOM 0 HA3 GLY A 13 -9.128 2.214 3.613 1.00 42.11 H new ATOM 206 N GLU A 14 -11.763 3.018 4.253 1.00 44.43 N ATOM 207 CA GLU A 14 -13.046 3.708 4.075 1.00 20.03 C ATOM 208 C GLU A 14 -12.904 4.910 3.148 1.00 64.02 C ATOM 209 O GLU A 14 -12.139 5.845 3.418 1.00 13.33 O ATOM 210 CB GLU A 14 -13.693 4.118 5.427 1.00 63.14 C ATOM 211 CG GLU A 14 -14.327 2.925 6.161 1.00 12.43 C ATOM 212 CD GLU A 14 -15.166 3.313 7.383 1.00 75.13 C ATOM 213 OE1 GLU A 14 -16.347 3.683 7.209 1.00 42.01 O ATOM 214 OE2 GLU A 14 -14.659 3.239 8.518 1.00 41.41 O ATOM 0 H GLU A 14 -11.310 3.207 5.147 1.00 44.43 H new ATOM 0 HA GLU A 14 -13.722 2.994 3.605 1.00 20.03 H new ATOM 0 HB2 GLU A 14 -12.936 4.573 6.066 1.00 63.14 H new ATOM 0 HB3 GLU A 14 -14.455 4.876 5.247 1.00 63.14 H new ATOM 0 HG2 GLU A 14 -14.957 2.376 5.461 1.00 12.43 H new ATOM 0 HG3 GLU A 14 -13.536 2.246 6.478 1.00 12.43 H new ATOM 221 N LEU A 15 -13.646 4.826 2.043 1.00 52.33 N ATOM 222 CA LEU A 15 -13.826 5.913 1.086 1.00 53.12 C ATOM 223 C LEU A 15 -14.896 6.893 1.607 1.00 13.31 C ATOM 224 O LEU A 15 -15.621 6.589 2.565 1.00 33.41 O ATOM 225 CB LEU A 15 -14.234 5.348 -0.308 1.00 21.21 C ATOM 226 CG LEU A 15 -13.172 4.458 -1.062 1.00 33.41 C ATOM 227 CD1 LEU A 15 -11.761 5.052 -0.970 1.00 35.14 C ATOM 228 CD2 LEU A 15 -13.181 2.992 -0.595 1.00 33.12 C ATOM 0 H LEU A 15 -14.150 3.978 1.784 1.00 52.33 H new ATOM 0 HA LEU A 15 -12.883 6.447 0.974 1.00 53.12 H new ATOM 0 HB2 LEU A 15 -15.141 4.757 -0.181 1.00 21.21 H new ATOM 0 HB3 LEU A 15 -14.489 6.189 -0.952 1.00 21.21 H new ATOM 0 HG LEU A 15 -13.472 4.460 -2.110 1.00 33.41 H new ATOM 0 HD11 LEU A 15 -11.060 4.409 -1.502 1.00 35.14 H new ATOM 0 HD12 LEU A 15 -11.754 6.045 -1.419 1.00 35.14 H new ATOM 0 HD13 LEU A 15 -11.464 5.125 0.076 1.00 35.14 H new ATOM 0 HD21 LEU A 15 -12.430 2.429 -1.149 1.00 33.12 H new ATOM 0 HD22 LEU A 15 -12.955 2.948 0.470 1.00 33.12 H new ATOM 0 HD23 LEU A 15 -14.165 2.559 -0.775 1.00 33.12 H new ATOM 240 N LYS A 16 -14.969 8.071 0.986 1.00 65.05 N ATOM 241 CA LYS A 16 -15.990 9.083 1.320 1.00 44.43 C ATOM 242 C LYS A 16 -17.373 8.613 0.846 1.00 2.13 C ATOM 243 O LYS A 16 -18.322 8.498 1.630 1.00 51.45 O ATOM 244 CB LYS A 16 -15.657 10.444 0.663 1.00 25.14 C ATOM 245 CG LYS A 16 -14.370 11.126 1.167 1.00 12.33 C ATOM 246 CD LYS A 16 -14.171 12.531 0.544 1.00 74.44 C ATOM 247 CE LYS A 16 -12.964 13.273 1.133 1.00 11.32 C ATOM 248 NZ LYS A 16 -12.817 14.640 0.552 1.00 64.33 N ATOM 0 H LYS A 16 -14.331 8.356 0.243 1.00 65.05 H new ATOM 0 HA LYS A 16 -15.997 9.210 2.403 1.00 44.43 H new ATOM 0 HB2 LYS A 16 -15.572 10.297 -0.414 1.00 25.14 H new ATOM 0 HB3 LYS A 16 -16.495 11.122 0.827 1.00 25.14 H new ATOM 0 HG2 LYS A 16 -14.408 11.214 2.253 1.00 12.33 H new ATOM 0 HG3 LYS A 16 -13.511 10.499 0.928 1.00 12.33 H new ATOM 0 HD2 LYS A 16 -14.041 12.431 -0.534 1.00 74.44 H new ATOM 0 HD3 LYS A 16 -15.071 13.125 0.703 1.00 74.44 H new ATOM 0 HE2 LYS A 16 -13.076 13.348 2.215 1.00 11.32 H new ATOM 0 HE3 LYS A 16 -12.057 12.699 0.945 1.00 11.32 H new ATOM 0 HZ1 LYS A 16 -12.066 15.153 1.057 1.00 64.33 H new ATOM 0 HZ2 LYS A 16 -12.568 14.564 -0.455 1.00 64.33 H new ATOM 0 HZ3 LYS A 16 -13.714 15.157 0.649 1.00 64.33 H new ATOM 262 N ASP A 17 -17.438 8.302 -0.452 1.00 55.10 N ATOM 263 CA ASP A 17 -18.686 7.955 -1.150 1.00 33.32 C ATOM 264 C ASP A 17 -18.546 6.561 -1.804 1.00 31.35 C ATOM 265 O ASP A 17 -17.435 6.045 -1.942 1.00 21.30 O ATOM 266 CB ASP A 17 -18.999 9.053 -2.205 1.00 13.11 C ATOM 267 CG ASP A 17 -20.294 8.807 -2.998 1.00 42.53 C ATOM 268 OD1 ASP A 17 -21.390 8.890 -2.408 1.00 10.24 O ATOM 269 OD2 ASP A 17 -20.219 8.518 -4.209 1.00 33.02 O ATOM 0 H ASP A 17 -16.617 8.283 -1.057 1.00 55.10 H new ATOM 0 HA ASP A 17 -19.515 7.909 -0.444 1.00 33.32 H new ATOM 0 HB2 ASP A 17 -19.071 10.017 -1.701 1.00 13.11 H new ATOM 0 HB3 ASP A 17 -18.165 9.120 -2.903 1.00 13.11 H new ATOM 274 N VAL A 18 -19.686 5.957 -2.179 1.00 24.23 N ATOM 275 CA VAL A 18 -19.734 4.646 -2.862 1.00 15.33 C ATOM 276 C VAL A 18 -19.064 4.690 -4.258 1.00 10.21 C ATOM 277 O VAL A 18 -18.330 3.774 -4.633 1.00 55.12 O ATOM 278 CB VAL A 18 -21.220 4.131 -2.984 1.00 42.32 C ATOM 279 CG1 VAL A 18 -21.789 3.790 -1.587 1.00 32.30 C ATOM 280 CG2 VAL A 18 -22.128 5.149 -3.727 1.00 71.40 C ATOM 0 H VAL A 18 -20.607 6.364 -2.018 1.00 24.23 H new ATOM 0 HA VAL A 18 -19.167 3.947 -2.248 1.00 15.33 H new ATOM 0 HB VAL A 18 -21.208 3.221 -3.584 1.00 42.32 H new ATOM 0 HG11 VAL A 18 -22.815 3.436 -1.688 1.00 32.30 H new ATOM 0 HG12 VAL A 18 -21.181 3.012 -1.126 1.00 32.30 H new ATOM 0 HG13 VAL A 18 -21.773 4.682 -0.960 1.00 32.30 H new ATOM 0 HG21 VAL A 18 -23.142 4.754 -3.789 1.00 71.40 H new ATOM 0 HG22 VAL A 18 -22.138 6.093 -3.182 1.00 71.40 H new ATOM 0 HG23 VAL A 18 -21.741 5.315 -4.733 1.00 71.40 H new ATOM 290 N ALA A 19 -19.326 5.768 -5.002 1.00 74.30 N ATOM 291 CA ALA A 19 -18.784 5.973 -6.362 1.00 40.25 C ATOM 292 C ALA A 19 -17.449 6.743 -6.336 1.00 53.13 C ATOM 293 O ALA A 19 -16.794 6.874 -7.376 1.00 13.32 O ATOM 294 CB ALA A 19 -19.823 6.713 -7.221 1.00 15.11 C ATOM 0 H ALA A 19 -19.923 6.531 -4.683 1.00 74.30 H new ATOM 0 HA ALA A 19 -18.580 4.996 -6.801 1.00 40.25 H new ATOM 0 HB1 ALA A 19 -19.424 6.865 -8.224 1.00 15.11 H new ATOM 0 HB2 ALA A 19 -20.736 6.120 -7.279 1.00 15.11 H new ATOM 0 HB3 ALA A 19 -20.046 7.680 -6.769 1.00 15.11 H new ATOM 300 N GLY A 20 -17.066 7.262 -5.149 1.00 20.15 N ATOM 301 CA GLY A 20 -15.825 8.037 -4.988 1.00 24.02 C ATOM 302 C GLY A 20 -14.715 7.224 -4.336 1.00 33.35 C ATOM 303 O GLY A 20 -14.915 6.678 -3.252 1.00 62.14 O ATOM 0 H GLY A 20 -17.603 7.155 -4.288 1.00 20.15 H new ATOM 0 HA2 GLY A 20 -15.490 8.388 -5.964 1.00 24.02 H new ATOM 0 HA3 GLY A 20 -16.028 8.921 -4.384 1.00 24.02 H new ATOM 307 N VAL A 21 -13.526 7.179 -4.979 1.00 41.43 N ATOM 308 CA VAL A 21 -12.363 6.399 -4.480 1.00 73.23 C ATOM 309 C VAL A 21 -11.444 7.282 -3.576 1.00 13.13 C ATOM 310 O VAL A 21 -10.253 7.005 -3.377 1.00 35.32 O ATOM 311 CB VAL A 21 -11.578 5.739 -5.689 1.00 13.20 C ATOM 312 CG1 VAL A 21 -10.770 6.769 -6.509 1.00 1.11 C ATOM 313 CG2 VAL A 21 -10.696 4.546 -5.231 1.00 24.02 C ATOM 0 H VAL A 21 -13.343 7.676 -5.851 1.00 41.43 H new ATOM 0 HA VAL A 21 -12.727 5.585 -3.852 1.00 73.23 H new ATOM 0 HB VAL A 21 -12.337 5.338 -6.360 1.00 13.20 H new ATOM 0 HG11 VAL A 21 -10.253 6.261 -7.323 1.00 1.11 H new ATOM 0 HG12 VAL A 21 -11.447 7.518 -6.920 1.00 1.11 H new ATOM 0 HG13 VAL A 21 -10.039 7.256 -5.863 1.00 1.11 H new ATOM 0 HG21 VAL A 21 -10.177 4.125 -6.092 1.00 24.02 H new ATOM 0 HG22 VAL A 21 -9.965 4.893 -4.501 1.00 24.02 H new ATOM 0 HG23 VAL A 21 -11.326 3.781 -4.778 1.00 24.02 H new ATOM 323 N GLU A 22 -12.056 8.299 -2.949 1.00 44.02 N ATOM 324 CA GLU A 22 -11.357 9.254 -2.072 1.00 54.23 C ATOM 325 C GLU A 22 -11.332 8.693 -0.649 1.00 45.42 C ATOM 326 O GLU A 22 -12.381 8.613 -0.019 1.00 12.30 O ATOM 327 CB GLU A 22 -12.102 10.621 -2.069 1.00 34.44 C ATOM 328 CG GLU A 22 -12.580 11.097 -3.442 1.00 11.11 C ATOM 329 CD GLU A 22 -11.465 11.161 -4.486 1.00 3.14 C ATOM 330 OE1 GLU A 22 -10.627 12.084 -4.419 1.00 4.03 O ATOM 331 OE2 GLU A 22 -11.426 10.285 -5.377 1.00 11.00 O ATOM 0 H GLU A 22 -13.055 8.484 -3.036 1.00 44.02 H new ATOM 0 HA GLU A 22 -10.341 9.403 -2.437 1.00 54.23 H new ATOM 0 HB2 GLU A 22 -12.964 10.547 -1.406 1.00 34.44 H new ATOM 0 HB3 GLU A 22 -11.440 11.378 -1.648 1.00 34.44 H new ATOM 0 HG2 GLU A 22 -13.363 10.427 -3.798 1.00 11.11 H new ATOM 0 HG3 GLU A 22 -13.029 12.085 -3.340 1.00 11.11 H new ATOM 338 N PHE A 23 -10.152 8.269 -0.171 1.00 2.53 N ATOM 339 CA PHE A 23 -9.976 7.788 1.214 1.00 44.00 C ATOM 340 C PHE A 23 -10.423 8.852 2.236 1.00 43.22 C ATOM 341 O PHE A 23 -9.717 9.837 2.476 1.00 60.41 O ATOM 342 CB PHE A 23 -8.507 7.377 1.476 1.00 24.51 C ATOM 343 CG PHE A 23 -8.017 6.198 0.638 1.00 12.11 C ATOM 344 CD1 PHE A 23 -8.704 4.983 0.651 1.00 1.45 C ATOM 345 CD2 PHE A 23 -6.872 6.300 -0.157 1.00 21.44 C ATOM 346 CE1 PHE A 23 -8.261 3.908 -0.108 1.00 31.20 C ATOM 347 CE2 PHE A 23 -6.435 5.228 -0.911 1.00 33.32 C ATOM 348 CZ PHE A 23 -7.127 4.031 -0.887 1.00 21.24 C ATOM 0 H PHE A 23 -9.297 8.249 -0.727 1.00 2.53 H new ATOM 0 HA PHE A 23 -10.609 6.909 1.338 1.00 44.00 H new ATOM 0 HB2 PHE A 23 -7.864 8.235 1.283 1.00 24.51 H new ATOM 0 HB3 PHE A 23 -8.396 7.127 2.531 1.00 24.51 H new ATOM 0 HD1 PHE A 23 -9.591 4.878 1.259 1.00 1.45 H new ATOM 0 HD2 PHE A 23 -6.322 7.229 -0.182 1.00 21.44 H new ATOM 0 HE1 PHE A 23 -8.804 2.974 -0.089 1.00 31.20 H new ATOM 0 HE2 PHE A 23 -5.549 5.325 -1.522 1.00 33.32 H new ATOM 0 HZ PHE A 23 -6.782 3.194 -1.476 1.00 21.24 H new ATOM 358 N ARG A 24 -11.630 8.640 2.785 1.00 2.34 N ATOM 359 CA ARG A 24 -12.239 9.503 3.813 1.00 51.13 C ATOM 360 C ARG A 24 -11.316 9.624 5.026 1.00 50.02 C ATOM 361 O ARG A 24 -10.954 10.724 5.452 1.00 0.12 O ATOM 362 CB ARG A 24 -13.608 8.907 4.257 1.00 34.03 C ATOM 363 CG ARG A 24 -14.275 9.579 5.488 1.00 0.24 C ATOM 364 CD ARG A 24 -15.595 8.898 5.893 1.00 24.44 C ATOM 365 NE ARG A 24 -16.128 9.453 7.155 1.00 70.40 N ATOM 366 CZ ARG A 24 -17.411 9.767 7.392 1.00 23.43 C ATOM 367 NH1 ARG A 24 -18.338 9.615 6.452 1.00 20.42 N ATOM 368 NH2 ARG A 24 -17.757 10.219 8.587 1.00 12.54 N ATOM 0 H ARG A 24 -12.221 7.851 2.523 1.00 2.34 H new ATOM 0 HA ARG A 24 -12.393 10.495 3.388 1.00 51.13 H new ATOM 0 HB2 ARG A 24 -14.299 8.968 3.416 1.00 34.03 H new ATOM 0 HB3 ARG A 24 -13.467 7.849 4.477 1.00 34.03 H new ATOM 0 HG2 ARG A 24 -13.584 9.553 6.330 1.00 0.24 H new ATOM 0 HG3 ARG A 24 -14.466 10.629 5.265 1.00 0.24 H new ATOM 0 HD2 ARG A 24 -16.330 9.027 5.099 1.00 24.44 H new ATOM 0 HD3 ARG A 24 -15.433 7.826 6.006 1.00 24.44 H new ATOM 0 HE ARG A 24 -15.463 9.611 7.912 1.00 70.40 H new ATOM 0 HH11 ARG A 24 -18.079 9.255 5.534 1.00 20.42 H new ATOM 0 HH12 ARG A 24 -19.309 9.859 6.649 1.00 20.42 H new ATOM 0 HH21 ARG A 24 -17.051 10.325 9.316 1.00 12.54 H new ATOM 0 HH22 ARG A 24 -18.729 10.461 8.779 1.00 12.54 H new ATOM 382 N ASP A 25 -10.915 8.459 5.539 1.00 30.14 N ATOM 383 CA ASP A 25 -10.203 8.356 6.809 1.00 53.41 C ATOM 384 C ASP A 25 -8.969 7.478 6.613 1.00 11.23 C ATOM 385 O ASP A 25 -9.065 6.250 6.507 1.00 72.22 O ATOM 386 CB ASP A 25 -11.150 7.781 7.893 1.00 65.04 C ATOM 387 CG ASP A 25 -10.627 7.978 9.327 1.00 32.13 C ATOM 388 OD1 ASP A 25 -9.685 7.274 9.727 1.00 30.43 O ATOM 389 OD2 ASP A 25 -11.175 8.832 10.056 1.00 15.00 O ATOM 0 H ASP A 25 -11.076 7.561 5.083 1.00 30.14 H new ATOM 0 HA ASP A 25 -9.876 9.340 7.145 1.00 53.41 H new ATOM 0 HB2 ASP A 25 -12.126 8.257 7.802 1.00 65.04 H new ATOM 0 HB3 ASP A 25 -11.296 6.716 7.710 1.00 65.04 H new ATOM 394 N LEU A 26 -7.826 8.153 6.542 1.00 1.44 N ATOM 395 CA LEU A 26 -6.516 7.560 6.312 1.00 53.12 C ATOM 396 C LEU A 26 -6.027 6.723 7.508 1.00 20.13 C ATOM 397 O LEU A 26 -5.179 5.841 7.337 1.00 63.01 O ATOM 398 CB LEU A 26 -5.516 8.688 5.971 1.00 51.10 C ATOM 399 CG LEU A 26 -5.710 9.364 4.575 1.00 64.33 C ATOM 400 CD1 LEU A 26 -5.562 8.333 3.434 1.00 2.14 C ATOM 401 CD2 LEU A 26 -7.025 10.178 4.446 1.00 45.21 C ATOM 0 H LEU A 26 -7.787 9.167 6.647 1.00 1.44 H new ATOM 0 HA LEU A 26 -6.592 6.865 5.476 1.00 53.12 H new ATOM 0 HB2 LEU A 26 -5.587 9.457 6.740 1.00 51.10 H new ATOM 0 HB3 LEU A 26 -4.506 8.281 6.020 1.00 51.10 H new ATOM 0 HG LEU A 26 -4.909 10.098 4.484 1.00 64.33 H new ATOM 0 HD11 LEU A 26 -5.702 8.830 2.474 1.00 2.14 H new ATOM 0 HD12 LEU A 26 -4.567 7.889 3.471 1.00 2.14 H new ATOM 0 HD13 LEU A 26 -6.313 7.551 3.550 1.00 2.14 H new ATOM 0 HD21 LEU A 26 -7.086 10.616 3.450 1.00 45.21 H new ATOM 0 HD22 LEU A 26 -7.878 9.519 4.605 1.00 45.21 H new ATOM 0 HD23 LEU A 26 -7.036 10.972 5.192 1.00 45.21 H new ATOM 413 N SER A 27 -6.587 6.995 8.701 1.00 65.23 N ATOM 414 CA SER A 27 -6.281 6.232 9.916 1.00 12.34 C ATOM 415 C SER A 27 -6.967 4.843 9.853 1.00 64.21 C ATOM 416 O SER A 27 -6.430 3.859 10.367 1.00 14.54 O ATOM 417 CB SER A 27 -6.720 7.019 11.180 1.00 34.22 C ATOM 418 OG SER A 27 -6.366 6.337 12.375 1.00 31.32 O ATOM 0 H SER A 27 -7.261 7.747 8.845 1.00 65.23 H new ATOM 0 HA SER A 27 -5.203 6.081 9.979 1.00 12.34 H new ATOM 0 HB2 SER A 27 -6.256 8.005 11.173 1.00 34.22 H new ATOM 0 HB3 SER A 27 -7.799 7.174 11.156 1.00 34.22 H new ATOM 0 HG SER A 27 -6.656 6.862 13.150 1.00 31.32 H new ATOM 424 N LYS A 28 -8.146 4.780 9.189 1.00 20.15 N ATOM 425 CA LYS A 28 -8.926 3.531 9.023 1.00 44.24 C ATOM 426 C LYS A 28 -8.686 2.889 7.635 1.00 4.54 C ATOM 427 O LYS A 28 -9.503 2.077 7.172 1.00 55.25 O ATOM 428 CB LYS A 28 -10.438 3.808 9.268 1.00 41.43 C ATOM 429 CG LYS A 28 -10.797 4.125 10.744 1.00 35.31 C ATOM 430 CD LYS A 28 -12.320 4.281 10.971 1.00 72.20 C ATOM 431 CE LYS A 28 -12.923 5.487 10.230 1.00 41.02 C ATOM 432 NZ LYS A 28 -14.408 5.540 10.352 1.00 0.11 N ATOM 0 H LYS A 28 -8.582 5.593 8.754 1.00 20.15 H new ATOM 0 HA LYS A 28 -8.582 2.812 9.767 1.00 44.24 H new ATOM 0 HB2 LYS A 28 -10.748 4.645 8.643 1.00 41.43 H new ATOM 0 HB3 LYS A 28 -11.012 2.939 8.945 1.00 41.43 H new ATOM 0 HG2 LYS A 28 -10.419 3.328 11.384 1.00 35.31 H new ATOM 0 HG3 LYS A 28 -10.293 5.043 11.046 1.00 35.31 H new ATOM 0 HD2 LYS A 28 -12.825 3.372 10.643 1.00 72.20 H new ATOM 0 HD3 LYS A 28 -12.513 4.385 12.039 1.00 72.20 H new ATOM 0 HE2 LYS A 28 -12.495 6.407 10.628 1.00 41.02 H new ATOM 0 HE3 LYS A 28 -12.649 5.438 9.176 1.00 41.02 H new ATOM 0 HZ1 LYS A 28 -14.748 6.475 10.050 1.00 0.11 H new ATOM 0 HZ2 LYS A 28 -14.832 4.806 9.749 1.00 0.11 H new ATOM 0 HZ3 LYS A 28 -14.681 5.375 11.342 1.00 0.11 H new ATOM 446 N VAL A 29 -7.575 3.263 6.971 1.00 34.14 N ATOM 447 CA VAL A 29 -7.074 2.533 5.794 1.00 12.20 C ATOM 448 C VAL A 29 -6.438 1.211 6.272 1.00 62.41 C ATOM 449 O VAL A 29 -5.299 1.188 6.757 1.00 73.24 O ATOM 450 CB VAL A 29 -6.072 3.404 4.934 1.00 74.00 C ATOM 451 CG1 VAL A 29 -5.331 2.573 3.852 1.00 10.25 C ATOM 452 CG2 VAL A 29 -6.829 4.588 4.283 1.00 1.43 C ATOM 0 H VAL A 29 -7.007 4.069 7.232 1.00 34.14 H new ATOM 0 HA VAL A 29 -7.907 2.309 5.127 1.00 12.20 H new ATOM 0 HB VAL A 29 -5.309 3.784 5.613 1.00 74.00 H new ATOM 0 HG11 VAL A 29 -4.657 