USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 805 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 149 TYR OH : rot -122:sc= 0.953 USER MOD Set 1.2: A 199 THR OG1 : rot -88:sc= 1.27 USER MOD Set 2.1: A 162 TYR OH : rot 46:sc= 1.18 USER MOD Set 2.2: A 186 GLN : amide:sc= 0.488 K(o=1.7,f=1.1) USER MOD Set 2.3: A 190 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 188 THR OG1 : rot 76:sc= 1.22 USER MOD Set 3.2: A 206 MET CE :methyl 178:sc= -0.183 (180deg=-0.191) USER MOD Set 4.1: A 177 HIS : no HE2:sc= -0.804 K(o=-0.81,f=-1.8) USER MOD Set 4.2: A 181 ASN : amide:sc=-0.00554 K(o=-0.81,f=-1.8) USER MOD Set 5.1: A 171 ASN : amide:sc= -0.674 X(o=-2.5,f=-3) USER MOD Set 5.2: A 174 ASN :FLIP amide:sc= -1.83 F(o=-3.1,f=-2.5) USER MOD Set 6.1: A 138 MET CE :methyl -152:sc= -0.949 (180deg=-2.71!) USER MOD Set 6.2: A 154 MET CE :methyl -99:sc= -0.195 (180deg=-0.195) USER MOD Single : A 128 TYR OH : rot 164:sc= 1.24 USER MOD Single : A 129 MET CE :methyl 155:sc= -2.26! (180deg=-4.12!) USER MOD Single : A 132 SER OG : rot 180:sc= 0.292 USER MOD Single : A 134 MET CE :methyl -150:sc= -0.541 (180deg=-2.18) USER MOD Single : A 135 SER OG : rot -73:sc= 0.113 USER MOD Single : A 140 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.13) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.202 F(o=-0.91,f=-0.2) USER MOD Single : A 150 TYR OH : rot -179:sc= 0.969 USER MOD Single : A 153 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.29) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.068) USER MOD Single : A 160 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.53) USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= 0.807 K(o=0.81,f=-0.0068) USER MOD Single : A 170 SER OG : rot 35:sc= 0.823 USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 THR OG1 : rot 82:sc= 1.53 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 187 HIS : no HE2:sc= 0.208 K(o=0.21,f=-4.4!) USER MOD Single : A 191 THR OG1 : rot 21:sc= 0.894 USER MOD Single : A 192 THR OG1 : rot 69:sc= 0.317 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 201 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -127:sc= -0.109 (180deg=-0.372) USER MOD Single : A 212 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.45) USER MOD Single : A 213 MET CE :methyl 165:sc= -0.16 (180deg=-0.602) USER MOD Single : A 216 THR OG1 : rot 87:sc= 0.0706 USER MOD Single : A 217 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 SER OG : rot 84:sc= 0.849 USER MOD Single : A 223 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 125 9.482 -13.420 -1.932 1.00 0.00 N ATOM 66 CA LEU A 125 9.455 -12.475 -3.051 1.00 0.00 C ATOM 67 C LEU A 125 10.905 -12.316 -3.503 1.00 0.00 C ATOM 68 O LEU A 125 11.814 -12.719 -2.776 1.00 0.00 O ATOM 69 CB LEU A 125 8.834 -11.125 -2.675 1.00 0.00 C ATOM 70 CG LEU A 125 7.338 -11.148 -2.321 1.00 0.00 C ATOM 71 CD1 LEU A 125 6.891 -9.736 -1.957 1.00 0.00 C ATOM 72 CD2 LEU A 125 6.364 -11.631 -3.407 1.00 0.00 C ATOM 0 HA LEU A 125 8.823 -12.857 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.382 -10.719 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 125 8.980 -10.436 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 125 7.285 -11.875 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.831 -9.744 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.465 -9.382 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.057 -9.072 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.344 -11.596 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.445 -10.985 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.611 -12.655 -3.688 1.00 0.00 H new ATOM 84 N GLY A 126 11.137 -11.695 -4.656 1.00 0.00 N ATOM 85 CA GLY A 126 12.407 -11.605 -5.361 1.00 0.00 C ATOM 86 C GLY A 126 13.362 -10.618 -4.706 1.00 0.00 C ATOM 87 O GLY A 126 13.822 -9.680 -5.352 1.00 0.00 O ATOM 0 H GLY A 126 10.391 -11.209 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.872 -12.590 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.227 -11.303 -6.393 1.00 0.00 H new ATOM 91 N GLY A 127 13.653 -10.798 -3.425 1.00 0.00 N ATOM 92 CA GLY A 127 14.498 -9.910 -2.645 1.00 0.00 C ATOM 93 C GLY A 127 13.762 -8.604 -2.376 1.00 0.00 C ATOM 94 O GLY A 127 14.340 -7.523 -2.518 1.00 0.00 O ATOM 0 H GLY A 127 13.297 -11.588 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.770 -10.386 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.426 -9.712 -3.181 1.00 0.00 H new ATOM 98 N TYR A 128 12.468 -8.695 -2.059 1.00 0.00 N ATOM 99 CA TYR A 128 11.697 -7.554 -1.595 1.00 0.00 C ATOM 100 C TYR A 128 11.943 -7.403 -0.093 1.00 0.00 C ATOM 101 O TYR A 128 12.412 -8.325 0.581 1.00 0.00 O ATOM 102 CB TYR A 128 10.197 -7.744 -1.892 1.00 0.00 C ATOM 103 CG TYR A 128 9.764 -7.570 -3.339 1.00 0.00 C ATOM 104 CD1 TYR A 128 10.411 -8.273 -4.373 1.00 0.00 C ATOM 105 CD2 TYR A 128 8.657 -6.751 -3.647 1.00 0.00 C ATOM 106 CE1 TYR A 128 9.936 -8.203 -5.688 1.00 0.00 C ATOM 107 CE2 TYR A 128 8.151 -6.705 -4.963 1.00 0.00 C ATOM 108 CZ TYR A 128 8.771 -7.469 -5.982 1.00 0.00 C ATOM 109 OH TYR A 128 8.247 -7.574 -7.231 1.00 0.00 O ATOM 0 H TYR A 128 11.933 -9.561 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 128 12.011 -6.651 -2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 128 9.909 -8.744 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.636 -7.037 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 128 11.282 -8.872 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.195 -6.157 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.465 -8.714 -6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 128 7.294 -6.089 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 128 7.327 -7.237 -7.229 1.00 0.00 H new ATOM 119 N MET A 129 11.566 -6.247 0.421 1.00 0.00 N ATOM 120 CA MET A 129 11.459 -5.895 1.822 1.00 0.00 C ATOM 121 C MET A 129 9.992 -5.662 2.128 1.00 0.00 C ATOM 122 O MET A 129 9.180 -5.567 1.212 1.00 0.00 O ATOM 123 CB MET A 129 12.229 -4.588 2.086 1.00 0.00 C ATOM 124 CG MET A 129 13.737 -4.594 1.820 1.00 0.00 C ATOM 125 SD MET A 129 14.772 -5.235 3.162 1.00 0.00 S ATOM 126 CE MET A 129 14.135 -6.916 3.262 1.00 0.00 C ATOM 0 H MET A 129 11.306 -5.467 -0.182 1.00 0.00 H new ATOM 0 HA MET A 129 11.871 -6.690 2.444 1.00 0.00 H new ATOM 0 HB2 MET A 129 11.782 -3.804 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 129 12.072 -4.309 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 129 13.927 -5.187 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.052 -3.574 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 129 14.899 -7.570 3.683 1.00 0.00 H new ATOM 0 HE2 MET A 129 13.251 -6.933 3.900 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.869 -7.264 2.264 1.00 0.00 H new ATOM 136 N LEU A 130 9.671 -5.520 3.407 1.00 0.00 N ATOM 137 CA LEU A 130 8.441 -4.983 3.946 1.00 0.00 C ATOM 138 C LEU A 130 8.826 -3.926 4.978 1.00 0.00 C ATOM 139 O LEU A 130 9.824 -4.106 5.671 1.00 0.00 O ATOM 140 CB LEU A 130 7.640 -6.166 4.508 1.00 0.00 C ATOM 141 CG LEU A 130 6.373 -5.797 5.282 1.00 0.00 C ATOM 142 CD1 LEU A 130 6.605 -5.201 6.672 1.00 0.00 C ATOM 143 CD2 LEU A 130 5.403 -5.022 4.412 1.00 0.00 C ATOM 0 H LEU A 130 10.316 -5.800 4.146 1.00 0.00 H new ATOM 0 HA LEU A 130 7.804 -4.490 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 130 7.362 -6.819 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.291 -6.743 5.165 1.00 0.00 H new ATOM 0 HG LEU A 130 5.886 -6.741 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 130 5.645 -4.975 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 130 7.146 -5.918 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 130 7.190 -4.285 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.513 -4.775 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.878 -4.104 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.120 -5.630 3.553 1.00 0.00 H new ATOM 155 N GLY A 131 8.066 -2.833 5.066 1.00 0.00 N ATOM 156 CA GLY A 131 8.300 -1.718 5.984 1.00 0.00 C ATOM 157 C GLY A 131 7.942 -2.066 7.425 1.00 0.00 C ATOM 158 O GLY A 131 8.481 -2.989 8.034 1.00 0.00 