USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 188 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 254 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 190 SER OG : rot 103:sc= 1.28 USER MOD Set 2.2: A 193 GLN : amide:sc= -1.47 K(o=-0.2,f=0.54) USER MOD Set 3.1: A 191 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.17) USER MOD Single : A 167 MET CE :methyl -179:sc= 0 (180deg=-0.000556) USER MOD Single : A 173 TYR OH : rot 5:sc= -2.02 USER MOD Single : A 175 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.131) USER MOD Single : A 177 GLN : amide:sc= -3.55! C(o=-3.5!,f=-6.2!) USER MOD Single : A 184 TYR OH : rot 180:sc= -6.09! USER MOD Single : A 196 HIS : no HD1:sc= -1.85 K(o=-1.8,f=0) USER MOD Single : A 202 MET CE :methyl -173:sc= -4.28 (180deg=-4.54!) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot -55:sc= 0.0314 USER MOD Single : A 207 MET CE :methyl 169:sc= -5.92! (180deg=-6.76!) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 214 THR OG1 : rot 171:sc= -0.884 USER MOD Single : A 216 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.6!) USER MOD Single : A 223 CYS SG : rot -25:sc= 0.0748 USER MOD Single : A 224 SER OG : rot -44:sc= 0.0406 USER MOD Single : A 226 ASN : amide:sc= -0.885 K(o=-0.89,f=-2.8!) USER MOD Single : A 227 GLN : amide:sc= 1.19 K(o=1.2,f=-0.22) USER MOD Single : A 232 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.024) USER MOD Single : A 242 SER OG : rot -130:sc= -0.0147 USER MOD Single : A 243 HIS : no HE2:sc= -5.67! C(o=-5.7!,f=-8.1!) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -2.594 -8.413 -12.137 1.00 5.98 N ATOM 2 CA GLY A 164 -2.970 -7.861 -10.813 1.00 5.08 C ATOM 3 C GLY A 164 -4.320 -7.175 -10.841 1.00 4.07 C ATOM 4 O GLY A 164 -4.539 -6.187 -10.142 1.00 4.09 O ATOM 0 HA2 GLY A 164 -2.989 -8.666 -10.078 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -2.210 -7.150 -10.489 1.00 5.08 H new ATOM 10 N SER A 165 -5.234 -7.700 -11.646 1.00 3.59 N ATOM 11 CA SER A 165 -6.549 -7.102 -11.796 1.00 3.14 C ATOM 12 C SER A 165 -7.537 -7.734 -10.818 1.00 2.20 C ATOM 13 O SER A 165 -8.569 -8.274 -11.215 1.00 2.60 O ATOM 14 CB SER A 165 -7.036 -7.281 -13.233 1.00 3.93 C ATOM 15 OG SER A 165 -6.068 -6.816 -14.164 1.00 4.65 O ATOM 0 H SER A 165 -5.086 -8.540 -12.205 1.00 3.59 H new ATOM 0 HA SER A 165 -6.481 -6.037 -11.574 1.00 3.14 H new ATOM 0 HB2 SER A 165 -7.248 -8.334 -13.420 1.00 3.93 H new ATOM 0 HB3 SER A 165 -7.970 -6.738 -13.374 1.00 3.93 H new ATOM 0 HG SER A 165 -6.404 -6.943 -15.076 1.00 4.65 H new ATOM 21 N HIS A 166 -7.206 -7.672 -9.540 1.00 1.55 N ATOM 22 CA HIS A 166 -8.056 -8.234 -8.499 1.00 0.98 C ATOM 23 C HIS A 166 -8.600 -7.129 -7.604 1.00 0.85 C ATOM 24 O HIS A 166 -7.874 -6.217 -7.213 1.00 1.45 O ATOM 25 CB HIS A 166 -7.290 -9.275 -7.665 1.00 1.69 C ATOM 26 CG HIS A 166 -5.959 -8.800 -7.154 1.00 2.07 C ATOM 27 ND1 HIS A 166 -5.832 -8.180 -5.932 1.00 2.94 N ATOM 28 CD2 HIS A 166 -4.740 -8.874 -7.741 1.00 2.43 C ATOM 29 CE1 HIS A 166 -4.547 -7.892 -5.806 1.00 3.54 C ATOM 30 NE2 HIS A 166 -3.848 -8.293 -6.879 1.00 3.27 N ATOM 0 H HIS A 166 -6.351 -7.236 -9.195 1.00 1.55 H new ATOM 0 HA HIS A 166 -8.895 -8.737 -8.980 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -7.908 -9.569 -6.817 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -7.136 -10.167 -8.272 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -4.515 -9.308 -8.704 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -4.115 -7.397 -4.949 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -2.844 -8.186 -7.025 1.00 3.27 H new ATOM 38 N MET A 167 -9.883 -7.204 -7.288 1.00 0.64 N ATOM 39 CA MET A 167 -10.512 -6.198 -6.451 1.00 0.52 C ATOM 40 C MET A 167 -10.582 -6.684 -5.005 1.00 0.40 C ATOM 41 O MET A 167 -10.945 -5.929 -4.105 1.00 0.39 O ATOM 42 CB MET A 167 -11.915 -5.862 -6.969 1.00 0.71 C ATOM 43 CG MET A 167 -12.564 -4.686 -6.252 1.00 0.99 C ATOM 44 SD MET A 167 -14.232 -4.343 -6.838 1.00 0.96 S ATOM 45 CE MET A 167 -14.672 -2.948 -5.803 1.00 1.20 C ATOM 0 H MET A 167 -10.507 -7.949 -7.598 1.00 0.64 H new ATOM 0 HA MET A 167 -9.908 -5.292 -6.488 1.00 0.52 H new ATOM 0 HB2 MET A 167 -11.856 -5.640 -8.034 1.00 0.71 H new ATOM 0 HB3 MET A 167 -12.553 -6.739 -6.861 1.00 0.71 H new ATOM 0 HG2 MET A 167 -12.595 -4.892 -5.182 1.00 0.99 H new ATOM 0 HG3 MET A 167 -11.947 -3.798 -6.388 1.00 0.99 H new ATOM 0 HE1 MET A 167 -15.689 -2.630 -6.034 1.00 1.20 H new ATOM 0 HE2 MET A 167 -14.613 -3.240 -4.754 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.983 -2.125 -5.990 1.00 1.20 H new ATOM 55 N ALA A 168 -10.215 -7.947 -4.793 1.00 0.41 N ATOM 56 CA ALA A 168 -10.222 -8.548 -3.458 1.00 0.40 C ATOM 57 C ALA A 168 -9.402 -7.721 -2.481 1.00 0.31 C ATOM 58 O ALA A 168 -9.864 -7.392 -1.386 1.00 0.35 O ATOM 59 CB ALA A 168 -9.687 -9.969 -3.509 1.00 0.53 C ATOM 0 H ALA A 168 -9.907 -8.578 -5.533 1.00 0.41 H new ATOM 0 HA ALA A 168 -11.254 -8.570 -3.109 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -9.700 -10.399 -2.507 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -10.312 -10.570 -4.170 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -8.664 -9.959 -3.886 1.00 0.53 H new ATOM 65 N ALA A 169 -8.187 -7.385 -2.883 1.00 0.28 N ATOM 66 CA ALA A 169 -7.318 -6.558 -2.067 1.00 0.24 C ATOM 67 C ALA A 169 -7.915 -5.169 -1.884 1.00 0.20 C ATOM 68 O ALA A 169 -7.890 -4.609 -0.785 1.00 0.19 O ATOM 69 CB ALA A 169 -5.940 -6.461 -2.697 1.00 0.31 C ATOM 0 H ALA A 169 -7.781 -7.674 -3.773 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.223 -7.023 -1.086 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.298 -5.838 -2.074 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -5.507 -7.458 -2.780 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -6.024 -6.018 -3.689 1.00 0.31 H new ATOM 75 N LEU A 170 -8.471 -4.626 -2.967 1.00 0.21 N ATOM 76 CA LEU A 170 -9.010 -3.275 -2.949 1.00 0.19 C ATOM 77 C LEU A 170 -10.180 -3.158 -1.993 1.00 0.16 C ATOM 78 O LEU A 170 -10.114 -2.397 -1.035 1.00 0.17 O ATOM 79 CB LEU A 170 -9.458 -2.828 -4.337 1.00 0.23 C ATOM 80 CG LEU A 170 -9.928 -1.373 -4.396 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.737 -0.431 -4.420 1.00 0.29 C ATOM 82 CD2 LEU A 170 -10.838 -1.133 -5.587 1.00 0.29 C ATOM 0 H LEU A 170 -8.558 -5.104 -3.864 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.202 -2.626 -2.610 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -8.632 -2.962 -5.036 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.268 -3.475 -4.673 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.509 -1.169 -3.496 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -9.089 0.600 -4.462 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -8.141 -0.575 -3.518 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -8.125 -0.641 -5.297 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -11.154 -0.090 -5.599 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.300 -1.360 -6.507 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -11.714 -1.777 -5.511 1.00 0.29 H new ATOM 94 N GLU A 171 -11.244 -3.917 -2.248 1.00 0.19 N ATOM 95 CA GLU A 171 -12.456 -3.818 -1.445 1.00 0.24 C ATOM 96 C GLU A 171 -12.150 -4.103 0.020 1.00 0.22 C ATOM 97 O GLU A 171 -12.733 -3.488 0.914 1.00 0.26 O ATOM 98 CB GLU A 171 -13.536 -4.777 -1.951 1.00 0.36 C ATOM 99 CG GLU A 171 -13.148 -6.243 -1.859 1.00 1.00 C ATOM 100 CD GLU A 171 -14.324 -7.172 -2.053 1.00 1.16 C ATOM 101 OE1 GLU A 171 -14.987 -7.510 -1.048 1.00 1.46 O ATOM 102 OE2 GLU A 171 -14.593 -7.568 -3.206 1.00 1.10 O ATOM 0 H GLU A 171 -11.289 -4.603 -3.001 1.00 0.19 H new ATOM 0 HA GLU A 171 -12.834 -2.800 -1.537 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -14.449 -4.616 -1.378 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -13.765 -4.536 -2.989 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -12.390 -6.462 -2.611 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -12.696 -6.434 -0.886 1.00 1.00 H new ATOM 109 N GLY A 172 -11.224 -5.032 0.244 1.00 0.19 N ATOM 110 CA GLY A 172 -10.813 -5.374 1.585 1.00 0.22 C ATOM 111 C GLY A 172 -10.145 -4.220 2.298 1.00 0.19 C ATOM 112 O GLY A 172 -10.582 -3.815 3.379 1.00 0.22 O ATOM 0 H GLY A 172 -10.750 -5.556 -0.491 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.683 -5.696 2.157 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -10.126 -6.220 1.547 1.00 0.22 H new ATOM 116 N TYR A 173 -9.088 -3.673 1.699 1.00 0.17 N ATOM 117 CA TYR A 173 -8.348 -2.598 2.334 1.00 0.16 C ATOM 118 C TYR A 173 -9.177 -1.326 2.363 1.00 0.16 C ATOM 119 O TYR A 173 -9.138 -0.588 3.332 1.00 0.18 O ATOM 120 CB TYR A 173 -7.008 -2.347 1.644 1.00 0.17 C ATOM 121 CG TYR A 173 -6.181 -1.292 2.341 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.847 -1.420 3.684 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.751 -0.159 1.664 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.112 -0.450 4.331 1.00 0.20 C ATOM 125 CE2 TYR A 173 -5.009 0.813 2.305 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.697 0.665 3.638 1.00 0.19 C ATOM 127 OH TYR A 173 -3.969 1.636 4.284 1.00 0.24 O ATOM 0 H TYR A 173 -8.733 -3.956 0.786 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.137 -2.906 3.358 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.444 -3.279 1.606 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.187 -2.040 0.613 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.169 -2.294 4.230 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -6.001 -0.036 0.620 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.863 -0.564 5.376 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.675 1.686 1.763 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.770 1.342 5.197 1.00 0.24 H new ATOM 137 N ARG A 174 -9.927 -1.071 1.299 1.00 0.18 N ATOM 138 CA ARG A 174 -10.874 0.041 1.257 1.00 0.23 C ATOM 139 C ARG A 174 -11.865 -0.048 2.410 1.00 0.23 C ATOM 140 O ARG A 174 -12.177 0.972 3.029 1.00 0.25 O ATOM 141 CB ARG A 174 -11.621 0.054 -0.072 1.00 0.31 C ATOM 142 CG ARG A 174 -12.906 0.862 -0.054 1.00 0.93 C ATOM 143 CD ARG A 174 -13.965 0.211 -0.924 1.00 0.74 C ATOM 144 NE ARG A 174 -14.355 -1.100 -0.402 1.00 1.05 N ATOM 145 CZ ARG A 174 -15.586 -1.599 -0.489 1.00 1.35 C ATOM 146 NH1 ARG A 174 -16.522 -0.940 -1.160 1.00 1.31 N ATOM 147 NH2 ARG A 174 -15.869 -2.774 0.063 1.00 2.09 N ATOM 0 H ARG A 174 -9.898 -1.625 0.443 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.310 0.969 1.355 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -10.963 0.456 -0.842 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -11.854 -0.972 -0.355 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -13.272 0.948 0.969 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -12.709 1.874 -0.409 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -14.841 0.858 -0.978 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -13.586 0.101 -1.940 1.00 0.74 H new ATOM 0 HE ARG A 174 -13.640 -1.665 0.056 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -16.298 -0.052 -1.609 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -17.466 -1.322 -1.227 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -15.143 -3.295 0.554 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -16.813 -3.155 -0.004 1.00 2.09 H new ATOM 161 N LYS A 175 -12.344 -1.238 2.721 1.00 0.22 N ATOM 162 CA LYS A 175 -13.266 -1.385 3.835 1.00 0.25 C ATOM 163 C LYS A 175 -12.544 -1.086 5.153 1.00 0.24 C ATOM 164 O LYS A 175 -13.169 -0.740 6.154 1.00 0.29 O ATOM 165 CB LYS A 175 -13.890 -2.780 3.845 1.00 0.26 C ATOM 166 CG LYS A 175 -15.255 -2.815 4.508 1.00 0.89 C ATOM 167 CD LYS A 175 -15.823 -4.220 4.569 1.00 0.84 C ATOM 168 CE LYS A 175 -17.319 -4.198 4.835 1.00 1.71 C ATOM 169 NZ LYS A 175 -17.673 -3.288 5.957 1.00 2.34 N ATOM 0 H LYS A 175 -12.117 -2.103 2.230 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.078 -0.667 3.718 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -13.981 -3.139 2.820 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -13.222 -3.467 4.365 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -15.178 -2.411 5.518 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -15.941 -2.170 3.959 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -15.626 -4.736 3.629 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -15.320 -4.785 5.354 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -17.843 -3.882 3.933 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -17.661 -5.207 5.065 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -18.644 -3.487 6.273 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -17.014 -3.439 6.747 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -17.609 -2.301 5.637 1.00 2.34 H new ATOM 183 N GLU A 176 -11.222 -1.204 5.129 1.00 0.20 N ATOM 184 CA GLU A 176 -10.391 -0.851 6.272 1.00 0.18 C ATOM 185 C GLU A 176 -10.202 0.668 6.313 1.00 0.20 C ATOM 186 O GLU A 176 -10.440 1.311 7.335 1.00 0.44 O ATOM 187 CB GLU A 176 -9.023 -1.547 6.160 1.00 0.19 C ATOM 188 CG GLU A 176 -8.133 -1.386 7.386 1.00 0.24 C ATOM 189 CD GLU A 176 -8.504 -2.333 8.510 1.00 0.34 C ATOM 190 OE1 GLU A 176 -9.695 -2.678 8.636 1.00 0.70 O ATOM 191 OE2 GLU A 176 -7.613 -2.719 9.291 1.00 0.69 O ATOM 0 H GLU A 176 -10.699 -1.545 4.322 1.00 0.20 H new ATOM 0 HA GLU A 176 -10.879 -1.179 7.190 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.183 -2.610 5.980 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.498 -1.152 5.290 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.095 -1.557 7.101 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.200 -0.359 7.745 1.00 0.24 H new ATOM 198 N GLN A 177 -9.789 1.224 5.170 1.00 0.29 N ATOM 199 CA GLN A 177 -9.521 2.657 5.018 1.00 0.22 C ATOM 200 C GLN A 177 -10.674 3.524 5.502 1.00 0.25 C ATOM 201 O GLN A 177 -10.485 4.384 6.353 1.00 0.25 O ATOM 202 CB GLN A 177 -9.249 2.995 3.551 1.00 0.21 C ATOM 203 CG GLN A 177 -8.160 2.158 2.915 1.00 0.20 C ATOM 204 CD GLN A 177 -7.904 2.540 1.471 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.539 2.017 0.558 1.00 0.24 O ATOM 206 NE2 GLN A 177 -6.965 3.442 1.252 1.00 0.24 N ATOM 0 H GLN A 177 -9.630 0.687 4.317 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.647 2.871 5.633 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.170 2.866 2.983 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -8.974 4.047 3.477 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.239 2.271 3.486 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.439 1.105 2.965 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.460 3.853 2.037 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -6.745 3.728 0.298 1.00 0.24 H new ATOM 215 N GLU A 178 -11.860 3.300 4.954 1.00 0.27 N ATOM 216 CA GLU A 178 -13.005 4.163 5.244 1.00 0.31 C ATOM 217 C GLU A 178 -13.362 4.167 6.732 1.00 0.33 C ATOM 218 O GLU A 178 -13.881 5.158 7.248 1.00 0.36 O ATOM 219 CB GLU A 178 -14.216 3.756 4.403 1.00 0.35 C ATOM 220 CG GLU A 178 -14.620 2.300 4.570 1.00 0.39 C ATOM 221 CD GLU A 178 -15.905 1.971 3.844 1.00 0.46 C ATOM 222 OE1 GLU A 178 -15.868 1.836 2.602 1.00 0.41 O ATOM 223 OE2 GLU A 178 -16.952 1.830 4.508 1.00 0.71 O ATOM 0 H GLU A 178 -12.058 2.534 4.310 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.716 5.180 4.977 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -15.061 4.390 4.670 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -13.996 3.944 3.352 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -13.821 1.659 4.197 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -14.738 2.078 5.631 1.00 0.39 H new ATOM 230 N ARG A 179 -13.075 3.072 7.422 1.00 0.34 N ATOM 231 CA ARG A 179 -13.363 2.974 8.849 1.00 0.40 C ATOM 232 C ARG A 179 -12.277 3.674 9.673 1.00 0.35 C ATOM 233 O ARG A 179 -12.428 3.873 10.876 1.00 0.38 O ATOM 234 CB ARG A 179 -13.452 1.505 9.271 1.00 0.48 C ATOM 235 CG ARG A 179 -13.989 1.306 10.682 1.00 0.65 C ATOM 236 CD ARG A 179 -13.356 0.102 11.360 1.00 0.83 C ATOM 237 NE ARG A 179 -13.597 -1.144 10.637 1.00 1.03 N ATOM 238 CZ ARG A 179 -12.638 -1.847 10.046 1.00 1.80 C ATOM 239 NH1 ARG A 179 -11.395 -1.384 10.035 1.00 2.15 N ATOM 240 NH2 ARG A 179 -12.918 -3.006 9.465 1.00 2.55 N ATOM 0 H ARG A 179 -12.644 2.240 7.019 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.318 3.465 9.035 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -14.094 0.973 8.569 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -12.461 1.055 9.202 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -13.796 2.200 11.274 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -15.071 1.176 10.645 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -12.282 0.264 11.449 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -13.750 0.012 12.372 1.00 0.83 H new ATOM 0 HE ARG A 179 -14.554 -1.493 10.583 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -11.179 -0.492 10.479 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -10.655 -1.920 9.582 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -13.874 -3.362 9.471 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -12.177 -3.542 9.012 1.00 2.55 H new ATOM 254 N LEU A 180 -11.189 4.051 9.017 1.00 0.30 N ATOM 255 CA LEU A 180 -10.021 4.591 9.708 1.00 0.28 C ATOM 256 C LEU A 180 -9.645 5.979 9.196 1.00 0.25 C ATOM 257 O LEU A 180 -8.882 6.693 9.842 1.00 0.24 O ATOM 258 CB LEU A 180 -8.827 3.645 9.547 1.00 0.28 C ATOM 259 CG LEU A 180 -9.047 2.217 10.051 1.00 0.33 C ATOM 260 CD1 LEU A 180 -7.789 1.385 9.857 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.469 2.220 11.512 1.00 0.38 C ATOM 0 H LEU A 180 -11.088 3.994 8.004 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.282 4.681 10.762 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.559 3.602 8.491 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -7.974 4.071 10.075 1.00 0.28 H new ATOM 0 HG LEU A 180 -9.850 1.767 9.467 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -7.963 0.372 10.221 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.535 1.351 8.798 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -6.966 1.834 10.413 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.620 1.195 11.849 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.691 2.689 12.114 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.399 2.778 11.621 1.00 0.38 H new ATOM 273 N GLY A 181 -10.168 6.361 8.041 1.00 0.24 N ATOM 274 CA GLY A 181 -9.862 7.668 7.489 1.00 0.22 C ATOM 275 C GLY A 181 -8.699 7.627 6.516 1.00 0.18 C ATOM 276 O GLY A 181 -8.300 8.654 5.972 1.00 0.18 O ATOM 0 H GLY A 181 -10.798 5.792 7.475 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.743 8.060 6.981 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.629 8.357 8.301 1.00 0.22 H new ATOM 280 N ILE A 182 -8.149 6.436 6.312 1.00 0.17 N ATOM 281 CA ILE A 182 -7.003 6.247 5.425 1.00 0.16 C ATOM 282 C ILE A 182 -7.358 6.638 3.990 1.00 0.15 C ATOM 283 O ILE A 182 -8.377 6.194 3.456 1.00 0.17 O ATOM 284 CB ILE A 182 -6.529 4.778 5.444 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.254 4.324 6.881 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.286 4.601 4.581 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.871 2.862 6.994 1.00 0.22 C ATOM 0 H ILE A 182 -8.481 5.578 6.753 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.200 6.889 5.787 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.323 4.156 5.030 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.453 4.934 7.299 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.142 4.506 7.487 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -4.969 3.558 4.609 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.513 4.884 3.553 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.485 5.234 4.963 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.691 2.613 8.040 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.680 2.243 6.607 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -4.965 2.677 6.416 1.00 0.22 H new ATOM 299 N PRO A 183 -6.535 7.484 3.349 1.00 0.14 N ATOM 300 CA PRO A 183 -6.761 7.895 1.969 1.00 0.15 C ATOM 301 C PRO A 183 -6.366 6.808 0.974 1.00 0.14 C ATOM 302 O PRO A 183 -5.468 6.000 1.227 1.00 0.16 O ATOM 303 CB PRO A 183 -5.862 9.119 1.809 1.00 0.20 C ATOM 304 CG PRO A 183 -4.743 8.891 2.767 1.00 0.24 C ATOM 305 CD PRO A 183 -5.324 8.107 3.919 1.00 0.15 C ATOM 0 HA PRO A 183 -7.813 8.097 1.770 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -5.496 9.211 0.786 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -6.400 10.039 2.039 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.931 8.340 2.292 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -4.327 9.838 3.112 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.623 7.357 4.285 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.567 8.755 4.761 1.00 0.15 H new ATOM 313 N TYR A 184 -7.061 6.802 -0.152 1.00 0.15 N ATOM 314 CA TYR A 184 -6.796 5.872 -1.241 1.00 0.16 C ATOM 315 C TYR A 184 -5.446 6.137 -1.894 1.00 0.16 C ATOM 316 O TYR A 184 -4.740 5.211 -2.287 1.00 0.19 O ATOM 317 CB TYR A 184 -7.869 6.033 -2.301 1.00 0.17 C ATOM 318 CG TYR A 184 -8.959 4.984 -2.306 1.00 0.10 C ATOM 319 CD1 TYR A 184 -9.897 4.958 -1.287 1.00 0.30 C ATOM 320 CD2 TYR A 184 -9.014 3.987 -3.271 1.00 0.23 C ATOM 321 CE1 TYR A 184 -10.866 3.988 -1.225 1.00 0.42 C ATOM 322 CE2 TYR A 184 -9.979 2.997 -3.211 1.00 0.27 C ATOM 323 CZ TYR A 184 -11.011 3.121 -2.446 1.00 0.36 C ATOM 324 OH TYR A 184 -11.847 2.013 -2.104 1.00 0.50 O ATOM 0 H TYR A 184 -7.830 7.446 -0.339 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.793 4.865 -0.825 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.334 7.011 -2.174 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.388 6.034 -3.279 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -9.865 5.720 -0.522 1.00 0.30 H new ATOM 0 HD2 TYR A 184 -8.296 3.984 -4.077 1.00 0.23 H new ATOM 0 HE1 TYR A 184 -11.487 3.855 -0.352 1.00 0.42 H new ATOM 0 HE2 TYR A 184 -9.867 2.108 -3.813 1.00 0.27 H new ATOM 0 HH TYR A 184 -11.957 1.433 -2.886 1.00 0.50 H new ATOM 334 N ASP A 185 -5.106 7.413 -2.024 1.00 0.16 N ATOM 335 CA ASP A 185 -3.910 7.814 -2.753 1.00 0.17 C ATOM 336 C ASP A 185 -2.710 7.809 -1.815 1.00 0.14 C ATOM 337 O ASP A 185 -2.762 8.384 -0.724 1.00 0.17 O ATOM 338 CB ASP A 185 -4.112 9.198 -3.376 1.00 0.27 C ATOM 339 CG ASP A 185 -3.040 9.549 -4.391 1.00 0.33 C ATOM 340 OD1 ASP A 185 -3.097 9.041 -5.526 1.00 0.74 O ATOM 341 OD2 ASP A 185 -2.130 10.327 -4.052 1.00 0.58 O ATOM 0 H ASP A 185 -5.642 8.188 -1.634 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.723 7.104 -3.558 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -5.089 9.235 -3.859 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.118 9.949 -2.586 1.00 0.27 H new ATOM 346 N PRO A 186 -1.614 7.160 -2.240 1.00 0.13 N ATOM 347 CA PRO A 186 -0.471 6.858 -1.372 1.00 0.11 C ATOM 348 C PRO A 186 0.234 8.092 -0.825 1.00 0.12 C ATOM 349 O PRO A 186 0.781 8.055 0.272 1.00 0.13 O ATOM 350 CB PRO A 186 0.481 6.073 -2.283 1.00 0.13 C ATOM 351 CG PRO A 186 0.087 6.457 -3.663 1.00 0.20 C ATOM 352 CD PRO A 186 -1.397 6.677 -3.613 1.00 0.18 C ATOM 0 HA PRO A 186 -0.798 6.316 -0.484 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.521 6.329 -2.083 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.382 