3.222 3.293 1.00 10.25 H new ATOM 0 HG12 VAL A 29 -4.756 1.781 4.332 1.00 10.25 H new ATOM 0 HG13 VAL A 29 -6.058 2.132 3.171 1.00 10.25 H new ATOM 0 HG21 VAL A 29 -6.133 5.184 3.692 1.00 1.43 H new ATOM 0 HG22 VAL A 29 -7.618 4.204 3.636 1.00 1.43 H new ATOM 0 HG23 VAL A 29 -7.269 5.211 5.062 1.00 1.43 H new ATOM 462 N GLU A 30 -7.233 0.127 6.193 1.00 53.40 N ATOM 463 CA GLU A 30 -6.814 -1.218 6.605 1.00 64.53 C ATOM 464 C GLU A 30 -5.988 -1.869 5.484 1.00 61.01 C ATOM 465 O GLU A 30 -6.533 -2.284 4.452 1.00 11.44 O ATOM 466 CB GLU A 30 -8.040 -2.108 6.944 1.00 74.34 C ATOM 467 CG GLU A 30 -7.667 -3.530 7.431 1.00 45.10 C ATOM 468 CD GLU A 30 -8.886 -4.434 7.682 1.00 72.11 C ATOM 469 OE1 GLU A 30 -9.527 -4.319 8.745 1.00 32.03 O ATOM 470 OE2 GLU A 30 -9.202 -5.273 6.814 1.00 33.33 O ATOM 0 H GLU A 30 -8.189 0.165 5.839 1.00 53.40 H new ATOM 0 HA GLU A 30 -6.204 -1.127 7.503 1.00 64.53 H new ATOM 0 HB2 GLU A 30 -8.633 -1.615 7.714 1.00 74.34 H new ATOM 0 HB3 GLU A 30 -8.672 -2.191 6.060 1.00 74.34 H new ATOM 0 HG2 GLU A 30 -7.022 -4.001 6.690 1.00 45.10 H new ATOM 0 HG3 GLU A 30 -7.089 -3.450 8.352 1.00 45.10 H new ATOM 477 N PHE A 31 -4.674 -1.934 5.689 1.00 15.42 N ATOM 478 CA PHE A 31 -3.752 -2.598 4.765 1.00 23.33 C ATOM 479 C PHE A 31 -3.918 -4.120 4.917 1.00 2.44 C ATOM 480 O PHE A 31 -3.558 -4.691 5.959 1.00 70.23 O ATOM 481 CB PHE A 31 -2.299 -2.149 5.050 1.00 50.10 C ATOM 482 CG PHE A 31 -2.083 -0.644 4.871 1.00 10.33 C ATOM 483 CD1 PHE A 31 -1.710 -0.120 3.633 1.00 22.41 C ATOM 484 CD2 PHE A 31 -2.271 0.248 5.932 1.00 41.45 C ATOM 485 CE1 PHE A 31 -1.533 1.237 3.459 1.00 13.22 C ATOM 486 CE2 PHE A 31 -2.090 1.607 5.754 1.00 13.34 C ATOM 487 CZ PHE A 31 -1.724 2.097 4.516 1.00 24.04 C ATOM 0 H PHE A 31 -4.215 -1.526 6.504 1.00 15.42 H new ATOM 0 HA PHE A 31 -3.979 -2.321 3.735 1.00 23.33 H new ATOM 0 HB2 PHE A 31 -2.033 -2.428 6.070 1.00 50.10 H new ATOM 0 HB3 PHE A 31 -1.623 -2.687 4.386 1.00 50.10 H new ATOM 0 HD1 PHE A 31 -1.557 -0.787 2.798 1.00 22.41 H new ATOM 0 HD2 PHE A 31 -2.561 -0.129 6.902 1.00 41.45 H new ATOM 0 HE1 PHE A 31 -1.244 1.624 2.493 1.00 13.22 H new ATOM 0 HE2 PHE A 31 -2.235 2.285 6.582 1.00 13.34 H new ATOM 0 HZ PHE A 31 -1.587 3.159 4.377 1.00 24.04 H new ATOM 497 N VAL A 32 -4.511 -4.740 3.885 1.00 3.22 N ATOM 498 CA VAL A 32 -4.784 -6.191 3.835 1.00 14.32 C ATOM 499 C VAL A 32 -3.471 -7.000 3.947 1.00 61.33 C ATOM 500 O VAL A 32 -3.439 -8.085 4.549 1.00 13.14 O ATOM 501 CB VAL A 32 -5.552 -6.564 2.509 1.00 50.43 C ATOM 502 CG1 VAL A 32 -5.860 -8.081 2.412 1.00 51.20 C ATOM 503 CG2 VAL A 32 -6.838 -5.712 2.355 1.00 61.44 C ATOM 0 H VAL A 32 -4.820 -4.244 3.049 1.00 3.22 H new ATOM 0 HA VAL A 32 -5.417 -6.448 4.685 1.00 14.32 H new ATOM 0 HB VAL A 32 -4.889 -6.329 1.677 1.00 50.43 H new ATOM 0 HG11 VAL A 32 -6.389 -8.286 1.481 1.00 51.20 H new ATOM 0 HG12 VAL A 32 -4.927 -8.644 2.430 1.00 51.20 H new ATOM 0 HG13 VAL A 32 -6.481 -8.381 3.256 1.00 51.20 H new ATOM 0 HG21 VAL A 32 -7.349 -5.988 1.433 1.00 61.44 H new ATOM 0 HG22 VAL A 32 -7.498 -5.892 3.204 1.00 61.44 H new ATOM 0 HG23 VAL A 32 -6.572 -4.655 2.320 1.00 61.44 H new ATOM 513 N GLY A 33 -2.395 -6.444 3.369 1.00 52.32 N ATOM 514 CA GLY A 33 -1.048 -6.992 3.511 1.00 72.32 C ATOM 515 C GLY A 33 -0.350 -7.116 2.168 1.00 35.22 C ATOM 516 O GLY A 33 -0.506 -6.254 1.294 1.00 73.31 O ATOM 0 H GLY A 33 -2.440 -5.604 2.792 1.00 52.32 H new ATOM 0 HA2 GLY A 33 -0.461 -6.351 4.169 1.00 72.32 H new ATOM 0 HA3 GLY A 33 -1.101 -7.972 3.986 1.00 72.32 H new ATOM 520 N ALA A 34 0.429 -8.185 2.017 1.00 60.34 N ATOM 521 CA ALA A 34 1.122 -8.529 0.773 1.00 12.15 C ATOM 522 C ALA A 34 1.409 -10.036 0.791 1.00 43.21 C ATOM 523 O ALA A 34 1.745 -10.589 1.844 1.00 21.20 O ATOM 524 CB ALA A 34 2.422 -7.723 0.644 1.00 31.02 C ATOM 0 H ALA A 34 0.601 -8.851 2.770 1.00 60.34 H new ATOM 0 HA ALA A 34 0.500 -8.283 -0.088 1.00 12.15 H new ATOM 0 HB1 ALA A 34 2.925 -7.990 -0.285 1.00 31.02 H new ATOM 0 HB2 ALA A 34 2.191 -6.658 0.638 1.00 31.02 H new ATOM 0 HB3 ALA A 34 3.075 -7.948 1.487 1.00 31.02 H new ATOM 530 N TYR A 35 1.265 -10.692 -0.362 1.00 35.34 N ATOM 531 CA TYR A 35 1.362 -12.162 -0.487 1.00 54.41 C ATOM 532 C TYR A 35 2.657 -12.557 -1.223 1.00 3.44 C ATOM 533 O TYR A 35 3.255 -11.711 -1.874 1.00 20.14 O ATOM 534 CB TYR A 35 0.090 -12.667 -1.227 1.00 21.42 C ATOM 535 CG TYR A 35 -1.167 -12.626 -0.346 1.00 42.44 C ATOM 536 CD1 TYR A 35 -1.833 -11.426 -0.084 1.00 73.20 C ATOM 537 CD2 TYR A 35 -1.666 -13.787 0.256 1.00 41.21 C ATOM 538 CE1 TYR A 35 -2.945 -11.391 0.737 1.00 52.21 C ATOM 539 CE2 TYR A 35 -2.777 -13.749 1.080 1.00 41.55 C ATOM 540 CZ TYR A 35 -3.409 -12.552 1.316 1.00 43.11 C ATOM 541 OH TYR A 35 -4.522 -12.509 2.134 1.00 42.12 O ATOM 0 H TYR A 35 1.076 -10.221 -1.247 1.00 35.34 H new ATOM 0 HA TYR A 35 1.410 -12.630 0.496 1.00 54.41 H new ATOM 0 HB2 TYR A 35 -0.074 -12.057 -2.115 1.00 21.42 H new ATOM 0 HB3 TYR A 35 0.256 -13.689 -1.568 1.00 21.42 H new ATOM 0 HD1 TYR A 35 -1.473 -10.511 -0.530 1.00 73.20 H new ATOM 0 HD2 TYR A 35 -1.174 -14.731 0.074 1.00 41.21 H new ATOM 0 HE1 TYR A 35 -3.449 -10.455 0.924 1.00 52.21 H new ATOM 0 HE2 TYR A 35 -3.146 -14.656 1.536 1.00 41.55 H new ATOM 0 HH TYR A 35 -4.721 -13.410 2.463 1.00 42.12 H new ATOM 551 N PRO A 36 3.129 -13.848 -1.139 1.00 72.54 N ATOM 552 CA PRO A 36 4.351 -14.289 -1.874 1.00 73.42 C ATOM 553 C PRO A 36 4.123 -14.418 -3.399 1.00 42.13 C ATOM 554 O PRO A 36 5.074 -14.645 -4.157 1.00 70.32 O ATOM 555 CB PRO A 36 4.657 -15.661 -1.231 1.00 73.53 C ATOM 556 CG PRO A 36 3.316 -16.180 -0.818 1.00 61.42 C ATOM 557 CD PRO A 36 2.551 -14.966 -0.326 1.00 62.22 C ATOM 0 HA PRO A 36 5.167 -13.571 -1.792 1.00 73.42 H new ATOM 0 HB2 PRO A 36 5.143 -16.333 -1.938 1.00 73.53 H new ATOM 0 HB3 PRO A 36 5.326 -15.560 -0.376 1.00 73.53 H new ATOM 0 HG2 PRO A 36 2.804 -16.655 -1.654 1.00 61.42 H new ATOM 0 HG3 PRO A 36 3.409 -16.931 -0.033 1.00 61.42 H new ATOM 0 HD2 PRO A 36 1.479 -15.071 -0.490 1.00 62.22 H new ATOM 0 HD3 PRO A 36 2.695 -14.804 0.742 1.00 62.22 H new ATOM 565 N SER A 37 2.860 -14.253 -3.829 1.00 61.20 N ATOM 566 CA SER A 37 2.442 -14.465 -5.213 1.00 13.02 C ATOM 567 C SER A 37 1.307 -13.493 -5.569 1.00 60.54 C ATOM 568 O SER A 37 0.377 -13.288 -4.768 1.00 5.01 O ATOM 569 CB SER A 37 1.991 -15.930 -5.400 1.00 14.14 C ATOM 570 OG SER A 37 1.514 -16.175 -6.714 1.00 31.33 O ATOM 0 H SER A 37 2.098 -13.966 -3.214 1.00 61.20 H new ATOM 0 HA SER A 37 3.281 -14.273 -5.882 1.00 13.02 H new ATOM 0 HB2 SER A 37 2.827 -16.597 -5.187 1.00 14.14 H new ATOM 0 HB3 SER A 37 1.206 -16.163 -4.680 1.00 14.14 H new ATOM 0 HG SER A 37 1.240 -17.113 -6.793 1.00 31.33 H new ATOM 576 N TYR A 38 1.416 -12.889 -6.769 1.00 11.53 N ATOM 577 CA TYR A 38 0.418 -11.955 -7.320 1.00 43.11 C ATOM 578 C TYR A 38 -0.985 -12.581 -7.399 1.00 42.22 C ATOM 579 O TYR A 38 -1.980 -11.893 -7.159 1.00 60.44 O ATOM 580 CB TYR A 38 0.880 -11.461 -8.722 1.00 15.02 C ATOM 581 CG TYR A 38 -0.192 -10.719 -9.544 1.00 71.25 C ATOM 582 CD1 TYR A 38 -0.753 -9.522 -9.098 1.00 11.32 C ATOM 583 CD2 TYR A 38 -0.656 -11.232 -10.762 1.00 1.13 C ATOM 584 CE1 TYR A 38 -1.733 -8.872 -9.829 1.00 21.32 C ATOM 585 CE2 TYR A 38 -1.631 -10.579 -11.493 1.00 71.32 C ATOM 586 CZ TYR A 38 -2.167 -9.404 -11.018 1.00 13.12 C ATOM 587 OH TYR A 38 -3.138 -8.746 -11.740 1.00 44.50 O ATOM 0 H TYR A 38 2.211 -13.039 -7.390 1.00 11.53 H new ATOM 0 HA TYR A 38 0.345 -11.105 -6.641 1.00 43.11 H new ATOM 0 HB2 TYR A 38 1.737 -10.800 -8.592 1.00 15.02 H new ATOM 0 HB3 TYR A 38 1.225 -12.321 -9.297 1.00 15.02 H new ATOM 0 HD1 TYR A 38 -0.417 -9.094 -8.165 1.00 11.32 H new ATOM 0 HD2 TYR A 38 -0.244 -12.157 -11.138 1.00 1.13 H new ATOM 0 HE1 TYR A 38 -2.156 -7.947 -9.464 1.00 21.32 H new ATOM 0 HE2 TYR A 38 -1.970 -10.989 -12.433 1.00 71.32 H new ATOM 0 HH TYR A 38 -3.335 -9.249 -12.557 1.00 44.50 H new ATOM 597 N ASP A 39 -1.040 -13.882 -7.735 1.00 71.13 N ATOM 598 CA ASP A 39 -2.304 -14.633 -7.877 1.00 31.21 C ATOM 599 C ASP A 39 -3.051 -14.710 -6.522 1.00 43.04 C ATOM 600 O ASP A 39 -4.285 -14.641 -6.474 1.00 3.02 O ATOM 601 CB ASP A 39 -2.009 -16.053 -8.431 1.00 72.23 C ATOM 602 CG ASP A 39 -3.283 -16.841 -8.782 1.00 73.22 C ATOM 603 OD1 ASP A 39 -3.833 -16.638 -9.889 1.00 12.40 O ATOM 604 OD2 ASP A 39 -3.749 -17.660 -7.963 1.00 32.13 O ATOM 0 H ASP A 39 -0.209 -14.445 -7.916 1.00 71.13 H new ATOM 0 HA ASP A 39 -2.951 -14.110 -8.581 1.00 31.21 H new ATOM 0 HB2 ASP A 39 -1.386 -15.967 -9.321 1.00 72.23 H new ATOM 0 HB3 ASP A 39 -1.435 -16.613 -7.692 1.00 72.23 H new ATOM 609 N GLU A 40 -2.263 -14.811 -5.425 1.00 15.25 N ATOM 610 CA GLU A 40 -2.795 -14.868 -4.048 1.00 40.40 C ATOM 611 C GLU A 40 -3.329 -13.488 -3.615 1.00 61.33 C ATOM 612 O GLU A 40 -4.327 -13.402 -2.887 1.00 24.43 O ATOM 613 CB GLU A 40 -1.710 -15.347 -3.044 1.00 41.23 C ATOM 614 CG GLU A 40 -1.024 -16.680 -3.402 1.00 42.14 C ATOM 615 CD GLU A 40 -2.002 -17.838 -3.664 1.00 52.23 C ATOM 616 OE1 GLU A 40 -2.666 -18.299 -2.710 1.00 33.14 O ATOM 617 OE2 GLU A 40 -2.109 -18.298 -4.819 1.00 52.35 O ATOM 0 H GLU A 40 -1.245 -14.855 -5.472 1.00 15.25 H new ATOM 0 HA GLU A 40 -3.614 -15.587 -4.042 1.00 40.40 H new ATOM 0 HB2 GLU A 40 -0.946 -14.574 -2.964 1.00 41.23 H new ATOM 0 HB3 GLU A 40 -2.168 -15.446 -2.060 1.00 41.23 H new ATOM 0 HG2 GLU A 40 -0.407 -16.532 -4.288 1.00 42.14 H new ATOM 0 HG3 GLU A 40 -0.354 -16.961 -2.590 1.00 42.14 H new ATOM 624 N ALA A 41 -2.655 -12.408 -4.075 1.00 11.23 N ATOM 625 CA ALA A 41 -3.057 -11.030 -3.774 1.00 25.21 C ATOM 626 C ALA A 41 -4.299 -10.637 -4.599 1.00 63.44 C ATOM 627 O ALA A 41 -5.165 -9.887 -4.136 1.00 2.42 O ATOM 628 CB ALA A 41 -1.878 -10.091 -4.046 1.00 24.35 C ATOM 0 H ALA A 41 -1.823 -12.475 -4.661 1.00 11.23 H new ATOM 0 HA ALA A 41 -3.330 -10.948 -2.722 1.00 25.21 H new ATOM 0 HB1 ALA A 41 -2.171 -9.065 -3.824 1.00 24.35 H new ATOM 0 HB2 ALA A 41 -1.035 -10.372 -3.414 1.00 24.35 H new ATOM 0 HB3 ALA A 41 -1.587 -10.166 -5.094 1.00 24.35 H new ATOM 634 N HIS A 42 -4.388 -11.209 -5.811 1.00 54.33 N ATOM 635 CA HIS A 42 -5.531 -11.023 -6.711 1.00 54.01 C ATOM 636 C HIS A 42 -6.795 -11.637 -6.076 1.00 35.11 C ATOM 637 O HIS A 42 -7.868 -11.041 -6.126 1.00 13.24 O ATOM 638 CB HIS A 42 -5.226 -11.655 -8.103 1.00 51.34 C ATOM 639 CG HIS A 42 -6.288 -11.466 -9.164 1.00 3.43 C ATOM 640 ND1 HIS A 42 -6.243 -12.111 -10.384 1.00 65.02 N ATOM 641 CD2 HIS A 42 -7.418 -10.713 -9.199 1.00 21.01 C ATOM 642 CE1 HIS A 42 -7.287 -11.761 -11.109 1.00 24.33 C ATOM 643 NE2 HIS A 42 -8.012 -10.921 -10.414 1.00 12.35 N ATOM 0 H HIS A 42 -3.663 -11.816 -6.193 1.00 54.33 H new ATOM 0 HA HIS A 42 -5.709 -9.958 -6.863 1.00 54.01 H new ATOM 0 HB2 HIS A 42 -4.291 -11.235 -8.474 1.00 51.34 H new ATOM 0 HB3 HIS A 42 -5.063 -12.724 -7.967 1.00 51.34 H new ATOM 0 HD1 HIS A 42 -5.513 -12.759 -10.679 1.00 65.02 H new ATOM 0 HD2 HIS A 42 -7.781 -10.068 -8.412 1.00 21.01 H new ATOM 0 HE1 HIS A 42 -7.507 -12.109 -12.108 1.00 24.33 H new ATOM 652 N LYS A 43 -6.632 -12.810 -5.445 1.00 54.54 N ATOM 653 CA LYS A 43 -7.736 -13.540 -4.798 1.00 53.14 C ATOM 654 C LYS A 43 -8.160 -12.844 -3.487 1.00 41.45 C ATOM 655 O LYS A 43 -9.351 -12.812 -3.138 1.00 22.14 O ATOM 656 CB LYS A 43 -7.293 -15.000 -4.499 1.00 23.42 C ATOM 657 CG LYS A 43 -8.455 -15.959 -4.158 1.00 45.42 C ATOM 658 CD LYS A 43 -9.392 -16.193 -5.365 1.00 3.25 C ATOM 659 CE LYS A 43 -8.686 -16.931 -6.523 1.00 41.51 C ATOM 660 NZ LYS A 43 -9.563 -17.055 -7.722 1.00 54.42 N ATOM 0 H LYS A 43 -5.730 -13.281 -5.368 1.00 54.54 H new ATOM 0 HA LYS A 43 -8.590 -13.548 -5.475 1.00 53.14 H new ATOM 0 HB2 LYS A 43 -6.758 -15.390 -5.365 1.00 23.42 H new ATOM 0 HB3 LYS A 43 -6.589 -14.991 -3.667 1.00 23.42 H new ATOM 0 HG2 LYS A 43 -8.050 -16.914 -3.824 1.00 45.42 H new ATOM 0 HG3 LYS A 43 -9.030 -15.549 -3.328 1.00 45.42 H new ATOM 0 HD2 LYS A 43 -10.258 -16.772 -5.043 1.00 3.25 H new ATOM 0 HD3 LYS A 43 -9.765 -15.234 -5.723 1.00 3.25 H new ATOM 0 HE2 LYS A 43 -7.776 -16.395 -6.793 1.00 41.51 H new ATOM 0 HE3 LYS A 43 -8.384 -17.924 -6.190 1.00 41.51 H new ATOM 0 HZ1 LYS A 43 -9.051 -17.556 -8.476 1.00 54.42 H new ATOM 0 HZ2 LYS A 43 -10.420 -17.588 -7.472 1.00 54.42 H new ATOM 0 HZ3 LYS A 43 -9.830 -16.107 -8.056 1.00 54.42 H new ATOM 674 N ALA A 44 -7.152 -12.274 -2.786 1.00 64.21 N ATOM 675 CA ALA A 44 -7.327 -11.607 -1.479 1.00 23.42 C ATOM 676 C ALA A 44 -8.320 -10.437 -1.544 1.00 61.34 C ATOM 677 O ALA A 44 -9.006 -10.160 -0.564 1.00 52.35 O ATOM 678 CB ALA A 44 -5.980 -11.112 -0.955 1.00 20.11 C ATOM 0 H ALA A 44 -6.187 -12.265 -3.117 1.00 64.21 H new ATOM 0 HA ALA A 44 -7.741 -12.349 -0.796 1.00 23.42 H new ATOM 0 HB1 ALA A 44 -6.122 -10.622 0.008 1.00 20.11 H new ATOM 0 HB2 ALA A 44 -5.303 -11.958 -0.836 1.00 20.11 H new ATOM 0 HB3 ALA A 44 -5.553 -10.402 -1.663 1.00 20.11 H new ATOM 684 N TRP A 45 -8.375 -9.770 -2.714 1.00 41.43 N ATOM 685 CA TRP A 45 -9.311 -8.662 -2.994 1.00 23.43 C ATOM 686 C TRP A 45 -10.780 -9.078 -2.710 1.00 53.22 C ATOM 687 O TRP A 45 -11.499 -8.379 -1.991 1.00 52.21 O ATOM 688 CB TRP A 45 -9.094 -8.177 -4.478 1.00 52.13 C ATOM 689 CG TRP A 45 -10.356 -7.889 -5.283 1.00 42.35 C ATOM 690 CD1 TRP A 45 -11.105 -6.739 -5.296 1.00 53.52 C ATOM 691 CD2 TRP A 45 -11.015 -8.801 -6.184 1.00 71.13 C ATOM 692 NE1 TRP A 45 -12.163 -6.885 -6.164 1.00 22.54 N ATOM 693 CE2 TRP A 45 -12.137 -8.140 -6.708 1.00 2.53 C ATOM 694 CE3 TRP A 45 -10.752 -10.119 -6.600 1.00 32.52 C ATOM 695 CZ2 TRP A 45 -12.994 -8.748 -7.621 1.00 12.24 C ATOM 696 CZ3 TRP A 45 -11.600 -10.717 -7.501 1.00 32.42 C ATOM 697 CH2 TRP A 45 -12.706 -10.035 -8.004 1.00 43.50 C ATOM 0 H TRP A 45 -7.763 -9.988 -3.501 1.00 41.43 H new ATOM 0 HA TRP A 45 -9.106 -7.827 -2.325 1.00 23.43 H new ATOM 0 HB2 TRP A 45 -8.487 -7.272 -4.457 1.00 52.13 H new ATOM 0 HB3 TRP A 45 -8.517 -8.936 -5.006 1.00 52.13 H new ATOM 0 HD1 TRP A 45 -10.896 -5.854 -4.714 1.00 53.52 H new ATOM 0 HE1 TRP A 45 -12.859 -6.168 -6.370 1.00 22.54 H new ATOM 0 HE3 TRP A 45 -9.895 -10.653 -6.217 1.00 32.52 H new ATOM 0 HZ2 TRP A 45 -13.854 -8.226 -8.014 