O ATOM 0 H GLY A 131 7.243 -2.696 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.348 -1.424 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 131 7.712 -0.858 5.664 1.00 0.00 H new ATOM 162 N SER A 132 6.991 -1.317 7.963 1.00 0.00 N ATOM 163 CA SER A 132 6.097 -1.776 9.024 1.00 0.00 C ATOM 164 C SER A 132 4.722 -1.130 8.798 1.00 0.00 C ATOM 165 O SER A 132 4.454 -0.496 7.768 1.00 0.00 O ATOM 166 CB SER A 132 6.703 -1.490 10.413 1.00 0.00 C ATOM 167 OG SER A 132 5.962 -2.022 11.491 1.00 0.00 O ATOM 0 H SER A 132 6.813 -0.356 7.672 1.00 0.00 H new ATOM 0 HA SER A 132 5.968 -2.858 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 132 7.714 -1.897 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.789 -0.411 10.544 1.00 0.00 H new ATOM 0 HG SER A 132 6.408 -1.802 12.335 1.00 0.00 H new ATOM 173 N ALA A 133 3.832 -1.372 9.751 1.00 0.00 N ATOM 174 CA ALA A 133 2.434 -0.999 9.783 1.00 0.00 C ATOM 175 C ALA A 133 2.249 0.519 9.841 1.00 0.00 C ATOM 176 O ALA A 133 2.498 1.126 10.886 1.00 0.00 O ATOM 177 CB ALA A 133 1.845 -1.688 11.010 1.00 0.00 C ATOM 0 H ALA A 133 4.099 -1.880 10.594 1.00 0.00 H new ATOM 0 HA ALA A 133 1.924 -1.313 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 133 0.786 -1.445 11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 133 1.963 -2.767 10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 133 2.365 -1.345 11.905 1.00 0.00 H new ATOM 183 N MET A 134 1.784 1.122 8.746 1.00 0.00 N ATOM 184 CA MET A 134 1.445 2.540 8.657 1.00 0.00 C ATOM 185 C MET A 134 0.002 2.805 9.027 1.00 0.00 C ATOM 186 O MET A 134 -0.842 1.909 9.048 1.00 0.00 O ATOM 187 CB MET A 134 1.611 3.074 7.232 1.00 0.00 C ATOM 188 CG MET A 134 3.037 2.993 6.723 1.00 0.00 C ATOM 189 SD MET A 134 3.337 4.278 5.488 1.00 0.00 S ATOM 190 CE MET A 134 4.419 3.306 4.441 1.00 0.00 C ATOM 0 H MET A 134 1.629 0.621 7.871 1.00 0.00 H new ATOM 0 HA MET A 134 2.125 3.035 9.350 1.00 0.00 H new ATOM 0 HB2 MET A 134 0.961 2.511 6.562 1.00 0.00 H new ATOM 0 HB3 MET A 134 1.279 4.112 7.199 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.734 3.108 7.553 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.219 2.011 6.287 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.132 3.964 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 134 4.958 2.580 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 134 3.826 2.782 3.691 1.00 0.00 H new ATOM 200 N SER A 135 -0.284 4.074 9.266 1.00 0.00 N ATOM 201 CA SER A 135 -1.583 4.631 9.483 1.00 0.00 C ATOM 202 C SER A 135 -2.221 5.004 8.145 1.00 0.00 C ATOM 203 O SER A 135 -1.596 4.915 7.084 1.00 0.00 O ATOM 204 CB SER A 135 -1.395 5.809 10.444 1.00 0.00 C ATOM 205 OG SER A 135 -0.083 6.363 10.519 1.00 0.00 O ATOM 0 H SER A 135 0.448 4.783 9.314 1.00 0.00 H new ATOM 0 HA SER A 135 -2.278 3.924 9.936 1.00 0.00 H new ATOM 0 HB2 SER A 135 -2.084 6.601 10.152 1.00 0.00 H new ATOM 0 HB3 SER A 135 -1.687 5.485 11.443 1.00 0.00 H new ATOM 0 HG SER A 135 0.504 5.748 11.006 1.00 0.00 H new ATOM 211 N ARG A 136 -3.503 5.354 8.199 1.00 0.00 N ATOM 212 CA ARG A 136 -4.337 5.407 7.022 1.00 0.00 C ATOM 213 C ARG A 136 -4.263 6.816 6.423 1.00 0.00 C ATOM 214 O ARG A 136 -4.330 7.800 7.166 1.00 0.00 O ATOM 215 CB ARG A 136 -5.758 4.962 7.381 1.00 0.00 C ATOM 216 CG ARG A 136 -6.554 6.052 8.103 1.00 0.00 C ATOM 217 CD ARG A 136 -7.658 5.460 8.984 1.00 0.00 C ATOM 218 NE ARG A 136 -7.189 5.282 10.368 1.00 0.00 N ATOM 219 CZ ARG A 136 -6.916 6.242 11.258 1.00 0.00 C ATOM 220 NH1 ARG A 136 -7.154 7.521 10.991 1.00 0.00 N ATOM 221 NH2 ARG A 136 -6.370 5.907 12.422 1.00 0.00 N ATOM 0 H ARG A 136 -3.984 5.607 9.062 1.00 0.00 H new ATOM 0 HA ARG A 136 -3.986 4.717 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -6.285 4.675 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -5.708 4.075 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.879 6.648 8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.996 6.726 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -8.528 6.116 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.977 4.500 8.578 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.058 4.321 10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.553 7.788 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.938 8.236 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -6.165 4.929 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.156 6.628 13.111 1.00 0.00 H new ATOM 235 N PRO A 137 -4.098 6.939 5.109 1.00 0.00 N ATOM 236 CA PRO A 137 -4.125 8.220 4.426 1.00 0.00 C ATOM 237 C PRO A 137 -5.556 8.736 4.242 1.00 0.00 C ATOM 238 O PRO A 137 -6.531 7.998 4.429 1.00 0.00 O ATOM 239 CB PRO A 137 -3.410 7.953 3.096 1.00 0.00 C ATOM 240 CG PRO A 137 -3.645 6.466 2.842 1.00 0.00 C ATOM 241 CD PRO A 137 -3.740 5.851 4.231 1.00 0.00 C ATOM 0 HA PRO A 137 -3.632 9.010 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -3.820 8.565 2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -2.347 8.184 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -4.559 6.301 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -2.828 6.027 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -4.490 5.060 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -2.792 5.403 4.528 1.00 0.00 H new ATOM 249 N MET A 138 -5.694 10.000 3.836 1.00 0.00 N ATOM 250 CA MET A 138 -6.947 10.641 3.523 1.00 0.00 C ATOM 251 C MET A 138 -6.940 10.954 2.027 1.00 0.00 C ATOM 252 O MET A 138 -5.907 11.342 1.476 1.00 0.00 O ATOM 253 CB MET A 138 -7.070 11.893 4.399 1.00 0.00 C ATOM 254 CG MET A 138 -8.483 12.448 4.345 1.00 0.00 C ATOM 255 SD MET A 138 -9.647 11.867 5.612 1.00 0.00 S ATOM 256 CE MET A 138 -10.149 10.356 4.780 1.00 0.00 C ATOM 0 H MET A 138 -4.894 10.621 3.715 1.00 0.00 H new ATOM 0 HA MET A 138 -7.812 10.012 3.731 1.00 0.00 H new ATOM 0 HB2 MET A 138 -6.808 11.650 5.429 1.00 0.00 H new ATOM 0 HB3 MET A 138 -6.363 12.651 4.061 1.00 0.00 H new ATOM 0 HG2 MET A 138 -8.423 13.534 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 138 -8.902 12.213 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 138 -11.162 10.093 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 138 -10.122 10.508 3.701 1.00 0.00 H new ATOM 0 HE3 MET A 138 -9.468 9.549 5.050 1.00 0.00 H new ATOM 266 N ILE A 139 -8.068 10.707 1.365 1.00 0.00 N ATOM 267 CA ILE A 139 -8.241 10.708 -0.086 1.00 0.00 C ATOM 268 C ILE A 139 -9.593 11.411 -0.317 1.00 0.00 C ATOM 269 O ILE A 139 -10.416 11.477 0.602 1.00 0.00 O ATOM 270 CB ILE A 139 -8.168 9.238 -0.632 1.00 0.00 C ATOM 271 CG1 ILE A 139 -7.089 8.431 0.146 1.00 0.00 C ATOM 272 CG2 ILE A 139 -7.913 9.169 -2.159 1.00 0.00 C ATOM 273 CD1 ILE A 139 -6.619 7.113 -0.450 1.00 0.00 C ATOM 0 H ILE A 139 -8.936 10.488 1.855 1.00 0.00 H new ATOM 0 HA ILE A 139 -7.458 11.236 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 139 -9.147 8.788 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -6.216 9.072 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -7.478 8.227 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -7.873 8.126 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -8.721 9.677 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -6.966 9.655 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -5.868 6.666 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -7.467 6.434 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -6.185 7.293 -1.433 1.00 0.00 H new ATOM 285 N HIS A 140 -9.845 11.962 -1.507 1.00 0.00 N ATOM 286 CA HIS A 140 -11.151 12.361 -1.969 1.00 0.00 C ATOM 287 C HIS A 140 -11.180 12.196 -3.486 1.00 0.00 C ATOM 288 O HIS A 140 -10.705 13.034 -4.259 1.00 0.00 O ATOM 289 CB HIS A 140 -11.544 13.757 -1.493 1.00 0.00 C ATOM 290 CG HIS A 140 -10.785 14.963 -1.992 1.00 0.00 C ATOM 291 ND1 HIS A 140 -11.303 16.235 -2.104 1.00 0.00 N ATOM 292 CD2 HIS A 140 -9.489 15.000 -2.423 1.00 0.00 C ATOM 293 CE1 HIS A 140 -10.329 17.024 -2.582 1.00 0.00 C ATOM 294 NE2 HIS A 140 -9.203 16.318 -2.796 1.00 0.00 N ATOM 0 H HIS A 140 -9.110 12.144 -2.190 1.00 0.00 H new ATOM 0 HA HIS A 140 -11.914 11.719 -1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.593 