4.999 -2.127 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.607 7.361 -3.982 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.343 5.673 -4.376 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.722 7.408 -4.354 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -1.948 5.757 -3.809 1.00 0.18 H new ATOM 360 N ILE A 187 0.212 9.180 -1.580 1.00 0.13 N ATOM 361 CA ILE A 187 0.979 10.364 -1.225 1.00 0.17 C ATOM 362 C ILE A 187 0.512 10.989 0.096 1.00 0.19 C ATOM 363 O ILE A 187 1.315 11.575 0.820 1.00 0.22 O ATOM 364 CB ILE A 187 0.952 11.425 -2.355 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.086 12.434 -2.162 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.386 12.143 -2.399 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.204 13.446 -3.281 1.00 0.55 C ATOM 0 H ILE A 187 -0.328 9.267 -2.441 1.00 0.13 H new ATOM 0 HA ILE A 187 2.007 10.028 -1.090 1.00 0.17 H new ATOM 0 HB ILE A 187 1.093 10.910 -3.305 1.00 0.25 H new ATOM 0 HG12 ILE A 187 1.932 12.963 -1.222 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.029 11.894 -2.073 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.377 12.881 -3.201 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.181 11.420 -2.581 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.562 12.644 -1.447 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.030 14.126 -3.071 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.390 12.928 -4.222 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.277 14.014 -3.357 1.00 0.55 H new ATOM 379 N HIS A 188 -0.767 10.852 0.441 1.00 0.18 N ATOM 380 CA HIS A 188 -1.274 11.514 1.639 1.00 0.20 C ATOM 381 C HIS A 188 -1.211 10.604 2.866 1.00 0.19 C ATOM 382 O HIS A 188 -1.696 10.977 3.937 1.00 0.22 O ATOM 383 CB HIS A 188 -2.716 12.006 1.445 1.00 0.25 C ATOM 384 CG HIS A 188 -2.909 12.913 0.270 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.446 14.205 0.273 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.516 12.667 -0.914 1.00 0.42 C ATOM 387 CE1 HIS A 188 -2.777 14.711 -0.901 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.428 13.817 -1.655 1.00 0.50 N ATOM 0 H HIS A 188 -1.454 10.304 -0.076 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.625 12.373 1.809 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.370 11.141 1.332 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.033 12.529 2.347 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -3.981 11.741 -1.218 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -2.551 15.720 -1.214 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -3.789 13.963 -2.598 1.00 0.50 H new ATOM 396 N TRP A 189 -0.618 9.418 2.730 1.00 0.18 N ATOM 397 CA TRP A 189 -0.555 8.497 3.865 1.00 0.19 C ATOM 398 C TRP A 189 0.359 9.058 4.950 1.00 0.20 C ATOM 399 O TRP A 189 1.355 9.722 4.659 1.00 0.20 O ATOM 400 CB TRP A 189 -0.018 7.109 3.483 1.00 0.18 C ATOM 401 CG TRP A 189 -0.873 6.280 2.578 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.233 6.291 2.467 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.400 5.265 1.683 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.635 5.365 1.531 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.524 4.717 1.040 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.876 4.775 1.355 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.413 3.702 0.093 1.00 0.12 C ATOM 408 CZ3 TRP A 189 0.986 3.767 0.414 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.154 3.241 -0.208 1.00 0.12 C ATOM 0 H TRP A 189 -0.185 9.079 1.871 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.580 8.391 4.220 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.953 7.240 3.006 1.00 0.18 H new ATOM 0 HB3 TRP A 189 0.151 6.546 4.401 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -2.896 6.931 3.030 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.599 5.188 1.248 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.757 5.179 1.831 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.288 3.291 -0.389 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 1.961 3.381 0.156 1.00 0.12 H new ATOM 0 HH2 TRP A 189 -0.041 2.456 -0.941 1.00 0.12 H new ATOM 420 N SER A 190 0.014 8.799 6.195 1.00 0.23 N ATOM 421 CA SER A 190 0.909 9.070 7.299 1.00 0.25 C ATOM 422 C SER A 190 1.654 7.794 7.653 1.00 0.25 C ATOM 423 O SER A 190 1.191 6.712 7.308 1.00 0.25 O ATOM 424 CB SER A 190 0.118 9.599 8.495 1.00 0.29 C ATOM 425 OG SER A 190 -1.032 8.799 8.733 1.00 1.18 O ATOM 0 H SER A 190 -0.884 8.399 6.467 1.00 0.23 H new ATOM 0 HA SER A 190 1.633 9.834 7.016 1.00 0.25 H new ATOM 0 HB2 SER A 190 0.752 9.606 9.382 1.00 0.29 H new ATOM 0 HB3 SER A 190 -0.183 10.630 8.310 1.00 0.29 H new ATOM 0 HG SER A 190 -0.865 8.205 9.494 1.00 1.18 H new ATOM 431 N THR A 191 2.792 7.923 8.329 1.00 0.26 N ATOM 432 CA THR A 191 3.678 6.793 8.607 1.00 0.28 C ATOM 433 C THR A 191 2.920 5.554 9.105 1.00 0.25 C ATOM 434 O THR A 191 3.174 4.437 8.651 1.00 0.25 O ATOM 435 CB THR A 191 4.747 7.198 9.639 1.00 0.31 C ATOM 436 OG1 THR A 191 5.418 8.387 9.191 1.00 0.74 O ATOM 437 CG2 THR A 191 5.763 6.084 9.847 1.00 0.62 C ATOM 0 H THR A 191 3.127 8.812 8.700 1.00 0.26 H new ATOM 0 HA THR A 191 4.153 6.525 7.664 1.00 0.28 H new ATOM 0 HB THR A 191 4.251 7.387 10.591 1.00 0.31 H new ATOM 0 HG1 THR A 191 6.097 8.646 9.848 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.504 6.400 10.581 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.254 5.190 10.207 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.259 5.863 8.902 1.00 0.62 H new ATOM 445 N ASP A 192 1.977 5.759 10.016 1.00 0.24 N ATOM 446 CA ASP A 192 1.186 4.659 10.556 1.00 0.24 C ATOM 447 C ASP A 192 0.329 4.010 9.470 1.00 0.23 C ATOM 448 O ASP A 192 0.327 2.795 9.329 1.00 0.25 O ATOM 449 CB ASP A 192 0.306 5.137 11.723 1.00 0.29 C ATOM 450 CG ASP A 192 -0.816 6.072 11.301 1.00 1.06 C ATOM 451 OD1 ASP A 192 -0.524 7.151 10.736 1.00 1.75 O ATOM 452 OD2 ASP A 192 -1.996 5.732 11.529 1.00 1.37 O ATOM 0 H ASP A 192 1.741 6.675 10.396 1.00 0.24 H new ATOM 0 HA ASP A 192 1.879 3.908 10.934 1.00 0.24 H new ATOM 0 HB2 ASP A 192 -0.125 4.268 12.221 1.00 0.29 H new ATOM 0 HB3 ASP A 192 0.934 5.645 12.455 1.00 0.29 H new ATOM 457 N GLN A 193 -0.369 4.829 8.695 1.00 0.22 N ATOM 458 CA GLN A 193 -1.253 4.349 7.632 1.00 0.21 C ATOM 459 C GLN A 193 -0.470 3.795 6.447 1.00 0.17 C ATOM 460 O GLN A 193 -0.965 2.909 5.748 1.00 0.14 O ATOM 461 CB GLN A 193 -2.188 5.466 7.173 1.00 0.24 C ATOM 462 CG GLN A 193 -3.087 6.000 8.277 1.00 0.30 C ATOM 463 CD GLN A 193 -4.029 7.093 7.806 1.00 0.41 C ATOM 464 OE1 GLN A 193 -5.131 7.242 8.328 1.00 1.34 O ATOM 465 NE2 GLN A 193 -3.607 7.869 6.821 1.00 0.85 N ATOM 0 H GLN A 193 -0.341 5.845 8.782 1.00 0.22 H new ATOM 0 HA GLN A 193 -1.846 3.533 8.044 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.592 6.286 6.773 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -2.809 5.096 6.357 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -3.672 5.178 8.689 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.467 6.387 9.086 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -2.686 7.717 6.411 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -4.203 8.620 6.472 1.00 0.85 H new ATOM 474 N VAL A 194 0.724 4.301 6.220 1.00 0.16 N ATOM 475 CA VAL A 194 1.616 3.696 5.230 1.00 0.14 C ATOM 476 C VAL A 194 1.806 2.209 5.544 1.00 0.13 C ATOM 477 O VAL A 194 1.727 1.354 4.662 1.00 0.13 O ATOM 478 CB VAL A 194 2.995 4.397 5.193 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.909 3.749 4.169 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.837 5.872 4.878 1.00 0.17 C ATOM 0 H VAL A 194 1.104 5.119 6.696 1.00 0.16 H new ATOM 0 HA VAL A 194 1.153 3.815 4.251 1.00 0.14 H new ATOM 0 HB VAL A 194 3.447 4.291 6.179 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.871 4.261 4.164 1.00 0.17 H new ATOM 0 HG12 VAL A 194 4.058 2.700 4.426 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.455 3.819 3.180 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.818 6.347 4.857 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.357 5.987 3.906 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.222 6.344 5.644 1.00 0.17 H new ATOM 490 N LEU A 195 2.007 1.910 6.818 1.00 0.14 N ATOM 491 CA LEU A 195 2.166 0.533 7.275 1.00 0.14 C ATOM 492 C LEU A 195 0.841 -0.066 7.745 1.00 0.12 C ATOM 493 O LEU A 195 0.786 -1.263 8.002 1.00 0.14 O ATOM 494 CB LEU A 195 3.236 0.413 8.363 1.00 0.16 C ATOM 495 CG LEU A 195 4.617 0.958 7.994 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.529 0.954 9.209 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.234 0.143 6.872 1.00 0.18 C ATOM 0 H LEU A 195 2.065 2.607 7.561 1.00 0.14 H new ATOM 0 HA LEU A 195 2.504 -0.044 6.414 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.885 0.936 9.253 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.340 -0.638 8.631 1.00 0.16 H new ATOM 0 HG LEU A 195 4.498 1.985 7.648 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.508 1.344 8.931 1.00 0.23 H new ATOM 0 HD12 LEU A 195 5.097 1.580 9.990 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.637 -0.065 9.579 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.216 0.548 6.625 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.339 -0.894 7.191 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.591 0.189 5.993 1.00 0.18 H new ATOM 509 N HIS A 196 -0.226 0.712 7.845 1.00 0.11 N ATOM 510 CA HIS A 196 -1.550 0.098 7.951 1.00 0.10 C ATOM 511 C HIS A 196 -1.819 -0.662 6.655 1.00 0.09 C ATOM 512 O HIS A 196 -2.222 -1.822 6.658 1.00 0.12 O ATOM 513 CB HIS A 196 -2.657 1.129 8.197 1.00 0.13 C ATOM 514 CG HIS A 196 -2.927 1.410 9.647 1.00 0.16 C ATOM 515 ND1 HIS A 196 -3.839 0.672 10.362 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.399 2.357 10.456 1.00 0.30 C ATOM 517 CE1 HIS A 196 -3.842 1.182 11.581 1.00 0.30 C ATOM 518 NE2 HIS A 196 -2.985 2.206 11.687 1.00 0.28 N ATOM 0 H HIS A 196 -0.211 1.732 7.855 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.557 -0.573 8.810 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.385 2.062 7.702 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.576 0.776 7.730 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -1.657 3.093 10.184 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -4.458 0.819 12.390 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -2.803 2.765 12.521 1.00 0.28 H new ATOM 526 N TRP A 197 -1.551 0.029 5.555 1.00 0.10 N ATOM 527 CA TRP A 197 -1.579 -0.567 4.221 1.00 0.09 C ATOM 528 C TRP A 197 -0.616 -1.734 4.122 1.00 0.10 C ATOM 529 O TRP A 197 -1.034 -2.834 3.774 1.00 0.13 O ATOM 530 CB TRP A 197 -1.240 0.496 3.170 1.00 0.09 C ATOM 531 CG TRP A 197 -1.199 0.001 1.751 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.255 -0.400 0.989 1.00 0.09 C ATOM 533 CD2 TRP A 197 -0.040 -0.102 0.913 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.825 -0.760 -0.265 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.470 -0.583 -0.339 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.318 0.159 1.101 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.409 -0.798 -1.397 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.192 -0.052 0.050 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.735 -0.526 -1.187 1.00 0.14 C ATOM 0 H TRP A 197 -1.308 1.020 5.560 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.583 -0.948 4.035 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -1.975 1.298 3.237 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.271 0.930 3.415 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.282 -0.430 1.323 