1.00 12.24 H new ATOM 0 HZ3 TRP A 45 -11.407 -11.729 -7.824 1.00 32.42 H new ATOM 0 HH2 TRP A 45 -13.353 -10.531 -8.713 1.00 43.50 H new ATOM 708 N LYS A 46 -11.202 -10.237 -3.262 1.00 22.31 N ATOM 709 CA LYS A 46 -12.600 -10.720 -3.141 1.00 22.41 C ATOM 710 C LYS A 46 -12.816 -11.460 -1.820 1.00 53.35 C ATOM 711 O LYS A 46 -13.917 -11.428 -1.267 1.00 22.44 O ATOM 712 CB LYS A 46 -12.988 -11.601 -4.357 1.00 12.13 C ATOM 713 CG LYS A 46 -14.331 -12.373 -4.232 1.00 61.35 C ATOM 714 CD LYS A 46 -14.954 -12.770 -5.590 1.00 64.22 C ATOM 715 CE LYS A 46 -15.551 -11.558 -6.323 1.00 2.13 C ATOM 716 NZ LYS A 46 -16.202 -11.944 -7.601 1.00 61.05 N ATOM 0 H LYS A 46 -10.595 -10.858 -3.797 1.00 22.31 H new ATOM 0 HA LYS A 46 -13.258 -9.851 -3.139 1.00 22.41 H new ATOM 0 HB2 LYS A 46 -13.037 -10.965 -5.241 1.00 12.13 H new ATOM 0 HB3 LYS A 46 -12.190 -12.324 -4.528 1.00 12.13 H new ATOM 0 HG2 LYS A 46 -14.167 -13.274 -3.641 1.00 61.35 H new ATOM 0 HG3 LYS A 46 -15.043 -11.757 -3.683 1.00 61.35 H new ATOM 0 HD2 LYS A 46 -14.193 -13.234 -6.217 1.00 64.22 H new ATOM 0 HD3 LYS A 46 -15.732 -13.516 -5.428 1.00 64.22 H new ATOM 0 HE2 LYS A 46 -16.281 -11.068 -5.678 1.00 2.13 H new ATOM 0 HE3 LYS A 46 -14.763 -10.831 -6.523 1.00 2.13 H new ATOM 0 HZ1 LYS A 46 -16.591 -11.097 -8.062 1.00 61.05 H new ATOM 0 HZ2 LYS A 46 -15.501 -12.388 -8.227 1.00 61.05 H new ATOM 0 HZ3 LYS A 46 -16.971 -12.618 -7.409 1.00 61.05 H new ATOM 730 N ALA A 47 -11.746 -12.097 -1.310 1.00 51.44 N ATOM 731 CA ALA A 47 -11.749 -12.724 0.022 1.00 54.31 C ATOM 732 C ALA A 47 -12.128 -11.684 1.093 1.00 40.43 C ATOM 733 O ALA A 47 -12.914 -11.959 1.994 1.00 11.42 O ATOM 734 CB ALA A 47 -10.377 -13.350 0.325 1.00 12.02 C ATOM 0 H ALA A 47 -10.860 -12.191 -1.807 1.00 51.44 H new ATOM 0 HA ALA A 47 -12.493 -13.521 0.036 1.00 54.31 H new ATOM 0 HB1 ALA A 47 -10.397 -13.809 1.313 1.00 12.02 H new ATOM 0 HB2 ALA A 47 -10.150 -14.109 -0.423 1.00 12.02 H new ATOM 0 HB3 ALA A 47 -9.610 -12.576 0.300 1.00 12.02 H new ATOM 740 N LYS A 48 -11.604 -10.463 0.912 1.00 2.43 N ATOM 741 CA LYS A 48 -11.888 -9.325 1.789 1.00 40.12 C ATOM 742 C LYS A 48 -13.261 -8.727 1.479 1.00 74.55 C ATOM 743 O LYS A 48 -14.050 -8.532 2.384 1.00 51.33 O ATOM 744 CB LYS A 48 -10.784 -8.248 1.640 1.00 73.14 C ATOM 745 CG LYS A 48 -9.406 -8.691 2.161 1.00 4.41 C ATOM 746 CD LYS A 48 -9.385 -8.973 3.677 1.00 3.44 C ATOM 747 CE LYS A 48 -9.693 -7.728 4.509 1.00 22.22 C ATOM 748 NZ LYS A 48 -9.509 -7.981 5.962 1.00 3.11 N ATOM 0 H LYS A 48 -10.967 -10.239 0.147 1.00 2.43 H new ATOM 0 HA LYS A 48 -11.898 -9.680 2.820 1.00 40.12 H new ATOM 0 HB2 LYS A 48 -10.694 -7.977 0.588 1.00 73.14 H new ATOM 0 HB3 LYS A 48 -11.092 -7.350 2.175 1.00 73.14 H new ATOM 0 HG2 LYS A 48 -9.096 -9.590 1.628 1.00 4.41 H new ATOM 0 HG3 LYS A 48 -8.674 -7.917 1.933 1.00 4.41 H new ATOM 0 HD2 LYS A 48 -10.113 -9.750 3.909 1.00 3.44 H new ATOM 0 HD3 LYS A 48 -8.406 -9.360 3.958 1.00 3.44 H new ATOM 0 HE2 LYS A 48 -9.043 -6.911 4.196 1.00 22.22 H new ATOM 0 HE3 LYS A 48 -10.718 -7.409 4.322 1.00 22.22 H new ATOM 0 HZ1 LYS A 48 -9.373 -7.077 6.457 1.00 3.11 H new ATOM 0 HZ2 LYS A 48 -10.351 -8.460 6.340 1.00 3.11 H new ATOM 0 HZ3 LYS A 48 -8.674 -8.583 6.106 1.00 3.11 H new ATOM 762 N ALA A 49 -13.534 -8.478 0.184 1.00 70.13 N ATOM 763 CA ALA A 49 -14.773 -7.803 -0.271 1.00 22.31 C ATOM 764 C ALA A 49 -16.049 -8.533 0.207 1.00 41.41 C ATOM 765 O ALA A 49 -17.017 -7.896 0.648 1.00 35.11 O ATOM 766 CB ALA A 49 -14.769 -7.664 -1.800 1.00 32.23 C ATOM 0 H ALA A 49 -12.906 -8.737 -0.577 1.00 70.13 H new ATOM 0 HA ALA A 49 -14.788 -6.810 0.179 1.00 22.31 H new ATOM 0 HB1 ALA A 49 -15.684 -7.167 -2.123 1.00 32.23 H new ATOM 0 HB2 ALA A 49 -13.907 -7.073 -2.109 1.00 32.23 H new ATOM 0 HB3 ALA A 49 -14.714 -8.653 -2.255 1.00 32.23 H new ATOM 772 N GLN A 50 -16.023 -9.873 0.124 1.00 24.32 N ATOM 773 CA GLN A 50 -17.111 -10.738 0.615 1.00 24.11 C ATOM 774 C GLN A 50 -17.169 -10.716 2.147 1.00 13.21 C ATOM 775 O GLN A 50 -18.254 -10.643 2.732 1.00 32.43 O ATOM 776 CB GLN A 50 -16.908 -12.189 0.119 1.00 25.31 C ATOM 777 CG GLN A 50 -17.075 -12.380 -1.395 1.00 20.22 C ATOM 778 CD GLN A 50 -16.744 -13.796 -1.882 1.00 42.45 C ATOM 779 OE1 GLN A 50 -15.729 -14.429 -1.291 1.00 24.34 O flip ATOM 780 NE2 GLN A 50 -17.363 -14.299 -2.819 1.00 22.34 N flip ATOM 0 H GLN A 50 -15.245 -10.390 -0.286 1.00 24.32 H new ATOM 0 HA GLN A 50 -18.054 -10.356 0.223 1.00 24.11 H new ATOM 0 HB2 GLN A 50 -15.910 -12.520 0.405 1.00 25.31 H new ATOM 0 HB3 GLN A 50 -17.618 -12.837 0.633 1.00 25.31 H new ATOM 0 HG2 GLN A 50 -18.103 -12.142 -1.670 1.00 20.22 H new ATOM 0 HG3 GLN A 50 -16.433 -11.668 -1.914 1.00 20.22 H new ATOM 0 HE21 GLN A 50 -18.135 -13.791 -3.251 1.00 22.34 H new ATOM 0 HE22 GLN A 50 -17.104 -15.224 -3.163 1.00 22.34 H new ATOM 789 N ALA A 51 -15.981 -10.759 2.777 1.00 10.34 N ATOM 790 CA ALA A 51 -15.856 -10.771 4.248 1.00 3.53 C ATOM 791 C ALA A 51 -16.433 -9.483 4.861 1.00 44.31 C ATOM 792 O ALA A 51 -17.127 -9.518 5.878 1.00 11.33 O ATOM 793 CB ALA A 51 -14.382 -10.949 4.662 1.00 44.20 C ATOM 0 H ALA A 51 -15.087 -10.786 2.287 1.00 10.34 H new ATOM 0 HA ALA A 51 -16.431 -11.615 4.629 1.00 3.53 H new ATOM 0 HB1 ALA A 51 -14.308 -10.956 5.749 1.00 44.20 H new ATOM 0 HB2 ALA A 51 -14.004 -11.892 4.267 1.00 44.20 H new ATOM 0 HB3 ALA A 51 -13.790 -10.125 4.263 1.00 44.20 H new ATOM 799 N THR A 52 -16.192 -8.359 4.169 1.00 22.03 N ATOM 800 CA THR A 52 -16.405 -7.006 4.699 1.00 22.13 C ATOM 801 C THR A 52 -17.735 -6.405 4.216 1.00 34.23 C ATOM 802 O THR A 52 -17.823 -5.215 3.894 1.00 31.13 O ATOM 803 CB THR A 52 -15.192 -6.105 4.303 1.00 11.45 C ATOM 804 OG1 THR A 52 -15.046 -6.052 2.872 1.00 44.22 O ATOM 805 CG2 THR A 52 -13.887 -6.621 4.940 1.00 72.21 C ATOM 0 H THR A 52 -15.839 -8.366 3.212 1.00 22.03 H new ATOM 0 HA THR A 52 -16.471 -7.060 5.786 1.00 22.13 H new ATOM 0 HB THR A 52 -15.389 -5.101 4.679 1.00 11.45 H new ATOM 0 HG1 THR A 52 -14.684 -6.903 2.548 1.00 44.22 H new ATOM 0 HG21 THR A 52 -13.059 -5.975 4.648 1.00 72.21 H new ATOM 0 HG22 THR A 52 -13.985 -6.616 6.026 1.00 72.21 H new ATOM 0 HG23 THR A 52 -13.692 -7.638 4.598 1.00 72.21 H new ATOM 813 N VAL A 53 -18.788 -7.243 4.216 1.00 43.45 N ATOM 814 CA VAL A 53 -20.179 -6.791 3.986 1.00 52.12 C ATOM 815 C VAL A 53 -20.648 -5.826 5.102 1.00 63.04 C ATOM 816 O VAL A 53 -21.537 -5.002 4.891 1.00 10.42 O ATOM 817 CB VAL A 53 -21.177 -8.005 3.877 1.00 41.13 C ATOM 818 CG1 VAL A 53 -20.924 -8.817 2.586 1.00 12.41 C ATOM 819 CG2 VAL A 53 -21.121 -8.905 5.137 1.00 35.54 C ATOM 0 H VAL A 53 -18.703 -8.247 4.374 1.00 43.45 H new ATOM 0 HA VAL A 53 -20.183 -6.258 3.035 1.00 52.12 H new ATOM 0 HB VAL A 53 -22.187 -7.599 3.820 1.00 41.13 H new ATOM 0 HG11 VAL A 53 -21.626 -9.649 2.536 1.00 12.41 H new ATOM 0 HG12 VAL A 53 -21.062 -8.173 1.718 1.00 12.41 H new ATOM 0 HG13 VAL A 53 -19.905 -9.203 2.593 1.00 12.41 H new ATOM 0 HG21 VAL A 53 -21.823 -9.732 5.025 1.00 35.54 H new ATOM 0 HG22 VAL A 53 -20.112 -9.299 5.258 1.00 35.54 H new ATOM 0 HG23 VAL A 53 -21.389 -8.318 6.016 1.00 35.54 H new ATOM 829 N ASP A 54 -20.019 -5.960 6.280 1.00 13.23 N ATOM 830 CA ASP A 54 -20.246 -5.090 7.455 1.00 64.51 C ATOM 831 C ASP A 54 -19.764 -3.647 7.204 1.00 40.10 C ATOM 832 O ASP A 54 -20.318 -2.699 7.762 1.00 42.50 O ATOM 833 CB ASP A 54 -19.512 -5.684 8.684 1.00 2.02 C ATOM 834 CG ASP A 54 -20.037 -7.074 9.073 1.00 32.24 C ATOM 835 OD1 ASP A 54 -19.713 -8.059 8.375 1.00 3.50 O ATOM 836 OD2 ASP A 54 -20.788 -7.189 10.063 1.00 64.23 O ATOM 0 H ASP A 54 -19.325 -6.688 6.450 1.00 13.23 H new ATOM 0 HA ASP A 54 -21.319 -5.050 7.642 1.00 64.51 H new ATOM 0 HB2 ASP A 54 -18.446 -5.750 8.468 1.00 2.02 H new ATOM 0 HB3 ASP A 54 -19.624 -5.007 9.531 1.00 2.02 H new ATOM 841 N ASN A 55 -18.730 -3.511 6.361 1.00 22.31 N ATOM 842 CA ASN A 55 -18.093 -2.215 6.060 1.00 52.41 C ATOM 843 C ASN A 55 -18.967 -1.367 5.120 1.00 72.33 C ATOM 844 O ASN A 55 -19.348 -1.822 4.036 1.00 32.40 O ATOM 845 CB ASN A 55 -16.693 -2.439 5.444 1.00 60.12 C ATOM 846 CG ASN A 55 -15.689 -2.979 6.466 1.00 1.34 C ATOM 847 OD1 ASN A 55 -15.630 -4.175 6.718 1.00 2.42 O ATOM 848 ND2 ASN A 55 -14.886 -2.109 7.061 1.00 4.21 N ATOM 0 H ASN A 55 -18.309 -4.297 5.866 1.00 22.31 H new ATOM 0 HA ASN A 55 -17.983 -1.666 6.996 1.00 52.41 H new ATOM 0 HB2 ASN A 55 -16.772 -3.138 4.611 1.00 60.12 H new ATOM 0 HB3 ASN A 55 -16.323 -1.498 5.036 1.00 60.12 H new ATOM 0 HD21 ASN A 55 -14.201 -2.432 7.744 1.00 4.21 H new ATOM 0 HD22 ASN A 55 -14.953 -1.116 6.836 1.00 4.21 H new ATOM 855 N ALA A 56 -19.265 -0.132 5.569 1.00 65.11 N ATOM 856 CA ALA A 56 -20.112 0.843 4.851 1.00 14.15 C ATOM 857 C ALA A 56 -19.474 1.299 3.522 1.00 0.53 C ATOM 858 O ALA A 56 -20.012 1.038 2.440 1.00 32.31 O ATOM 859 CB ALA A 56 -20.403 2.055 5.772 1.00 34.21 C ATOM 0 H ALA A 56 -18.917 0.224 6.459 1.00 65.11 H new ATOM 0 HA ALA A 56 -21.051 0.352 4.594 1.00 14.15 H new ATOM 0 HB1 ALA A 56 -21.028 2.773 5.241 1.00 34.21 H new ATOM 0 HB2 ALA A 56 -20.922 1.715 6.668 1.00 34.21 H new ATOM 0 HB3 ALA A 56 -19.464 2.530 6.055 1.00 34.21 H new ATOM 865 N HIS A 57 -18.319 1.981 3.615 1.00 55.13 N ATOM 866 CA HIS A 57 -17.631 2.564 2.440 1.00 71.32 C ATOM 867 C HIS A 57 -16.215 2.002 2.255 1.00 73.10 C ATOM 868 O HIS A 57 -15.487 2.473 1.388 1.00 3.42 O ATOM 869 CB HIS A 57 -17.576 4.112 2.567 1.00 70.31 C ATOM 870 CG HIS A 57 -18.912 4.807 2.519 1.00 25.42 C ATOM 871 ND1 HIS A 57 -19.401 5.561 3.561 1.00 61.23 N ATOM 872 CD2 HIS A 57 -19.848 4.883 1.539 1.00 73.34 C ATOM 873 CE1 HIS A 57 -20.574 6.063 3.234 1.00 22.13 C ATOM 874 NE2 HIS A 57 -20.867 5.670 2.011 1.00 43.43 N ATOM 0 H HIS A 57 -17.836 2.145 4.498 1.00 55.13 H new ATOM 0 HA HIS A 57 -18.208 2.288 1.558 1.00 71.32 H new ATOM 0 HB2 HIS A 57 -17.086 4.366 3.507 1.00 70.31 H new ATOM 0 HB3 HIS A 57 -16.951 4.504 1.765 1.00 70.31 H new ATOM 0 HD2 HIS A 57 -19.799 4.412 0.569 1.00 73.34 H new ATOM 0 HE1 HIS A 57 -21.190 6.690 3.861 1.00 22.13 H new ATOM 0 HE2 HIS A 57 -21.715 5.912 1.498 1.00 43.43 H new ATOM 883 N ALA A 58 -15.845 0.982 3.038 1.00 53.04 N ATOM 884 CA ALA A 58 -14.497 0.389 2.976 1.00 4.31 C ATOM 885 C ALA A 58 -14.436 -0.656 1.858 1.00 2.14 C ATOM 886 O ALA A 58 -15.019 -1.736 1.978 1.00 41.44 O ATOM 887 CB ALA A 58 -14.079 -0.226 4.322 1.00 64.31 C ATOM 0 H ALA A 58 -16.460 0.546 3.725 1.00 53.04 H new ATOM 0 HA ALA A 58 -13.789 1.188 2.756 1.00 4.31 H new ATOM 0 HB1 ALA A 58 -13.080 -0.652 4.233 1.00 64.31 H new ATOM 0 HB2 ALA A 58 -14.077 0.547 5.090 1.00 64.31 H new ATOM 0 HB3 ALA A 58 -14.784 -1.010 4.598 1.00 64.31 H new ATOM 893 N ARG A 59 -13.764 -0.302 0.753 1.00 44.25 N ATOM 894 CA ARG A 59 -13.531 -1.202 -0.390 1.00 44.20 C ATOM 895 C ARG A 59 -12.055 -1.615 -0.386 1.00 22.20 C ATOM 896 O ARG A 59 -11.167 -0.792 -0.133 1.00 14.52 O ATOM 897 CB ARG A 59 -13.933 -0.523 -1.731 1.00 15.21 C ATOM 898 CG ARG A 59 -15.402 -0.727 -2.166 1.00 11.54 C ATOM 899 CD ARG A 59 -16.434 -0.158 -1.174 1.00 21.12 C ATOM 900 NE ARG A 59 -17.809 -0.359 -1.665 1.00 42.42 N ATOM 901 CZ ARG A 59 -18.436 0.435 -2.547 1.00 60.43 C ATOM 902 NH1 ARG A 59 -17.833 1.503 -3.059 1.00 21.43 N ATOM 903 NH2 ARG A 59 -19.660 0.132 -2.938 1.00 60.42 N ATOM 0 H ARG A 59 -13.362 0.627 0.625 1.00 44.25 H new ATOM 0 HA ARG A 59 -14.155 -2.090 -0.295 1.00 44.20 H new ATOM 0 HB2 ARG A 59 -13.742 0.547 -1.648 1.00 15.21 H new ATOM 0 HB3 ARG A 59 -13.283 -0.902 -2.519 1.00 15.21 H new ATOM 0 HG2 ARG A 59 -15.551 -0.257 -3.138 1.00 11.54 H new ATOM 0 HG3 ARG A 59 -15.587 -1.793 -2.295 1.00 11.54 H new ATOM 0 HD2 ARG A 59 -16.316 -0.642 -0.205 1.00 21.12 H new ATOM 0 HD3 ARG A 59 -16.250 0.906 -1.023 1.00 21.12 H new ATOM 0 HE ARG A 59 -18.324 -1.163 -1.307 1.00 42.42 H new ATOM 0 HH11 ARG A 59 -16.878 1.731 -2.783 1.00 21.43 H new ATOM 0 HH12 ARG A 59 -18.325 2.095 -3.728 1.00 21.43 H new ATOM 0 HH21 ARG A 59 -20.122 -0.700 -2.570 1.00 60.42 H new ATOM 0 HH22 ARG A 59 -20.144 0.730 -3.608 1.00 60.42 H new ATOM 917 N TYR A 60 -11.825 -2.904 -0.645 1.00 74.23 N ATOM 918 CA TYR A 60 -10.516 -3.550 -0.510 1.00 62.31 C ATOM 919 C TYR A 60 -9.954 -3.883 -1.893 1.00 23.43 C ATOM 920 O TYR A 60 -10.264 -4.924 -2.480 1.00 50.04 O ATOM 921 CB TYR A 60 -10.665 -4.795 0.396 1.00 55.51 C ATOM 922 CG TYR A 60 -11.088 -4.421 1.829 1.00 20.53 C ATOM 923 CD1 TYR A 60 -12.405 -4.055 2.120 1.00 21.35 C ATOM 924 CD2 TYR A 60 -10.164 -4.371 2.867 1.00 42.41 C ATOM 925 CE1 TYR A 60 -12.771 -3.650 3.389 1.00 75.24 C ATOM 926 CE2 TYR A 60 -10.533 -3.979 4.137 1.00 51.25 C ATOM 927 CZ TYR A 60 -11.836 -3.617 4.390 1.00 63.23 C ATOM 928 OH TYR A 60 -12.203 -3.204 5.652 1.00 1.11 O ATOM 0 H TYR A 60 -12.557 -3.541 -0.960 1.00 74.23 H new ATOM 0 HA TYR A 60 -9.799 -2.879 -0.037 1.00 62.31 H new ATOM 0 HB2 TYR A 60 -11.404 -5.470 -0.035 1.00 55.51 H new ATOM 0 HB3 TYR A 60 -9.719 -5.336 0.427 1.00 55.51 H new ATOM 0 HD1 TYR A 60 -13.150 -4.089 1.339 1.00 21.35 H new ATOM 0 HD2 TYR A 60 -9.137 -4.645 2.675 1.00 42.41 H new ATOM 0 HE1 TYR A 60 -13.791 -3.360 3.592 1.00 75.24 H new ATOM 0 HE2 TYR A 60 -9.801 -3.956 4.931 1.00 51.25 H new ATOM 0 HH TYR A 60 -11.425 -3.239 6.247 1.00 1.11 H new ATOM 938 N PHE A 61 -9.145 -2.949 -2.388 1.00 12.51 N ATOM 939 CA PHE A 61 -8.575 -2.969 -3.736 1.00 74.43 C ATOM 940 C PHE A 61 -7.189 -3.651 -3.734 1.00 54.02 C ATOM 941 O PHE A 61 -6.762 -4.252 -2.736 1.00 44.42 O ATOM 942 CB PHE A 61 -8.422 -1.513 -4.241 1.00 31.15 C ATOM 943 CG PHE A 61 -9.694 -0.662 -4.255 1.00 2.01 C ATOM 944 CD1 PHE A 61 -10.603 -0.753 -5.304 1.00 2.33 C ATOM 945 CD2 PHE A 61 -9.943 0.272 -3.243 1.00 30.45 C ATOM 946 CE1 PHE A 61 -11.726 0.055 -5.344 1.00 2.24 C ATOM 947 CE2 PHE A 61 -11.065 1.075 -3.281 1.00 15.35 C ATOM 948 CZ PHE A 61 -11.956 0.967 -4.331 1.00 43.23 C ATOM 0 H PHE A 61 -8.859 -2.133 -1.847 1.00 12.51 H new ATOM 0 HA PHE A 61 -9.241 -3.531 -4.390 1.00 74.43 H new ATOM 0 HB2 PHE A 61 -7.682 -1.011 -3.618 1.00 31.15 H new ATOM 0 HB3 PHE A 61 -8.019 -1.543 -5.253 1.00 31.15 H new ATOM 0 HD1 PHE A 61 -10.430 -1.464 -6.098 1.00 2.33 H new