13.904 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -11.479 13.760 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -8.808 14.163 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -10.434 18.082 -2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -8.318 16.673 -3.158 1.00 0.00 H new ATOM 302 N PHE A 141 -11.692 11.046 -3.893 1.00 0.00 N ATOM 303 CA PHE A 141 -11.838 10.569 -5.261 1.00 0.00 C ATOM 304 C PHE A 141 -12.616 11.523 -6.176 1.00 0.00 C ATOM 305 O PHE A 141 -12.530 11.432 -7.401 1.00 0.00 O ATOM 306 CB PHE A 141 -12.602 9.249 -5.210 1.00 0.00 C ATOM 307 CG PHE A 141 -11.912 8.098 -4.514 1.00 0.00 C ATOM 308 CD1 PHE A 141 -11.836 8.034 -3.110 1.00 0.00 C ATOM 309 CD2 PHE A 141 -11.366 7.065 -5.294 1.00 0.00 C ATOM 310 CE1 PHE A 141 -11.110 7.001 -2.493 1.00 0.00 C ATOM 311 CE2 PHE A 141 -10.663 6.016 -4.674 1.00 0.00 C ATOM 312 CZ PHE A 141 -10.507 6.002 -3.275 1.00 0.00 C ATOM 0 H PHE A 141 -12.046 10.365 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.835 10.476 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -13.556 9.426 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -12.826 8.945 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -12.335 8.778 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -11.486 7.076 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.016 6.975 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -10.243 5.221 -5.272 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.925 5.224 -2.804 1.00 0.00 H new ATOM 322 N GLY A 142 -13.442 12.380 -5.590 1.00 0.00 N ATOM 323 CA GLY A 142 -14.305 13.348 -6.226 1.00 0.00 C ATOM 324 C GLY A 142 -15.705 13.071 -5.721 1.00 0.00 C ATOM 325 O GLY A 142 -16.324 13.933 -5.100 1.00 0.00 O ATOM 0 H GLY A 142 -13.527 12.413 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -13.997 14.364 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -14.258 13.256 -7.311 1.00 0.00 H new ATOM 329 N ASN A 143 -16.200 11.850 -5.942 1.00 0.00 N ATOM 330 CA ASN A 143 -17.568 11.516 -5.593 1.00 0.00 C ATOM 331 C ASN A 143 -17.648 11.246 -4.102 1.00 0.00 C ATOM 332 O ASN A 143 -16.777 10.578 -3.539 1.00 0.00 O ATOM 333 CB ASN A 143 -18.098 10.277 -6.325 1.00 0.00 C ATOM 334 CG ASN A 143 -17.629 10.107 -7.757 1.00 0.00 C ATOM 335 OD1 ASN A 143 -16.395 9.665 -7.935 1.00 0.00 O flip ATOM 336 ND2 ASN A 143 -18.372 10.336 -8.710 1.00 0.00 N flip ATOM 0 H ASN A 143 -15.670 11.085 -6.360 1.00 0.00 H new ATOM 0 HA ASN A 143 -18.181 12.367 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -17.807 9.392 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -19.187 10.314 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -19.320 10.676 -8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -18.040 10.186 -9.663 1.00 0.00 H new ATOM 343 N ASP A 144 -18.740 11.672 -3.483 1.00 0.00 N ATOM 344 CA ASP A 144 -19.020 11.406 -2.077 1.00 0.00 C ATOM 345 C ASP A 144 -19.412 9.944 -1.839 1.00 0.00 C ATOM 346 O ASP A 144 -19.177 9.429 -0.753 1.00 0.00 O ATOM 347 CB ASP A 144 -20.142 12.332 -1.623 1.00 0.00 C ATOM 348 CG ASP A 144 -20.536 12.124 -0.163 1.00 0.00 C ATOM 349 OD1 ASP A 144 -19.687 12.325 0.734 1.00 0.00 O ATOM 350 OD2 ASP A 144 -21.733 11.836 0.072 1.00 0.00 O ATOM 0 H ASP A 144 -19.465 12.218 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 144 -18.115 11.592 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -19.831 13.367 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -21.015 12.172 -2.255 1.00 0.00 H new ATOM 355 N TRP A 145 -19.957 9.233 -2.835 1.00 0.00 N ATOM 356 CA TRP A 145 -20.234 7.801 -2.684 1.00 0.00 C ATOM 357 C TRP A 145 -18.932 7.005 -2.567 1.00 0.00 C ATOM 358 O TRP A 145 -18.877 6.051 -1.788 1.00 0.00 O ATOM 359 CB TRP A 145 -21.132 7.273 -3.812 1.00 0.00 C ATOM 360 CG TRP A 145 -20.576 7.340 -5.201 1.00 0.00 C ATOM 361 CD1 TRP A 145 -20.825 8.334 -6.080 1.00 0.00 C ATOM 362 CD2 TRP A 145 -19.720 6.382 -5.907 1.00 0.00 C ATOM 363 NE1 TRP A 145 -20.160 8.080 -7.262 1.00 0.00 N ATOM 364 CE2 TRP A 145 -19.435 6.913 -7.200 1.00 0.00 C ATOM 365 CE3 TRP A 145 -19.132 5.136 -5.590 1.00 0.00 C ATOM 366 CZ2 TRP A 145 -18.580 6.277 -8.110 1.00 0.00 C ATOM 367 CZ3 TRP A 145 -18.356 4.439 -6.537 1.00 0.00 C ATOM 368 CH2 TRP A 145 -18.069 5.011 -7.788 1.00 0.00 C ATOM 0 H TRP A 145 -20.212 9.621 -3.743 1.00 0.00 H new ATOM 0 HA TRP A 145 -20.789 7.664 -1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -21.377 6.234 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -22.067 7.832 -3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 145 -21.448 9.195 -5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 145 -20.201 8.685 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -19.280 4.712 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 -18.319 6.753 -9.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -17.978 3.456 -6.299 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -17.457 4.477 -8.500 1.00 0.00 H new ATOM 379 N GLU A 146 -17.890 7.397 -3.309 1.00 0.00 N ATOM 380 CA GLU A 146 -16.553 6.835 -3.160 1.00 0.00 C ATOM 381 C GLU A 146 -15.987 7.244 -1.808 1.00 0.00 C ATOM 382 O GLU A 146 -15.480 6.398 -1.086 1.00 0.00 O ATOM 383 CB GLU A 146 -15.604 7.281 -4.287 1.00 0.00 C ATOM 384 CG GLU A 146 -16.039 6.698 -5.629 1.00 0.00 C ATOM 385 CD GLU A 146 -14.972 6.772 -6.716 1.00 0.00 C ATOM 386 OE1 GLU A 146 -14.619 7.896 -7.121 1.00 0.00 O ATOM 387 OE2 GLU A 146 -14.529 5.715 -7.225 1.00 0.00 O ATOM 0 H GLU A 146 -17.956 8.115 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 146 -16.635 5.750 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -15.590 8.369 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -14.587 6.961 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -16.324 5.656 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -16.928 7.227 -5.971 1.00 0.00 H new ATOM 394 N ASP A 147 -16.094 8.523 -1.450 1.00 0.00 N ATOM 395 CA ASP A 147 -15.556 9.065 -0.202 1.00 0.00 C ATOM 396 C ASP A 147 -16.118 8.329 1.016 1.00 0.00 C ATOM 397 O ASP A 147 -15.377 7.864 1.880 1.00 0.00 O ATOM 398 CB ASP A 147 -15.869 10.561 -0.117 1.00 0.00 C ATOM 399 CG ASP A 147 -14.902 11.378 0.737 1.00 0.00 C ATOM 400 OD1 ASP A 147 -13.889 10.858 1.255 1.00 0.00 O ATOM 401 OD2 ASP A 147 -15.174 12.599 0.827 1.00 0.00 O ATOM 0 H ASP A 147 -16.563 9.222 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 147 -14.476 8.920 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -15.875 10.973 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -16.875 10.684 0.283 1.00 0.00 H new ATOM 406 N ARG A 148 -17.440 8.147 1.043 1.00 0.00 N ATOM 407 CA ARG A 148 -18.158 7.328 2.004 1.00 0.00 C ATOM 408 C ARG A 148 -17.601 5.914 1.989 1.00 0.00 C ATOM 409 O ARG A 148 -17.211 5.433 3.045 1.00 0.00 O ATOM 410 CB ARG A 148 -19.658 7.353 1.656 1.00 0.00 C ATOM 411 CG ARG A 148 -20.497 6.367 2.486 1.00 0.00 C ATOM 412 CD ARG A 148 -21.858 6.118 1.839 1.00 0.00 C ATOM 413 NE ARG A 148 -22.795 7.236 2.011 1.00 0.00 N ATOM 414 CZ ARG A 148 -24.071 7.216 1.624 1.00 0.00 C ATOM 415 NH1 ARG A 148 -24.523 6.240 0.841 1.00 0.00 N ATOM 416 NH2 ARG A 148 -24.892 8.188 1.996 1.00 0.00 N ATOM 0 H ARG A 148 -18.060 8.588 0.364 1.00 0.00 H new ATOM 0 HA ARG A 148 -18.031 7.722 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -20.041 8.362 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -19.781 7.122 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -19.961 5.423 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -20.637 6.762 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -21.718 5.931 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -22.296 5.216 2.266 1.00 0.00 H new ATOM 0 HE ARG A 148 -22.446 8.085 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -23.892 5.500 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -25.500 6.232 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -24.548 8.951 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -25.868 8.173 1.700 1.00 0.00 H new ATOM 430 N TYR A 149 -17.631 5.215 0.852 1.00 0.00 N ATOM 431 CA TYR A 149 -17.258 3.802 