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.420 -1.104 -1.019 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.681 0.520 2.052 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.058 -1.166 -2.350 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.244 0.152 0.185 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.441 -0.680 -1.990 1.00 0.14 H new ATOM 550 N VAL A 198 0.654 -1.527 4.423 1.00 0.10 N ATOM 551 CA VAL A 198 1.624 -2.605 4.307 1.00 0.12 C ATOM 552 C VAL A 198 1.264 -3.809 5.184 1.00 0.13 C ATOM 553 O VAL A 198 1.345 -4.930 4.708 1.00 0.15 O ATOM 554 CB VAL A 198 3.064 -2.136 4.590 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.032 -3.298 4.494 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.467 -1.035 3.625 1.00 0.13 C ATOM 0 H VAL A 198 1.035 -0.637 4.745 1.00 0.10 H new ATOM 0 HA VAL A 198 1.583 -2.928 3.267 1.00 0.12 H new ATOM 0 HB VAL A 198 3.099 -1.738 5.604 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.044 -2.947 4.697 1.00 0.23 H new ATOM 0 HG12 VAL A 198 3.759 -4.060 5.224 1.00 0.23 H new ATOM 0 HG13 VAL A 198 3.990 -3.724 3.492 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.487 -0.717 3.841 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.412 -1.409 2.603 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.791 -0.187 3.738 1.00 0.13 H new ATOM 566 N VAL A 199 0.816 -3.608 6.419 1.00 0.13 N ATOM 567 CA VAL A 199 0.468 -4.748 7.274 1.00 0.14 C ATOM 568 C VAL A 199 -0.783 -5.467 6.754 1.00 0.13 C ATOM 569 O VAL A 199 -0.783 -6.688 6.566 1.00 0.15 O ATOM 570 CB VAL A 199 0.263 -4.328 8.750 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.317 -5.474 9.569 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.582 -3.867 9.355 1.00 0.20 C ATOM 0 H VAL A 199 0.686 -2.691 6.847 1.00 0.13 H new ATOM 0 HA VAL A 199 1.312 -5.436 7.237 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.446 -3.501 8.771 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.451 -5.152 10.602 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -1.281 -5.767 9.153 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.365 -6.324 9.540 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.424 -3.575 10.393 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.306 -4.681 9.314 1.00 0.20 H new ATOM 0 HG23 VAL A 199 1.962 -3.015 8.792 1.00 0.20 H new ATOM 582 N TRP A 200 -1.827 -4.699 6.496 1.00 0.13 N ATOM 583 CA TRP A 200 -3.091 -5.252 6.009 1.00 0.13 C ATOM 584 C TRP A 200 -2.914 -5.914 4.639 1.00 0.13 C ATOM 585 O TRP A 200 -3.297 -7.065 4.449 1.00 0.13 O ATOM 586 CB TRP A 200 -4.163 -4.152 5.939 1.00 0.14 C ATOM 587 CG TRP A 200 -5.557 -4.678 5.772 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.544 -4.689 6.714 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.118 -5.272 4.598 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.679 -5.264 6.197 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.441 -5.629 4.899 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.625 -5.538 3.323 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.273 -6.241 3.970 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.443 -6.143 2.403 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.757 -6.492 2.727 1.00 0.15 C ATOM 0 H TRP A 200 -1.830 -3.686 6.614 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.418 -6.018 6.712 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -4.117 -3.554 6.849 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.934 -3.486 5.107 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.447 -4.303 7.718 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.557 -5.398 6.699 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.612 -5.271 3.062 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.289 -6.509 4.219 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.066 -6.353 1.413 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.377 -6.969 1.982 1.00 0.15 H new ATOM 606 N VAL A 201 -2.324 -5.209 3.701 1.00 0.14 N ATOM 607 CA VAL A 201 -2.189 -5.723 2.339 1.00 0.16 C ATOM 608 C VAL A 201 -1.144 -6.834 2.245 1.00 0.16 C ATOM 609 O VAL A 201 -1.316 -7.772 1.465 1.00 0.18 O ATOM 610 CB VAL A 201 -1.896 -4.601 1.328 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.649 -5.172 -0.056 1.00 0.26 C ATOM 612 CG2 VAL A 201 -3.050 -3.613 1.304 1.00 0.22 C ATOM 0 H VAL A 201 -1.928 -4.280 3.846 1.00 0.14 H new ATOM 0 HA VAL A 201 -3.153 -6.159 2.077 1.00 0.16 H new ATOM 0 HB VAL A 201 -0.992 -4.078 1.639 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.444 -4.360 -0.753 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -0.794 -5.847 -0.024 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.531 -5.720 -0.386 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -2.836 -2.821 0.586 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -3.965 -4.129 1.013 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -3.178 -3.179 2.296 1.00 0.22 H new ATOM 622 N MET A 202 -0.094 -6.787 3.043 1.00 0.17 N ATOM 623 CA MET A 202 0.835 -7.914 3.062 1.00 0.20 C ATOM 624 C MET A 202 0.125 -9.166 3.616 1.00 0.19 C ATOM 625 O MET A 202 0.491 -10.291 3.294 1.00 0.22 O ATOM 626 CB MET A 202 2.107 -7.582 3.857 1.00 0.23 C ATOM 627 CG MET A 202 1.994 -7.828 5.349 1.00 0.23 C ATOM 628 SD MET A 202 3.250 -6.965 6.316 1.00 0.40 S ATOM 629 CE MET A 202 4.746 -7.423 5.448 1.00 0.56 C ATOM 0 H MET A 202 0.137 -6.014 3.667 1.00 0.17 H new ATOM 0 HA MET A 202 1.153 -8.122 2.040 1.00 0.20 H new ATOM 0 HB2 MET A 202 2.932 -8.176 3.464 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.361 -6.535 3.692 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.007 -7.514 5.688 1.00 0.23 H new ATOM 0 HG3 MET A 202 2.071 -8.898 5.540 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.613 -7.066 6.004 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.796 -8.508 5.356 1.00 0.56 H new ATOM 0 HE3 MET A 202 4.742 -6.975 4.455 1.00 0.56 H new ATOM 639 N LYS A 203 -0.917 -8.946 4.418 1.00 0.16 N ATOM 640 CA LYS A 203 -1.766 -10.024 4.947 1.00 0.18 C ATOM 641 C LYS A 203 -2.563 -10.742 3.853 1.00 0.18 C ATOM 642 O LYS A 203 -2.545 -11.971 3.800 1.00 0.20 O ATOM 643 CB LYS A 203 -2.735 -9.463 5.994 1.00 0.19 C ATOM 644 CG LYS A 203 -3.874 -10.413 6.342 1.00 0.36 C ATOM 645 CD LYS A 203 -4.785 -9.844 7.417 1.00 0.82 C ATOM 646 CE LYS A 203 -4.092 -9.767 8.767 1.00 1.61 C ATOM 647 NZ LYS A 203 -4.995 -9.225 9.816 1.00 2.35 N ATOM 0 H LYS A 203 -1.200 -8.015 4.722 1.00 0.16 H new ATOM 0 HA LYS A 203 -1.098 -10.756 5.401 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -2.179 -9.227 6.902 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -3.154 -8.527 5.625 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.458 -10.622 5.446 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.462 -11.363 6.682 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -5.116 -8.848 7.122 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -5.677 -10.464 7.502 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -3.750 -10.760 9.058 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -3.207 -9.136 8.687 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -4.489 -9.187 10.724 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -5.301 -8.267 9.550 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -5.828 -9.841 9.910 1.00 2.35 H new ATOM 661 N GLU A 204 -3.257 -9.988 2.994 1.00 0.18 N ATOM 662 CA GLU A 204 -4.175 -10.570 1.997 1.00 0.18 C ATOM 663 C GLU A 204 -3.539 -11.734 1.228 1.00 0.23 C ATOM 664 O GLU A 204 -4.111 -12.821 1.139 1.00 0.47 O ATOM 665 CB GLU A 204 -4.632 -9.487 1.013 1.00 0.23 C ATOM 666 CG GLU A 204 -6.106 -9.132 1.135 1.00 0.42 C ATOM 667 CD GLU A 204 -7.024 -10.300 0.849 1.00 0.93 C ATOM 668 OE1 GLU A 204 -7.300 -11.090 1.775 1.00 1.45 O ATOM 669 OE2 GLU A 204 -7.487 -10.422 -0.302 1.00 1.72 O ATOM 0 H GLU A 204 -3.203 -8.970 2.966 1.00 0.18 H new ATOM 0 HA GLU A 204 -5.033 -10.967 2.540 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -4.037 -8.588 1.173 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -4.432 -9.825 -0.004 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.302 -8.761 2.141 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -6.336 -8.320 0.446 1.00 0.42 H new ATOM 676 N PHE A 205 -2.354 -11.499 0.692 1.00 0.18 N ATOM 677 CA PHE A 205 -1.636 -12.480 -0.124 1.00 0.19 C ATOM 678 C PHE A 205 -0.591 -13.224 0.696 1.00 0.22 C ATOM 679 O PHE A 205 0.344 -13.807 0.150 1.00 0.25 O ATOM 680 CB PHE A 205 -0.960 -11.774 -1.298 1.00 0.19 C ATOM 681 CG PHE A 205 -1.641 -10.496 -1.674 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.777 -10.527 -2.458 1.00 0.24 C ATOM 683 CD2 PHE A 205 -1.141 -9.270 -1.265 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.409 -9.365 -2.830 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.771 -8.097 -1.635 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.898 -8.111 -2.321 1.00 0.29 C ATOM 0 H PHE A 205 -1.854 -10.618 0.808 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.358 -13.208 -0.494 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.079 -11.565 -1.042 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.948 -12.441 -2.160 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.174 -11.477 -2.783 1.00 0.24 H new ATOM 0 HD2 PHE A 205 -0.252 -9.231 -0.653 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.266 -9.387 -3.486 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -1.332 -7.150 -1.357 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.436 -7.192 -2.501 1.00 0.29 H new ATOM 696 N SER A 206 -0.774 -13.181 2.012 1.00 0.21 N ATOM 697 CA SER A 206 0.016 -13.970 2.953 1.00 0.23 C ATOM 698 C SER A 206 1.511 -13.736 2.756 1.00 0.24 C ATOM 699 O SER A 206 2.313 -14.669 2.698 1.00 0.28 O ATOM 700 CB SER A 206 -0.338 -15.457 2.847 1.00 0.26 C ATOM 701 OG SER A 206 0.124 -16.183 3.976 1.00 1.14 O ATOM 0 H SER A 206 -1.479 -12.594 2.459 1.00 0.21 H new ATOM 0 HA SER A 206 -0.232 -13.639 3.961 1.00 0.23 H new ATOM 0 HB2 SER A 206 -1.419 -15.569 2.758 1.00 0.26 H new ATOM 0 HB3 SER A 206 0.102 -15.873 1.941 1.00 0.26 H new ATOM 0 HG SER A 206 1.088 -16.041 4.085 1.00 1.14 H new ATOM 707 N MET A 207 1.867 -12.462 2.682 1.00 0.25 N ATOM 708 CA MET A 207 3.252 -12.038 2.670 1.00 0.27 C ATOM 709 C MET A 207 3.734 -11.835 4.100 1.00 0.52 C ATOM 710 O MET A 207 2.976 -12.022 5.053 1.00 1.36 O ATOM 711 CB MET A 207 3.434 -10.747 1.868 1.00 0.32 C ATOM 712 CG MET A 207 2.989 -10.848 0.416 1.00 0.52 C ATOM 713 SD MET A 207 3.596 -9.477 -0.583 1.00 0.95 S ATOM 714 CE MET A 207 2.778 -8.091 0.200 1.00 0.94 C ATOM 0 H MET A 207 1.198 -11.694 2.629 1.00 0.25 H new ATOM 0 HA MET A 207 3.844 -12.816 2.188 1.00 0.27 H new ATOM 0 HB2 MET A 207 2.873 -9.948 2.354 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.485 -10.460 1.895 1.00 0.32 H new ATOM 0 HG2 MET A 207 3.345 -11.788 -0.006 1.00 0.52 H new ATOM 0 HG3 MET A 207 1.900 -10.872 0.373 1.00 0.52 H new ATOM 0 HE1 MET A 207 3.201 -7.159 -0.176 1.00 0.94 H new ATOM 0 HE2 MET A 207 1.712 -8.123 -0.026 1.00 0.94 H new ATOM 0 HE3 MET A 207 2.922 -8.146 1.279 1.00 0.94 H new ATOM 724 N THR A 208 4.986 -11.431 4.238 1.00 0.86 N ATOM 725 CA THR A 208 5.607 -11.250 5.544 1.00 1.02 C ATOM 726 C THR A 208 7.068 -10.861 5.371 1.00 1.04 C ATOM 727 O THR A 208 7.697 -10.325 6.284 1.00 1.71 O ATOM 728 CB THR A 208 5.515 -12.523 6.427 1.00 1.53 C ATOM 729 OG1 THR A 208 6.062 -12.262 7.728 1.00 2.11 O ATOM 730 CG2 THR A 208 6.253 -13.699 5.792 1.00 1.72 C ATOM 0 H THR A 208 5.601 -11.219 3.452 1.00 0.86 H new ATOM 0 HA THR A 208 5.060 -10.456 6.052 1.00 1.02 H new ATOM 