ATOM 0 HD2 PHE A 61 -9.248 0.366 -2.422 1.00 30.45 H new ATOM 0 HE1 PHE A 61 -12.422 -0.027 -6.166 1.00 2.24 H new ATOM 0 HE2 PHE A 61 -11.246 1.788 -2.490 1.00 15.35 H new ATOM 0 HZ PHE A 61 -12.833 1.596 -4.361 1.00 43.23 H new ATOM 958 N ILE A 62 -6.497 -3.534 -4.881 1.00 35.20 N ATOM 959 CA ILE A 62 -5.101 -3.986 -5.057 1.00 41.01 C ATOM 960 C ILE A 62 -4.295 -2.805 -5.642 1.00 52.24 C ATOM 961 O ILE A 62 -4.877 -1.943 -6.308 1.00 43.43 O ATOM 962 CB ILE A 62 -4.997 -5.221 -6.047 1.00 24.31 C ATOM 963 CG1 ILE A 62 -6.162 -6.239 -5.827 1.00 62.22 C ATOM 964 CG2 ILE A 62 -3.631 -5.932 -5.892 1.00 31.31 C ATOM 965 CD1 ILE A 62 -6.197 -7.381 -6.828 1.00 42.33 C ATOM 0 H ILE A 62 -6.894 -3.118 -5.723 1.00 35.20 H new ATOM 0 HA ILE A 62 -4.710 -4.305 -4.091 1.00 41.01 H new ATOM 0 HB ILE A 62 -5.081 -4.831 -7.062 1.00 24.31 H new ATOM 0 HG12 ILE A 62 -6.080 -6.655 -4.823 1.00 62.22 H new ATOM 0 HG13 ILE A 62 -7.110 -5.703 -5.873 1.00 62.22 H new ATOM 0 HG21 ILE A 62 -3.580 -6.776 -6.580 1.00 31.31 H new ATOM 0 HG22 ILE A 62 -2.828 -5.231 -6.118 1.00 31.31 H new ATOM 0 HG23 ILE A 62 -3.522 -6.291 -4.869 1.00 31.31 H new ATOM 0 HD11 ILE A 62 -7.036 -8.038 -6.601 1.00 42.33 H new ATOM 0 HD12 ILE A 62 -6.313 -6.979 -7.835 1.00 42.33 H new ATOM 0 HD13 ILE A 62 -5.267 -7.946 -6.768 1.00 42.33 H new ATOM 977 N ILE A 63 -2.972 -2.752 -5.392 1.00 41.01 N ATOM 978 CA ILE A 63 -2.068 -1.784 -6.056 1.00 62.52 C ATOM 979 C ILE A 63 -0.762 -2.489 -6.472 1.00 41.52 C ATOM 980 O ILE A 63 -0.219 -3.297 -5.723 1.00 41.31 O ATOM 981 CB ILE A 63 -1.694 -0.539 -5.153 1.00 60.33 C ATOM 982 CG1 ILE A 63 -2.941 0.310 -4.761 1.00 55.10 C ATOM 983 CG2 ILE A 63 -0.659 0.358 -5.874 1.00 11.42 C ATOM 984 CD1 ILE A 63 -2.623 1.556 -3.935 1.00 74.30 C ATOM 0 H ILE A 63 -2.501 -3.371 -4.732 1.00 41.01 H new ATOM 0 HA ILE A 63 -2.615 -1.409 -6.921 1.00 62.52 H new ATOM 0 HB ILE A 63 -1.263 -0.935 -4.233 1.00 60.33 H new ATOM 0 HG12 ILE A 63 -3.458 0.615 -5.671 1.00 55.10 H new ATOM 0 HG13 ILE A 63 -3.630 -0.318 -4.197 1.00 55.10 H new ATOM 0 HG21 ILE A 63 -0.412 1.210 -5.240 1.00 11.42 H new ATOM 0 HG22 ILE A 63 0.244 -0.218 -6.076 1.00 11.42 H new ATOM 0 HG23 ILE A 63 -1.079 0.715 -6.814 1.00 11.42 H new ATOM 0 HD11 ILE A 63 -3.547 2.087 -3.707 1.00 74.30 H new ATOM 0 HD12 ILE A 63 -2.135 1.262 -3.006 1.00 74.30 H new ATOM 0 HD13 ILE A 63 -1.960 2.209 -4.502 1.00 74.30 H new ATOM 996 N HIS A 64 -0.268 -2.120 -7.666 1.00 4.53 N ATOM 997 CA HIS A 64 1.027 -2.573 -8.202 1.00 23.13 C ATOM 998 C HIS A 64 2.190 -2.016 -7.353 1.00 5.44 C ATOM 999 O HIS A 64 2.304 -0.799 -7.158 1.00 64.44 O ATOM 1000 CB HIS A 64 1.170 -2.150 -9.690 1.00 65.21 C ATOM 1001 CG HIS A 64 0.974 -0.670 -9.950 1.00 74.01 C ATOM 1002 ND1 HIS A 64 -0.152 0.058 -10.175 1.00 65.13 N flip ATOM 1003 CD2 HIS A 64 2.016 0.228 -10.017 1.00 73.55 C flip ATOM 1004 CE1 HIS A 64 0.235 1.355 -10.370 1.00 24.12 C flip ATOM 1005 NE2 HIS A 64 1.545 1.431 -10.269 1.00 63.33 N flip ATOM 0 H HIS A 64 -0.765 -1.489 -8.295 1.00 4.53 H new ATOM 0 HA HIS A 64 1.066 -3.661 -8.151 1.00 23.13 H new ATOM 0 HB2 HIS A 64 2.160 -2.439 -10.042 1.00 65.21 H new ATOM 0 HB3 HIS A 64 0.446 -2.708 -10.283 1.00 65.21 H new ATOM 0 HD1 HIS A 64 -1.108 -0.297 -10.195 1.00 65.13 H new ATOM 0 HD2 HIS A 64 3.059 -0.017 -9.883 1.00 73.55 H new ATOM 0 HE1 HIS A 64 -0.427 2.183 -10.574 1.00 24.12 H new ATOM 1014 N ALA A 65 3.033 -2.925 -6.843 1.00 1.55 N ATOM 1015 CA ALA A 65 4.169 -2.581 -5.967 1.00 55.32 C ATOM 1016 C ALA A 65 5.474 -3.143 -6.551 1.00 4.14 C ATOM 1017 O ALA A 65 6.285 -3.761 -5.851 1.00 70.33 O ATOM 1018 CB ALA A 65 3.892 -3.123 -4.561 1.00 34.32 C ATOM 0 H ALA A 65 2.948 -3.925 -7.026 1.00 1.55 H new ATOM 0 HA ALA A 65 4.284 -1.499 -5.903 1.00 55.32 H new ATOM 0 HB1 ALA A 65 4.726 -2.874 -3.904 1.00 34.32 H new ATOM 0 HB2 ALA A 65 2.978 -2.675 -4.172 1.00 34.32 H new ATOM 0 HB3 ALA A 65 3.775 -4.206 -4.605 1.00 34.32 H new ATOM 1024 N HIS A 66 5.656 -2.912 -7.856 1.00 3.43 N ATOM 1025 CA HIS A 66 6.877 -3.306 -8.587 1.00 71.35 C ATOM 1026 C HIS A 66 7.733 -2.048 -8.839 1.00 41.22 C ATOM 1027 O HIS A 66 8.961 -2.070 -8.688 1.00 71.10 O ATOM 1028 CB HIS A 66 6.486 -3.994 -9.919 1.00 35.11 C ATOM 1029 CG HIS A 66 7.607 -4.706 -10.642 1.00 62.00 C ATOM 1030 ND1 HIS A 66 8.850 -4.154 -10.864 1.00 61.21 N ATOM 1031 CD2 HIS A 66 7.660 -5.947 -11.184 1.00 25.53 C ATOM 1032 CE1 HIS A 66 9.611 -5.017 -11.496 1.00 72.23 C ATOM 1033 NE2 HIS A 66 8.914 -6.113 -11.708 1.00 42.13 N ATOM 0 H HIS A 66 4.962 -2.446 -8.441 1.00 3.43 H new ATOM 0 HA HIS A 66 7.460 -4.016 -8.000 1.00 71.35 H new ATOM 0 HB2 HIS A 66 5.694 -4.715 -9.716 1.00 35.11 H new ATOM 0 HB3 HIS A 66 6.068 -3.241 -10.587 1.00 35.11 H new ATOM 0 HD2 HIS A 66 6.860 -6.672 -11.200 1.00 25.53 H new ATOM 0 HE1 HIS A 66 10.637 -4.855 -11.792 1.00 72.23 H new ATOM 0 HE2 HIS A 66 9.252 -6.949 -12.184 1.00 42.13 H new ATOM 1042 N LYS A 67 7.056 -0.964 -9.259 1.00 53.51 N ATOM 1043 CA LYS A 67 7.650 0.371 -9.404 1.00 3.35 C ATOM 1044 C LYS A 67 7.105 1.248 -8.265 1.00 12.52 C ATOM 1045 O LYS A 67 6.003 1.811 -8.351 1.00 64.10 O ATOM 1046 CB LYS A 67 7.338 0.991 -10.803 1.00 74.14 C ATOM 1047 CG LYS A 67 7.911 2.420 -11.030 1.00 43.13 C ATOM 1048 CD LYS A 67 9.460 2.480 -10.984 1.00 32.43 C ATOM 1049 CE LYS A 67 10.000 3.922 -11.106 1.00 33.00 C ATOM 1050 NZ LYS A 67 11.496 3.972 -11.163 1.00 22.12 N ATOM 0 H LYS A 67 6.068 -0.995 -9.510 1.00 53.51 H new ATOM 0 HA LYS A 67 8.736 0.305 -9.340 1.00 3.35 H new ATOM 0 HB2 LYS A 67 7.735 0.330 -11.574 1.00 74.14 H new ATOM 0 HB3 LYS A 67 6.257 1.024 -10.937 1.00 74.14 H new ATOM 0 HG2 LYS A 67 7.570 2.790 -11.997 1.00 43.13 H new ATOM 0 HG3 LYS A 67 7.507 3.090 -10.271 1.00 43.13 H new ATOM 0 HD2 LYS A 67 9.810 2.042 -10.049 1.00 32.43 H new ATOM 0 HD3 LYS A 67 9.868 1.873 -11.792 1.00 32.43 H new ATOM 0 HE2 LYS A 67 9.590 4.385 -12.003 1.00 33.00 H new ATOM 0 HE3 LYS A 67 9.652 4.510 -10.256 1.00 33.00 H new ATOM 0 HZ1 LYS A 67 11.807 4.961 -11.245 1.00 22.12 H new ATOM 0 HZ2 LYS A 67 11.891 3.555 -10.296 1.00 22.12 H new ATOM 0 HZ3 LYS A 67 11.830 3.435 -11.988 1.00 22.12 H new ATOM 1064 N LEU A 68 7.859 1.264 -7.163 1.00 71.42 N ATOM 1065 CA LEU A 68 7.596 2.095 -5.984 1.00 44.14 C ATOM 1066 C LEU A 68 7.988 3.547 -6.291 1.00 24.23 C ATOM 1067 O LEU A 68 8.962 3.785 -7.026 1.00 10.51 O ATOM 1068 CB LEU A 68 8.428 1.568 -4.781 1.00 3.32 C ATOM 1069 CG LEU A 68 8.019 0.192 -4.145 1.00 34.20 C ATOM 1070 CD1 LEU A 68 6.648 0.274 -3.453 1.00 11.31 C ATOM 1071 CD2 LEU A 68 8.079 -0.978 -5.154 1.00 63.42 C ATOM 0 H LEU A 68 8.692 0.684 -7.063 1.00 71.42 H new ATOM 0 HA LEU A 68 6.536 2.051 -5.732 1.00 44.14 H new ATOM 0 HB2 LEU A 68 9.467 1.491 -5.102 1.00 3.32 H new ATOM 0 HB3 LEU A 68 8.392 2.322 -3.995 1.00 3.32 H new ATOM 0 HG LEU A 68 8.764 -0.026 -3.380 1.00 34.20 H new ATOM 0 HD11 LEU A 68 6.398 -0.697 -3.025 1.00 11.31 H new ATOM 0 HD12 LEU A 68 6.684 1.022 -2.661 1.00 11.31 H new ATOM 0 HD13 LEU A 68 5.888 0.555 -4.183 1.00 11.31 H new ATOM 0 HD21 LEU A 68 7.786 -1.903 -4.657 1.00 63.42 H new ATOM 0 HD22 LEU A 68 7.398 -0.780 -5.982 1.00 63.42 H new ATOM 0 HD23 LEU A 68 9.095 -1.078 -5.536 1.00 63.42 H new ATOM 1083 N LEU A 69 7.240 4.506 -5.734 1.00 63.51 N ATOM 1084 CA LEU A 69 7.572 5.929 -5.850 1.00 42.24 C ATOM 1085 C LEU A 69 8.698 6.256 -4.881 1.00 41.24 C ATOM 1086 O LEU A 69 8.466 6.569 -3.707 1.00 13.13 O ATOM 1087 CB LEU A 69 6.356 6.834 -5.572 1.00 22.00 C ATOM 1088 CG LEU A 69 5.179 6.708 -6.564 1.00 1.13 C ATOM 1089 CD1 LEU A 69 4.075 7.710 -6.196 1.00 45.20 C ATOM 1090 CD2 LEU A 69 5.648 6.882 -8.028 1.00 44.40 C ATOM 0 H LEU A 69 6.395 4.319 -5.195 1.00 63.51 H new ATOM 0 HA LEU A 69 7.887 6.122 -6.876 1.00 42.24 H new ATOM 0 HB2 LEU A 69 5.986 6.615 -4.570 1.00 22.00 H new ATOM 0 HB3 LEU A 69 6.693 7.871 -5.568 1.00 22.00 H new ATOM 0 HG LEU A 69 4.767 5.702 -6.488 1.00 1.13 H new ATOM 0 HD11 LEU A 69 3.248 7.615 -6.900 1.00 45.20 H new ATOM 0 HD12 LEU A 69 3.718 7.504 -5.187 1.00 45.20 H new ATOM 0 HD13 LEU A 69 4.474 8.723 -6.239 1.00 45.20 H new ATOM 0 HD21 LEU A 69 4.793 6.787 -8.698 1.00 44.40 H new ATOM 0 HD22 LEU A 69 6.098 7.867 -8.151 1.00 44.40 H new ATOM 0 HD23 LEU A 69 6.384 6.115 -8.268 1.00 44.40 H new ATOM 1102 N ASP A 70 9.921 6.097 -5.367 1.00 75.53 N ATOM 1103 CA ASP A 70 11.107 6.509 -4.634 1.00 1.44 C ATOM 1104 C ASP A 70 11.461 7.940 -5.074 1.00 25.30 C ATOM 1105 O ASP A 70 11.763 8.159 -6.244 1.00 11.34 O ATOM 1106 CB ASP A 70 12.264 5.538 -4.889 1.00 5.34 C ATOM 1107 CG ASP A 70 13.465 5.804 -3.972 1.00 1.12 C ATOM 1108 OD1 ASP A 70 13.318 5.664 -2.738 1.00 2.12 O ATOM 1109 OD2 ASP A 70 14.558 6.141 -4.469 1.00 74.31 O ATOM 0 H ASP A 70 10.117 5.680 -6.277 1.00 75.53 H new ATOM 0 HA ASP A 70 10.917 6.495 -3.561 1.00 1.44 H new ATOM 0 HB2 ASP A 70 11.916 4.516 -4.740 1.00 5.34 H new ATOM 0 HB3 ASP A 70 12.580 5.619 -5.929 1.00 5.34 H new ATOM 1114 N PRO A 71 11.377 8.948 -4.164 1.00 43.25 N ATOM 1115 CA PRO A 71 11.638 10.379 -4.500 1.00 12.32 C ATOM 1116 C PRO A 71 13.081 10.680 -4.978 1.00 31.42 C ATOM 1117 O PRO A 71 13.356 11.792 -5.445 1.00 45.11 O ATOM 1118 CB PRO A 71 11.315 11.113 -3.170 1.00 63.13 C ATOM 1119 CG PRO A 71 10.435 10.160 -2.428 1.00 73.04 C ATOM 1120 CD PRO A 71 10.981 8.798 -2.746 1.00 24.22 C ATOM 0 HA PRO A 71 11.035 10.700 -5.350 1.00 12.32 H new ATOM 0 HB2 PRO A 71 12.222 11.337 -2.608 1.00 63.13 H new ATOM 0 HB3 PRO A 71 10.810 12.062 -3.351 1.00 63.13 H new ATOM 0 HG2 PRO A 71 10.459 10.354 -1.356 1.00 73.04 H new ATOM 0 HG3 PRO A 71 9.396 10.253 -2.746 1.00 73.04 H new ATOM 0 HD2 PRO A 71 11.828 8.540 -2.111 1.00 24.22 H new ATOM 0 HD3 PRO A 71 10.233 8.017 -2.612 1.00 24.22 H new ATOM 1128 N SER A 72 13.998 9.698 -4.854 1.00 71.03 N ATOM 1129 CA SER A 72 15.389 9.842 -5.326 1.00 2.53 C ATOM 1130 C SER A 72 15.505 9.551 -6.842 1.00 1.53 C ATOM 1131 O SER A 72 16.580 9.737 -7.422 1.00 14.10 O ATOM 1132 CB SER A 72 16.329 8.928 -4.504 1.00 15.22 C ATOM 1133 OG SER A 72 17.702 9.200 -4.755 1.00 71.13 O ATOM 0 H SER A 72 13.797 8.793 -4.429 1.00 71.03 H new ATOM 0 HA SER A 72 15.696 10.877 -5.174 1.00 2.53 H new ATOM 0 HB2 SER A 72 16.123 9.060 -3.442 1.00 15.22 H new ATOM 0 HB3 SER A 72 16.118 7.885 -4.742 1.00 15.22 H new ATOM 0 HG SER A 72 17.825 9.417 -5.703 1.00 71.13 H new ATOM 1227 N GLN B 105 -7.906 15.437 -1.117 1.00 23.31 N ATOM 1228 CA GLN B 105 -7.060 14.820 -0.084 1.00 41.34 C ATOM 1229 C GLN B 105 -6.363 13.566 -0.637 1.00 12.13 C ATOM 1230 O GLN B 105 -5.334 13.171 -0.100 1.00 44.42 O ATOM 1231 CB GLN B 105 -7.872 14.472 1.218 1.00 53.53 C ATOM 1232 CG GLN B 105 -9.312 13.911 1.035 1.00 1.51 C ATOM 1233 CD GLN B 105 -9.461 12.778 0.013 1.00 22.31 C ATOM 1234 OE1 GLN B 105 -9.754 13.025 -1.158 1.00 2.15 O ATOM 1235 NE2 GLN B 105 -9.176 11.549 0.409 1.00 42.31 N ATOM 0 HA GLN B 105 -6.303 15.553 0.194 1.00 41.34 H new ATOM 0 HB2 GLN B 105 -7.297 13.743 1.789 1.00 53.53 H new ATOM 0 HB3 GLN B 105 -7.937 15.374 1.826 1.00 53.53 H new ATOM 0 HG2 GLN B 105 -9.668 13.553 2.001 1.00 1.51 H new ATOM 0 HG3 GLN B 105 -9.966 14.731 0.739 1.00 1.51 H new ATOM 0 HE21 GLN B 105 -8.936 11.370 1.384 1.00 42.31 H new ATOM 0 HE22 GLN B 105 -9.196 10.780 -0.261 1.00 42.31 H new ATOM 1244 N LEU B 106 -6.948 12.959 -1.718 1.00 64.12 N ATOM 1245 CA LEU B 106 -6.519 11.662 -2.267 1.00 71.25 C ATOM 1246 C LEU B 106 -5.045 11.733 -2.695 1.00 63.53 C ATOM 1247 O LEU B 106 -4.661 12.565 -3.531 1.00 70.32 O ATOM 1248 CB LEU B 106 -7.440 11.221 -3.440 1.00 53.52 C ATOM 1249 CG LEU B 106 -7.180 9.792 -4.006 1.00 51.01 C ATOM 1250 CD1 LEU B 106 -7.333 8.708 -2.915 1.00 35.21 C ATOM 1251 CD2 LEU B 106 -8.081 9.496 -5.216 1.00 11.12 C ATOM 0 H LEU B 106 -7.732 13.371 -2.224 1.00 64.12 H new ATOM 0 HA LEU B 106 -6.608 10.904 -1.489 1.00 71.25 H new ATOM 0 HB2 LEU B 106 -8.476 11.275 -3.104 1.00 53.52 H new ATOM 0 HB3 LEU B 106 -7.330 11.939 -4.253 1.00 53.52 H new ATOM 0 HG LEU B 106 -6.146 9.764 -4.348 1.00 51.01 H new ATOM 0 HD11 LEU B 106 -7.144 7.726 -3.349 1.00 35.21 H new ATOM 0 HD12 LEU B 106 -6.618 8.895 -2.114 1.00 35.21 H new ATOM 0 HD13 LEU B 106 -8.345 8.738 -2.512 1.00 35.21 H new ATOM 0 HD21 LEU B 106 -7.874 8.492 -5.586 1.00 11.12 H new ATOM 0 HD22 LEU B 106 -9.127 9.564 -4.916 1.00 11.12 H new ATOM 0 HD23 LEU B 106 -7.881 10.222 -6.004 1.00 11.12 H new ATOM 1263 N LEU B 107 -4.239 10.834 -2.120 1.00 63.35 N ATOM 1264 CA LEU B 107 -2.789 11.010 -2.022 1.00 0.35 C ATOM 1265 C LEU B 107 -2.034 9.704 -2.219 1.00 1.30 C ATOM 1266 O LEU B 107 -2.618 8.632 -2.402 1.00 42.44 O ATOM 1267 CB LEU B 107 -2.415 11.699 -0.656 1.00 24.21 C ATOM 1268 CG LEU B 107 -2.705 10.973 0.734 1.00 22.13 C ATOM 1269 CD1 LEU B 107 -4.121 10.371 0.830 1.00 52.42 C ATOM 1270 CD2 LEU B 107 -1.622 9.931 1.111 1.00 0.14 C ATOM 0 H LEU B 107 -4.576 9.963 -1.709 1.00 63.35 H new ATOM 0 HA LEU B 107 -2.478 11.666 -2.835 1.00 0.35 H new ATOM 0 HB2 LEU B 107 -1.347 11.913 -0.688 1.00 24.21 H new ATOM 0 HB3 LEU B 107 -2.932 12.658 -0.630 1.00 24.21 H new ATOM 0 HG LEU B 107 -2.656 11.770 1.476 1.00 22.13 H new ATOM 0 HD11 LEU B 107 -4.248 9.893 1.801 1.00 52.42 H new ATOM 0 HD12 LEU B 107 -4.861 11.163 0.715 1.00 52.42 H new ATOM 0 HD13 LEU B 107 -4.256 9.631 0.041 1.00 52.42 H new ATOM 0 HD21 LEU B 107 -1.876 9.472 2.066 1.00 0.14 H new ATOM 0 HD22 LEU B 107 -1.573 9.162 0.340 1.00 0.14 H new ATOM 0 HD23 LEU B 107 -0.654 10.425 1.192 1.00 0.14 H new ATOM 1282 N HIS B 108 -0.712 9.836 -2.176 1.00 71.42 N ATOM 1283 CA HIS B 108 0.214 8.731 -2.338 1.00 43.11 C ATOM 1284 C HIS B 108 0.505 8.113 -0.959 1.00 53.42 C ATOM 1285 O HIS B 108 1.236 8.712 -0.168 1.00 61.14 O ATOM 1286 CB HIS B 108 1.526 9.239 -2.991 1.00 24.15 C ATOM 1287 CG HIS B 108 1.373 9.890 -4.357 1.00 22.13 C ATOM 1288 ND1 HIS B 108 2.452 10.275 -5.127 1.00 14.44 N ATOM 1289 CD2 HIS B 108 0.275 10.237 -5.077 1.00 14.42 C ATOM 1290 CE1 HIS B 108 2.023 10.826 -6.246 1.00 54.53 C ATOM 1291 NE2 HIS B 108 0.709 10.816 -6.241 1.00 42.40 N ATOM 0 H HIS B 108 -0.250 10.733 -2.025 1.00 71.42 H new ATOM 0 HA HIS B 108 -0.224 7.972 -2.986 1.00 43.11 H new ATOM 0 HB2 HIS B 108 1.992 9.958 -2.316 1.00 24.15 H new ATOM 0 HB3 HIS B 108 2.213 8.398 -3.084 1.00 24.15 H new ATOM 0 HD2 HIS B 108 -0.754 10.084 -4.785 1.00 14.42 H new ATOM 0 HE1 HIS B 108 2.647 11.220 -7.035 1.00 54.53 H new ATOM 0 HE2 HIS B 108 0.110 11.180 -6.982 1.00 42.40 H new ATOM 1300 N ILE B 109 -0.112 6.944 -0.660 1.00 43.32 N ATOM 1301 CA ILE B 109 0.100 6.235 0.627 1.00 15.45 C ATOM 1302 C ILE B 109 1.562 5.747 0.745 1.00 33.20 C ATOM 1303 O ILE B 109 2.276 5.649 -0.254 1.00 41.15 O ATOM 1304 CB ILE B 109 -0.875 5.005 0.818 1.00 73.44 C ATOM 1305 CG1 ILE B 109 -0.578 3.888 -0.237 1.00 53.42 C ATOM 1306 CG2 ILE B 109 -2.358 5.452 0.765 1.00 10.45 C ATOM 1307 CD1 ILE B 109 -1.450 2.642 -0.141 1.00 2.42 C ATOM 0 H ILE B 109 -0.760 6.472 -1.291 1.00 43.32 H new ATOM 0 HA ILE B 109 -0.119 6.958 1.413 1.00 15.45 H new ATOM 0 HB ILE B 109 -0.695 4.584 1.807 1.00 73.44 H new ATOM 0 HG12 ILE B 109 -0.694 4.315 -1.233 1.00 53.42 H new ATOM 0 HG13 ILE B 109 0.465 3.588 -0.138 1.00 53.42 H new ATOM 0 HG21 ILE B 109 -3.004 4.585 0.899 1.00 10.45 H new ATOM 0 HG22 ILE B 109 -2.549 6.174 1.559 1.00 10.45 H new ATOM 0 HG23 ILE B 109 -2.565 5.913 -0.201 1.00 10.45 H new ATOM 0 HD11 ILE B 109 -1.160 1.934 -0.917 1.00 2.42 H new ATOM 0 HD12 ILE B 109 -1.319 2.181 0.838 1.00 2.42 H new ATOM 0 HD13 ILE B 109 -2.496 2.919 -0.275 1.00 2.42 H new ATOM 1319 N VAL B 110 1.979 5.401 1.962 1.00 53.05 N ATOM 1320 CA VAL B 110 3.390 5.094 2.275 1.00 62.40 C ATOM 1321 C VAL B 110 3.555 3.647 2.761 1.00 42.01 C ATOM 1322 O VAL B 110 2.782 3.155 3.600 1.00 21.23 O ATOM 1323 CB VAL B 110 3.958 6.130 3.319 1.00 73.13 C ATOM 1324 CG1 VAL B 110 4.389 7.414 2.603 1.00 43.31 C ATOM 1325 CG2 VAL B 110 2.914 6.445 4.424 1.00 55.05 C ATOM 0 H VAL B 110 1.355 5.323 2.765 1.00 53.05 H new ATOM 0 HA VAL B 110 3.972 5.187 1.358 1.00 62.40 H new ATOM 0 HB VAL B 110 4.828 5.686 3.803 1.00 73.13 H new ATOM 0 HG11 VAL B 110 4.780 8.124 3.332 1.00 43.31 H new ATOM 0 HG12 VAL B 110 5.164 7.181 1.872 1.00 43.31 H new ATOM 0 HG13 VAL B 110 3.531 7.853 2.094 1.00 43.31 H new ATOM 0 HG21 VAL B 110 3.335 7.162 5.129 1.00 55.05 H new ATOM 0 HG22 VAL B 110 2.018 6.867 3.969 1.00 55.05 H new ATOM 0 HG23 VAL B 110 2.655 5.527 4.952 1.00 55.05 H new ATOM 1335 N VAL B 111 4.593 2.981 2.214 1.00 43.15 N ATOM 1336 CA VAL B 111 4.883 1.558 2.459 1.00 63.41 C ATOM 1337 C VAL B 111 6.391 1.283 2.282 1.00 13.02 C ATOM 1338 O VAL B 111 7.040 1.835 1.393 1.00 14.41 O ATOM 1339 CB VAL B 111 4.044 0.631 1.499 1.00 53.21 C ATOM 1340 CG1 VAL B 111 4.282 0.971 0.012 1.00 52.30 C ATOM 1341 CG2 VAL B 111 4.305 -0.866 1.790 1.00 74.04 C ATOM 0 H VAL B 111 5.260 3.424 1.582 1.00 43.15 H new ATOM 0 HA VAL B 111 4.597 1.328 3.485 1.00 63.41 H new ATOM 0 HB VAL B 111 2.991 0.827 1.703 1.00 53.21 H new ATOM 0 HG11 VAL B 111 3.684 0.308 -0.613 1.00 52.30 H new ATOM 0 HG12 VAL B 111 3.993 2.005 -0.176 1.00 52.30 H new ATOM 0 HG13 VAL B 111 5.338 0.841 -0.227 1.00 52.30 H new ATOM 0 HG21 VAL B 111 3.711 -1.478 1.111 1.00 74.04 H new ATOM 0 HG22 VAL B 111 5.363 -1.086 1.645 1.00 74.04 H new ATOM 0 HG23 VAL B 111 4.025 -1.091 2.819 1.00 74.04 H new ATOM 1351 N GLY B 112 6.919 0.414 3.143 1.00 22.24 N ATOM 1352 CA GLY B 112 8.319 -0.017 3.105 1.00 61.04 C ATOM 1353 C GLY B 112 8.440 -1.479 3.500 1.00 12.34 C ATOM 1354 O GLY B 112 7.426 -2.156 3.678 1.00 71.43 O ATOM 0 H GLY B 112 6.382 -0.016 3.896 1.00 22.24 H new ATOM 0 HA2 GLY B 112 8.723 0.129 2.103 1.00 61.04 H new ATOM 0 HA3 GLY B 112 8.913 0.598 3.781 1.00 61.04 H new ATOM 1358 N GLY B 113 9.674 -1.972 3.621 1.00 14.02 N ATOM 1359 CA GLY B 113 9.915 -3.362 4.022 1.00 32.03 C ATOM 1360 C GLY B 113 11.288 -3.843 3.613 1.00 2.03 C ATOM 1361 O GLY B 113 12.018 -3.116 2.934 1.00 64.15 O ATOM 0 H GLY B 113 10.522 -1.432 3.448 1.00 14.02 H new ATOM 0 HA2 GLY B 113 9.808 -3.450 5.103 1.00 32.03 H new ATOM 0 HA3 GLY B 113 9.158 -4.005 3.573 1.00 32.03 H new ATOM 1365 N GLU B 114 11.634 -5.078 4.022 1.00 41.23 N ATOM 1366 CA GLU B 114 12.955 -5.668 3.754 1.00 32.13 C ATOM 1367 C GLU B 114 13.081 -6.109 2.294 1.00 15.32 C ATOM 1368 O GLU B 114 12.149 -6.684 1.721 1.00 11.01 O ATOM 1369 CB GLU B 114 13.249 -6.853 4.712 1.00 43.31 C ATOM 1370 CG GLU B 114 13.543 -6.427 6.167 1.00 2.21 C ATOM 1371 CD GLU B 114 13.828 -7.607 7.107 1.00 4.41 C ATOM 1372 OE1 GLU B 114 14.661 -8.469 6.753 1.00 71.11 O ATOM 1373 OE2 GLU B 114 13.223 -7.682 8.194 1.00 30.53 O ATOM 0 H GLU B 114 11.008 -5.691 4.545 1.00 41.23 H new ATOM 0 HA GLU B 114 13.700 -4.894 3.938 1.00 32.13 H new ATOM 0 HB2 GLU B 114 12.395 -7.530 4.708 1.00 43.31 H new ATOM 0 HB3 GLU B 114 14.102 -7.413 4.329 1.00 43.31 H new ATOM 0 HG2 GLU B 114 14.400 -5.753 6.173 1.00 2.21 H new ATOM 0 HG3 GLU B 114 12.692 -5.865 6.551 1.00 2.21 H new ATOM 1380 N LEU B 115 14.246 -5.790 1.718 1.00 70.44 N ATOM 1381 CA LEU B 115 14.652 -6.197 0.365 1.00 4.03 C ATOM 1382 C LEU B 115 15.715 -7.315 0.453 1.00 52.11 C ATOM 1383 O LEU B 115 16.344 -7.509 1.499 1.00 54.34 O ATOM 1384 CB LEU B 115 15.208 -4.976 -0.437 1.00 43.34 C ATOM 1385 CG LEU B 115 14.194 -3.838 -0.838 1.00 64.23 C ATOM 1386 CD1 LEU B 115 12.925 -4.401 -1.491 1.00 72.52 C ATOM 1387 CD2 LEU B 115 13.844 -2.918 0.338 1.00 70.14 C ATOM 0 H LEU B 115 14.952 -5.227 2.192 1.00 70.44 H new ATOM 0 HA LEU B 115 13.778 -6.578 -0.164 1.00 4.03 H new ATOM 0 HB2 LEU B 115 16.005 -4.522 0.153 1.00 43.34 H new ATOM 0 HB3 LEU B 115 15.665 -5.355 -1.351 1.00 43.34 H new ATOM 0 HG LEU B 115 14.708 -3.228 -1.581 1.00 64.23 H new ATOM 0 HD11 LEU B 115 12.255 -3.581 -1.751 1.00 72.52 H new ATOM 0 HD12 LEU B 115 13.193 -4.950 -2.393 1.00 72.52 H new ATOM 0 HD13 LEU B 115 12.424 -5.072 -0.793 1.00 72.52 H new ATOM 0 HD21 LEU B 115 13.143 -2.153 0.005 1.00 70.14 H new ATOM 0 HD22 LEU B 115 13.389 -3.505 1.136 1.00 70.14 H new ATOM 0 HD23 LEU B 115 14.751 -2.441 0.710 1.00 70.14 H new ATOM 1399 N LYS B 116 15.886 -8.059 -0.651 1.00 24.22 N ATOM 1400 CA LYS B 116 16.927 -9.107 -0.764 1.00 44.12 C ATOM 1401 C LYS B 116 18.308 -8.442 -0.884 1.00 61.33 C ATOM 1402 O LYS B 116 19.257 -8.790 -0.167 1.00 24.23 O ATOM 1403 CB LYS B 116 16.670 -9.997 -2.007 1.00 41.15 C ATOM 1404 CG LYS B 116 15.319 -10.747 -2.012 1.00 70.10 C ATOM 1405 CD LYS B 116 15.067 -11.455 -3.367 1.00 51.15 C ATOM 1406 CE LYS B 116 13.644 -12.013 -3.501 1.00 75.30 C ATOM 1407 NZ LYS B 116 13.333 -12.423 -4.904 1.00 73.41 N ATOM 0 H LYS B 116 15.313 -7.957 -1.489 1.00 24.22 H new ATOM 0 HA LYS B 116 16.894 -9.734 0.127 1.00 44.12 H new ATOM 0 HB2 LYS B 116 16.724 -9.372 -2.899 1.00 41.15 H new ATOM 0 HB3 LYS B 116 17.474 -10.729 -2.082 1.00 41.15 H new ATOM 0 HG2 LYS B 116 15.307 -11.483 -1.208 1.00 70.10 H new ATOM 0 HG3 LYS B 116 14.511 -10.044 -1.812 1.00 70.10 H new ATOM 0 HD2 LYS B 116 15.252 -10.750 -4.178 1.00 51.15 H new ATOM 0 HD3 LYS B 116 15.782 -12.269 -3.483 1.00 51.15 H new ATOM 0 HE2 LYS B 116 13.527 -12.871 -2.838 1.00 75.30 H new ATOM 0 HE3 LYS B 116 12.927 -11.259 -3.176 1.00 75.30 H new ATOM 0 HZ1 LYS B 116 12.471 -11.938 -5.224 1.00 73.41 H new ATOM 0 HZ2 LYS B 116 14.126 -12.165 -5.525 1.00 73.41 H new ATOM 0 HZ3 LYS B 116 13.185 -13.452 -4.940 1.00 73.41 H new ATOM 1421 N ASP B 117 18.386 -7.479 -1.824 1.00 65.21 N ATOM 1422 CA ASP B 117 19.570 -6.626 -2.030 1.00 2.12 C ATOM 1423 C ASP B 117 19.469 -5.388 -1.105 1.00 34.42 C ATOM 1424 O ASP B 117 18.408 -5.128 -0.532 1.00 1.04 O ATOM 1425 CB ASP B 117 19.674 -6.216 -3.529 1.00 44.24 C ATOM 1426 CG ASP B 117 20.996 -5.497 -3.880 1.00 0.10 C ATOM 1427 OD1 ASP B 117 22.012 -6.187 -4.101 1.00 31.43 O ATOM 1428 OD2 ASP B 117 21.019 -4.247 -3.942 1.00 33.42 O ATOM 0 H ASP B 117 17.621 -7.271 -2.466 1.00 65.21 H new ATOM 0 HA ASP B 117 20.477 -7.173 -1.775 1.00 2.12 H new ATOM 0 HB2 ASP B 117 19.579 -7.107 -4.149 1.00 44.24 H new ATOM 0 HB3 ASP B 117 18.837 -5.563 -3.778 1.00 44.24 H new ATOM 1433 N VAL B 118 20.585 -4.663 -0.925 1.00 22.11 N ATOM 1434 CA VAL B 118 20.637 -3.444 -0.076 1.00 51.51 C ATOM 1435 C VAL B 118 19.722 -2.316 -0.613 1.00 65.23 C ATOM 1436 O VAL B 118 19.050 -1.624 0.160 1.00 43.13 O ATOM 1437 CB VAL B 118 22.112 -2.912 0.065 1.00 71.02 C ATOM 1438 CG1 VAL B 118 22.950 -3.837 0.979 1.00 33.21 C ATOM 1439 CG2 VAL B 118 22.791 -2.727 -1.319 1.00 11.13 C ATOM 0 H VAL B 118 21.478 -4.898 -1.359 1.00 22.11 H new ATOM 0 HA VAL B 118 20.268 -3.736 0.907 1.00 51.51 H new ATOM 0 HB VAL B 118 22.061 -1.930 0.534 1.00 71.02 H new ATOM 0 HG11 VAL B 118 23.965 -3.447 1.059 1.00 33.21 H new ATOM 0 HG12 VAL B 118 22.497 -3.877 1.970 1.00 33.21 H new ATOM 0 HG13 VAL B 118 22.980 -4.840 0.553 1.00 33.21 H new ATOM 0 HG21 VAL B 118 23.807 -2.359 -1.179 1.00 11.13 H new ATOM 0 HG22 VAL B 118 22.820 -3.684 -1.841 1.00 11.13 H new ATOM 0 HG23 VAL B 118 22.223 -2.009 -1.910 1.00 11.13 H new ATOM 1449 N ALA B 119 19.719 -2.153 -1.945 1.00 74.32 N ATOM 1450 CA ALA B 119 18.943 -1.105 -2.645 1.00 61.33 C ATOM 1451 C ALA B 119 17.976 -1.720 -3.681 1.00 15.35 C ATOM 1452 O ALA B 119 16.961 -1.101 -4.024 1.00 22.23 O ATOM 1453 CB ALA B 119 19.907 -0.109 -3.319 1.00 43.42 C ATOM 0 H ALA B 119 20.258 -2.747 -2.576 1.00 74.32 H new ATOM 0 HA ALA B 119 18.337 -0.573 -1.911 1.00 61.33 H new ATOM 0 HB1 ALA B 119 19.333 0.661 -3.834 1.00 43.42 H new ATOM 0 HB2 ALA B 119 20.539 0.355 -2.562 1.00 43.42 H new ATOM 0 HB3 ALA B 119 20.532 -0.638 -4.039 1.00 43.42 H new ATOM 1459 N GLY B 120 18.299 -2.942 -4.150 1.00 54.32 N ATOM 1460 CA GLY B 120 17.506 -3.637 -5.180 1.00 43.12 C ATOM 1461 C GLY B 120 16.113 -4.015 -4.679 1.00 22.20 C ATOM 1462 O GLY B 120 15.996 -4.708 -3.663 1.00 22.15 O ATOM 0 H GLY B 120 19.110 -3.470 -3.828 1.00 54.32 H new ATOM 0 HA2 GLY B 120 17.413 -2.997 -6.058 1.00 43.12 H new ATOM 0 HA3 GLY B 120 18.033 -4.537 -5.496 1.00 43.12 H new ATOM 1466 N VAL B 121 15.068 -3.557 -5.406 1.00 24.52 N ATOM 1467 CA VAL B 121 13.659 -3.643 -4.982 1.00 15.33 C ATOM 1468 C VAL B 121 13.093 -5.052 -5.280 1.00 13.23 C ATOM 1469 O VAL B 121 12.438 -5.299 -6.292 1.00 71.31 O ATOM 1470 CB VAL B 121 12.765 -2.508 -5.637 1.00 23.31 C ATOM 1471 CG1 VAL B 121 11.329 -2.523 -5.054 1.00 2.30 C ATOM 1472 CG2 VAL B 121 13.430 -1.110 -5.478 1.00 61.15 C ATOM 0 H VAL B 121 15.186 -3.112 -6.316 1.00 24.52 H new ATOM 0 HA VAL B 121 13.627 -3.478 -3.905 1.00 15.33 H new ATOM 0 HB VAL B 121 12.688 -2.715 -6.704 1.00 23.31 H new ATOM 0 HG11 VAL B 121 10.738 -1.735 -5.521 1.00 2.30 H new ATOM 0 HG12 VAL B 121 10.866 -3.489 -5.253 1.00 2.30 H new ATOM 0 HG13 VAL B 121 11.371 -2.355 -3.978 1.00 2.30 H new ATOM 0 HG21 VAL B 121 12.796 -0.351 -5.936 1.00 61.15 H new ATOM 0 HG22 VAL B 121 13.557 -0.886 -4.419 1.00 61.15 H new ATOM 0 HG23 VAL B 121 14.404 -1.113 -5.968 1.00 61.15 H new ATOM 1482 N GLU B 122 13.475 -5.978 -4.414 1.00 55.01 N ATOM 1483 CA GLU B 122 12.957 -7.352 -4.357 1.00 25.04 C ATOM 1484 C GLU B 122 12.563 -7.640 -2.908 1.00 64.32 C ATOM 1485 O GLU B 122 13.430 -7.938 -2.087 1.00 4.25 O ATOM 1486 CB GLU B 122 14.061 -8.337 -4.832 1.00 70.22 C ATOM 1487 CG GLU B 122 14.269 -8.417 -6.349 1.00 43.43 C ATOM 1488 CD GLU B 122 13.113 -9.124 -7.070 1.00 23.15 C ATOM 1489 OE1 GLU B 122 13.135 -10.374 -7.175 1.00 64.31 O ATOM 1490 OE2 GLU B 122 12.183 -8.448 -7.540 1.00 13.41 O ATOM 0 H GLU B 122 14.181 -5.794 -3.701 1.00 55.01 H new ATOM 0 HA GLU B 122 12.090 -7.473 -5.006 1.00 25.04 H new ATOM 0 HB2 GLU B 122 15.004 -8.048 -4.369 1.00 70.22 H new ATOM 0 HB3 GLU B 122 13.817 -9.333 -4.464 1.00 70.22 H new ATOM 0 HG2 GLU B 122 14.380 -7.409 -6.750 1.00 43.43 H new ATOM 0 HG3 GLU B 122 15.199 -8.946 -6.556 1.00 43.43 H new ATOM 1497 N PHE B 123 11.268 -7.462 -2.590 1.00 0.12 N ATOM 1498 CA PHE B 123 10.737 -7.651 -1.226 1.00 3.52 C ATOM 1499 C PHE B 123 11.067 -9.058 -0.678 1.00 3.23 C ATOM 1500 O PHE B 123 10.418 -10.042 -1.044 1.00 42.22 O ATOM 1501 CB PHE B 123 9.208 -7.414 -1.188 1.00 62.52 C ATOM 1502 CG PHE B 123 8.724 -6.009 -1.580 1.00 22.13 C ATOM 1503 CD1 PHE B 123 9.475 -4.876 -1.274 1.00 1.20 C ATOM 1504 CD2 PHE B 123 7.493 -5.825 -2.228 1.00 23.54 C ATOM 1505 CE1 PHE B 123 9.028 -3.607 -1.611 1.00 34.24 C ATOM 1506 CE2 PHE B 123 7.050 -4.557 -2.566 1.00 71.11 C ATOM 1507 CZ PHE B 123 7.817 -3.449 -2.255 1.00 43.53 C ATOM 0 H PHE B 123 10.560 -7.183 -3.270 1.00 0.12 H new ATOM 0 HA PHE B 123 11.223 -6.914 -0.587 1.00 3.52 H new ATOM 0 HB2 PHE B 123 8.734 -8.136 -1.852 1.00 62.52 H new ATOM 0 HB3 PHE B 123 8.854 -7.628 -0.180 1.00 62.52 H new ATOM 0 HD1 PHE B 123 10.421 -4.988 -0.766 1.00 1.20 H new ATOM 0 HD2 PHE B 123 6.883 -6.684 -2.466 1.00 23.54 H new ATOM 0 HE1 PHE B 123 9.628 -2.742 -1.369 1.00 34.24 H new ATOM 0 HE2 PHE B 123 6.104 -4.433 -3.073 1.00 71.11 H new ATOM 0 HZ PHE B 123 7.469 -2.460 -2.516 1.00 43.53 H new ATOM 1517 N ARG B 124 12.094 -9.100 0.188 1.00 24.04 N ATOM 1518 CA ARG B 124 12.622 -10.325 0.840 1.00 73.11 C ATOM 1519 C ARG B 124 11.501 -11.176 1.460 1.00 44.35 C ATOM 1520 O ARG B 124 11.419 -12.392 1.231 1.00 12.30 O ATOM 1521 CB ARG B 124 13.610 -9.897 1.956 1.00 14.43 C ATOM 1522 CG ARG B 124 14.330 -11.043 2.700 1.00 64.40 C ATOM 1523 CD ARG B 124 15.142 -10.538 3.908 1.00 43.45 C ATOM 1524 NE ARG B 124 16.023 -11.575 4.461 1.00 43.50 N ATOM 1525 CZ ARG B 124 16.797 -11.430 5.548 1.00 41.23 C ATOM 1526 NH1 ARG B 124 16.814 -10.288 6.237 1.00 72.23 N ATOM 1527 NH2 ARG B 124 17.556 -12.437 5.940 1.00 12.24 N ATOM 0 H ARG B 124 12.600 -8.259 0.467 1.00 24.04 H new ATOM 0 HA ARG B 124 13.118 -10.932 0.082 1.00 73.11 H new ATOM 0 HB2 ARG B 124 14.365 -9.246 1.515 1.00 14.43 H new ATOM 0 HB3 ARG B 124 13.064 -9.302 2.688 1.00 14.43 H new ATOM 0 HG2 ARG B 124 13.594 -11.772 3.039 1.00 64.40 H new ATOM 0 HG3 ARG B 124 14.995 -11.560 2.009 1.00 64.40 H new ATOM 0 HD2 ARG B 124 15.741 -9.679 3.607 1.00 43.45 H new ATOM 0 HD3 ARG B 124 14.458 -10.194 4.684 1.00 43.45 H new ATOM 0 HE ARG B 124 16.049 -12.475 3.982 1.00 43.50 H new ATOM 0 HH11 ARG B 124 16.232 -9.505 5.940 1.00 72.23 H new ATOM 0 HH12 ARG B 124 17.409 -10.198 7.060 1.00 72.23 H new ATOM 0 HH21 ARG