0.817 1.00 0.00 C ATOM 432 C TYR A 149 -15.801 3.596 1.242 1.00 0.00 C ATOM 433 O TYR A 149 -15.496 2.600 1.901 1.00 0.00 O ATOM 434 CB TYR A 149 -17.520 3.214 -0.574 1.00 0.00 C ATOM 435 CG TYR A 149 -17.234 1.727 -0.665 1.00 0.00 C ATOM 436 CD1 TYR A 149 -18.209 0.790 -0.277 1.00 0.00 C ATOM 437 CD2 TYR A 149 -15.967 1.281 -1.080 1.00 0.00 C ATOM 438 CE1 TYR A 149 -17.905 -0.582 -0.283 1.00 0.00 C ATOM 439 CE2 TYR A 149 -15.651 -0.085 -1.083 1.00 0.00 C ATOM 440 CZ TYR A 149 -16.616 -1.023 -0.657 1.00 0.00 C ATOM 441 OH TYR A 149 -16.334 -2.347 -0.652 1.00 0.00 O ATOM 0 H TYR A 149 -17.908 5.602 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 149 -17.881 3.270 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -18.560 3.393 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -16.905 3.740 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -19.190 1.125 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -15.228 2.000 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -18.659 -1.302 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -14.676 -0.417 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 149 -15.579 -2.518 -0.051 1.00 0.00 H new ATOM 451 N TYR A 150 -14.925 4.550 0.910 1.00 0.00 N ATOM 452 CA TYR A 150 -13.578 4.624 1.438 1.00 0.00 C ATOM 453 C TYR A 150 -13.668 4.691 2.953 1.00 0.00 C ATOM 454 O TYR A 150 -13.238 3.758 3.607 1.00 0.00 O ATOM 455 CB TYR A 150 -12.799 5.815 0.859 1.00 0.00 C ATOM 456 CG TYR A 150 -11.375 5.902 1.378 1.00 0.00 C ATOM 457 CD1 TYR A 150 -10.406 4.995 0.911 1.00 0.00 C ATOM 458 CD2 TYR A 150 -11.017 6.871 2.337 1.00 0.00 C ATOM 459 CE1 TYR A 150 -9.092 5.041 1.406 1.00 0.00 C ATOM 460 CE2 TYR A 150 -9.697 6.947 2.812 1.00 0.00 C ATOM 461 CZ TYR A 150 -8.735 6.016 2.364 1.00 0.00 C ATOM 462 OH TYR A 150 -7.463 6.055 2.838 1.00 0.00 O ATOM 0 H TYR A 150 -15.145 5.300 0.255 1.00 0.00 H new ATOM 0 HA TYR A 150 -13.020 3.735 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -12.779 5.735 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -13.325 6.738 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -10.674 4.259 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -11.762 7.559 2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -8.356 4.333 1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -9.419 7.716 3.518 1.00 0.00 H new ATOM 0 HH TYR A 150 -7.383 6.773 3.501 1.00 0.00 H new ATOM 472 N ARG A 151 -14.249 5.742 3.528 1.00 0.00 N ATOM 473 CA ARG A 151 -14.294 5.958 4.973 1.00 0.00 C ATOM 474 C ARG A 151 -14.978 4.813 5.724 1.00 0.00 C ATOM 475 O ARG A 151 -14.617 4.556 6.873 1.00 0.00 O ATOM 476 CB ARG A 151 -14.990 7.299 5.229 1.00 0.00 C ATOM 477 CG ARG A 151 -14.118 8.481 4.762 1.00 0.00 C ATOM 478 CD ARG A 151 -14.957 9.754 4.687 1.00 0.00 C ATOM 479 NE ARG A 151 -15.247 10.287 6.022 1.00 0.00 N ATOM 480 CZ ARG A 151 -14.514 11.183 6.693 1.00 0.00 C ATOM 481 NH1 ARG A 151 -13.426 11.727 6.156 1.00 0.00 N ATOM 482 NH2 ARG A 151 -14.868 11.514 7.930 1.00 0.00 N ATOM 0 H ARG A 151 -14.709 6.479 2.994 1.00 0.00 H new ATOM 0 HA ARG A 151 -13.275 5.982 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -15.946 7.321 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -15.206 7.402 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -13.286 8.624 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -13.687 8.262 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -14.428 10.506 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -15.892 9.545 4.167 1.00 0.00 H new ATOM 0 HE ARG A 151 -16.088 9.941 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -13.135 11.463 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -12.882 12.408 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -15.690 11.086 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.318 12.196 8.453 1.00 0.00 H new ATOM 496 N GLU A 152 -15.935 4.123 5.113 1.00 0.00 N ATOM 497 CA GLU A 152 -16.608 2.951 5.657 1.00 0.00 C ATOM 498 C GLU A 152 -15.653 1.771 5.783 1.00 0.00 C ATOM 499 O GLU A 152 -15.705 1.087 6.802 1.00 0.00 O ATOM 500 CB GLU A 152 -17.821 2.588 4.787 1.00 0.00 C ATOM 501 CG GLU A 152 -19.000 3.557 4.976 1.00 0.00 C ATOM 502 CD GLU A 152 -20.020 3.073 6.012 1.00 0.00 C ATOM 503 OE1 GLU A 152 -19.805 3.325 7.223 1.00 0.00 O ATOM 504 OE2 GLU A 152 -21.057 2.496 5.612 1.00 0.00 O ATOM 0 H GLU A 152 -16.277 4.377 4.186 1.00 0.00 H new ATOM 0 HA GLU A 152 -16.958 3.193 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -17.523 2.586 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -18.146 1.576 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -18.616 4.531 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -19.503 3.698 4.019 1.00 0.00 H new ATOM 511 N ASN A 153 -14.771 1.538 4.803 1.00 0.00 N ATOM 512 CA ASN A 153 -14.002 0.292 4.683 1.00 0.00 C ATOM 513 C ASN A 153 -12.485 0.517 4.674 1.00 0.00 C ATOM 514 O ASN A 153 -11.707 -0.414 4.501 1.00 0.00 O ATOM 515 CB ASN A 153 -14.481 -0.497 3.458 1.00 0.00 C ATOM 516 CG ASN A 153 -15.959 -0.838 3.579 1.00 0.00 C ATOM 517 OD1 ASN A 153 -16.375 -1.543 4.499 1.00 0.00 O ATOM 518 ND2 ASN A 153 -16.788 -0.294 2.704 1.00 0.00 N ATOM 0 H ASN A 153 -14.569 2.213 4.066 1.00 0.00 H new ATOM 0 HA ASN A 153 -14.192 -0.302 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -14.311 0.088 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -13.899 -1.413 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -17.792 -0.455 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -16.423 0.287 1.949 1.00 0.00 H new ATOM 525 N MET A 154 -12.059 1.748 4.914 1.00 0.00 N ATOM 526 CA MET A 154 -10.720 2.267 5.095 1.00 0.00 C ATOM 527 C MET A 154 -9.829 1.385 5.972 1.00 0.00 C ATOM 528 O MET A 154 -8.843 0.829 5.493 1.00 0.00 O ATOM 529 CB MET A 154 -10.915 3.746 5.484 1.00 0.00 C ATOM 530 CG MET A 154 -9.990 4.327 6.532 1.00 0.00 C ATOM 531 SD MET A 154 -9.097 5.796 5.984 1.00 0.00 S ATOM 532 CE MET A 154 -10.390 7.029 6.280 1.00 0.00 C ATOM 0 H MET A 154 -12.740 2.503 4.996 1.00 0.00 H new ATOM 0 HA MET A 154 -10.114 2.236 4.190 1.00 0.00 H new ATOM 0 HB2 MET A 154 -10.816 4.346 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.939 3.868 5.837 1.00 0.00 H new ATOM 0 HG2 MET A 154 -10.573 4.577 7.418 1.00 0.00 H new ATOM 0 HG3 MET A 154 -9.269 3.565 6.829 1.00 0.00 H new ATOM 0 HE1 MET A 154 -10.901 7.253 5.343 1.00 0.00 H new ATOM 0 HE2 MET A 154 -11.108 6.637 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 154 -9.940 7.940 6.675 1.00 0.00 H new ATOM 542 N TYR A 155 -10.174 1.232 7.245 1.00 0.00 N ATOM 543 CA TYR A 155 -9.456 0.426 8.223 1.00 0.00 C ATOM 544 C TYR A 155 -9.427 -1.067 7.884 1.00 0.00 C ATOM 545 O TYR A 155 -8.797 -1.835 8.614 1.00 0.00 O ATOM 546 CB TYR A 155 -10.067 0.626 9.616 1.00 0.00 C ATOM 547 CG TYR A 155 -11.464 0.062 9.857 1.00 0.00 C ATOM 548 CD1 TYR A 155 -12.532 0.325 8.975 1.00 0.00 C ATOM 549 CD2 TYR A 155 -11.716 -0.668 11.033 1.00 0.00 C ATOM 550 CE1 TYR A 155 -13.840 -0.097 9.288 1.00 0.00 C ATOM 551 CE2 TYR A 155 -13.020 -1.082 11.356 1.00 0.00 C ATOM 552 CZ TYR A 155 -14.094 -0.791 10.491 1.00 0.00 C ATOM 553 OH TYR A 155 -15.358 -1.151 10.857 1.00 0.00 O ATOM 0 H TYR A 155 -10.997 1.686 7.640 1.00 0.00 H new ATOM 0 HA TYR A 155 -8.422 0.771 8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -9.393 0.180 10.347 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -10.096 1.696 9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -12.346 0.854 8.052 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -10.899 -0.913 11.695 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -14.651 0.111 8.605 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -13.200 -1.626 12.272 1.00 0.00 H new ATOM 0 HH TYR A 155 -15.328 -1.621 11.716 1.00 0.00 H new ATOM 563 N ARG A 156 -10.121 -1.514 6.828 1.00 0.00 N ATOM 564 CA ARG A 156 -10.015 -2.897 6.397 1.00 0.00 C ATOM 565 C ARG A 156 -8.750 -3.121 5.573 1.00 0.00 C ATOM 566 O ARG A 156 -8.309 -4.261 5.447 1.00 0.00 O ATOM 567 CB ARG A 156 -11.201 -3.327 5.533 1.00 0.00 C ATOM 568 CG ARG A 156 -12.569 -3.074 6.180 1.00 0.00 C