0 HB THR A 208 4.461 -12.787 6.516 1.00 1.53 H new ATOM 0 HG1 THR A 208 5.998 -13.071 8.278 1.00 2.11 H new ATOM 0 HG21 THR A 208 6.168 -14.573 6.437 1.00 1.72 H new ATOM 0 HG22 THR A 208 5.814 -13.922 4.819 1.00 1.72 H new ATOM 0 HG23 THR A 208 7.305 -13.443 5.665 1.00 1.72 H new ATOM 738 N ASP A 209 7.599 -11.141 4.186 1.00 0.83 N ATOM 739 CA ASP A 209 8.983 -10.826 3.865 1.00 0.85 C ATOM 740 C ASP A 209 9.157 -9.338 3.617 1.00 0.70 C ATOM 741 O ASP A 209 10.258 -8.805 3.739 1.00 1.04 O ATOM 742 CB ASP A 209 9.427 -11.597 2.622 1.00 1.19 C ATOM 743 CG ASP A 209 9.102 -13.069 2.702 1.00 1.50 C ATOM 744 OD1 ASP A 209 7.960 -13.449 2.376 1.00 1.88 O ATOM 745 OD2 ASP A 209 9.994 -13.853 3.091 1.00 1.94 O ATOM 0 H ASP A 209 7.086 -11.589 3.427 1.00 0.83 H new ATOM 0 HA ASP A 209 9.598 -11.118 4.716 1.00 0.85 H new ATOM 0 HB2 ASP A 209 8.944 -11.170 1.743 1.00 1.19 H new ATOM 0 HB3 ASP A 209 10.502 -11.473 2.487 1.00 1.19 H new ATOM 750 N ILE A 210 8.064 -8.675 3.256 1.00 0.53 N ATOM 751 CA ILE A 210 8.111 -7.258 2.922 1.00 0.40 C ATOM 752 C ILE A 210 8.524 -6.443 4.149 1.00 0.36 C ATOM 753 O ILE A 210 7.994 -6.621 5.249 1.00 0.47 O ATOM 754 CB ILE A 210 6.774 -6.745 2.288 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.185 -5.556 3.047 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.738 -7.854 2.177 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.757 -4.223 2.631 1.00 0.65 C ATOM 0 H ILE A 210 7.137 -9.095 3.188 1.00 0.53 H new ATOM 0 HA ILE A 210 8.869 -7.120 2.151 1.00 0.40 H new ATOM 0 HB ILE A 210 7.031 -6.407 1.284 1.00 0.34 H new ATOM 0 HG12 ILE A 210 5.105 -5.540 2.897 1.00 0.44 H new ATOM 0 HG13 ILE A 210 6.357 -5.697 4.114 1.00 0.44 H new ATOM 0 HG21 ILE A 210 4.826 -7.456 1.732 1.00 0.42 H new ATOM 0 HG22 ILE A 210 6.128 -8.655 1.549 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.517 -8.246 3.170 1.00 0.42 H new ATOM 0 HD11 ILE A 210 6.290 -3.429 3.214 1.00 0.65 H new ATOM 0 HD12 ILE A 210 7.833 -4.218 2.807 1.00 0.65 H new ATOM 0 HD13 ILE A 210 6.562 -4.058 1.571 1.00 0.65 H new ATOM 769 N ASP A 211 9.497 -5.574 3.933 1.00 0.28 N ATOM 770 CA ASP A 211 10.157 -4.834 4.998 1.00 0.28 C ATOM 771 C ASP A 211 9.276 -3.739 5.582 1.00 0.27 C ATOM 772 O ASP A 211 9.178 -2.641 5.031 1.00 0.33 O ATOM 773 CB ASP A 211 11.450 -4.227 4.455 1.00 0.34 C ATOM 774 CG ASP A 211 12.447 -5.290 4.031 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.220 -5.932 2.982 1.00 0.91 O ATOM 776 OD2 ASP A 211 13.457 -5.491 4.745 1.00 0.88 O ATOM 0 H ASP A 211 9.856 -5.359 3.003 1.00 0.28 H new ATOM 0 HA ASP A 211 10.371 -5.533 5.807 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.220 -3.587 3.603 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.900 -3.592 5.218 1.00 0.34 H new ATOM 781 N LEU A 212 8.646 -4.046 6.708 1.00 0.30 N ATOM 782 CA LEU A 212 7.857 -3.070 7.449 1.00 0.36 C ATOM 783 C LEU A 212 8.732 -1.922 7.946 1.00 0.42 C ATOM 784 O LEU A 212 8.395 -0.753 7.779 1.00 0.56 O ATOM 785 CB LEU A 212 7.186 -3.742 8.649 1.00 0.43 C ATOM 786 CG LEU A 212 6.136 -4.802 8.313 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.763 -5.588 9.560 1.00 0.56 C ATOM 788 CD2 LEU A 212 4.903 -4.148 7.714 1.00 0.52 C ATOM 0 H LEU A 212 8.667 -4.973 7.132 1.00 0.30 H new ATOM 0 HA LEU A 212 7.099 -2.670 6.775 1.00 0.36 H new ATOM 0 HB2 LEU A 212 7.959 -4.204 9.263 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.715 -2.970 9.258 1.00 0.43 H new ATOM 0 HG LEU A 212 6.557 -5.491 7.580 1.00 0.48 H new ATOM 0 HD11 LEU A 212 5.015 -6.339 9.306 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.650 -6.080 9.959 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.356 -4.909 10.310 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.163 -4.913 7.479 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.481 -3.443 8.430 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.179 -3.618 6.802 1.00 0.52 H new ATOM 800 N THR A 213 9.869 -2.272 8.530 1.00 0.44 N ATOM 801 CA THR A 213 10.726 -1.305 9.201 1.00 0.51 C ATOM 802 C THR A 213 11.516 -0.431 8.227 1.00 0.46 C ATOM 803 O THR A 213 12.230 0.483 8.644 1.00 0.52 O ATOM 804 CB THR A 213 11.695 -2.025 10.150 1.00 0.71 C ATOM 805 OG1 THR A 213 11.928 -3.360 9.677 1.00 1.56 O ATOM 806 CG2 THR A 213 11.137 -2.064 11.565 1.00 1.34 C ATOM 0 H THR A 213 10.222 -3.229 8.552 1.00 0.44 H new ATOM 0 HA THR A 213 10.068 -0.645 9.766 1.00 0.51 H new ATOM 0 HB THR A 213 12.637 -1.476 10.170 1.00 0.71 H new ATOM 0 HG1 THR A 213 12.548 -3.818 10.282 1.00 1.56 H new ATOM 0 HG21 THR A 213 11.840 -2.579 12.219 1.00 1.34 H new ATOM 0 HG22 THR A 213 10.985 -1.046 11.924 1.00 1.34 H new ATOM 0 HG23 THR A 213 10.185 -2.595 11.566 1.00 1.34 H new ATOM 814 N THR A 214 11.387 -0.697 6.938 1.00 0.45 N ATOM 815 CA THR A 214 12.086 0.095 5.944 1.00 0.47 C ATOM 816 C THR A 214 11.120 1.047 5.241 1.00 0.42 C ATOM 817 O THR A 214 11.521 1.880 4.426 1.00 0.60 O ATOM 818 CB THR A 214 12.789 -0.805 4.914 1.00 0.57 C ATOM 819 OG1 THR A 214 13.374 -1.932 5.587 1.00 1.18 O ATOM 820 CG2 THR A 214 13.883 -0.036 4.188 1.00 0.40 C ATOM 0 H THR A 214 10.810 -1.448 6.559 1.00 0.45 H new ATOM 0 HA THR A 214 12.846 0.683 6.458 1.00 0.47 H new ATOM 0 HB THR A 214 12.052 -1.143 4.186 1.00 0.57 H new ATOM 0 HG1 THR A 214 13.695 -2.579 4.924 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.368 -0.690 3.464 1.00 0.40 H new ATOM 0 HG22 THR A 214 13.445 0.817 3.670 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.620 0.316 4.909 1.00 0.40 H new ATOM 828 N LEU A 215 9.842 0.926 5.581 1.00 0.30 N ATOM 829 CA LEU A 215 8.813 1.789 5.023 1.00 0.27 C ATOM 830 C LEU A 215 8.200 2.656 6.114 1.00 0.25 C ATOM 831 O LEU A 215 7.048 3.072 6.018 1.00 0.29 O ATOM 832 CB LEU A 215 7.727 0.958 4.332 1.00 0.25 C ATOM 833 CG LEU A 215 8.185 0.194 3.092 1.00 0.23 C ATOM 834 CD1 LEU A 215 7.052 -0.666 2.556 1.00 0.25 C ATOM 835 CD2 LEU A 215 8.680 1.159 2.023 1.00 0.24 C ATOM 0 H LEU A 215 9.494 0.234 6.245 1.00 0.30 H new ATOM 0 HA LEU A 215 9.276 2.438 4.279 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.325 0.244 5.051 1.00 0.25 H new ATOM 0 HB3 LEU A 215 6.909 1.621 4.050 1.00 0.25 H new ATOM 0 HG LEU A 215 9.012 -0.459 3.370 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.392 -1.206 1.672 1.00 0.25 H new ATOM 0 HD12 LEU A 215 6.744 -1.379 3.320 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.207 -0.031 2.291 1.00 0.25 H new ATOM 0 HD21 LEU A 215 9.002 0.597 1.147 1.00 0.24 H new ATOM 0 HD22 LEU A 215 7.874 1.837 1.743 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.519 1.735 2.413 1.00 0.24 H new ATOM 847 N ASN A 216 8.980 2.933 7.153 1.00 0.24 N ATOM 848 CA ASN A 216 8.548 3.833 8.220 1.00 0.26 C ATOM 849 C ASN A 216 8.667 5.285 7.767 1.00 0.22 C ATOM 850 O ASN A 216 9.280 6.123 8.431 1.00 0.29 O ATOM 851 CB ASN A 216 9.359 3.606 9.498 1.00 0.34 C ATOM 852 CG ASN A 216 8.971 2.330 10.220 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.547 1.275 9.989 1.00 1.34 O ATOM 854 ND2 ASN A 216 7.989 2.420 11.102 1.00 0.64 N ATOM 0 H ASN A 216 9.916 2.548 7.281 1.00 0.24 H new ATOM 0 HA ASN A 216 7.503 3.616 8.442 1.00 0.26 H new ATOM 0 HB2 ASN A 216 10.419 3.569 9.248 1.00 0.34 H new ATOM 0 HB3 ASN A 216 9.219 4.454 10.168 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.688 1.592 11.617 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.533 3.317 11.267 1.00 0.64 H new ATOM 861 N ILE A 217 8.072 5.557 6.621 1.00 0.19 N ATOM 862 CA ILE A 217 8.064 6.878 6.025 1.00 0.19 C ATOM 863 C ILE A 217 6.625 7.318 5.821 1.00 0.18 C ATOM 864 O ILE A 217 5.700 6.553 6.082 1.00 0.19 O ATOM 865 CB ILE A 217 8.809 6.892 4.671 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.336 5.740 3.785 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.313 6.809 4.892 1.00 0.32 C ATOM 868 CD1 ILE A 217 8.858 5.819 2.369 1.00 0.89 C ATOM 0 H ILE A 217 7.574 4.857 6.071 1.00 0.19 H new ATOM 0 HA ILE A 217 8.580 7.565 6.696 1.00 0.19 H new ATOM 0 HB ILE A 217 8.584 7.830 4.164 1.00 0.20 H new ATOM 0 HG12 ILE A 217 8.653 4.796 4.229 1.00 0.27 H new ATOM 0 HG13 ILE A 217 7.246 5.732 3.763 1.00 0.27 H new ATOM 0 HG21 ILE A 217 10.823 6.820 3.929 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.641 7.662 5.486 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.553 5.886 5.419 1.00 0.32 H new ATOM 0 HD11 ILE A 217 8.484 4.971 1.795 1.00 0.89 H new ATOM 0 HD12 ILE A 217 8.520 6.747 1.908 1.00 0.89 H new ATOM 0 HD13 ILE A 217 9.948 5.796 2.381 1.00 0.89 H new ATOM 880 N SER A 218 6.431 8.540 5.370 1.00 0.19 N ATOM 881 CA SER A 218 5.093 9.019 5.084 1.00 0.20 C ATOM 882 C SER A 218 4.742 8.777 3.615 1.00 0.20 C ATOM 883 O SER A 218 5.569 8.276 2.849 1.00 0.21 O ATOM 884 CB SER A 218 4.965 10.493 5.449 1.00 0.23 C ATOM 885 OG SER A 218 5.327 10.705 6.805 1.00 1.10 O ATOM 0 H SER A 218 7.175 9.215 5.194 1.00 0.19 H new ATOM 0 HA SER A 218 4.383 8.461 5.694 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.603 11.091 4.799 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.940 10.826 5.284 1.00 0.23 H new ATOM 0 HG SER A 218 5.240 11.657 7.022 1.00 1.10 H new ATOM 891 N GLY A 219 3.530 9.126 3.218 1.00 0.21 N ATOM 892 CA GLY A 219 3.082 8.832 1.875 1.00 0.23 C ATOM 893 C GLY A 219 3.832 9.591 0.796 1.00 0.22 C ATOM 894 O GLY A 219 4.161 9.023 -0.245 1.00 0.22 O ATOM 0 H GLY A 219 2.847 9.608 3.803 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.188 7.762 1.693 1.00 0.23 H new ATOM 0 HA3 GLY A 219 2.020 9.065 1.798 1.00 0.23 H new ATOM 898 N ARG A 220 4.108 10.866 1.033 1.00 0.24 N ATOM 899 CA ARG A 220 4.717 11.714 0.021 1.00 0.25 C ATOM 900 C ARG A 220 6.111 11.220 -0.355 1.00 0.25 C ATOM 901 O ARG A 220 6.515 11.335 -1.509 1.00 0.32 O ATOM 902 CB ARG A 220 4.781 13.171 0.486 1.00 0.26 C ATOM 903 CG ARG A 220 3.677 13.568 1.453 1.00 1.23 C ATOM 904 CD ARG A 220 4.148 13.460 2.891 1.00 2.30 C ATOM 905 NE ARG A 220 3.055 13.596 3.849 1.00 3.08 N ATOM 906 CZ ARG A 220 3.242 13.756 5.157 1.00 4.20 C ATOM 907 NH1 ARG A 220 4.472 13.919 5.634 1.00 4.78 N ATOM 908 NH2 ARG A 220 2.203 13.778 5.984 1.00 5.01 N ATOM 0 H ARG A 220 3.919 11.335 1.919 1.00 0.24 H new ATOM 0 HA ARG A 220 4.085 11.661 -0.866 1.00 0.25 H new ATOM 0 HB2 ARG A 220 5.746 13.346 0.962 1.00 0.26 H new ATOM 0 HB3 ARG A 220 4.734 13.821 -0.387 1.00 0.26 H new ATOM 0 HG2 ARG A 220 3.358 14.590 1.247 1.00 1.23 H new ATOM 0 HG3 ARG A 220 2.809 12.927 1.302 1.00 1.23 H new ATOM 0 HD2 ARG A 220 4.638 12.498 3.038 1.00 2.30 H new ATOM 0 HD3 ARG A 220 4.894 14.231 3.084 1.00 2.30 H new ATOM 0 HE ARG A 220 2.098 13.567 3.498 1.00 3.08 H new ATOM 0 HH11 ARG A 220 5.269 13.921 4.998 1.00 4.78 H new ATOM 0 HH12 ARG A 220 4.618 14.042 6.636 1.00 4.78 H new ATOM 0 HH21 ARG A 220 1.257 13.672 5.617 1.00 5.01 H new ATOM 0 HH22 ARG A 220 2.351 13.901 6.986 1.00 5.01 H new ATOM 922 N GLU A 221 6.839 10.671 0.608 1.00 0.24 N ATOM 923 CA GLU A 221 8.130 10.061 0.329 1.00 0.27 C ATOM 924 C GLU A 221 7.945 8.681 -0.302 1.00 0.23 C ATOM 925 O GLU A 221 8.674 8.315 -1.221 1.00 0.23 O ATOM 926 CB GLU A 221 8.992 9.968 1.601 1.00 0.34 C ATOM 927 CG GLU A 221 8.214 9.809 2.897 1.00 0.84 C ATOM 928 CD GLU A 221 7.711 11.126 3.456 1.00 1.60 C ATOM 929 OE1 GLU A 221 6.609 11.560 3.073 1.00 2.07 O ATOM 930 OE2 GLU A 221 8.415 11.729 4.293 1.00 2.45 O ATOM 0 H GLU A 221 6.557 10.636 1.588 1.00 0.24 H new ATOM 0 HA GLU A 221 8.656 10.699 -0.381 1.00 0.27 H new ATOM 0 HB2 GLU A 221 9.673 9.123 1.498 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.606 10.866 1.672 1.00 0.34 H new ATOM 0 HG2 GLU A 221 7.366 9.147 2.725 1.00 0.84 H new ATOM 0 HG3 GLU A 221 8.850 9.326 3.639 