B 124 17.550 -13.313 5.418 1.00 12.24 H new ATOM 0 HH22 ARG B 124 18.148 -12.338 6.765 1.00 12.24 H new ATOM 1541 N ASP B 125 10.644 -10.499 2.235 1.00 14.24 N ATOM 1542 CA ASP B 125 9.532 -11.134 2.955 1.00 53.03 C ATOM 1543 C ASP B 125 8.360 -10.142 3.051 1.00 11.50 C ATOM 1544 O ASP B 125 8.476 -9.077 3.676 1.00 24.42 O ATOM 1545 CB ASP B 125 9.996 -11.613 4.359 1.00 40.21 C ATOM 1546 CG ASP B 125 8.899 -12.345 5.155 1.00 32.22 C ATOM 1547 OD1 ASP B 125 8.644 -13.535 4.886 1.00 72.42 O ATOM 1548 OD2 ASP B 125 8.295 -11.741 6.052 1.00 70.14 O ATOM 0 H ASP B 125 10.702 -9.491 2.381 1.00 14.24 H new ATOM 0 HA ASP B 125 9.195 -12.016 2.410 1.00 53.03 H new ATOM 0 HB2 ASP B 125 10.853 -12.277 4.242 1.00 40.21 H new ATOM 0 HB3 ASP B 125 10.336 -10.751 4.933 1.00 40.21 H new ATOM 1553 N LEU B 126 7.249 -10.525 2.417 1.00 30.03 N ATOM 1554 CA LEU B 126 6.035 -9.724 2.276 1.00 73.21 C ATOM 1555 C LEU B 126 5.281 -9.556 3.616 1.00 54.20 C ATOM 1556 O LEU B 126 4.496 -8.613 3.781 1.00 45.15 O ATOM 1557 CB LEU B 126 5.126 -10.386 1.211 1.00 33.45 C ATOM 1558 CG LEU B 126 5.683 -10.438 -0.256 1.00 45.33 C ATOM 1559 CD1 LEU B 126 6.062 -9.040 -0.775 1.00 0.12 C ATOM 1560 CD2 LEU B 126 6.833 -11.465 -0.457 1.00 63.43 C ATOM 0 H LEU B 126 7.170 -11.439 1.971 1.00 30.03 H new ATOM 0 HA LEU B 126 6.317 -8.720 1.957 1.00 73.21 H new ATOM 0 HB2 LEU B 126 4.914 -11.406 1.531 1.00 33.45 H new ATOM 0 HB3 LEU B 126 4.176 -9.853 1.196 1.00 33.45 H new ATOM 0 HG LEU B 126 4.859 -10.805 -0.867 1.00 45.33 H new ATOM 0 HD11 LEU B 126 6.443 -9.121 -1.793 1.00 0.12 H new ATOM 0 HD12 LEU B 126 5.181 -8.398 -0.767 1.00 0.12 H new ATOM 0 HD13 LEU B 126 6.831 -8.610 -0.133 1.00 0.12 H new ATOM 0 HD21 LEU B 126 7.164 -11.442 -1.495 1.00 63.43 H new ATOM 0 HD22 LEU B 126 7.668 -11.209 0.196 1.00 63.43 H new ATOM 0 HD23 LEU B 126 6.475 -12.465 -0.213 1.00 63.43 H new ATOM 1572 N SER B 127 5.550 -10.470 4.558 1.00 64.00 N ATOM 1573 CA SER B 127 4.970 -10.440 5.908 1.00 43.11 C ATOM 1574 C SER B 127 5.721 -9.417 6.807 1.00 62.25 C ATOM 1575 O SER B 127 5.173 -8.953 7.810 1.00 12.33 O ATOM 1576 CB SER B 127 5.006 -11.868 6.507 1.00 43.21 C ATOM 1577 OG SER B 127 4.393 -11.926 7.782 1.00 35.43 O ATOM 0 H SER B 127 6.181 -11.257 4.404 1.00 64.00 H new ATOM 0 HA SER B 127 3.932 -10.112 5.855 1.00 43.11 H new ATOM 0 HB2 SER B 127 4.501 -12.557 5.831 1.00 43.21 H new ATOM 0 HB3 SER B 127 6.041 -12.201 6.587 1.00 43.21 H new ATOM 0 HG SER B 127 4.435 -12.843 8.124 1.00 35.43 H new ATOM 1583 N LYS B 128 6.982 -9.082 6.433 1.00 42.15 N ATOM 1584 CA LYS B 128 7.792 -8.039 7.117 1.00 2.41 C ATOM 1585 C LYS B 128 7.817 -6.719 6.311 1.00 74.24 C ATOM 1586 O LYS B 128 8.631 -5.826 6.596 1.00 74.31 O ATOM 1587 CB LYS B 128 9.235 -8.548 7.380 1.00 42.42 C ATOM 1588 CG LYS B 128 9.336 -9.688 8.424 1.00 4.53 C ATOM 1589 CD LYS B 128 10.797 -10.059 8.759 1.00 32.33 C ATOM 1590 CE LYS B 128 11.581 -10.581 7.541 1.00 33.13 C ATOM 1591 NZ LYS B 128 13.035 -10.736 7.840 1.00 33.53 N ATOM 0 H LYS B 128 7.465 -9.525 5.652 1.00 42.15 H new ATOM 0 HA LYS B 128 7.318 -7.831 8.076 1.00 2.41 H new ATOM 0 HB2 LYS B 128 9.661 -8.896 6.439 1.00 42.42 H new ATOM 0 HB3 LYS B 128 9.846 -7.710 7.716 1.00 42.42 H new ATOM 0 HG2 LYS B 128 8.823 -9.386 9.337 1.00 4.53 H new ATOM 0 HG3 LYS B 128 8.819 -10.570 8.045 1.00 4.53 H new ATOM 0 HD2 LYS B 128 11.305 -9.183 9.162 1.00 32.33 H new ATOM 0 HD3 LYS B 128 10.803 -10.819 9.540 1.00 32.33 H new ATOM 0 HE2 LYS B 128 11.170 -11.541 7.229 1.00 33.13 H new ATOM 0 HE3 LYS B 128 11.454 -9.893 6.705 1.00 33.13 H new ATOM 0 HZ1 LYS B 128 13.590 -10.172 7.166 1.00 33.53 H new ATOM 0 HZ2 LYS B 128 13.227 -10.407 8.808 1.00 33.53 H new ATOM 0 HZ3 LYS B 128 13.302 -11.738 7.755 1.00 33.53 H new ATOM 1605 N VAL B 129 6.935 -6.606 5.302 1.00 12.43 N ATOM 1606 CA VAL B 129 6.699 -5.345 4.585 1.00 45.04 C ATOM 1607 C VAL B 129 5.908 -4.401 5.515 1.00 13.22 C ATOM 1608 O VAL B 129 4.707 -4.589 5.741 1.00 11.00 O ATOM 1609 CB VAL B 129 5.977 -5.593 3.196 1.00 52.04 C ATOM 1610 CG1 VAL B 129 5.347 -4.309 2.601 1.00 41.04 C ATOM 1611 CG2 VAL B 129 6.971 -6.226 2.187 1.00 4.32 C ATOM 0 H VAL B 129 6.369 -7.384 4.963 1.00 12.43 H new ATOM 0 HA VAL B 129 7.648 -4.872 4.333 1.00 45.04 H new ATOM 0 HB VAL B 129 5.154 -6.282 3.385 1.00 52.04 H new ATOM 0 HG11 VAL B 129 4.868 -4.545 1.651 1.00 41.04 H new ATOM 0 HG12 VAL B 129 4.604 -3.914 3.293 1.00 41.04 H new ATOM 0 HG13 VAL B 129 6.125 -3.563 2.440 1.00 41.04 H new ATOM 0 HG21 VAL B 129 6.466 -6.393 1.235 1.00 4.32 H new ATOM 0 HG22 VAL B 129 7.815 -5.553 2.037 1.00 4.32 H new ATOM 0 HG23 VAL B 129 7.331 -7.177 2.579 1.00 4.32 H new ATOM 1621 N GLU B 130 6.633 -3.435 6.106 1.00 4.51 N ATOM 1622 CA GLU B 130 6.077 -2.471 7.059 1.00 14.22 C ATOM 1623 C GLU B 130 5.355 -1.347 6.305 1.00 35.40 C ATOM 1624 O GLU B 130 5.993 -0.449 5.736 1.00 74.52 O ATOM 1625 CB GLU B 130 7.188 -1.876 7.961 1.00 43.14 C ATOM 1626 CG GLU B 130 6.682 -0.812 8.974 1.00 72.20 C ATOM 1627 CD GLU B 130 7.748 -0.297 9.958 1.00 35.42 C ATOM 1628 OE1 GLU B 130 8.787 -0.962 10.139 1.00 10.43 O ATOM 1629 OE2 GLU B 130 7.543 0.779 10.562 1.00 44.31 O ATOM 0 H GLU B 130 7.629 -3.304 5.931 1.00 4.51 H new ATOM 0 HA GLU B 130 5.364 -2.994 7.697 1.00 14.22 H new ATOM 0 HB2 GLU B 130 7.667 -2.686 8.511 1.00 43.14 H new ATOM 0 HB3 GLU B 130 7.952 -1.425 7.328 1.00 43.14 H new ATOM 0 HG2 GLU B 130 6.281 0.036 8.419 1.00 72.20 H new ATOM 0 HG3 GLU B 130 5.857 -1.238 9.545 1.00 72.20 H new ATOM 1636 N PHE B 131 4.023 -1.422 6.288 1.00 0.22 N ATOM 1637 CA PHE B 131 3.167 -0.362 5.767 1.00 34.20 C ATOM 1638 C PHE B 131 3.277 0.838 6.716 1.00 12.23 C ATOM 1639 O PHE B 131 2.768 0.799 7.842 1.00 31.33 O ATOM 1640 CB PHE B 131 1.705 -0.865 5.644 1.00 13.12 C ATOM 1641 CG PHE B 131 1.565 -2.083 4.732 1.00 44.24 C ATOM 1642 CD1 PHE B 131 1.729 -3.378 5.230 1.00 60.31 C ATOM 1643 CD2 PHE B 131 1.307 -1.930 3.371 1.00 12.31 C ATOM 1644 CE1 PHE B 131 1.637 -4.473 4.395 1.00 23.33 C ATOM 1645 CE2 PHE B 131 1.223 -3.028 2.540 1.00 61.23 C ATOM 1646 CZ PHE B 131 1.389 -4.294 3.052 1.00 44.54 C ATOM 0 H PHE B 131 3.506 -2.228 6.639 1.00 0.22 H new ATOM 0 HA PHE B 131 3.484 -0.063 4.768 1.00 34.20 H new ATOM 0 HB2 PHE B 131 1.329 -1.116 6.636 1.00 13.12 H new ATOM 0 HB3 PHE B 131 1.080 -0.058 5.261 1.00 13.12 H new ATOM 0 HD1 PHE B 131 1.930 -3.524 6.281 1.00 60.31 H new ATOM 0 HD2 PHE B 131 1.171 -0.940 2.962 1.00 12.31 H new ATOM 0 HE1 PHE B 131 1.759 -5.469 4.794 1.00 23.33 H new ATOM 0 HE2 PHE B 131 1.027 -2.894 1.487 1.00 61.23 H new ATOM 0 HZ PHE B 131 1.325 -5.151 2.398 1.00 44.54 H new ATOM 1656 N VAL B 132 4.010 1.863 6.259 1.00 44.54 N ATOM 1657 CA VAL B 132 4.277 3.104 7.017 1.00 32.33 C ATOM 1658 C VAL B 132 2.956 3.805 7.404 1.00 45.02 C ATOM 1659 O VAL B 132 2.875 4.505 8.422 1.00 73.53 O ATOM 1660 CB VAL B 132 5.190 4.072 6.172 1.00 53.14 C ATOM 1661 CG1 VAL B 132 5.515 5.386 6.920 1.00 3.24 C ATOM 1662 CG2 VAL B 132 6.480 3.356 5.710 1.00 13.21 C ATOM 0 H VAL B 132 4.444 1.857 5.336 1.00 44.54 H new ATOM 0 HA VAL B 132 4.802 2.841 7.935 1.00 32.33 H new ATOM 0 HB VAL B 132 4.619 4.351 5.287 1.00 53.14 H new ATOM 0 HG11 VAL B 132 6.146 6.015 6.293 1.00 3.24 H new ATOM 0 HG12 VAL B 132 4.589 5.914 7.148 1.00 3.24 H new ATOM 0 HG13 VAL B 132 6.039 5.156 7.848 1.00 3.24 H new ATOM 0 HG21 VAL B 132 7.091 4.047 5.129 1.00 13.21 H new ATOM 0 HG22 VAL B 132 7.041 3.019 6.582 1.00 13.21 H new ATOM 0 HG23 VAL B 132 6.218 2.496 5.093 1.00 13.21 H new ATOM 1672 N GLY B 133 1.930 3.591 6.567 1.00 2.45 N ATOM 1673 CA GLY B 133 0.575 4.045 6.832 1.00 44.54 C ATOM 1674 C GLY B 133 0.026 4.851 5.678 1.00 45.31 C ATOM 1675 O GLY B 133 0.315 4.558 4.509 1.00 12.04 O ATOM 0 H GLY B 133 2.028 3.093 5.682 1.00 2.45 H new ATOM 0 HA2 GLY B 133 -0.069 3.185 7.015 1.00 44.54 H new ATOM 0 HA3 GLY B 133 0.564 4.651 7.738 1.00 44.54 H new ATOM 1679 N ALA B 134 -0.772 5.860 6.009 1.00 30.41 N ATOM 1680 CA ALA B 134 -1.341 6.793 5.043 1.00 3.22 C ATOM 1681 C ALA B 134 -1.666 8.098 5.771 1.00 72.50 C ATOM 1682 O ALA B 134 -2.220 8.076 6.878 1.00 40.14 O ATOM 1683 CB ALA B 134 -2.600 6.198 4.396 1.00 63.40 C ATOM 0 H ALA B 134 -1.046 6.056 6.972 1.00 30.41 H new ATOM 0 HA ALA B 134 -0.625 6.987 4.244 1.00 3.22 H new ATOM 0 HB1 ALA B 134 -3.011 6.908 3.678 1.00 63.40 H new ATOM 0 HB2 ALA B 134 -2.342 5.272 3.883 1.00 63.40 H new ATOM 0 HB3 ALA B 134 -3.342 5.991 5.167 1.00 63.40 H new ATOM 1689 N TYR B 135 -1.297 9.219 5.159 1.00 12.41 N ATOM 1690 CA TYR B 135 -1.459 10.564 5.736 1.00 33.04 C ATOM 1691 C TYR B 135 -2.581 11.325 5.000 1.00 14.00 C ATOM 1692 O TYR B 135 -2.899 10.968 3.876 1.00 15.43 O ATOM 1693 CB TYR B 135 -0.104 11.302 5.632 1.00 23.14 C ATOM 1694 CG TYR B 135 0.956 10.804 6.630 1.00 51.43 C ATOM 1695 CD1 TYR B 135 1.624 9.588 6.446 1.00 21.20 C ATOM 1696 CD2 TYR B 135 1.280 11.552 7.771 1.00 12.23 C ATOM 1697 CE1 TYR B 135 2.570 9.148 7.352 1.00 32.32 C ATOM 1698 CE2 TYR B 135 2.228 11.109 8.674 1.00 43.10 C ATOM 1699 CZ TYR B 135 2.867 9.911 8.458 1.00 24.50 C ATOM 1700 OH TYR B 135 3.817 9.475 9.355 1.00 72.35 O ATOM 0 H TYR B 135 -0.869 9.227 4.233 1.00 12.41 H new ATOM 0 HA TYR B 135 -1.749 10.500 6.785 1.00 33.04 H new ATOM 0 HB2 TYR B 135 0.283 11.189 4.619 1.00 23.14 H new ATOM 0 HB3 TYR B 135 -0.268 12.367 5.793 1.00 23.14 H new ATOM 0 HD1 TYR B 135 1.396 8.983 5.581 1.00 21.20 H new ATOM 0 HD2 TYR B 135 0.779 12.492 7.948 1.00 12.23 H new ATOM 0 HE1 TYR B 135 3.075 8.207 7.192 1.00 32.32 H new ATOM 0 HE2 TYR B 135 2.466 11.701 9.545 1.00 43.10 H new ATOM 0 HH TYR B 135 3.909 10.130 10.079 1.00 72.35 H new ATOM 1710 N PRO B 136 -3.206 12.391 5.610 1.00 34.33 N ATOM 1711 CA PRO B 136 -4.337 13.134 4.967 1.00 51.31 C ATOM 1712 C PRO B 136 -3.937 13.967 3.722 1.00 74.12 C ATOM 1713 O PRO B 136 -4.811 14.556 3.072 1.00 42.53 O ATOM 1714 CB PRO B 136 -4.858 14.029 6.120 1.00 51.23 C ATOM 1715 CG PRO B 136 -3.665 14.241 7.000 1.00 41.03 C ATOM 1716 CD PRO B 136 -2.899 12.938 6.969 1.00 64.14 C ATOM 0 HA PRO B 136 -5.083 12.452 4.559 1.00 51.31 H new ATOM 0 HB2 PRO B 136 -5.246 14.975 5.743 1.00 51.23 H new ATOM 0 HB3 PRO B 136 -5.670 13.545 6.662 1.00 51.23 H new ATOM 0 HG2 PRO B 136 -3.051 15.065 6.636 1.00 41.03 H new ATOM 0 HG3 PRO B 136 -3.968 14.493 8.016 1.00 41.03 H new ATOM 0 HD2 PRO B 136 -1.829 13.097 7.107 1.00 64.14 H new ATOM 0 HD3 PRO B 136 -3.225 12.261 7.758 1.00 64.14 H new ATOM 1724 N SER B 137 -2.636 13.996 3.395 1.00 54.43 N ATOM 1725 CA SER B 137 -2.116 14.715 2.218 1.00 52.22 C ATOM 1726 C SER B 137 -0.814 14.056 1.737 1.00 53.14 C ATOM 1727 O SER B 137 -0.129 13.362 2.513 1.00 61.42 O ATOM 1728 CB SER B 137 -1.890 16.212 2.546 1.00 22.21 C ATOM 1729 OG SER B 137 -1.373 16.931 1.433 1.00 52.33 O ATOM 0 H SER B 137 -1.914 13.522 3.938 1.00 54.43 H new ATOM 0 HA SER B 137 -2.852 14.658 1.416 1.00 52.22 H new ATOM 0 HB2 SER B 137 -2.833 16.660 2.861 1.00 22.21 H new ATOM 0 HB3 SER B 137 -1.200 16.299 3.385 1.00 22.21 H new ATOM 0 HG SER B 137 -1.246 17.871 1.681 1.00 52.33 H new ATOM 1735 N TYR B 138 -0.494 14.276 0.442 1.00 13.44 N ATOM 1736 CA TYR B 138 0.700 13.705 -0.202 1.00 15.02 C ATOM 1737 C TYR B 138 1.983 14.257 0.432 1.00 10.24 C ATOM 1738 O TYR B 138 2.894 13.492 0.696 1.00 72.45 O ATOM 1739 CB TYR B 138 0.696 13.964 -1.742 1.00 60.22 C ATOM 1740 CG TYR B 138 1.999 13.567 -2.492 1.00 50.10 C ATOM 1741 CD1 TYR B 138 2.711 12.399 -2.176 1.00 22.34 C ATOM 1742 CD2 TYR B 138 2.518 14.364 -3.517 1.00 61.41 C ATOM 1743 CE1 TYR B 138 3.877 12.055 -2.841 1.00 42.41 C ATOM 1744 CE2 TYR B 138 3.686 14.016 -4.186 1.00 64.44 C ATOM 1745 CZ TYR B 138 4.359 12.863 -3.840 1.00 32.23 C ATOM 1746 OH TYR B 138 5.515 12.508 -4.504 1.00 10.41 O ATOM 0 H TYR B 138 -1.058 14.854 -0.181 1.00 13.44 H new ATOM 0 HA TYR B 138 0.673 12.627 -0.042 1.00 15.02 H new ATOM 0 HB2 TYR B 138 -0.137 13.416 -2.183 1.00 60.22 H new ATOM 0 HB3 TYR B 138 0.507 15.024 -1.914 1.00 60.22 H new ATOM 0 HD1 TYR B 138 2.340 11.752 -1.395 1.00 22.34 H new ATOM 0 HD2 TYR B 138 2.000 15.270 -3.795 1.00 61.41 H new ATOM 0 HE1 TYR B 138 4.406 11.152 -2.573 1.00 42.41 H new ATOM 0 HE2 TYR B 138 4.066 14.648 -4.975 1.00 64.44 H new ATOM 0 HH TYR B 138 5.723 13.183 -5.183 1.00 10.41 H new ATOM 1756 N ASP B 139 2.032 15.583 0.663 1.00 1.21 N ATOM 1757 CA ASP B 139 3.220 16.276 1.236 1.00 2.21 C ATOM 1758 C ASP B 139 3.645 15.639 2.582 1.00 20.11 C ATOM 1759 O ASP B 139 4.842 15.481 2.863 1.00 24.14 O ATOM 1760 CB ASP B 139 2.926 17.793 1.429 1.00 23.01 C ATOM 1761 CG ASP B 139 4.192 18.634 1.723 1.00 61.24 C ATOM 1762 OD1 ASP B 139 4.660 18.673 2.881 1.00 64.32 O ATOM 1763 OD2 ASP B 139 4.725 19.281 0.790 1.00 21.34 O ATOM 0 H ASP B 139 1.254 16.211 0.461 1.00 1.21 H new ATOM 0 HA ASP B 139 4.044 16.163 0.531 1.00 2.21 H new ATOM 0 HB2 ASP B 139 2.444 18.179 0.531 1.00 23.01 H new ATOM 0 HB3 ASP B 139 2.219 17.917 2.249 1.00 23.01 H new ATOM 1768 N GLU B 140 2.629 15.247 3.370 1.00 1.45 N ATOM 1769 CA GLU B 140 2.804 14.610 4.683 1.00 24.20 C ATOM 1770 C GLU B 140 3.407 13.203 4.525 1.00 52.23 C ATOM 1771 O GLU B 140 4.318 12.816 5.268 1.00 3.35 O ATOM 1772 CB GLU B 140 1.440 14.520 5.415 1.00 50.01 C ATOM 1773 CG GLU B 140 0.635 15.832 5.459 1.00 63.34 C ATOM 1774 CD GLU B 140 1.428 17.023 6.019 1.00 64.44 C ATOM 1775 OE1 GLU B 140 1.630 17.088 7.246 1.00 25.20 O ATOM 1776 OE2 GLU B 140 1.857 17.895 5.234 1.00 42.54 O ATOM 0 H GLU B 140 1.651 15.366 3.108 1.00 1.45 H new ATOM 0 HA GLU B 140 3.489 15.218 5.274 1.00 24.20 H new ATOM 0 HB2 GLU B 140 0.834 13.756 4.928 1.00 50.01 H new ATOM 0 HB3 GLU B 140 1.615 14.185 6.437 1.00 50.01 H new ATOM 0 HG2 GLU B 140 0.295 16.074 4.452 1.00 63.34 H new ATOM 0 HG3 GLU B 140 -0.256 15.681 6.068 1.00 63.34 H new ATOM 1783 N ALA B 141 2.895 12.455 3.522 1.00 10.35 N ATOM 1784 CA ALA B 141 3.334 11.085 3.234 1.00 15.10 C ATOM 1785 C ALA B 141 4.739 11.088 2.593 1.00 71.23 C ATOM 1786 O ALA B 141 5.583 10.222 2.863 1.00 71.55 O ATOM 1787 CB ALA B 141 2.299 10.415 2.315 1.00 71.04 C ATOM 0 H ALA B 141 2.166 12.791 2.893 1.00 10.35 