ATOM 569 CD ARG A 156 -13.621 -3.909 5.448 1.00 0.00 C ATOM 570 NE ARG A 156 -13.521 -5.307 5.875 1.00 0.00 N ATOM 571 CZ ARG A 156 -14.000 -5.794 7.021 1.00 0.00 C ATOM 572 NH1 ARG A 156 -14.800 -5.059 7.793 1.00 0.00 N ATOM 573 NH2 ARG A 156 -13.628 -7.003 7.406 1.00 0.00 N ATOM 0 H ARG A 156 -10.752 -0.939 6.269 1.00 0.00 H new ATOM 0 HA ARG A 156 -9.993 -3.490 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -11.156 -2.796 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -11.108 -4.390 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -12.542 -3.342 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -12.822 -2.015 6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -14.618 -3.524 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -13.473 -3.836 4.371 1.00 0.00 H new ATOM 0 HE ARG A 156 -13.049 -5.958 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -15.053 -4.112 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -15.159 -5.443 8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -12.985 -7.546 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -13.984 -7.392 8.279 1.00 0.00 H new ATOM 587 N TYR A 157 -8.240 -2.081 4.910 1.00 0.00 N ATOM 588 CA TYR A 157 -7.163 -2.185 3.938 1.00 0.00 C ATOM 589 C TYR A 157 -5.819 -2.481 4.638 1.00 0.00 C ATOM 590 O TYR A 157 -5.774 -2.559 5.870 1.00 0.00 O ATOM 591 CB TYR A 157 -7.140 -0.891 3.110 1.00 0.00 C ATOM 592 CG TYR A 157 -8.417 -0.511 2.373 1.00 0.00 C ATOM 593 CD1 TYR A 157 -9.136 -1.461 1.621 1.00 0.00 C ATOM 594 CD2 TYR A 157 -8.856 0.827 2.389 1.00 0.00 C ATOM 595 CE1 TYR A 157 -10.316 -1.088 0.955 1.00 0.00 C ATOM 596 CE2 TYR A 157 -10.039 1.206 1.730 1.00 0.00 C ATOM 597 CZ TYR A 157 -10.795 0.237 1.035 1.00 0.00 C ATOM 598 OH TYR A 157 -11.977 0.560 0.441 1.00 0.00 O ATOM 0 H TYR A 157 -8.575 -1.126 5.040 1.00 0.00 H new ATOM 0 HA TYR A 157 -7.331 -3.023 3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -6.878 -0.069 3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -6.339 -0.975 2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -8.779 -2.478 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -8.277 1.572 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -10.860 -1.821 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -10.368 2.234 1.755 1.00 0.00 H new ATOM 0 HH TYR A 157 -12.168 1.510 0.587 1.00 0.00 H new ATOM 608 N PRO A 158 -4.718 -2.717 3.892 1.00 0.00 N ATOM 609 CA PRO A 158 -3.419 -2.957 4.499 1.00 0.00 C ATOM 610 C PRO A 158 -2.928 -1.775 5.332 1.00 0.00 C ATOM 611 O PRO A 158 -3.359 -0.633 5.147 1.00 0.00 O ATOM 612 CB PRO A 158 -2.433 -3.239 3.358 1.00 0.00 C ATOM 613 CG PRO A 158 -3.321 -3.599 2.175 1.00 0.00 C ATOM 614 CD PRO A 158 -4.611 -2.837 2.449 1.00 0.00 C ATOM 0 HA PRO A 158 -3.498 -3.800 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -1.815 -2.367 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -1.756 -4.055 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.871 -3.297 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -3.495 -4.673 2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -4.589 -1.854 1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -5.470 -3.368 2.039 1.00 0.00 H new ATOM 622 N ASN A 159 -1.909 -2.052 6.143 1.00 0.00 N ATOM 623 CA ASN A 159 -1.128 -1.058 6.868 1.00 0.00 C ATOM 624 C ASN A 159 0.318 -1.108 6.398 1.00 0.00 C ATOM 625 O ASN A 159 0.982 -0.076 6.339 1.00 0.00 O ATOM 626 CB ASN A 159 -1.124 -1.340 8.375 1.00 0.00 C ATOM 627 CG ASN A 159 -2.402 -0.962 9.108 1.00 0.00 C ATOM 628 OD1 ASN A 159 -3.505 -1.375 8.777 1.00 0.00 O ATOM 629 ND2 ASN A 159 -2.281 -0.147 10.139 1.00 0.00 N ATOM 0 H ASN A 159 -1.596 -3.007 6.318 1.00 0.00 H new ATOM 0 HA ASN A 159 -1.580 -0.085 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -0.937 -2.403 8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -0.292 -0.801 8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -3.108 0.140 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -1.360 0.196 10.413 1.00 0.00 H new ATOM 636 N GLN A 160 0.848 -2.306 6.148 1.00 0.00 N ATOM 637 CA GLN A 160 2.231 -2.475 5.728 1.00 0.00 C ATOM 638 C GLN A 160 2.315 -2.377 4.195 1.00 0.00 C ATOM 639 O GLN A 160 1.310 -2.118 3.532 1.00 0.00 O ATOM 640 CB GLN A 160 2.767 -3.825 6.219 1.00 0.00 C ATOM 641 CG GLN A 160 2.487 -4.245 7.666 1.00 0.00 C ATOM 642 CD GLN A 160 3.182 -5.581 7.941 1.00 0.00 C ATOM 643 OE1 GLN A 160 3.013 -6.557 7.215 1.00 0.00 O ATOM 644 NE2 GLN A 160 4.042 -5.643 8.934 1.00 0.00 N ATOM 0 H GLN A 160 0.329 -3.180 6.232 1.00 0.00 H new ATOM 0 HA GLN A 160 2.845 -1.687 6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 160 2.363 -4.599 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 160 3.848 -3.822 6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 160 2.850 -3.483 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 160 1.413 -4.338 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.183 -4.833 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.568 -6.501 9.100 1.00 0.00 H new ATOM 653 N VAL A 161 3.524 -2.537 3.647 1.00 0.00 N ATOM 654 CA VAL A 161 3.920 -2.201 2.280 1.00 0.00 C ATOM 655 C VAL A 161 5.226 -2.938 1.932 1.00 0.00 C ATOM 656 O VAL A 161 6.245 -2.718 2.596 1.00 0.00 O ATOM 657 CB VAL A 161 4.155 -0.681 2.168 1.00 0.00 C ATOM 658 CG1 VAL A 161 2.876 0.115 1.832 1.00 0.00 C ATOM 659 CG2 VAL A 161 4.828 -0.139 3.453 1.00 0.00 C ATOM 0 H VAL A 161 4.299 -2.929 4.182 1.00 0.00 H new ATOM 0 HA VAL A 161 3.130 -2.501 1.592 1.00 0.00 H new ATOM 0 HB VAL A 161 4.829 -0.533 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 161 3.114 1.177 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 161 2.476 -0.225 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.133 -0.044 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 161 4.986 0.935 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 161 4.185 -0.335 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 161 5.788 -0.635 3.598 1.00 0.00 H new ATOM 669 N TYR A 162 5.228 -3.835 0.948 1.00 0.00 N ATOM 670 CA TYR A 162 6.469 -4.448 0.474 1.00 0.00 C ATOM 671 C TYR A 162 7.113 -3.601 -0.605 1.00 0.00 C ATOM 672 O TYR A 162 6.392 -3.075 -1.442 1.00 0.00 O ATOM 673 CB TYR A 162 6.223 -5.812 -0.147 1.00 0.00 C ATOM 674 CG TYR A 162 5.836 -6.893 0.825 1.00 0.00 C ATOM 675 CD1 TYR A 162 4.511 -6.979 1.279 1.00 0.00 C ATOM 676 CD2 TYR A 162 6.806 -7.803 1.282 1.00 0.00 C ATOM 677 CE1 TYR A 162 4.143 -8.004 2.157 1.00 0.00 C ATOM 678 CE2 TYR A 162 6.449 -8.814 2.187 1.00 0.00 C ATOM 679 CZ TYR A 162 5.101 -8.944 2.589 1.00 0.00 C ATOM 680 OH TYR A 162 4.718 -9.995 3.361 1.00 0.00 O ATOM 0 H TYR A 162 4.388 -4.153 0.464 1.00 0.00 H new ATOM 0 HA TYR A 162 7.112 -4.536 1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 162 5.435 -5.717 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 162 7.126 -6.123 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 162 3.778 -6.256 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 162 7.826 -7.724 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 162 3.123 -8.075 2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 162 7.199 -9.488 2.573 1.00 0.00 H new ATOM 0 HH TYR A 162 3.913 -10.404 2.981 1.00 0.00 H new ATOM 690 N TYR A 163 8.441 -3.567 -0.695 1.00 0.00 N ATOM 691 CA TYR A 163 9.111 -2.812 -1.747 1.00 0.00 C ATOM 692 C TYR A 163 10.414 -3.510 -2.102 1.00 0.00 C ATOM 693 O TYR A 163 11.010 -4.163 -1.250 1.00 0.00 O ATOM 694 CB TYR A 163 9.346 -1.374 -1.263 1.00 0.00 C ATOM 695 CG TYR A 163 10.029 -1.269 0.093 1.00 0.00 C ATOM 696 CD1 TYR A 163 9.265 -1.284 1.281 1.00 0.00 C ATOM 697 CD2 TYR A 163 11.436 -1.197 0.166 1.00 0.00 C ATOM 698 CE1 TYR A 163 9.918 -1.318 2.524 1.00 0.00 C ATOM 699 CE2 TYR A 163 12.090 -1.209 1.411 1.00 0.00 C ATOM 700 CZ TYR A 163 11.327 -1.309 2.596 1.00 0.00 C ATOM 701 OH TYR A 163 11.934 -1.456 3.807 1.00 0.00 O ATOM 0 H TYR A 163 9.070 -4.051 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 163 8.495 -2.767 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 163 9.951 -0.849 -2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 