1.00 0.84 H new ATOM 937 N LEU A 222 6.955 7.935 0.183 1.00 0.21 N ATOM 938 CA LEU A 222 6.629 6.611 -0.353 1.00 0.20 C ATOM 939 C LEU A 222 6.271 6.712 -1.837 1.00 0.18 C ATOM 940 O LEU A 222 6.807 5.983 -2.669 1.00 0.20 O ATOM 941 CB LEU A 222 5.462 6.013 0.455 1.00 0.21 C ATOM 942 CG LEU A 222 5.086 4.547 0.170 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.230 4.427 -1.082 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.332 3.682 0.048 1.00 0.26 C ATOM 0 H LEU A 222 6.357 8.228 0.956 1.00 0.21 H new ATOM 0 HA LEU A 222 7.496 5.956 -0.263 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.705 6.099 1.514 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.580 6.628 0.279 1.00 0.21 H new ATOM 0 HG LEU A 222 4.497 4.189 1.015 1.00 0.21 H new ATOM 0 HD11 LEU A 222 3.982 3.380 -1.254 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.312 5.000 -0.952 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.781 4.815 -1.938 1.00 0.19 H new ATOM 0 HD21 LEU A 222 6.041 2.651 -0.153 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.952 4.050 -0.769 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.897 3.724 0.979 1.00 0.26 H new ATOM 956 N CYS A 223 5.369 7.620 -2.161 1.00 0.18 N ATOM 957 CA CYS A 223 4.915 7.781 -3.532 1.00 0.18 C ATOM 958 C CYS A 223 5.984 8.441 -4.402 1.00 0.18 C ATOM 959 O CYS A 223 5.946 8.333 -5.628 1.00 0.21 O ATOM 960 CB CYS A 223 3.618 8.597 -3.564 1.00 0.21 C ATOM 961 SG CYS A 223 2.889 8.778 -5.209 1.00 0.71 S ATOM 0 H CYS A 223 4.935 8.258 -1.494 1.00 0.18 H new ATOM 0 HA CYS A 223 4.723 6.790 -3.942 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.889 8.123 -2.907 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.817 9.588 -3.157 1.00 0.21 H new ATOM 0 HG CYS A 223 3.817 8.656 -6.111 1.00 0.71 H new ATOM 967 N SER A 224 6.936 9.120 -3.775 1.00 0.17 N ATOM 968 CA SER A 224 7.964 9.830 -4.518 1.00 0.21 C ATOM 969 C SER A 224 9.160 8.936 -4.829 1.00 0.17 C ATOM 970 O SER A 224 10.012 9.303 -5.637 1.00 0.19 O ATOM 971 CB SER A 224 8.420 11.068 -3.742 1.00 0.30 C ATOM 972 OG SER A 224 9.095 11.991 -4.583 1.00 1.10 O ATOM 0 H SER A 224 7.016 9.193 -2.761 1.00 0.17 H new ATOM 0 HA SER A 224 7.527 10.140 -5.467 1.00 0.21 H new ATOM 0 HB2 SER A 224 7.556 11.553 -3.288 1.00 0.30 H new ATOM 0 HB3 SER A 224 9.080 10.766 -2.929 1.00 0.30 H new ATOM 0 HG SER A 224 9.725 11.509 -5.158 1.00 1.10 H new ATOM 978 N LEU A 225 9.238 7.762 -4.219 1.00 0.17 N ATOM 979 CA LEU A 225 10.344 6.866 -4.507 1.00 0.18 C ATOM 980 C LEU A 225 9.954 5.926 -5.639 1.00 0.19 C ATOM 981 O LEU A 225 8.829 5.428 -5.688 1.00 0.19 O ATOM 982 CB LEU A 225 10.798 6.102 -3.247 1.00 0.19 C ATOM 983 CG LEU A 225 9.748 5.244 -2.535 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.733 3.827 -3.086 1.00 0.39 C ATOM 985 CD2 LEU A 225 10.013 5.226 -1.038 1.00 0.27 C ATOM 0 H LEU A 225 8.564 7.415 -3.537 1.00 0.17 H new ATOM 0 HA LEU A 225 11.203 7.455 -4.830 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.631 5.456 -3.525 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.183 6.828 -2.531 1.00 0.19 H new ATOM 0 HG LEU A 225 8.768 5.686 -2.716 1.00 0.16 H new ATOM 0 HD11 LEU A 225 8.978 3.241 -2.562 1.00 0.39 H new ATOM 0 HD12 LEU A 225 9.498 3.853 -4.150 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.712 3.370 -2.942 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.260 4.613 -0.543 1.00 0.27 H new ATOM 0 HD22 LEU A 225 11.002 4.809 -0.849 1.00 0.27 H new ATOM 0 HD23 LEU A 225 9.967 6.243 -0.648 1.00 0.27 H new ATOM 997 N ASN A 226 10.868 5.725 -6.568 1.00 0.22 N ATOM 998 CA ASN A 226 10.617 4.876 -7.724 1.00 0.25 C ATOM 999 C ASN A 226 10.753 3.417 -7.310 1.00 0.21 C ATOM 1000 O ASN A 226 11.397 3.135 -6.293 1.00 0.23 O ATOM 1001 CB ASN A 226 11.615 5.211 -8.841 1.00 0.40 C ATOM 1002 CG ASN A 226 11.416 4.379 -10.096 1.00 1.04 C ATOM 1003 OD1 ASN A 226 10.297 3.988 -10.432 1.00 2.01 O ATOM 1004 ND2 ASN A 226 12.507 4.099 -10.788 1.00 1.31 N ATOM 0 H ASN A 226 11.799 6.140 -6.547 1.00 0.22 H new ATOM 0 HA ASN A 226 9.608 5.050 -8.098 1.00 0.25 H new ATOM 0 HB2 ASN A 226 11.523 6.267 -9.096 1.00 0.40 H new ATOM 0 HB3 ASN A 226 12.629 5.059 -8.470 1.00 0.40 H new ATOM 0 HD21 ASN A 226 12.442 3.538 -11.637 1.00 1.31 H new ATOM 0 HD22 ASN A 226 13.414 4.444 -10.472 1.00 1.31 H new ATOM 1011 N GLN A 227 10.115 2.497 -8.056 1.00 0.20 N ATOM 1012 CA GLN A 227 10.046 1.084 -7.693 1.00 0.19 C ATOM 1013 C GLN A 227 11.381 0.552 -7.183 1.00 0.18 C ATOM 1014 O GLN A 227 11.431 -0.269 -6.270 1.00 0.19 O ATOM 1015 CB GLN A 227 9.600 0.244 -8.885 1.00 0.22 C ATOM 1016 CG GLN A 227 9.123 -1.138 -8.473 1.00 0.29 C ATOM 1017 CD GLN A 227 7.837 -1.086 -7.676 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.742 -1.163 -8.231 1.00 1.30 O ATOM 1019 NE2 GLN A 227 7.963 -0.954 -6.366 1.00 1.13 N ATOM 0 H GLN A 227 9.634 2.720 -8.927 1.00 0.20 H new ATOM 0 HA GLN A 227 9.316 1.006 -6.887 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.797 0.761 -9.410 1.00 0.22 H new ATOM 0 HB3 GLN A 227 10.428 0.145 -9.587 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.972 -1.749 -9.363 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.897 -1.625 -7.880 1.00 0.29 H new ATOM 0 HE21 GLN A 227 8.891 -0.894 -5.946 1.00 1.13 H new ATOM 0 HE22 GLN A 227 7.132 -0.912 -5.775 1.00 1.13 H new ATOM 1028 N GLU A 228 12.460 1.079 -7.765 1.00 0.20 N ATOM 1029 CA GLU A 228 13.818 0.658 -7.464 1.00 0.23 C ATOM 1030 C GLU A 228 14.132 0.940 -6.007 1.00 0.18 C ATOM 1031 O GLU A 228 14.572 0.052 -5.283 1.00 0.19 O ATOM 1032 CB GLU A 228 14.804 1.436 -8.339 1.00 0.34 C ATOM 1033 CG GLU A 228 14.370 1.585 -9.790 1.00 1.14 C ATOM 1034 CD GLU A 228 14.241 0.265 -10.522 1.00 1.66 C ATOM 1035 OE1 GLU A 228 13.144 -0.331 -10.504 1.00 2.29 O ATOM 1036 OE2 GLU A 228 15.234 -0.177 -11.134 1.00 1.83 O ATOM 0 H GLU A 228 12.408 1.818 -8.466 1.00 0.20 H new ATOM 0 HA GLU A 228 13.908 -0.410 -7.661 1.00 0.23 H new ATOM 0 HB2 GLU A 228 14.947 2.428 -7.911 1.00 0.34 H new ATOM 0 HB3 GLU A 228 15.771 0.934 -8.311 1.00 0.34 H new ATOM 0 HG2 GLU A 228 13.412 2.104 -9.823 1.00 1.14 H new ATOM 0 HG3 GLU A 228 15.091 2.213 -10.314 1.00 1.14 H new ATOM 1043 N ASP A 229 13.871 2.171 -5.580 1.00 0.18 N ATOM 1044 CA ASP A 229 14.119 2.539 -4.191 1.00 0.20 C ATOM 1045 C ASP A 229 13.325 1.654 -3.253 1.00 0.19 C ATOM 1046 O ASP A 229 13.816 1.284 -2.192 1.00 0.22 O ATOM 1047 CB ASP A 229 13.812 4.012 -3.924 1.00 0.25 C ATOM 1048 CG ASP A 229 14.246 4.447 -2.534 1.00 0.37 C ATOM 1049 OD1 ASP A 229 15.451 4.729 -2.353 1.00 0.71 O ATOM 1050 OD2 ASP A 229 13.397 4.513 -1.622 1.00 0.54 O ATOM 0 H ASP A 229 13.495 2.918 -6.163 1.00 0.18 H new ATOM 0 HA ASP A 229 15.182 2.388 -4.003 1.00 0.20 H new ATOM 0 HB2 ASP A 229 14.316 4.627 -4.669 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.742 4.185 -4.039 1.00 0.25 H new ATOM 1055 N PHE A 230 12.129 1.253 -3.662 1.00 0.17 N ATOM 1056 CA PHE A 230 11.361 0.341 -2.828 1.00 0.17 C ATOM 1057 C PHE A 230 12.003 -1.029 -2.872 1.00 0.18 C ATOM 1058 O PHE A 230 12.242 -1.628 -1.840 1.00 0.21 O ATOM 1059 CB PHE A 230 9.899 0.232 -3.258 1.00 0.17 C ATOM 1060 CG PHE A 230 9.127 -0.843 -2.517 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.522 -0.582 -1.291 1.00 0.19 C ATOM 1062 CD2 PHE A 230 8.981 -2.111 -3.064 1.00 0.19 C ATOM 1063 CE1 PHE A 230 7.786 -1.559 -0.640 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.253 -3.088 -2.410 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.653 -2.810 -1.200 1.00 0.22 C ATOM 0 H PHE A 230 11.682 1.533 -4.535 1.00 0.17 H new ATOM 0 HA PHE A 230 11.367 0.742 -1.814 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.410 1.193 -3.100 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.858 0.025 -4.327 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.628 0.394 -0.841 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.443 -2.337 -4.014 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.316 -1.339 0.307 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.154 -4.070 -2.848 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.080 -3.572 -0.693 1.00 0.22 H new ATOM 1075 N PHE A 231 12.326 -1.501 -4.077 1.00 0.17 N ATOM 1076 CA PHE A 231 12.777 -2.875 -4.265 1.00 0.20 C ATOM 1077 C PHE A 231 14.154 -3.100 -3.658 1.00 0.25 C ATOM 1078 O PHE A 231 14.599 -4.234 -3.533 1.00 0.41 O ATOM 1079 CB PHE A 231 12.788 -3.251 -5.749 1.00 0.21 C ATOM 1080 CG PHE A 231 11.543 -3.955 -6.214 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.291 -3.457 -5.885 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.619 -5.105 -6.982 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.143 -4.095 -6.311 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.473 -5.746 -7.410 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.251 -5.270 -7.073 1.00 0.27 C ATOM 0 H PHE A 231 12.283 -0.951 -4.935 1.00 0.17 H new ATOM 0 HA PHE A 231 12.068 -3.520 -3.746 1.00 0.20 H new ATOM 0 HB2 PHE A 231 12.923 -2.346 -6.341 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.649 -3.891 -5.944 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.213 -2.560 -5.289 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.586 -5.505 -7.249 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.172 -3.695 -6.061 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.552 -6.635 -8.019 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.361 -5.793 -7.390 1.00 0.27 H new ATOM 1095 N GLN A 232 14.848 -2.031 -3.297 1.00 0.20 N ATOM 1096 CA GLN A 232 16.115 -2.193 -2.606 1.00 0.23 C ATOM 1097 C GLN A 232 15.856 -2.245 -1.110 1.00 0.25 C ATOM 1098 O GLN A 232 16.407 -3.083 -0.398 1.00 0.28 O ATOM 1099 CB GLN A 232 17.096 -1.065 -2.939 1.00 0.24 C ATOM 1100 CG GLN A 232 17.240 -0.774 -4.425 1.00 0.28 C ATOM 1101 CD GLN A 232 17.637 -1.989 -5.240 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.824 -2.257 -5.440 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.648 -2.726 -5.724 1.00 0.36 N ATOM 0 H GLN A 232 14.564 -1.066 -3.466 1.00 0.20 H new ATOM 0 HA GLN A 232 16.575 -3.123 -2.939 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.770 -0.156 -2.433 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.075 -1.321 -2.535 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.296 -0.384 -4.805 1.00 0.28 H new ATOM 0 HG3 GLN A 232 17.987 0.008 -4.564 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.680 -2.468 -5.534 1.00 0.36 H new ATOM 0 HE22 GLN A 232 16.855 -3.551 -6.286 1.00 0.36 H new ATOM 1112 N ARG A 233 15.012 -1.327 -0.644 1.00 0.24 N ATOM 1113 CA ARG A 233 14.557 -1.306 0.741 1.00 0.27 C ATOM 1114 C ARG A 233 13.795 -2.586 1.081 1.00 0.29 C ATOM 1115 O ARG A 233 13.784 -3.035 2.223 1.00 0.33 O ATOM 1116 CB ARG A 233 13.609 -0.121 0.938 1.00 0.27 C ATOM 1117 CG ARG A 233 14.253 1.229 0.679 1.00 0.27 C ATOM 1118 CD ARG A 233 13.231 2.352 0.734 1.00 0.40 C ATOM 1119 NE ARG A 233 13.211 3.030 2.026 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.129 4.352 2.160 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.078 5.131 1.081 1.00 0.93 N ATOM 1122 NH2 ARG A 233 13.112 4.901 3.369 1.00 1.39 N ATOM 0 H ARG A 233 14.625 -0.577 -1.217 1.00 0.24 H new ATOM 0 HA ARG A 233 15.429 -1.222 1.389 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.753 -0.238 0.273 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.225 -0.140 1.958 1.00 0.27 H new ATOM 0 HG2 ARG A 233 15.033 1.409 1.418 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.735 1.222 -0.298 1.00 0.27 H new ATOM 0 HD2 ARG A 233 13.451 3.077 -0.049 1.00 0.40 H new ATOM 0 HD3 ARG A 233 12.241 1.948 0.525 1.00 0.40 H new