H new ATOM 0 HA ALA B 141 3.405 10.517 4.162 1.00 15.10 H new ATOM 0 HB1 ALA B 141 2.615 9.395 2.094 1.00 71.04 H new ATOM 0 HB2 ALA B 141 1.330 10.395 2.813 1.00 71.04 H new ATOM 0 HB3 ALA B 141 2.218 10.979 1.386 1.00 71.04 H new ATOM 1793 N HIS B 142 4.990 12.134 1.803 1.00 25.10 N ATOM 1794 CA HIS B 142 6.225 12.315 1.039 1.00 24.31 C ATOM 1795 C HIS B 142 7.392 12.630 1.986 1.00 15.40 C ATOM 1796 O HIS B 142 8.535 12.259 1.718 1.00 71.43 O ATOM 1797 CB HIS B 142 6.009 13.448 0.005 1.00 71.22 C ATOM 1798 CG HIS B 142 7.165 13.745 -0.906 1.00 74.24 C ATOM 1799 ND1 HIS B 142 7.334 14.979 -1.496 1.00 51.33 N ATOM 1800 CD2 HIS B 142 8.185 12.976 -1.356 1.00 50.30 C ATOM 1801 CE1 HIS B 142 8.390 14.952 -2.276 1.00 53.32 C ATOM 1802 NE2 HIS B 142 8.926 13.752 -2.206 1.00 70.20 N ATOM 0 H HIS B 142 4.324 12.896 1.674 1.00 25.10 H new ATOM 0 HA HIS B 142 6.477 11.398 0.507 1.00 24.31 H new ATOM 0 HB2 HIS B 142 5.146 13.191 -0.609 1.00 71.22 H new ATOM 0 HB3 HIS B 142 5.755 14.360 0.545 1.00 71.22 H new ATOM 0 HD1 HIS B 142 6.731 15.789 -1.349 1.00 51.33 H new ATOM 0 HD2 HIS B 142 8.377 11.946 -1.094 1.00 50.30 H new ATOM 0 HE1 HIS B 142 8.756 15.774 -2.873 1.00 53.32 H new ATOM 1811 N LYS B 143 7.080 13.308 3.097 1.00 11.42 N ATOM 1812 CA LYS B 143 8.066 13.616 4.141 1.00 0.22 C ATOM 1813 C LYS B 143 8.287 12.382 5.037 1.00 63.31 C ATOM 1814 O LYS B 143 9.416 12.113 5.468 1.00 52.20 O ATOM 1815 CB LYS B 143 7.589 14.823 4.997 1.00 13.51 C ATOM 1816 CG LYS B 143 8.701 15.447 5.868 1.00 5.24 C ATOM 1817 CD LYS B 143 9.832 16.067 5.010 1.00 71.01 C ATOM 1818 CE LYS B 143 9.336 17.262 4.172 1.00 64.45 C ATOM 1819 NZ LYS B 143 10.408 17.846 3.316 1.00 23.05 N ATOM 0 H LYS B 143 6.143 13.657 3.297 1.00 11.42 H new ATOM 0 HA LYS B 143 9.010 13.881 3.665 1.00 0.22 H new ATOM 0 HB2 LYS B 143 7.186 15.589 4.335 1.00 13.51 H new ATOM 0 HB3 LYS B 143 6.773 14.499 5.643 1.00 13.51 H new ATOM 0 HG2 LYS B 143 8.270 16.216 6.510 1.00 5.24 H new ATOM 0 HG3 LYS B 143 9.120 14.683 6.523 1.00 5.24 H new ATOM 0 HD2 LYS B 143 10.643 16.393 5.661 1.00 71.01 H new ATOM 0 HD3 LYS B 143 10.242 15.305 4.347 1.00 71.01 H new ATOM 0 HE2 LYS B 143 8.508 16.940 3.541 1.00 64.45 H new ATOM 0 HE3 LYS B 143 8.948 18.032 4.838 1.00 64.45 H new ATOM 0 HZ1 LYS B 143 10.022 18.645 2.774 1.00 23.05 H new ATOM 0 HZ2 LYS B 143 11.189 18.180 3.917 1.00 23.05 H new ATOM 0 HZ3 LYS B 143 10.762 17.121 2.660 1.00 23.05 H new ATOM 1833 N ALA B 144 7.183 11.635 5.275 1.00 13.42 N ATOM 1834 CA ALA B 144 7.166 10.419 6.118 1.00 1.51 C ATOM 1835 C ALA B 144 8.166 9.356 5.642 1.00 15.31 C ATOM 1836 O ALA B 144 8.725 8.626 6.456 1.00 62.02 O ATOM 1837 CB ALA B 144 5.761 9.818 6.150 1.00 31.12 C ATOM 0 H ALA B 144 6.270 11.863 4.882 1.00 13.42 H new ATOM 0 HA ALA B 144 7.465 10.727 7.120 1.00 1.51 H new ATOM 0 HB1 ALA B 144 5.762 8.924 6.773 1.00 31.12 H new ATOM 0 HB2 ALA B 144 5.063 10.547 6.562 1.00 31.12 H new ATOM 0 HB3 ALA B 144 5.455 9.554 5.138 1.00 31.12 H new ATOM 1843 N TRP B 145 8.361 9.298 4.315 1.00 40.50 N ATOM 1844 CA TRP B 145 9.320 8.402 3.649 1.00 4.54 C ATOM 1845 C TRP B 145 10.742 8.544 4.262 1.00 42.21 C ATOM 1846 O TRP B 145 11.327 7.559 4.731 1.00 61.54 O ATOM 1847 CB TRP B 145 9.282 8.702 2.107 1.00 43.05 C ATOM 1848 CG TRP B 145 10.613 8.601 1.385 1.00 4.42 C ATOM 1849 CD1 TRP B 145 11.251 7.470 0.968 1.00 43.35 C ATOM 1850 CD2 TRP B 145 11.470 9.699 1.029 1.00 11.44 C ATOM 1851 NE1 TRP B 145 12.447 7.798 0.386 1.00 24.32 N ATOM 1852 CE2 TRP B 145 12.604 9.157 0.409 1.00 24.10 C ATOM 1853 CE3 TRP B 145 11.376 11.093 1.182 1.00 25.54 C ATOM 1854 CZ2 TRP B 145 13.643 9.959 -0.062 1.00 42.40 C ATOM 1855 CZ3 TRP B 145 12.401 11.882 0.715 1.00 72.41 C ATOM 1856 CH2 TRP B 145 13.518 11.317 0.101 1.00 51.42 C ATOM 0 H TRP B 145 7.845 9.886 3.661 1.00 40.50 H new ATOM 0 HA TRP B 145 9.041 7.360 3.806 1.00 4.54 H new ATOM 0 HB2 TRP B 145 8.582 8.011 1.638 1.00 43.05 H new ATOM 0 HB3 TRP B 145 8.885 9.707 1.960 1.00 43.05 H new ATOM 0 HD1 TRP B 145 10.870 6.466 1.080 1.00 43.35 H new ATOM 0 HE1 TRP B 145 13.116 7.133 -0.003 1.00 24.32 H new ATOM 0 HE3 TRP B 145 10.514 11.537 1.658 1.00 25.54 H new ATOM 0 HZ2 TRP B 145 14.513 9.529 -0.537 1.00 42.40 H new ATOM 0 HZ3 TRP B 145 12.340 12.955 0.825 1.00 72.41 H new ATOM 0 HH2 TRP B 145 14.306 11.964 -0.256 1.00 51.42 H new ATOM 1867 N LYS B 146 11.275 9.782 4.271 1.00 22.44 N ATOM 1868 CA LYS B 146 12.636 10.062 4.791 1.00 30.41 C ATOM 1869 C LYS B 146 12.640 10.132 6.326 1.00 2.13 C ATOM 1870 O LYS B 146 13.633 9.780 6.961 1.00 31.44 O ATOM 1871 CB LYS B 146 13.205 11.362 4.151 1.00 24.35 C ATOM 1872 CG LYS B 146 14.500 11.910 4.796 1.00 72.12 C ATOM 1873 CD LYS B 146 15.099 13.130 4.061 1.00 30.40 C ATOM 1874 CE LYS B 146 15.624 12.781 2.664 1.00 52.11 C ATOM 1875 NZ LYS B 146 16.187 13.968 1.970 1.00 32.05 N ATOM 0 H LYS B 146 10.786 10.607 3.924 1.00 22.44 H new ATOM 0 HA LYS B 146 13.290 9.238 4.508 1.00 30.41 H new ATOM 0 HB2 LYS B 146 13.398 11.172 3.095 1.00 24.35 H new ATOM 0 HB3 LYS B 146 12.439 12.136 4.201 1.00 24.35 H new ATOM 0 HG2 LYS B 146 14.290 12.188 5.829 1.00 72.12 H new ATOM 0 HG3 LYS B 146 15.244 11.114 4.825 1.00 72.12 H new ATOM 0 HD2 LYS B 146 14.339 13.906 3.975 1.00 30.40 H new ATOM 0 HD3 LYS B 146 15.912 13.545 4.657 1.00 30.40 H new ATOM 0 HE2 LYS B 146 16.391 12.011 2.747 1.00 52.11 H new ATOM 0 HE3 LYS B 146 14.815 12.361 2.067 1.00 52.11 H new ATOM 0 HZ1 LYS B 146 16.531 13.689 1.029 1.00 32.05 H new ATOM 0 HZ2 LYS B 146 15.449 14.693 1.868 1.00 32.05 H new ATOM 0 HZ3 LYS B 146 16.976 14.354 2.527 1.00 32.05 H new ATOM 1889 N ALA B 147 11.500 10.549 6.910 1.00 33.24 N ATOM 1890 CA ALA B 147 11.302 10.577 8.373 1.00 32.14 C ATOM 1891 C ALA B 147 11.442 9.163 8.978 1.00 51.55 C ATOM 1892 O ALA B 147 11.854 9.008 10.127 1.00 3.22 O ATOM 1893 CB ALA B 147 9.928 11.175 8.713 1.00 45.10 C ATOM 0 H ALA B 147 10.691 10.876 6.382 1.00 33.24 H new ATOM 0 HA ALA B 147 12.076 11.208 8.810 1.00 32.14 H new ATOM 0 HB1 ALA B 147 9.795 11.190 9.795 1.00 45.10 H new ATOM 0 HB2 ALA B 147 9.868 12.192 8.326 1.00 45.10 H new ATOM 0 HB3 ALA B 147 9.145 10.568 8.259 1.00 45.10 H new ATOM 1899 N LYS B 148 11.089 8.151 8.168 1.00 3.25 N ATOM 1900 CA LYS B 148 11.270 6.733 8.497 1.00 70.03 C ATOM 1901 C LYS B 148 12.705 6.286 8.213 1.00 61.40 C ATOM 1902 O LYS B 148 13.365 5.760 9.092 1.00 65.51 O ATOM 1903 CB LYS B 148 10.267 5.868 7.684 1.00 71.51 C ATOM 1904 CG LYS B 148 8.815 5.970 8.179 1.00 43.31 C ATOM 1905 CD LYS B 148 8.625 5.396 9.597 1.00 4.11 C ATOM 1906 CE LYS B 148 8.959 3.901 9.668 1.00 4.13 C ATOM 1907 NZ LYS B 148 8.687 3.334 11.017 1.00 30.45 N ATOM 0 H LYS B 148 10.664 8.301 7.253 1.00 3.25 H new ATOM 0 HA LYS B 148 11.077 6.599 9.561 1.00 70.03 H new ATOM 0 HB2 LYS B 148 10.306 6.170 6.638 1.00 71.51 H new ATOM 0 HB3 LYS B 148 10.583 4.826 7.727 1.00 71.51 H new ATOM 0 HG2 LYS B 148 8.506 7.015 8.171 1.00 43.31 H new ATOM 0 HG3 LYS B 148 8.162 5.439 7.487 1.00 43.31 H new ATOM 0 HD2 LYS B 148 9.259 5.942 10.296 1.00 4.11 H new ATOM 0 HD3 LYS B 148 7.594 5.551 9.915 1.00 4.11 H new ATOM 0 HE2 LYS B 148 8.373 3.363 8.923 1.00 4.13 H new ATOM 0 HE3 LYS B 148 10.009 3.751 9.416 1.00 4.13 H new ATOM 0 HZ1 LYS B 148 8.267 2.388 10.918 1.00 30.45 H new ATOM 0 HZ2 LYS B 148 9.577 3.263 11.550 1.00 30.45 H new ATOM 0 HZ3 LYS B 148 8.026 3.954 11.527 1.00 30.45 H new ATOM 1921 N ALA B 149 13.174 6.539 6.979 1.00 63.14 N ATOM 1922 CA ALA B 149 14.480 6.043 6.487 1.00 43.11 C ATOM 1923 C ALA B 149 15.673 6.519 7.350 1.00 53.34 C ATOM 1924 O ALA B 149 16.652 5.778 7.544 1.00 24.21 O ATOM 1925 CB ALA B 149 14.672 6.452 5.026 1.00 63.32 C ATOM 0 H ALA B 149 12.662 7.092 6.292 1.00 63.14 H new ATOM 0 HA ALA B 149 14.462 4.956 6.565 1.00 43.11 H new ATOM 0 HB1 ALA B 149 15.634 6.085 4.669 1.00 63.32 H new ATOM 0 HB2 ALA B 149 13.873 6.024 4.420 1.00 63.32 H new ATOM 0 HB3 ALA B 149 14.646 7.539 4.946 1.00 63.32 H new ATOM 1931 N GLN B 150 15.570 7.758 7.860 1.00 70.21 N ATOM 1932 CA GLN B 150 16.554 8.339 8.795 1.00 3.15 C ATOM 1933 C GLN B 150 16.416 7.712 10.192 1.00 71.21 C ATOM 1934 O GLN B 150 17.415 7.521 10.890 1.00 61.44 O ATOM 1935 CB GLN B 150 16.379 9.880 8.876 1.00 22.25 C ATOM 1936 CG GLN B 150 16.756 10.631 7.591 1.00 32.31 C ATOM 1937 CD GLN B 150 16.547 12.151 7.665 1.00 30.31 C ATOM 1938 OE1 GLN B 150 17.321 12.920 7.091 1.00 51.51 O ATOM 1939 NE2 GLN B 150 15.465 12.593 8.300 1.00 40.55 N ATOM 0 H GLN B 150 14.800 8.388 7.636 1.00 70.21 H new ATOM 0 HA GLN B 150 17.553 8.119 8.418 1.00 3.15 H new ATOM 0 HB2 GLN B 150 15.340 10.103 9.121 1.00 22.25 H new ATOM 0 HB3 GLN B 150 16.988 10.260 9.696 1.00 22.25 H new ATOM 0 HG2 GLN B 150 17.802 10.430 7.360 1.00 32.31 H new ATOM 0 HG3 GLN B 150 16.165 10.234 6.765 1.00 32.31 H new ATOM 0 HE21 GLN B 150 14.842 11.933 8.766 1.00 40.55 H new ATOM 0 HE22 GLN B 150 15.258 13.592 8.321 1.00 40.55 H new ATOM 1948 N ALA B 151 15.167 7.404 10.579 1.00 75.12 N ATOM 1949 CA ALA B 151 14.858 6.779 11.885 1.00 41.05 C ATOM 1950 C ALA B 151 15.328 5.314 11.932 1.00 62.31 C ATOM 1951 O ALA B 151 15.680 4.789 12.996 1.00 2.43 O ATOM 1952 CB ALA B 151 13.346 6.868 12.167 1.00 31.15 C ATOM 0 H ALA B 151 14.344 7.578 10.002 1.00 75.12 H new ATOM 0 HA ALA B 151 15.399 7.325 12.658 1.00 41.05 H new ATOM 0 HB1 ALA B 151 13.128 6.406 13.130 1.00 31.15 H new ATOM 0 HB2 ALA B 151 13.041 7.914 12.189 1.00 31.15 H new ATOM 0 HB3 ALA B 151 12.798 6.347 11.382 1.00 31.15 H new ATOM 1958 N THR B 152 15.355 4.675 10.751 1.00 74.30 N ATOM 1959 CA THR B 152 15.578 3.230 10.609 1.00 2.11 C ATOM 1960 C THR B 152 17.023 2.914 10.177 1.00 1.14 C ATOM 1961 O THR B 152 17.254 2.103 9.277 1.00 52.45 O ATOM 1962 CB THR B 152 14.538 2.643 9.597 1.00 72.51 C ATOM 1963 OG1 THR B 152 14.640 3.304 8.328 1.00 32.31 O ATOM 1964 CG2 THR B 152 13.102 2.773 10.136 1.00 63.45 C ATOM 0 H THR B 152 15.221 5.153 9.860 1.00 74.30 H new ATOM 0 HA THR B 152 15.436 2.757 11.581 1.00 2.11 H new ATOM 0 HB THR B 152 14.765 1.585 9.468 1.00 72.51 H new ATOM 0 HG1 THR B 152 14.240 4.196 8.391 1.00 32.31 H new ATOM 0 HG21 THR B 152 12.402 2.357 9.411 1.00 63.45 H new ATOM 0 HG22 THR B 152 13.016 2.230 11.077 1.00 63.45 H new ATOM 0 HG23 THR B 152 12.870 3.825 10.302 1.00 63.45 H new ATOM 1972 N VAL B 153 17.992 3.543 10.861 1.00 51.31 N ATOM 1973 CA VAL B 153 19.437 3.299 10.626 1.00 52.14 C ATOM 1974 C VAL B 153 19.853 1.869 11.043 1.00 31.30 C ATOM 1975 O VAL B 153 20.811 1.305 10.504 1.00 32.23 O ATOM 1976 CB VAL B 153 20.329 4.356 11.377 1.00 52.10 C ATOM 1977 CG1 VAL B 153 20.134 5.769 10.783 1.00 23.42 C ATOM 1978 CG2 VAL B 153 20.061 4.352 12.903 1.00 64.24 C ATOM 0 H VAL B 153 17.805 4.232 11.589 1.00 51.31 H new ATOM 0 HA VAL B 153 19.600 3.404 9.553 1.00 52.14 H new ATOM 0 HB VAL B 153 21.370 4.067 11.229 1.00 52.10 H new ATOM 0 HG11 VAL B 153 20.762 6.480 11.321 1.00 23.42 H new ATOM 0 HG12 VAL B 153 20.413 5.763 9.729 1.00 23.42 H new ATOM 0 HG13 VAL B 153 19.089 6.063 10.879 1.00 23.42 H new ATOM 0 HG21 VAL B 153 20.696 5.095 13.386 1.00 64.24 H new ATOM 0 HG22 VAL B 153 19.014 4.593 13.089 1.00 64.24 H new ATOM 0 HG23 VAL B 153 20.284 3.365 13.309 1.00 64.24 H new ATOM 1988 N ASP B 154 19.110 1.307 12.009 1.00 35.10 N ATOM 1989 CA ASP B 154 19.330 -0.062 12.513 1.00 73.31 C ATOM 1990 C ASP B 154 18.813 -1.128 11.527 1.00 41.44 C ATOM 1991 O ASP B 154 19.273 -2.268 11.566 1.00 25.22 O ATOM 1992 CB ASP B 154 18.657 -0.237 13.898 1.00 42.45 C ATOM 1993 CG ASP B 154 19.342 0.572 15.010 1.00 4.13 C ATOM 1994 OD1 ASP B 154 19.097 1.791 15.109 1.00 33.32 O ATOM 1995 OD2 ASP B 154 20.148 -0.008 15.775 1.00 43.40 O ATOM 0 H ASP B 154 18.336 1.789 12.466 1.00 35.10 H new ATOM 0 HA ASP B 154 20.406 -0.206 12.616 1.00 73.31 H new ATOM 0 HB2 ASP B 154 17.612 0.066 13.828 1.00 42.45 H new ATOM 0 HB3 ASP B 154 18.665 -1.293 14.168 1.00 42.45 H new ATOM 2000 N ASN B 155 17.850 -0.752 10.660 1.00 71.31 N ATOM 2001 CA ASN B 155 17.305 -1.665 9.626 1.00 61.31 C ATOM 2002 C ASN B 155 18.369 -1.952 8.550 1.00 73.12 C ATOM 2003 O ASN B 155 18.978 -1.023 8.007 1.00 32.31 O ATOM 2004 CB ASN B 155 16.015 -1.090 8.984 1.00 13.12 C ATOM 2005 CG ASN B 155 14.800 -1.227 9.906 1.00 31.51 C ATOM 2006 OD1 ASN B 155 14.519 -0.356 10.726 1.00 33.10 O ATOM 2007 ND2 ASN B 155 14.086 -2.347 9.807 1.00 22.35 N ATOM 0 H ASN B 155 17.431 0.178 10.653 1.00 71.31 H new ATOM 0 HA ASN B 155 17.039 -2.603 10.113 1.00 61.31 H new ATOM 0 HB2 ASN B 155 16.169 -0.038 8.742 1.00 13.12 H new ATOM 0 HB3 ASN B 155 15.817 -1.607 8.045 1.00 13.12 H new ATOM 0 HD21 ASN B 155 13.285 -2.497 10.420 1.00 22.35 H new ATOM 0 HD22 ASN B 155 14.340 -3.055 9.118 1.00 22.35 H new ATOM 2014 N ALA B 156 18.575 -3.251 8.267 1.00 3.43 N ATOM 2015 CA ALA B 156 19.625 -3.734 7.351 1.00 34.44 C ATOM 2016 C ALA B 156 19.287 -3.420 5.879 1.00 1.40 C ATOM 2017 O ALA B 156 19.943 -2.595 5.241 1.00 41.33 O ATOM 2018 CB ALA B 156 19.849 -5.248 7.565 1.00 61.41 C ATOM 0 H ALA B 156 18.013 -4.001 8.670 1.00 3.43 H new ATOM 0 HA ALA B 156 20.551 -3.206 7.580 1.00 34.44 H new ATOM 0 HB1 ALA B 156 20.626 -5.600 6.886 1.00 61.41 H new ATOM 0 HB2 ALA B 156 20.158 -5.428 8.595 1.00 61.41 H new ATOM 0 HB3 ALA B 156 18.922 -5.785 7.365 1.00 61.41 H new ATOM 2024 N HIS B 157 18.250 -4.093 5.350 1.00 21.44 N ATOM 2025 CA HIS B 157 17.818 -3.960 3.938 1.00 1.51 C ATOM 2026 C HIS B 157 16.392 -3.401 3.843 1.00 14.43 C ATOM 2027 O HIS B 157 15.842 -3.306 2.747 1.00 35.32 O ATOM 2028 CB HIS B 157 17.873 -5.336 3.214 1.00 64.25 C ATOM 2029 CG HIS B 157 19.234 -5.967 3.057 1.00 65.42 C ATOM 2030 ND1 HIS B 157 19.625 -6.586 1.893 1.00 32.42 N ATOM 2031 CD2 HIS B 157 20.257 -6.156 3.927 1.00 41.34 C ATOM 2032 CE1 HIS B 157 20.815 -7.124 2.057 1.00 52.45 C ATOM 2033 NE2 HIS B 157 21.220 -6.878 3.278 1.00 5.42 N ATOM 0 H HIS B 157 17.683 -4.748 5.888 1.00 21.44 H new ATOM 0 HA HIS B 157 18.504 -3.265 3.454 1.00 1.51 H new ATOM 0 HB2 HIS B 157 17.236 -6.033 3.759 1.00 64.25 H new ATOM 0 HB3 HIS B 157 17.438 -5.216 2.222 1.00 64.25 H new ATOM 0 HD2 HIS B 157 