163 8.386 -0.859 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 163 8.186 -1.269 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 163 12.016 -1.132 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 163 9.336 -1.351 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 163 13.167 -1.142 1.461 1.00 0.00 H new ATOM 0 HH TYR A 163 12.907 -1.430 3.691 1.00 0.00 H new ATOM 711 N ARG A 164 10.895 -3.391 -3.340 1.00 0.00 N ATOM 712 CA ARG A 164 12.289 -3.742 -3.611 1.00 0.00 C ATOM 713 C ARG A 164 13.157 -2.595 -3.118 1.00 0.00 C ATOM 714 O ARG A 164 12.792 -1.439 -3.360 1.00 0.00 O ATOM 715 CB ARG A 164 12.550 -4.013 -5.089 1.00 0.00 C ATOM 716 CG ARG A 164 11.949 -5.368 -5.494 1.00 0.00 C ATOM 717 CD ARG A 164 12.966 -6.276 -6.185 1.00 0.00 C ATOM 718 NE ARG A 164 14.085 -6.625 -5.287 1.00 0.00 N ATOM 719 CZ ARG A 164 15.298 -7.018 -5.682 1.00 0.00 C ATOM 720 NH1 ARG A 164 15.565 -7.205 -6.967 1.00 0.00 N ATOM 721 NH2 ARG A 164 16.248 -7.246 -4.782 1.00 0.00 N ATOM 0 H ARG A 164 10.361 -3.066 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 164 12.528 -4.669 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 164 12.114 -3.218 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 164 13.623 -4.010 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.562 -5.870 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.103 -5.202 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.471 -7.187 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.354 -5.778 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 164 13.917 -6.561 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.840 -7.048 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 164 16.496 -7.505 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 164 16.051 -7.121 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 164 17.175 -7.546 -5.084 1.00 0.00 H new ATOM 735 N PRO A 165 14.273 -2.896 -2.443 1.00 0.00 N ATOM 736 CA PRO A 165 15.053 -1.875 -1.781 1.00 0.00 C ATOM 737 C PRO A 165 15.751 -0.978 -2.801 1.00 0.00 C ATOM 738 O PRO A 165 16.014 -1.394 -3.936 1.00 0.00 O ATOM 739 CB PRO A 165 16.018 -2.632 -0.865 1.00 0.00 C ATOM 740 CG PRO A 165 16.179 -3.992 -1.538 1.00 0.00 C ATOM 741 CD PRO A 165 14.841 -4.218 -2.237 1.00 0.00 C ATOM 0 HA PRO A 165 14.442 -1.191 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 165 16.973 -2.115 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 165 15.616 -2.731 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 165 17.005 -3.990 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 165 16.386 -4.776 -0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 165 14.978 -4.737 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 165 14.181 -4.836 -1.628 1.00 0.00 H new ATOM 749 N VAL A 166 16.042 0.262 -2.411 1.00 0.00 N ATOM 750 CA VAL A 166 16.555 1.287 -3.298 1.00 0.00 C ATOM 751 C VAL A 166 18.025 1.054 -3.618 1.00 0.00 C ATOM 752 O VAL A 166 18.906 1.593 -2.944 1.00 0.00 O ATOM 753 CB VAL A 166 16.281 2.700 -2.743 1.00 0.00 C ATOM 754 CG1 VAL A 166 14.930 3.170 -3.269 1.00 0.00 C ATOM 755 CG2 VAL A 166 16.293 2.865 -1.220 1.00 0.00 C ATOM 0 H VAL A 166 15.923 0.581 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 166 16.016 1.218 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 166 17.122 3.300 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 166 14.718 4.169 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 166 14.953 3.196 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 166 14.152 2.482 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 166 16.087 3.905 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 166 15.529 2.225 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 166 17.272 2.583 -0.831 1.00 0.00 H new ATOM 765 N ASP A 167 18.282 0.282 -4.675 1.00 0.00 N ATOM 766 CA ASP A 167 19.594 0.249 -5.312 1.00 0.00 C ATOM 767 C ASP A 167 19.510 0.021 -6.814 1.00 0.00 C ATOM 768 O ASP A 167 20.320 0.611 -7.524 1.00 0.00 O ATOM 769 CB ASP A 167 20.518 -0.817 -4.701 1.00 0.00 C ATOM 770 CG ASP A 167 21.129 -0.401 -3.366 1.00 0.00 C ATOM 771 OD1 ASP A 167 21.961 0.530 -3.314 1.00 0.00 O ATOM 772 OD2 ASP A 167 20.812 -1.059 -2.345 1.00 0.00 O ATOM 0 H ASP A 167 17.592 -0.332 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 167 20.019 1.236 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 167 19.953 -1.739 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 167 21.320 -1.038 -5.405 1.00 0.00 H new ATOM 777 N GLN A 168 18.595 -0.817 -7.321 1.00 0.00 N ATOM 778 CA GLN A 168 18.540 -1.223 -8.729 1.00 0.00 C ATOM 779 C GLN A 168 17.166 -0.977 -9.379 1.00 0.00 C ATOM 780 O GLN A 168 16.908 -1.516 -10.454 1.00 0.00 O ATOM 781 CB GLN A 168 18.919 -2.712 -8.837 1.00 0.00 C ATOM 782 CG GLN A 168 20.292 -3.121 -8.280 1.00 0.00 C ATOM 783 CD GLN A 168 21.483 -2.564 -9.064 1.00 0.00 C ATOM 784 OE1 GLN A 168 22.160 -3.279 -9.803 1.00 0.00 O ATOM 785 NE2 GLN A 168 21.810 -1.301 -8.880 1.00 0.00 N ATOM 0 H GLN A 168 17.860 -1.238 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 168 19.251 -0.604 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 168 18.156 -3.295 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 168 18.881 -2.997 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 168 20.365 -2.787 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 168 20.357 -4.209 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 168 21.246 -0.712 -8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 168 22.627 -0.912 -9.351 1.00 0.00 H new ATOM 794 N ALA A 169 16.275 -0.195 -8.759 1.00 0.00 N ATOM 795 CA ALA A 169 14.990 0.169 -9.356 1.00 0.00 C ATOM 796 C ALA A 169 14.589 1.610 -9.023 1.00 0.00 C ATOM 797 O ALA A 169 14.152 2.331 -9.917 1.00 0.00 O ATOM 798 CB ALA A 169 13.914 -0.837 -8.924 1.00 0.00 C ATOM 0 H ALA A 169 16.426 0.201 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 169 15.091 0.126 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 169 12.959 -0.562 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 169 14.196 -1.836 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 169 13.823 -0.828 -7.838 1.00 0.00 H new ATOM 804 N SER A 170 14.655 1.993 -7.743 1.00 0.00 N ATOM 805 CA SER A 170 14.528 3.338 -7.167 1.00 0.00 C ATOM 806 C SER A 170 13.740 4.358 -8.018 1.00 0.00 C ATOM 807 O SER A 170 14.357 5.143 -8.740 1.00 0.00 O ATOM 808 CB SER A 170 15.915 3.851 -6.720 1.00 0.00 C ATOM 809 OG SER A 170 16.744 4.315 -7.772 1.00 0.00 O ATOM 0 H SER A 170 14.815 1.300 -7.011 1.00 0.00 H new ATOM 0 HA SER A 170 13.891 3.235 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 170 15.774 4.660 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 170 16.432 3.048 -6.196 1.00 0.00 H new ATOM 0 HG SER A 170 16.193 4.753 -8.454 1.00 0.00 H new ATOM 815 N ASN A 171 12.404 4.358 -7.988 1.00 0.00 N ATOM 816 CA ASN A 171 11.624 5.269 -8.831 1.00 0.00 C ATOM 817 C ASN A 171 10.201 5.394 -8.304 1.00 0.00 C ATOM 818 O ASN A 171 9.659 4.415 -7.799 1.00 0.00 O ATOM 819 CB ASN A 171 11.582 4.680 -10.238 1.00 0.00 C ATOM 820 CG ASN A 171 10.832 5.515 -11.245 1.00 0.00 C ATOM 821 OD1 ASN A 171 10.681 6.720 -11.104 1.00 0.00 O ATOM 822 ND2 ASN A 171 10.289 4.879 -12.260 1.00 0.00 N ATOM 0 H ASN A 171 11.845 3.744 -7.396 1.00 0.00 H new ATOM 0 HA ASN A 171 12.083 6.257 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 171 12.604 4.541 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 171 11.124 3.692 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 171 9.732 5.391 -12.944 1.00 0.00 H new ATOM 0 HD22 ASN A 171 10.425 3.873 -12.363 1.00 0.00 H new ATOM 829 N GLN A 172 9.546 6.537 -8.490 1.00 0.00 N ATOM 830 CA GLN A 172 8.262 6.838 -7.855 1.00 0.00 C ATOM 831 C GLN A 172 7.108 6.161 -8.597 1.00 0.00 C ATOM 832 O GLN A 172 6.040 5.973 -8.021 1.00 0.00 O ATOM 833 CB GLN A 172 8.054 8.360 -7.695 1.00 0.00 C ATOM 834 CG GLN A 172 6.706 8.695 -7.026 1.00 0.00 C ATOM 835 CD GLN A 172 6.620 10.128 -6.500 1.00 0.00 C ATOM 836 OE1 GLN A 172 6.579 11.085 -7.269 1.00 0.00 O ATOM 837 NE2 GLN A 172 6.518 10.303 -5.194 1.00 