ATOM 0 HE ARG A 233 13.263 2.461 2.871 1.00 0.69 H new ATOM 0 HH11 ARG A 233 13.102 4.715 0.150 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.015 6.144 1.186 1.00 0.93 H new ATOM 0 HH21 ARG A 233 13.162 4.309 4.198 1.00 1.39 H new ATOM 0 HH22 ARG A 233 13.049 5.914 3.468 1.00 1.39 H new ATOM 1136 N VAL A 234 13.153 -3.152 0.054 1.00 0.27 N ATOM 1137 CA VAL A 234 12.223 -4.272 0.170 1.00 0.27 C ATOM 1138 C VAL A 234 11.777 -4.698 -1.237 1.00 0.25 C ATOM 1139 O VAL A 234 10.929 -4.062 -1.855 1.00 0.24 O ATOM 1140 CB VAL A 234 10.981 -3.915 1.044 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.576 -2.459 0.865 1.00 0.28 C ATOM 1142 CG2 VAL A 234 9.796 -4.826 0.734 1.00 0.26 C ATOM 0 H VAL A 234 13.272 -2.832 -0.907 1.00 0.27 H new ATOM 0 HA VAL A 234 12.737 -5.094 0.668 1.00 0.27 H new ATOM 0 HB VAL A 234 11.272 -4.070 2.083 1.00 0.27 H new ATOM 0 HG11 VAL A 234 9.708 -2.244 1.488 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.403 -1.813 1.159 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.327 -2.277 -0.180 1.00 0.28 H new ATOM 0 HG21 VAL A 234 8.949 -4.548 1.362 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.520 -4.720 -0.315 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.071 -5.862 0.934 1.00 0.26 H new ATOM 1152 N PRO A 235 12.370 -5.763 -1.780 1.00 0.27 N ATOM 1153 CA PRO A 235 12.127 -6.190 -3.159 1.00 0.27 C ATOM 1154 C PRO A 235 10.845 -6.997 -3.338 1.00 0.30 C ATOM 1155 O PRO A 235 10.259 -7.010 -4.419 1.00 0.32 O ATOM 1156 CB PRO A 235 13.345 -7.068 -3.491 1.00 0.30 C ATOM 1157 CG PRO A 235 14.190 -7.122 -2.252 1.00 0.34 C ATOM 1158 CD PRO A 235 13.339 -6.633 -1.113 1.00 0.33 C ATOM 0 HA PRO A 235 12.001 -5.325 -3.810 1.00 0.27 H new ATOM 0 HB2 PRO A 235 13.031 -8.068 -3.789 1.00 0.30 H new ATOM 0 HB3 PRO A 235 13.908 -6.649 -4.325 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.535 -8.139 -2.066 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.078 -6.500 -2.364 1.00 0.34 H new ATOM 0 HD2 PRO A 235 12.851 -7.456 -0.591 1.00 0.33 H new ATOM 0 HD3 PRO A 235 13.927 -6.090 -0.373 1.00 0.33 H new ATOM 1166 N ARG A 236 10.392 -7.647 -2.287 1.00 0.31 N ATOM 1167 CA ARG A 236 9.270 -8.571 -2.399 1.00 0.31 C ATOM 1168 C ARG A 236 7.913 -7.885 -2.185 1.00 0.28 C ATOM 1169 O ARG A 236 6.979 -8.508 -1.682 1.00 0.32 O ATOM 1170 CB ARG A 236 9.428 -9.723 -1.400 1.00 0.39 C ATOM 1171 CG ARG A 236 9.387 -9.291 0.064 1.00 0.67 C ATOM 1172 CD ARG A 236 10.657 -8.573 0.501 1.00 1.04 C ATOM 1173 NE ARG A 236 11.816 -9.463 0.488 1.00 1.78 N ATOM 1174 CZ ARG A 236 12.858 -9.353 1.314 1.00 2.75 C ATOM 1175 NH1 ARG A 236 12.918 -8.366 2.197 1.00 3.36 N ATOM 1176 NH2 ARG A 236 13.848 -10.230 1.249 1.00 3.49 N ATOM 0 H ARG A 236 10.777 -7.557 -1.347 1.00 0.31 H new ATOM 0 HA ARG A 236 9.283 -8.957 -3.418 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.636 -10.452 -1.575 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.375 -10.228 -1.592 1.00 0.39 H new ATOM 0 HG2 ARG A 236 8.531 -8.635 0.221 1.00 0.67 H new ATOM 0 HG3 ARG A 236 9.236 -10.168 0.693 1.00 0.67 H new ATOM 0 HD2 ARG A 236 10.842 -7.726 -0.160 1.00 1.04 H new ATOM 0 HD3 ARG A 236 10.520 -8.170 1.504 1.00 1.04 H new ATOM 0 HE ARG A 236 11.829 -10.218 -0.198 1.00 1.78 H new ATOM 0 HH11 ARG A 236 12.163 -7.682 2.249 1.00 3.36 H new ATOM 0 HH12 ARG A 236 13.719 -8.291 2.824 1.00 3.36 H new ATOM 0 HH21 ARG A 236 13.813 -10.989 0.568 1.00 3.49 H new ATOM 0 HH22 ARG A 236 14.645 -10.147 1.880 1.00 3.49 H new ATOM 1190 N GLY A 237 7.787 -6.618 -2.563 1.00 0.23 N ATOM 1191 CA GLY A 237 6.514 -5.941 -2.390 1.00 0.20 C ATOM 1192 C GLY A 237 5.843 -5.573 -3.701 1.00 0.15 C ATOM 1193 O GLY A 237 5.068 -4.623 -3.751 1.00 0.15 O ATOM 0 H GLY A 237 8.529 -6.055 -2.979 1.00 0.23 H new ATOM 0 HA2 GLY A 237 5.845 -6.582 -1.816 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.669 -5.036 -1.803 1.00 0.20 H new ATOM 1197 N GLU A 238 6.126 -6.331 -4.758 1.00 0.16 N ATOM 1198 CA GLU A 238 5.520 -6.109 -6.076 1.00 0.15 C ATOM 1199 C GLU A 238 3.989 -6.118 -6.012 1.00 0.13 C ATOM 1200 O GLU A 238 3.320 -5.273 -6.611 1.00 0.13 O ATOM 1201 CB GLU A 238 6.012 -7.184 -7.046 1.00 0.19 C ATOM 1202 CG GLU A 238 5.390 -7.110 -8.430 1.00 1.06 C ATOM 1203 CD GLU A 238 5.821 -8.264 -9.310 1.00 1.37 C ATOM 1204 OE1 GLU A 238 6.882 -8.157 -9.957 1.00 1.74 O ATOM 1205 OE2 GLU A 238 5.097 -9.279 -9.372 1.00 1.55 O ATOM 0 H GLU A 238 6.779 -7.114 -4.729 1.00 0.16 H new ATOM 0 HA GLU A 238 5.823 -5.122 -6.426 1.00 0.15 H new ATOM 0 HB2 GLU A 238 7.095 -7.102 -7.142 1.00 0.19 H new ATOM 0 HB3 GLU A 238 5.804 -8.165 -6.619 1.00 0.19 H new ATOM 0 HG2 GLU A 238 4.304 -7.110 -8.339 1.00 1.06 H new ATOM 0 HG3 GLU A 238 5.671 -6.169 -8.903 1.00 1.06 H new ATOM 1212 N ILE A 239 3.458 -7.066 -5.260 1.00 0.12 N ATOM 1213 CA ILE A 239 2.016 -7.257 -5.164 1.00 0.12 C ATOM 1214 C ILE A 239 1.372 -6.071 -4.417 1.00 0.12 C ATOM 1215 O ILE A 239 0.234 -5.674 -4.702 1.00 0.12 O ATOM 1216 CB ILE A 239 1.707 -8.618 -4.484 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.526 -9.320 -5.160 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.451 -8.454 -2.995 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.790 -8.608 -4.987 1.00 0.26 C ATOM 0 H ILE A 239 4.006 -7.721 -4.702 1.00 0.12 H new ATOM 0 HA ILE A 239 1.581 -7.284 -6.163 1.00 0.12 H new ATOM 0 HB ILE A 239 2.590 -9.245 -4.604 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.737 -9.419 -6.225 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.437 -10.329 -4.757 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.238 -9.427 -2.553 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.333 -8.024 -2.519 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.598 -7.792 -2.843 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.576 -9.168 -5.494 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -1.026 -8.532 -3.926 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.722 -7.608 -5.416 1.00 0.26 H new ATOM 1231 N LEU A 240 2.137 -5.480 -3.506 1.00 0.13 N ATOM 1232 CA LEU A 240 1.692 -4.297 -2.771 1.00 0.14 C ATOM 1233 C LEU A 240 1.367 -3.164 -3.738 1.00 0.14 C ATOM 1234 O LEU A 240 0.259 -2.631 -3.749 1.00 0.14 O ATOM 1235 CB LEU A 240 2.772 -3.846 -1.779 1.00 0.18 C ATOM 1236 CG LEU A 240 2.671 -4.435 -0.372 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.947 -4.156 0.404 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.476 -3.850 0.367 1.00 0.25 C ATOM 0 H LEU A 240 3.073 -5.801 -3.257 1.00 0.13 H new ATOM 0 HA LEU A 240 0.791 -4.555 -2.215 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.748 -4.104 -2.191 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.736 -2.759 -1.701 1.00 0.18 H new ATOM 0 HG LEU A 240 2.534 -5.513 -0.458 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.864 -4.580 1.405 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.793 -4.608 -0.113 1.00 0.45 H new ATOM 0 HD13 LEU A 240 4.100 -3.079 0.478 1.00 0.45 H new ATOM 0 HD21 LEU A 240 1.420 -4.281 1.367 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.589 -2.769 0.444 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.562 -4.081 -0.179 1.00 0.25 H new ATOM 1250 N TRP A 241 2.338 -2.839 -4.575 1.00 0.14 N ATOM 1251 CA TRP A 241 2.221 -1.753 -5.540 1.00 0.15 C ATOM 1252 C TRP A 241 1.051 -1.928 -6.488 1.00 0.15 C ATOM 1253 O TRP A 241 0.419 -0.963 -6.909 1.00 0.16 O ATOM 1254 CB TRP A 241 3.525 -1.676 -6.311 1.00 0.17 C ATOM 1255 CG TRP A 241 4.591 -1.200 -5.390 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.523 -1.953 -4.755 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.775 0.143 -4.932 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.283 -1.163 -3.936 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.849 0.129 -4.031 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.142 1.358 -5.203 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.304 1.277 -3.395 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.598 2.501 -4.574 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.670 2.453 -3.677 1.00 0.19 C ATOM 0 H TRP A 241 3.236 -3.322 -4.606 1.00 0.14 H new ATOM 0 HA TRP A 241 2.028 -0.826 -5.000 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.784 -2.654 -6.716 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.425 -0.997 -7.158 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.647 -3.019 -4.878 1.00 0.17 H new ATOM 0 HE1 TRP A 241 7.051 -1.487 -3.348 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.311 1.404 -5.892 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.131 1.241 -2.701 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.119 3.447 -4.779 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.002 3.363 -3.199 1.00 0.19 H new ATOM 1274 N SER A 242 0.777 -3.182 -6.802 1.00 0.15 N ATOM 1275 CA SER A 242 -0.292 -3.538 -7.715 1.00 0.15 C ATOM 1276 C SER A 242 -1.633 -3.057 -7.172 1.00 0.14 C ATOM 1277 O SER A 242 -2.405 -2.392 -7.871 1.00 0.14 O ATOM 1278 CB SER A 242 -0.309 -5.052 -7.897 1.00 0.16 C ATOM 1279 OG SER A 242 -1.214 -5.451 -8.912 1.00 0.24 O ATOM 0 H SER A 242 1.290 -3.981 -6.431 1.00 0.15 H new ATOM 0 HA SER A 242 -0.121 -3.058 -8.678 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.694 -5.399 -8.147 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.585 -5.528 -6.956 1.00 0.16 H new ATOM 0 HG SER A 242 -1.793 -6.164 -8.572 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.888 -3.381 -5.912 1.00 0.13 N ATOM 1286 CA HIS A 243 -3.099 -2.933 -5.243 1.00 0.13 C ATOM 1287 C HIS A 243 -3.068 -1.417 -5.066 1.00 0.13 C ATOM 1288 O HIS A 243 -4.101 -0.753 -5.093 1.00 0.13 O ATOM 1289 CB HIS A 243 -3.251 -3.637 -3.891 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.347 -3.085 -3.030 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.155 -2.860 -1.693 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.614 -2.727 -3.360 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.295 -2.377 -1.240 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.209 -2.275 -2.210 1.00 0.17 N ATOM 0 H HIS A 243 -1.272 -3.952 -5.334 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.961 -3.191 -5.859 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.440 -4.696 -4.065 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.308 -3.566 -3.349 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.304 -3.031 -1.157 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -6.066 -2.787 -4.339 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.469 -2.098 -0.211 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.872 -0.881 -4.933 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.716 0.545 -4.718 1.00 0.12 C ATOM 1304 C LEU A 244 -2.095 1.318 -5.977 1.00 0.13 C ATOM 1305 O LEU A 244 -2.739 2.368 -5.896 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.297 0.887 -4.264 1.00 0.13 C ATOM 1307 CG LEU A 244 -0.004 2.378 -4.134 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -1.107 3.067 -3.351 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.340 2.598 -3.460 1.00 0.17 C ATOM 0 H LEU A 244 -0.998 -1.406 -4.969 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.393 0.844 -3.918 1.00 0.12 H new ATOM 0 HB2 LEU A 244 -0.115 0.411 -3.300 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.409 0.454 -4.972 1.00 0.13 H new ATOM 0 HG LEU A 244 0.035 2.811 -5.133 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.884 4.131 -3.267 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -2.057 2.936 -3.869 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -1.173 2.630 -2.355 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.534 