20.303 -5.801 4.946 1.00 41.34 H new ATOM 0 HE1 HIS B 157 21.365 -7.676 1.310 1.00 52.45 H new ATOM 0 HE2 HIS B 157 22.109 -7.176 3.679 1.00 5.42 H new ATOM 2042 N ALA B 158 15.805 -3.041 4.989 1.00 2.34 N ATOM 2043 CA ALA B 158 14.429 -2.523 5.042 1.00 32.00 C ATOM 2044 C ALA B 158 14.389 -1.076 4.540 1.00 13.31 C ATOM 2045 O ALA B 158 14.717 -0.140 5.275 1.00 20.11 O ATOM 2046 CB ALA B 158 13.832 -2.650 6.452 1.00 51.14 C ATOM 0 H ALA B 158 16.263 -3.098 5.899 1.00 2.34 H new ATOM 0 HA ALA B 158 13.809 -3.130 4.382 1.00 32.00 H new ATOM 0 HB1 ALA B 158 12.815 -2.258 6.453 1.00 51.14 H new ATOM 0 HB2 ALA B 158 13.816 -3.699 6.747 1.00 51.14 H new ATOM 0 HB3 ALA B 158 14.440 -2.084 7.157 1.00 51.14 H new ATOM 2052 N ARG B 159 14.032 -0.917 3.254 1.00 12.14 N ATOM 2053 CA ARG B 159 13.959 0.390 2.595 1.00 40.12 C ATOM 2054 C ARG B 159 12.493 0.818 2.511 1.00 72.12 C ATOM 2055 O ARG B 159 11.626 0.030 2.118 1.00 43.34 O ATOM 2056 CB ARG B 159 14.600 0.346 1.179 1.00 31.44 C ATOM 2057 CG ARG B 159 14.897 1.732 0.565 1.00 53.00 C ATOM 2058 CD ARG B 159 15.889 2.516 1.433 1.00 3.11 C ATOM 2059 NE ARG B 159 16.242 3.827 0.870 1.00 72.45 N ATOM 2060 CZ ARG B 159 17.207 4.622 1.361 1.00 71.33 C ATOM 2061 NH1 ARG B 159 17.916 4.259 2.432 1.00 61.32 N ATOM 2062 NH2 ARG B 159 17.465 5.774 0.767 1.00 4.33 N ATOM 0 H ARG B 159 13.786 -1.697 2.644 1.00 12.14 H new ATOM 0 HA ARG B 159 14.522 1.117 3.180 1.00 40.12 H new ATOM 0 HB2 ARG B 159 15.530 -0.220 1.233 1.00 31.44 H new ATOM 0 HB3 ARG B 159 13.934 -0.198 0.510 1.00 31.44 H new ATOM 0 HG2 ARG B 159 15.304 1.609 -0.439 1.00 53.00 H new ATOM 0 HG3 ARG B 159 13.970 2.296 0.466 1.00 53.00 H new ATOM 0 HD2 ARG B 159 15.460 2.658 2.425 1.00 3.11 H new ATOM 0 HD3 ARG B 159 16.797 1.926 1.559 1.00 3.11 H new ATOM 0 HE ARG B 159 15.722 4.153 0.056 1.00 72.45 H new ATOM 0 HH11 ARG B 159 17.728 3.367 2.889 1.00 61.32 H new ATOM 0 HH12 ARG B 159 18.646 4.874 2.793 1.00 61.32 H new ATOM 0 HH21 ARG B 159 16.933 6.053 -0.057 1.00 4.33 H new ATOM 0 HH22 ARG B 159 18.196 6.384 1.133 1.00 4.33 H new ATOM 2076 N TYR B 160 12.234 2.066 2.901 1.00 12.44 N ATOM 2077 CA TYR B 160 10.895 2.644 2.957 1.00 65.53 C ATOM 2078 C TYR B 160 10.665 3.529 1.726 1.00 2.23 C ATOM 2079 O TYR B 160 11.495 4.384 1.410 1.00 51.23 O ATOM 2080 CB TYR B 160 10.740 3.421 4.288 1.00 14.01 C ATOM 2081 CG TYR B 160 10.868 2.493 5.515 1.00 22.14 C ATOM 2082 CD1 TYR B 160 12.121 2.082 5.986 1.00 43.12 C ATOM 2083 CD2 TYR B 160 9.742 1.989 6.163 1.00 2.34 C ATOM 2084 CE1 TYR B 160 12.235 1.211 7.051 1.00 64.34 C ATOM 2085 CE2 TYR B 160 9.855 1.123 7.235 1.00 11.24 C ATOM 2086 CZ TYR B 160 11.104 0.736 7.670 1.00 30.21 C ATOM 2087 OH TYR B 160 11.223 -0.128 8.739 1.00 4.11 O ATOM 0 H TYR B 160 12.965 2.715 3.192 1.00 12.44 H new ATOM 0 HA TYR B 160 10.133 1.865 2.936 1.00 65.53 H new ATOM 0 HB2 TYR B 160 11.498 4.202 4.343 1.00 14.01 H new ATOM 0 HB3 TYR B 160 9.770 3.917 4.308 1.00 14.01 H new ATOM 0 HD1 TYR B 160 13.015 2.453 5.507 1.00 43.12 H new ATOM 0 HD2 TYR B 160 8.760 2.281 5.821 1.00 2.34 H new ATOM 0 HE1 TYR B 160 13.211 0.904 7.397 1.00 64.34 H new ATOM 0 HE2 TYR B 160 8.969 0.752 7.729 1.00 11.24 H new ATOM 0 HH TYR B 160 10.336 -0.307 9.115 1.00 4.11 H new ATOM 2097 N PHE B 161 9.548 3.266 1.034 1.00 70.22 N ATOM 2098 CA PHE B 161 9.164 3.925 -0.231 1.00 42.05 C ATOM 2099 C PHE B 161 7.790 4.614 -0.082 1.00 21.22 C ATOM 2100 O PHE B 161 7.240 4.722 1.028 1.00 62.42 O ATOM 2101 CB PHE B 161 9.079 2.867 -1.371 1.00 24.41 C ATOM 2102 CG PHE B 161 10.378 2.123 -1.677 1.00 63.43 C ATOM 2103 CD1 PHE B 161 11.382 2.731 -2.426 1.00 14.12 C ATOM 2104 CD2 PHE B 161 10.578 0.805 -1.246 1.00 5.45 C ATOM 2105 CE1 PHE B 161 12.546 2.055 -2.732 1.00 14.25 C ATOM 2106 CE2 PHE B 161 11.744 0.130 -1.552 1.00 73.01 C ATOM 2107 CZ PHE B 161 12.727 0.756 -2.294 1.00 43.54 C ATOM 0 H PHE B 161 8.867 2.572 1.342 1.00 70.22 H new ATOM 0 HA PHE B 161 9.918 4.673 -0.475 1.00 42.05 H new ATOM 0 HB2 PHE B 161 8.315 2.135 -1.108 1.00 24.41 H new ATOM 0 HB3 PHE B 161 8.743 3.365 -2.281 1.00 24.41 H new ATOM 0 HD1 PHE B 161 11.248 3.745 -2.772 1.00 14.12 H new ATOM 0 HD2 PHE B 161 9.811 0.311 -0.668 1.00 5.45 H new ATOM 0 HE1 PHE B 161 13.315 2.541 -3.314 1.00 14.25 H new ATOM 0 HE2 PHE B 161 11.887 -0.885 -1.212 1.00 73.01 H new ATOM 0 HZ PHE B 161 13.639 0.229 -2.533 1.00 43.54 H new ATOM 2117 N ILE B 162 7.248 5.080 -1.227 1.00 63.41 N ATOM 2118 CA ILE B 162 5.877 5.621 -1.336 1.00 41.34 C ATOM 2119 C ILE B 162 5.170 4.884 -2.504 1.00 51.33 C ATOM 2120 O ILE B 162 5.833 4.221 -3.309 1.00 22.01 O ATOM 2121 CB ILE B 162 5.883 7.187 -1.610 1.00 43.33 C ATOM 2122 CG1 ILE B 162 6.950 7.914 -0.735 1.00 43.51 C ATOM 2123 CG2 ILE B 162 4.481 7.803 -1.368 1.00 1.12 C ATOM 2124 CD1 ILE B 162 7.113 9.389 -1.046 1.00 13.34 C ATOM 0 H ILE B 162 7.756 5.091 -2.111 1.00 63.41 H new ATOM 0 HA ILE B 162 5.351 5.462 -0.395 1.00 41.34 H new ATOM 0 HB ILE B 162 6.147 7.330 -2.658 1.00 43.33 H new ATOM 0 HG12 ILE B 162 6.678 7.804 0.315 1.00 43.51 H new ATOM 0 HG13 ILE B 162 7.911 7.418 -0.869 1.00 43.51 H new ATOM 0 HG21 ILE B 162 4.516 8.875 -1.563 1.00 1.12 H new ATOM 0 HG22 ILE B 162 3.758 7.336 -2.037 1.00 1.12 H new ATOM 0 HG23 ILE B 162 4.182 7.632 -0.334 1.00 1.12 H new ATOM 0 HD11 ILE B 162 7.874 9.817 -0.393 1.00 13.34 H new ATOM 0 HD12 ILE B 162 7.418 9.510 -2.086 1.00 13.34 H new ATOM 0 HD13 ILE B 162 6.165 9.902 -0.884 1.00 13.34 H new ATOM 2136 N ILE B 163 3.836 4.992 -2.576 1.00 44.22 N ATOM 2137 CA ILE B 163 3.010 4.457 -3.677 1.00 52.25 C ATOM 2138 C ILE B 163 1.863 5.446 -3.968 1.00 14.11 C ATOM 2139 O ILE B 163 1.226 5.932 -3.045 1.00 13.30 O ATOM 2140 CB ILE B 163 2.398 3.031 -3.335 1.00 54.12 C ATOM 2141 CG1 ILE B 163 3.451 1.892 -3.517 1.00 12.41 C ATOM 2142 CG2 ILE B 163 1.132 2.734 -4.164 1.00 24.31 C ATOM 2143 CD1 ILE B 163 2.895 0.473 -3.405 1.00 52.21 C ATOM 0 H ILE B 163 3.286 5.463 -1.858 1.00 44.22 H new ATOM 0 HA ILE B 163 3.653 4.337 -4.549 1.00 52.25 H new ATOM 0 HB ILE B 163 2.110 3.061 -2.284 1.00 54.12 H new ATOM 0 HG12 ILE B 163 3.921 2.006 -4.494 1.00 12.41 H new ATOM 0 HG13 ILE B 163 4.234 2.019 -2.769 1.00 12.41 H new ATOM 0 HG21 ILE B 163 0.746 1.750 -3.899 1.00 24.31 H new ATOM 0 HG22 ILE B 163 0.374 3.489 -3.954 1.00 24.31 H new ATOM 0 HG23 ILE B 163 1.379 2.753 -5.225 1.00 24.31 H new ATOM 0 HD11 ILE B 163 3.702 -0.246 -3.546 1.00 52.21 H new ATOM 0 HD12 ILE B 163 2.452 0.333 -2.419 1.00 52.21 H new ATOM 0 HD13 ILE B 163 2.134 0.319 -4.170 1.00 52.21 H new ATOM 2155 N HIS B 164 1.582 5.687 -5.261 1.00 52.15 N ATOM 2156 CA HIS B 164 0.450 6.530 -5.692 1.00 71.04 C ATOM 2157 C HIS B 164 -0.870 5.754 -5.575 1.00 34.32 C ATOM 2158 O HIS B 164 -1.106 4.788 -6.314 1.00 12.24 O ATOM 2159 CB HIS B 164 0.644 7.082 -7.137 1.00 14.41 C ATOM 2160 CG HIS B 164 0.973 6.071 -8.213 1.00 61.34 C ATOM 2161 ND1 HIS B 164 2.090 5.331 -8.442 1.00 61.04 N flip ATOM 2162 CD2 HIS B 164 0.133 5.806 -9.270 1.00 25.13 C flip ATOM 2163 CE1 HIS B 164 1.900 4.656 -9.615 1.00 52.33 C flip ATOM 2164 NE2 HIS B 164 0.714 4.957 -10.094 1.00 25.15 N flip ATOM 0 H HIS B 164 2.129 5.306 -6.033 1.00 52.15 H new ATOM 0 HA HIS B 164 0.412 7.392 -5.026 1.00 71.04 H new ATOM 0 HB2 HIS B 164 -0.268 7.603 -7.427 1.00 14.41 H new ATOM 0 HB3 HIS B 164 1.441 7.825 -7.113 1.00 14.41 H new ATOM 0 HD2 HIS B 164 -0.852 6.229 -9.404 1.00 25.13 H new ATOM 0 HE1 HIS B 164 2.610 3.984 -10.074 1.00 52.33 H new ATOM 0 HE2 HIS B 164 0.311 4.595 -10.958 1.00 25.15 H new ATOM 2173 N ALA B 165 -1.701 6.158 -4.603 1.00 65.42 N ATOM 2174 CA ALA B 165 -3.046 5.610 -4.412 1.00 42.44 C ATOM 2175 C ALA B 165 -4.075 6.562 -5.036 1.00 72.32 C ATOM 2176 O ALA B 165 -4.457 7.575 -4.438 1.00 11.10 O ATOM 2177 CB ALA B 165 -3.316 5.382 -2.925 1.00 73.34 C ATOM 0 H ALA B 165 -1.454 6.879 -3.925 1.00 65.42 H new ATOM 0 HA ALA B 165 -3.127 4.644 -4.910 1.00 42.44 H new ATOM 0 HB1 ALA B 165 -4.319 4.975 -2.796 1.00 73.34 H new ATOM 0 HB2 ALA B 165 -2.584 4.679 -2.526 1.00 73.34 H new ATOM 0 HB3 ALA B 165 -3.238 6.329 -2.392 1.00 73.34 H new ATOM 2183 N HIS B 166 -4.460 6.249 -6.273 1.00 43.40 N ATOM 2184 CA HIS B 166 -5.461 7.007 -7.042 1.00 1.24 C ATOM 2185 C HIS B 166 -6.116 6.045 -8.040 1.00 1.24 C ATOM 2186 O HIS B 166 -7.353 5.937 -8.110 1.00 44.42 O ATOM 2187 CB HIS B 166 -4.814 8.212 -7.777 1.00 12.35 C ATOM 2188 CG HIS B 166 -5.812 9.149 -8.412 1.00 40.41 C ATOM 2189 ND1 HIS B 166 -6.164 10.352 -7.845 1.00 41.13 N ATOM 2190 CD2 HIS B 166 -6.548 9.053 -9.552 1.00 13.45 C ATOM 2191 CE1 HIS B 166 -7.066 10.945 -8.595 1.00 22.04 C ATOM 2192 NE2 HIS B 166 -7.315 10.181 -9.637 1.00 43.45 N ATOM 0 H HIS B 166 -4.082 5.450 -6.782 1.00 43.40 H new ATOM 0 HA HIS B 166 -6.212 7.418 -6.367 1.00 1.24 H new ATOM 0 HB2 HIS B 166 -4.204 8.772 -7.068 1.00 12.35 H new ATOM 0 HB3 HIS B 166 -4.142 7.836 -8.548 1.00 12.35 H new ATOM 0 HD2 HIS B 166 -6.530 8.237 -10.259 1.00 13.45 H new ATOM 0 HE1 HIS B 166 -7.526 11.900 -8.390 1.00 22.04 H new ATOM 0 HE2 HIS B 166 -7.973 10.396 -10.386 1.00 43.45 H new ATOM 2201 N LYS B 167 -5.260 5.344 -8.819 1.00 0.33 N ATOM 2202 CA LYS B 167 -5.700 4.255 -9.707 1.00 11.05 C ATOM 2203 C LYS B 167 -5.528 2.925 -8.958 1.00 13.43 C ATOM 2204 O LYS B 167 -4.478 2.270 -9.010 1.00 34.11 O ATOM 2205 CB LYS B 167 -4.943 4.237 -11.073 1.00 12.42 C ATOM 2206 CG LYS B 167 -5.366 3.072 -12.020 1.00 4.40 C ATOM 2207 CD LYS B 167 -6.897 3.020 -12.290 1.00 40.13 C ATOM 2208 CE LYS B 167 -7.333 1.766 -13.080 1.00 51.11 C ATOM 2209 NZ LYS B 167 -6.835 1.774 -14.480 1.00 1.24 N ATOM 0 H LYS B 167 -4.255 5.519 -8.847 1.00 0.33 H new ATOM 0 HA LYS B 167 -6.748 4.416 -9.960 1.00 11.05 H new ATOM 0 HB2 LYS B 167 -5.113 5.185 -11.583 1.00 12.42 H new ATOM 0 HB3 LYS B 167 -3.872 4.165 -10.882 1.00 12.42 H new ATOM 0 HG2 LYS B 167 -4.841 3.176 -12.969 1.00 4.40 H new ATOM 0 HG3 LYS B 167 -5.049 2.125 -11.583 1.00 4.40 H new ATOM 0 HD2 LYS B 167 -7.428 3.045 -11.339 1.00 40.13 H new ATOM 0 HD3 LYS B 167 -7.192 3.911 -12.844 1.00 40.13 H new ATOM 0 HE2 LYS B 167 -6.965 0.874 -12.572 1.00 51.11 H new ATOM 0 HE3 LYS B 167 -8.421 1.704 -13.085 1.00 51.11 H new ATOM 0 HZ1 LYS B 167 -7.154 0.912 -14.967 1.00 1.24 H new ATOM 0 HZ2 LYS B 167 -7.206 2.610 -14.976 1.00 1.24 H new ATOM 0 HZ3 LYS B 167 -5.795 1.806 -14.479 1.00 1.24 H new ATOM 2223 N LEU B 168 -6.551 2.594 -8.188 1.00 75.33 N ATOM 2224 CA LEU B 168 -6.664 1.323 -7.490 1.00 61.21 C ATOM 2225 C LEU B 168 -6.988 0.214 -8.509 1.00 62.45 C ATOM 2226 O LEU B 168 -7.978 0.324 -9.249 1.00 11.31 O ATOM 2227 CB LEU B 168 -7.770 1.442 -6.411 1.00 61.13 C ATOM 2228 CG LEU B 168 -7.427 2.249 -5.108 1.00 13.45 C ATOM 2229 CD1 LEU B 168 -6.308 1.565 -4.301 1.00 11.54 C ATOM 2230 CD2 LEU B 168 -7.105 3.740 -5.378 1.00 2.00 C ATOM 0 H LEU B 168 -7.344 3.215 -8.027 1.00 75.33 H new ATOM 0 HA LEU B 168 -5.726 1.067 -6.997 1.00 61.21 H new ATOM 0 HB2 LEU B 168 -8.643 1.904 -6.873 1.00 61.13 H new ATOM 0 HB3 LEU B 168 -8.062 0.434 -6.116 1.00 61.13 H new ATOM 0 HG LEU B 168 -8.332 2.243 -4.501 1.00 13.45 H new ATOM 0 HD11 LEU B 168 -6.095 2.150 -3.406 1.00 11.54 H new ATOM 0 HD12 LEU B 168 -6.627 0.563 -4.013 1.00 11.54 H new ATOM 0 HD13 LEU B 168 -5.408 1.497 -4.912 1.00 11.54 H new ATOM 0 HD21 LEU B 168 -6.877 4.239 -4.436 1.00 2.00 H new ATOM 0 HD22 LEU B 168 -6.245 3.812 -6.044 1.00 2.00 H new ATOM 0 HD23 LEU B 168 -7.966 4.220 -5.844 1.00 2.00 H new ATOM 2242 N LEU B 169 -6.143 -0.831 -8.553 1.00 52.14 N ATOM 2243 CA LEU B 169 -6.318 -1.962 -9.471 1.00 11.23 C ATOM 2244 C LEU B 169 -7.456 -2.839 -8.947 1.00 63.04 C ATOM 2245 O LEU B 169 -7.252 -3.694 -8.079 1.00 42.01 O ATOM 2246 CB LEU B 169 -5.004 -2.787 -9.607 1.00 74.25 C ATOM 2247 CG LEU B 169 -3.745 -1.996 -10.063 1.00 61.04 C ATOM 2248 CD1 LEU B 169 -2.518 -2.931 -10.155 1.00 40.43 C ATOM 2249 CD2 LEU B 169 -3.990 -1.245 -11.391 1.00 24.23 C ATOM 0 H LEU B 169 -5.322 -0.912 -7.953 1.00 52.14 H new ATOM 0 HA LEU B 169 -6.565 -1.587 -10.464 1.00 11.23 H new ATOM 0 HB2 LEU B 169 -4.788 -3.250 -8.644 1.00 74.25 H new ATOM 0 HB3 LEU B 169 -5.178 -3.595 -10.318 1.00 74.25 H new ATOM 0 HG LEU B 169 -3.535 -1.239 -9.308 1.00 61.04 H new ATOM 0 HD11 LEU B 169 -1.648 -2.359 -10.476 1.00 40.43 H new ATOM 0 HD12 LEU B 169 -2.322 -3.372 -9.178 1.00 40.43 H new ATOM 0 HD13 LEU B 169 -2.717 -3.723 -10.877 1.00 40.43 H new ATOM 0 HD21 LEU B 169 -3.087 -0.705 -11.675 1.00 24.23 H new ATOM 0 HD22 LEU B 169 -4.246 -1.961 -12.172 1.00 24.23 H new ATOM 0 HD23 LEU B 169 -4.810 -0.539 -11.264 1.00 24.23 H new ATOM 2261 N ASP B 170 -8.668 -2.563 -9.428 1.00 31.30 N ATOM 2262 CA ASP B 170 -9.868 -3.312 -9.033 1.00 21.12 C ATOM 2263 C ASP B 170 -10.238 -4.311 -10.155 1.00 62.30 C ATOM 2264 O ASP B 170 -10.600 -3.888 -11.261 1.00 74.41 O ATOM 2265 CB ASP B 170 -11.033 -2.354 -8.729 1.00 31.34 C ATOM 2266 CG ASP B 170 -12.235 -3.072 -8.092 1.00 61.34 C ATOM 2267 OD1 ASP B 170 -13.077 -3.613 -8.830 1.00 63.42 O ATOM 2268 OD2 ASP B 170 -12.343 -3.111 -6.847 1.00 23.04 O ATOM 0 H ASP B 170 -8.849 -1.817 -10.100 1.00 31.30 H new ATOM 0 HA ASP B 170 -9.662 -3.870 -8.120 1.00 21.12 H new ATOM 0 HB2 ASP B 170 -10.687 -1.567 -8.059 1.00 31.34 H new ATOM 0 HB3 ASP B 170 -11.351 -1.869 -9.652 1.00 31.34 H new ATOM 2273 N PRO B 171 -10.142 -5.649 -9.891 1.00 44.41 N ATOM 2274 CA PRO B 171 -10.454 -6.716 -10.887 1.00 51.03 C ATOM 2275 C PRO B 171 -11.945 -6.753 -11.313 1.00 32.13 C ATOM 2276 O PRO B 171 -12.260 -7.184 -12.428 1.00 63.15 O ATOM 2277 CB PRO B 171 -10.058 -8.024 -10.150 1.00 21.44 C ATOM 2278 CG PRO B 171 -9.201 -7.583 -9.004 1.00 1.33 C ATOM 2279 CD PRO B 171 -9.714 -6.233 -8.601 1.00 75.51 C ATOM 0 HA PRO B 171 -9.918 -6.553 -11.822 1.00 51.03 H new ATOM 0 HB2 PRO B 171 -10.939 -8.561 -9.799 1.00 21.44 H new ATOM 0 HB3 PRO B 171 -9.515 -8.700 -10.811 1.00 21.44 H new ATOM 0 HG2 PRO B 171 -9.265 -8.288 -8.175 1.00 1.33 H new ATOM 0 HG3 PRO B 171 -8.153 -7.530 -9.298 1.00 1.33 H new ATOM 0 HD2 PRO B 171 -10.542 -6.308 -7.896 1.00 75.51 H new ATOM 0 HD3 PRO B 171 -8.941 -5.633 -8.121 1.00 75.51 H new