3.667 -3.375 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.326 2.152 -2.466 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.126 2.133 -4.055 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.697 0.808 -7.137 1.00 0.15 N ATOM 1322 CA GLU A 245 -2.149 1.390 -8.391 1.00 0.18 C ATOM 1323 C GLU A 245 -3.675 1.413 -8.433 1.00 0.17 C ATOM 1324 O GLU A 245 -4.281 2.433 -8.738 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.599 0.617 -9.588 1.00 0.25 C ATOM 1326 CG GLU A 245 -0.083 0.599 -9.668 1.00 0.34 C ATOM 1327 CD GLU A 245 0.417 -0.211 -10.842 1.00 0.59 C ATOM 1328 OE1 GLU A 245 0.586 -1.438 -10.693 1.00 0.76 O ATOM 1329 OE2 GLU A 245 0.629 0.375 -11.926 1.00 0.83 O ATOM 0 H GLU A 245 -1.073 0.007 -7.234 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.772 2.411 -8.449 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -1.962 -0.410 -9.542 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.996 1.055 -10.504 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.287 1.621 -9.750 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.323 0.186 -8.745 1.00 0.34 H new ATOM 1336 N LEU A 246 -4.280 0.290 -8.064 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.733 0.138 -8.097 1.00 0.16 C ATOM 1338 C LEU A 246 -6.409 1.039 -7.059 1.00 0.16 C ATOM 1339 O LEU A 246 -7.517 1.523 -7.283 1.00 0.17 O ATOM 1340 CB LEU A 246 -6.116 -1.325 -7.866 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.552 -1.688 -8.224 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -7.730 -1.676 -9.729 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.917 -3.049 -7.655 1.00 0.22 C ATOM 0 H LEU A 246 -3.782 -0.537 -7.735 1.00 0.16 H new ATOM 0 HA LEU A 246 -6.083 0.444 -9.083 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.444 -1.955 -8.448 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.949 -1.565 -6.816 1.00 0.17 H new ATOM 0 HG LEU A 246 -8.220 -0.946 -7.786 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -8.759 -1.937 -9.976 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -7.505 -0.681 -10.114 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -7.054 -2.401 -10.181 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.946 -3.291 -7.921 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -7.249 -3.806 -8.065 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.818 -3.028 -6.570 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.742 1.260 -5.938 1.00 0.17 N ATOM 1356 CA LEU A 247 -6.186 2.253 -4.960 1.00 0.16 C ATOM 1357 C LEU A 247 -6.330 3.632 -5.593 1.00 0.17 C ATOM 1358 O LEU A 247 -7.432 4.164 -5.687 1.00 0.19 O ATOM 1359 CB LEU A 247 -5.204 2.344 -3.787 1.00 0.15 C ATOM 1360 CG LEU A 247 -5.236 1.180 -2.800 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -4.102 1.311 -1.797 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.572 1.135 -2.077 1.00 0.19 C ATOM 0 H LEU A 247 -4.888 0.766 -5.678 1.00 0.17 H new ATOM 0 HA LEU A 247 -7.160 1.926 -4.595 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -4.194 2.427 -4.189 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.406 3.265 -3.240 1.00 0.15 H new ATOM 0 HG LEU A 247 -5.109 0.251 -3.355 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -4.136 0.475 -1.099 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -3.148 1.306 -2.324 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -4.208 2.247 -1.248 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.579 0.300 -1.377 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.722 2.067 -1.532 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.375 1.006 -2.803 1.00 0.19 H new ATOM 1374 N ARG A 248 -5.242 4.200 -6.062 1.00 0.18 N ATOM 1375 CA ARG A 248 -5.292 5.586 -6.513 1.00 0.22 C ATOM 1376 C ARG A 248 -6.046 5.717 -7.838 1.00 0.23 C ATOM 1377 O ARG A 248 -6.502 6.803 -8.198 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.897 6.191 -6.611 1.00 0.25 C ATOM 1379 CG ARG A 248 -3.082 5.695 -7.791 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.769 6.450 -7.885 1.00 0.27 C ATOM 1381 NE ARG A 248 -1.959 7.881 -7.647 1.00 1.21 N ATOM 1382 CZ ARG A 248 -1.565 8.840 -8.475 1.00 1.50 C ATOM 1383 NH1 ARG A 248 -0.966 8.538 -9.619 1.00 1.09 N ATOM 1384 NH2 ARG A 248 -1.783 10.107 -8.153 1.00 2.49 N ATOM 0 H ARG A 248 -4.332 3.746 -6.143 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.844 6.151 -5.762 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.988 7.275 -6.677 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -3.354 5.972 -5.692 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -2.888 4.628 -7.683 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.649 5.824 -8.713 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -1.064 6.049 -7.157 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -1.330 6.299 -8.871 1.00 0.27 H new ATOM 0 HE ARG A 248 -2.427 8.161 -6.785 1.00 1.21 H new ATOM 0 HH11 ARG A 248 -0.805 7.562 -9.868 1.00 1.09 H new ATOM 0 HH12 ARG A 248 -0.666 9.282 -10.250 1.00 1.09 H new ATOM 0 HH21 ARG A 248 -2.250 10.337 -7.276 1.00 2.49 H new ATOM 0 HH22 ARG A 248 -1.484 10.852 -8.782 1.00 2.49 H new ATOM 1398 N LYS A 249 -6.204 4.604 -8.535 1.00 0.21 N ATOM 1399 CA LYS A 249 -6.961 4.574 -9.784 1.00 0.25 C ATOM 1400 C LYS A 249 -8.459 4.652 -9.529 1.00 0.20 C ATOM 1401 O LYS A 249 -9.196 5.297 -10.275 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.651 3.293 -10.556 1.00 0.33 C ATOM 1403 CG LYS A 249 -5.354 3.360 -11.342 1.00 0.44 C ATOM 1404 CD LYS A 249 -5.465 4.316 -12.521 1.00 1.04 C ATOM 1405 CE LYS A 249 -6.510 3.839 -13.516 1.00 1.12 C ATOM 1406 NZ LYS A 249 -6.676 4.783 -14.652 1.00 1.32 N ATOM 0 H LYS A 249 -5.817 3.702 -8.258 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.663 5.443 -10.370 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.600 2.459 -9.856 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.472 3.083 -11.242 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -4.546 3.683 -10.686 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -5.094 2.365 -11.702 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -5.727 5.311 -12.163 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -4.498 4.400 -13.017 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -6.224 2.859 -13.899 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -7.465 3.716 -13.006 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -7.398 4.417 -15.305 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -6.974 5.712 -14.291 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -5.772 4.882 -15.156 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.902 4.012 -8.462 1.00 0.24 N ATOM 1421 CA TYR A 250 -10.331 3.863 -8.209 1.00 0.41 C ATOM 1422 C TYR A 250 -10.803 4.774 -7.089 1.00 0.49 C ATOM 1423 O TYR A 250 -11.639 4.403 -6.264 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.686 2.408 -7.904 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.761 1.528 -9.134 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -10.615 2.065 -10.409 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -10.986 0.163 -9.021 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -10.689 1.269 -11.533 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -11.061 -0.642 -10.145 1.00 0.69 C ATOM 1430 CZ TYR A 250 -10.910 -0.083 -11.397 1.00 0.54 C ATOM 1431 OH TYR A 250 -10.981 -0.874 -12.521 1.00 0.59 O ATOM 0 H TYR A 250 -8.299 3.587 -7.757 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.851 4.161 -9.119 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -9.943 1.998 -7.220 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.646 2.378 -7.388 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -10.440 3.125 -10.521 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -11.104 -0.278 -8.042 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -10.574 1.704 -12.515 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -11.237 -1.703 -10.042 1.00 0.69 H new ATOM 0 HH TYR A 250 -11.140 -1.804 -12.257 1.00 0.59 H new ATOM 1441 N VAL A 251 -10.258 5.981 -7.085 1.00 0.55 N ATOM 1442 CA VAL A 251 -10.679 7.025 -6.172 1.00 0.76 C ATOM 1443 C VAL A 251 -10.597 8.370 -6.892 1.00 0.83 C ATOM 1444 O VAL A 251 -10.839 9.427 -6.313 1.00 1.07 O ATOM 1445 CB VAL A 251 -9.783 7.043 -4.913 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -8.363 7.463 -5.262 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -10.367 7.934 -3.827 1.00 1.95 C ATOM 0 H VAL A 251 -9.509 6.262 -7.718 1.00 0.55 H new ATOM 0 HA VAL A 251 -11.704 6.835 -5.854 1.00 0.76 H new ATOM 0 HB VAL A 251 -9.747 6.028 -4.519 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -7.753 7.468 -4.359 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -7.942 6.760 -5.981 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -8.376 8.463 -5.697 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -9.712 7.923 -2.956 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -10.456 8.954 -4.202 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -11.352 7.564 -3.544 1.00 1.95 H new ATOM 1457 N LEU A 252 -10.267 8.296 -8.186 1.00 1.23 N ATOM 1458 CA LEU A 252 -9.999 9.477 -9.004 1.00 2.17 C ATOM 1459 C LEU A 252 -8.802 10.243 -8.450 1.00 3.19 C ATOM 1460 O LEU A 252 -8.719 11.465 -8.574 1.00 3.99 O ATOM 1461 CB LEU A 252 -11.232 10.388 -9.094 1.00 2.05 C ATOM 1462 CG LEU A 252 -12.466 9.751 -9.737 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -13.648 10.707 -9.685 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -12.171 9.343 -11.176 1.00 2.64 C ATOM 0 H LEU A 252 -10.179 7.415 -8.693 1.00 1.23 H new ATOM 0 HA LEU A 252 -9.764 9.141 -10.014 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -11.495 10.717 -8.089 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -10.965 11.279 -9.662 1.00 2.05 H new ATOM 0 HG LEU A 252 -12.723 8.855 -9.172 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -14.516 10.237 -10.147 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -13.875 10.949 -8.647 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -13.400 11.621 -10.224 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -13.060 8.892 -11.616 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -11.887 10.223 -11.753 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -11.354 8.622 -11.189 1.00 2.64 H new ATOM 1476 N ALA A 253 -7.876 9.490 -7.849 1.00 3.24 N ATOM 1477 CA ALA A 253 -6.670 10.039 -7.233 1.00 4.18 C ATOM 1478 C ALA A 253 -6.996 11.180 -6.268 1.00 4.09 C ATOM 1479 O ALA A 253 -6.747 12.346 -6.571 1.00 4.94 O ATOM 1480 CB ALA A 253 -5.691 10.479 -8.311 1.00 4.92 C ATOM 0 H ALA A 253 -7.945 8.475 -7.777 1.00 3.24 H new ATOM 0 HA ALA A 253 -6.200 9.255 -6.639 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -4.795 10.887 -7.844 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -5.421 9.622 -8.928 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -6.155 11.243 -8.934 1.00 4.92 H new ATOM 1486 N SER A 254 -7.539 10.812 -5.101 1.00 3.08 N ATOM 1487 CA SER A 254 -7.969 11.768 -4.080 1.00 2.81 C ATOM 1488 C SER A 254 -9.223 12.520 -4.533 1.00 3.53 C ATOM 1489 O SER A 254 -10.334 11.970 -4.371 1.00 3.77 O ATOM 1490 CB SER A 254 -6.837 12.743 -3.735 1.00 3.46 C ATOM 1491 OG SER A 254 -5.638 12.037 -3.452 1.00 3.67 O ATOM 1492 OXT SER A 254 -9.102 13.650 -5.045 1.00 4.31 O ATOM 0 H SER A 254 -7.692 9.838 -4.840 1.00 3.08 H new ATOM 0 HA SER A 254 -8.219 11.211 -3.177 1.00 2.81 H new ATOM 0 HB2 SER A 254 -6.674 13.428 -4.567 1.00 3.46 H new ATOM 0 HB3 SER A 254 -7.121 13.348 -2.874 1.00 3.46 H new ATOM 0 HG SER A 254 -4.867 12.588 -3.702 1.00 3.67 H new TER 1498 SER A 254