0.00 N ATOM 0 H GLN A 172 9.892 7.287 -9.089 1.00 0.00 H new ATOM 0 HA GLN A 172 8.277 6.421 -6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 172 8.867 8.776 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 172 8.100 8.837 -8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 172 5.903 8.533 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 172 6.539 8.004 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 172 6.554 9.499 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 172 6.404 11.242 -4.813 1.00 0.00 H new ATOM 846 N ASN A 173 7.302 5.744 -9.847 1.00 0.00 N ATOM 847 CA ASN A 173 6.410 4.814 -10.490 1.00 0.00 C ATOM 848 C ASN A 173 6.770 3.442 -9.952 1.00 0.00 C ATOM 849 O ASN A 173 5.994 2.858 -9.208 1.00 0.00 O ATOM 850 CB ASN A 173 6.584 4.851 -12.004 1.00 0.00 C ATOM 851 CG ASN A 173 5.534 5.706 -12.707 1.00 0.00 C ATOM 852 OD1 ASN A 173 4.521 5.212 -13.200 1.00 0.00 O ATOM 853 ND2 ASN A 173 5.796 6.989 -12.867 1.00 0.00 N ATOM 0 H ASN A 173 8.082 6.047 -10.430 1.00 0.00 H new ATOM 0 HA ASN A 173 5.369 5.065 -10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 173 7.576 5.237 -12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 173 6.536 3.834 -12.394 1.00 0.00 H new ATOM 0 HD21 ASN A 173 5.157 7.577 -13.402 1.00 0.00 H new ATOM 0 HD22 ASN A 173 6.638 7.393 -12.456 1.00 0.00 H new ATOM 860 N ASN A 174 7.948 2.906 -10.306 1.00 0.00 N ATOM 861 CA ASN A 174 8.092 1.456 -10.285 1.00 0.00 C ATOM 862 C ASN A 174 8.277 0.866 -8.902 1.00 0.00 C ATOM 863 O ASN A 174 7.877 -0.271 -8.662 1.00 0.00 O ATOM 864 CB ASN A 174 9.177 0.991 -11.245 1.00 0.00 C ATOM 865 CG ASN A 174 10.626 1.351 -10.999 1.00 0.00 C ATOM 866 OD1 ASN A 174 11.205 1.175 -9.828 1.00 0.00 O flip ATOM 867 ND2 ASN A 174 11.276 1.810 -11.927 1.00 0.00 N flip ATOM 0 H ASN A 174 8.774 3.430 -10.596 1.00 0.00 H new ATOM 0 HA ASN A 174 7.135 1.066 -10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 174 9.119 -0.096 -11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 174 8.915 1.368 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 174 10.837 1.950 -12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.257 2.053 -11.791 1.00 0.00 H new ATOM 874 N PHE A 175 8.850 1.637 -7.983 1.00 0.00 N ATOM 875 CA PHE A 175 8.919 1.227 -6.577 1.00 0.00 C ATOM 876 C PHE A 175 7.493 1.043 -6.060 1.00 0.00 C ATOM 877 O PHE A 175 7.166 0.038 -5.427 1.00 0.00 O ATOM 878 CB PHE A 175 9.695 2.260 -5.735 1.00 0.00 C ATOM 879 CG PHE A 175 9.904 1.959 -4.257 1.00 0.00 C ATOM 880 CD1 PHE A 175 8.841 2.114 -3.344 1.00 0.00 C ATOM 881 CD2 PHE A 175 11.191 1.654 -3.768 1.00 0.00 C ATOM 882 CE1 PHE A 175 9.066 1.995 -1.962 1.00 0.00 C ATOM 883 CE2 PHE A 175 11.414 1.526 -2.385 1.00 0.00 C ATOM 884 CZ PHE A 175 10.357 1.719 -1.482 1.00 0.00 C ATOM 0 H PHE A 175 9.272 2.544 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 175 9.461 0.285 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 175 10.676 2.395 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 175 9.174 3.214 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.847 2.326 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 175 12.010 1.518 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 175 8.246 2.116 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 175 12.399 1.279 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 175 10.536 1.655 -0.419 1.00 0.00 H new ATOM 894 N VAL A 176 6.660 2.044 -6.329 1.00 0.00 N ATOM 895 CA VAL A 176 5.325 2.204 -5.794 1.00 0.00 C ATOM 896 C VAL A 176 4.356 1.237 -6.491 1.00 0.00 C ATOM 897 O VAL A 176 3.571 0.603 -5.805 1.00 0.00 O ATOM 898 CB VAL A 176 4.938 3.692 -5.935 1.00 0.00 C ATOM 899 CG1 VAL A 176 3.576 3.992 -5.311 1.00 0.00 C ATOM 900 CG2 VAL A 176 5.964 4.605 -5.225 1.00 0.00 C ATOM 0 H VAL A 176 6.919 2.802 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 176 5.277 1.945 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 176 4.912 3.890 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 176 3.345 5.050 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 176 2.810 3.394 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 176 3.600 3.747 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 176 5.665 5.647 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 176 6.002 4.354 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 176 6.949 4.458 -5.668 1.00 0.00 H new ATOM 910 N HIS A 177 4.433 1.056 -7.811 1.00 0.00 N ATOM 911 CA HIS A 177 3.593 0.162 -8.606 1.00 0.00 C ATOM 912 C HIS A 177 3.732 -1.263 -8.077 1.00 0.00 C ATOM 913 O HIS A 177 2.753 -1.905 -7.711 1.00 0.00 O ATOM 914 CB HIS A 177 4.015 0.268 -10.087 1.00 0.00 C ATOM 915 CG HIS A 177 3.465 -0.780 -11.033 1.00 0.00 C ATOM 916 ND1 HIS A 177 3.947 -1.050 -12.298 1.00 0.00 N ATOM 917 CD2 HIS A 177 2.395 -1.605 -10.829 1.00 0.00 C ATOM 918 CE1 HIS A 177 3.173 -1.992 -12.860 1.00 0.00 C ATOM 919 NE2 HIS A 177 2.239 -2.386 -11.982 1.00 0.00 N ATOM 0 H HIS A 177 5.117 1.554 -8.381 1.00 0.00 H new ATOM 0 HA HIS A 177 2.543 0.445 -8.529 1.00 0.00 H new ATOM 0 HB2 HIS A 177 3.715 1.249 -10.456 1.00 0.00 H new ATOM 0 HB3 HIS A 177 5.103 0.229 -10.133 1.00 0.00 H new ATOM 0 HD1 HIS A 177 4.756 -0.608 -12.733 1.00 0.00 H new ATOM 0 HD2 HIS A 177 1.781 -1.647 -9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 177 3.285 -2.374 -13.864 1.00 0.00 H new ATOM 927 N ASP A 178 4.957 -1.778 -8.066 1.00 0.00 N ATOM 928 CA ASP A 178 5.237 -3.150 -7.655 1.00 0.00 C ATOM 929 C ASP A 178 4.902 -3.364 -6.180 1.00 0.00 C ATOM 930 O ASP A 178 4.435 -4.432 -5.790 1.00 0.00 O ATOM 931 CB ASP A 178 6.708 -3.462 -7.929 1.00 0.00 C ATOM 932 CG ASP A 178 6.892 -4.893 -8.411 1.00 0.00 C ATOM 933 OD1 ASP A 178 6.401 -5.837 -7.757 1.00 0.00 O ATOM 934 OD2 ASP A 178 7.547 -5.088 -9.462 1.00 0.00 O ATOM 0 H ASP A 178 5.787 -1.254 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 178 4.608 -3.830 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 178 7.094 -2.772 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 178 7.290 -3.305 -7.021 1.00 0.00 H new ATOM 939 N CYS A 179 5.095 -2.326 -5.362 1.00 0.00 N ATOM 940 CA CYS A 179 4.647 -2.307 -3.978 1.00 0.00 C ATOM 941 C CYS A 179 3.130 -2.434 -3.889 1.00 0.00 C ATOM 942 O CYS A 179 2.660 -3.271 -3.119 1.00 0.00 O ATOM 943 CB CYS A 179 5.120 -1.023 -3.293 1.00 0.00 C ATOM 944 SG CYS A 179 4.468 -0.776 -1.626 1.00 0.00 S ATOM 0 H CYS A 179 5.571 -1.471 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 179 5.083 -3.164 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 179 6.209 -1.032 -3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 179 4.835 -0.171 -3.910 1.00 0.00 H new ATOM 949 N VAL A 180 2.369 -1.639 -4.648 1.00 0.00 N ATOM 950 CA VAL A 180 0.919 -1.738 -4.750 1.00 0.00 C ATOM 951 C VAL A 180 0.570 -3.173 -5.130 1.00 0.00 C ATOM 952 O VAL A 180 -0.069 -3.839 -4.326 1.00 0.00 O ATOM 953 CB VAL A 180 0.347 -0.622 -5.658 1.00 0.00 C ATOM 954 CG1 VAL A 180 -1.115 -0.855 -6.059 1.00 0.00 C ATOM 955 CG2 VAL A 180 0.400 0.730 -4.924 1.00 0.00 C ATOM 0 H VAL A 180 2.760 -0.891 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 180 0.425 -1.548 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 180 0.963 -0.628 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.453 -0.036 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -1.197 -1.795 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.735 -0.899 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -0.004 1.510 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -0.192 0.672 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 180 1.434 0.967 -4.672 1.00 0.00 H new ATOM 965 N ASN A 181 1.062 -3.690 -6.260 1.00 0.00 N ATOM 966 CA ASN A 181 0.850 -5.063 -6.718 1.00 0.00 C ATOM 967 C ASN A 181 1.048 -6.079 -5.600 1.00 0.00 C ATOM 968 O ASN A 181 0.182 -6.921 -5.372 1.00 0.00 O ATOM 969 CB ASN A 181 1.805 -5.420 -7.876 1.00 0.00 C ATOM 970 CG ASN A 181 1.296 -5.009 -9.245 1.00 0.00 C ATOM 971 OD1 ASN A 181 0.097 -5.021 -9.512 1.00 0.00 O ATOM 972 ND2 ASN A 181 2.193 -4.691 -10.158 1.00 0.00 N ATOM 0 H ASN A 181 1.638 -3.144 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 181 -0.184 -5.110 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 181 2.768 -4.942 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 181 1.978 -6.496 -7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 181 1.895 -4.450 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 181 3.185 -4.686 -9.919 1.00 0.00 H new ATOM 979 N ILE A 182 2.208 -6.084 -4.945 1.00 0.00 N ATOM 980 CA ILE A 182 2.496 -7.079 -3.925 1.00 0.00 C ATOM 981 C ILE A 182 1.638 -6.869 -2.680 1.00 0.00 C ATOM 982 O ILE A 182 1.134 -7.846 -2.129 1.00 0.00 O ATOM 983 CB ILE A 182 4.011 -7.095 -3.620 1.00 0.00 C ATOM 984 CG1 ILE A 182 4.848 -7.892 -4.651 1.00 0.00 C ATOM 985 CG2 ILE A 182 4.302 -7.667 -2.233 1.00 0.00 C ATOM 986 CD1 ILE A 182 4.202 -9.166 -5.208 1.00 0.00 C ATOM 0 H ILE A 182 2.958 -5.411 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 182 2.228 -8.066 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 182 4.308 -6.048 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 182 5.080 -7.232 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.796 -8.164 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 182 5.377 -7.662 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 182 3.806 -7.058 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.930 -8.690 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 182 4.881 -9.637 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 182 3.996 -9.857 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.269 -8.911 -5.711 1.00 0.00 H new ATOM 998 N THR A 183 1.527 -5.649 -2.177 1.00 0.00 N ATOM 999 CA THR A 183 0.887 -5.393 -0.898 1.00 0.00 C ATOM 1000 C THR A 183 -0.620 -5.610 -1.037 1.00 0.00 C ATOM 1001 O THR A 183 -1.236 -6.183 -0.135 1.00 0.00 O ATOM 1002 CB THR A 183 1.246 -3.979 -0.450 1.00 0.00 C ATOM 1003 OG1 THR A 183 2.652 -3.824 -0.452 1.00 0.00 O ATOM 1004 CG2 THR A 183 0.672 -3.645 0.923 1.00 0.00 C ATOM 0 H THR A 183 1.877 -4.812 -2.643 1.00 0.00 H new ATOM 0 HA THR A 183 1.238 -6.082 -0.130 1.00 0.00 H new ATOM 0 HB THR A 183 0.799 -3.280 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 183 2.957 -3.621 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 183 0.954 -2.629 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 183 -0.415 -3.724 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 183 1.066 -4.343 1.662 1.00 0.00 H new ATOM 1012 N ILE A 184 -1.196 -5.257 -2.192 1.00 0.00 N ATOM 1013 CA ILE A 184 -2.505 -5.716 -2.619 1.00 0.00 C ATOM 1014 C ILE A 184 -2.511 -7.225 -2.496 1.00 0.00 C ATOM 1015 O ILE A 184 -3.292 -7.746 -1.706 1.00 0.00 O ATOM 1016 CB ILE A 184 -2.843 -5.200 -4.037 1.00 0.00 C ATOM 1017 CG1 ILE A 184 -3.309 -3.735 -3.887 1.00 0.00 C ATOM 1018 CG2 ILE A 184 -3.872 -6.054 -4.787 1.00 0.00 C ATOM 1019 CD1 ILE A 184 -3.716 -3.060 -5.191 1.00 0.00 C ATOM 0 H ILE A 184 -0.749 -4.632 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 184 -3.297 -5.312 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 184 -1.950 -5.268 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.154 -3.705 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.506 -3.157 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.053 -5.624 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.490 -7.069 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -4.805 -6.077 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.028 -2.036 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -2.869 -3.052 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.543 -3.609 -5.642 1.00 0.00 H new ATOM 1031 N LYS A 185 -1.639 -7.941 -3.208 1.00 0.00 N ATOM 1032 CA LYS A 185 -1.671 -9.396 -3.216 1.00 0.00 C ATOM 1033 C LYS A 185 -1.617 -9.988 -1.808 1.00 0.00 C ATOM 1034 O LYS A 185 -2.329 -10.945 -1.506 1.00 0.00 O ATOM 1035 CB LYS A 185 -0.566 -9.938 -4.120 1.00 0.00 C ATOM 1036 CG LYS A 185 -0.869 -11.407 -4.418 1.00 0.00 C ATOM 1037 CD LYS A 185 -0.081 -11.964 -5.604 1.00 0.00 C ATOM 1038 CE LYS A 185 1.438 -11.918 -5.393 1.00 0.00 C ATOM 1039 NZ LYS A 185 2.147 -12.078 -6.674 1.00 0.00 N ATOM 0 H LYS A 185 -0.904 -7.533 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 185 -2.630 -9.712 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -0.517 -9.365 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 185 0.405 -9.841 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -0.647 -12.002 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.935 -11.517 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.386 -12.995 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -0.335 -11.397 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 185 1.718 -10.970 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 185 1.739 -12.708 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 3.173 -12.044 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 1.895 -12.993 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 1.874 -11.310 -7.320 1.00 0.00 H new ATOM 1053 N GLN A 186 -0.834 -9.405 -0.908 1.00 0.00 N ATOM 1054 CA GLN A 186 -0.602 -9.928 0.429 1.00 0.00 C ATOM 1055 C GLN A 186 -1.850 -9.819 1.301 1.00 0.00 C ATOM 1056 O GLN A 186 -1.991 -10.527 2.299 1.00 0.00 O ATOM 1057 CB GLN A 186 0.637 -9.245 1.027 1.00 0.00 C ATOM 1058 CG GLN A 186 1.904 -9.877 0.425 1.00 0.00 C ATOM 1059 CD GLN A 186 2.155 -11.253 1.025 1.00 0.00 C ATOM 1060 OE1 GLN A 186 2.724 -11.388 2.102 1.00 0.00 O ATOM 1061 NE2 GLN A 186 1.716 -12.303 0.347 1.00 0.00 N ATOM 0 H GLN A 186 -0.333 -8.536 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 186 -0.394 -10.997 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 186 0.615 -8.176 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 186 0.641 -9.357 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 186 1.796 -9.960 -0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 186 2.762 -9.231 0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.245 -12.171 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.849 -13.243 0.720 1.00 0.00 H new ATOM 1070 N HIS A 187 -2.806 -9.014 0.854 1.00 0.00 N ATOM 1071 CA HIS A 187 -4.127 -8.881 1.407 1.00 0.00 C ATOM 1072 C HIS A 187 -5.162 -9.638 0.553 1.00 0.00 C ATOM 1073 O HIS A 187 -6.063 -10.276 1.094 1.00 0.00 O ATOM 1074 CB HIS A 187 -4.395 -7.374 1.509 1.00 0.00 C ATOM 1075 CG HIS A 187 -4.567 -6.918 2.935 1.00 0.00 C ATOM 1076 ND1 HIS A 187 -5.627 -6.210 3.443 1.00 0.00 N ATOM 1077 CD2 HIS A 187 -3.658 -7.091 3.945 1.00 0.00 C ATOM 1078 CE1 HIS A 187 -5.378 -5.977 4.742 1.00 0.00 C ATOM 1079 NE2 HIS A 187 -4.174 -6.473 5.090 1.00 0.00 N ATOM 0 H HIS A 187 -2.661 -8.406 0.048 1.00 0.00 H new ATOM 0 HA HIS A 187 -4.209 -9.333 2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -3.569 -6.829 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -5.292 -7.128 0.941 1.00 0.00 H new ATOM 0 HD1 HIS A 187 -6.455 -5.914 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -2.714 -7.610 3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -6.049 -5.464 5.414 1.00 0.00 H new ATOM 1087 N THR A 188 -4.998 -9.664 -0.771 1.00 0.00 N ATOM 1088 CA THR A 188 -6.031 -9.970 -1.767 1.00 0.00 C ATOM 1089 C THR A 188 -6.000 -11.448 -2.139 1.00 0.00 C ATOM 1090 O THR A 188 -6.959 -11.997 -2.679 1.00 0.00 O ATOM 1091 CB THR A 188 -5.877 -9.032 -2.976 1.00 0.00 C ATOM 1092 OG1 THR A 188 -5.849 -7.702 -2.497 1.00 0.00 O ATOM 1093 CG2 THR A 188 -7.023 -9.102 -3.986 1.00 0.00 C ATOM 0 H THR A 188 -4.095 -9.462 -1.201 1.00 0.00 H new ATOM 0 HA THR A 188 -7.020 -9.789 -1.346 1.00 0.00 H new ATOM 0 HB THR A 188 -4.966 -9.345 -3.486 1.00 0.00 H new ATOM 0 HG1 THR A 188 -4.973 -7.516 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 188 -6.830 -8.408 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 188 -7.099 -10.115 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 188 -7.958 -8.833 -3.495 1.00 0.00 H new ATOM 1101 N VAL A 189 -4.923 -12.112 -1.744 1.00 0.00 N ATOM 1102 CA VAL A 189 -4.782 -13.540 -1.742 1.00 0.00 C ATOM 1103 C VAL A 189 -4.496 -13.936 -0.301 1.00 0.00 C ATOM 1104 O VAL A 189 -5.302 -14.617 0.318 1.00 0.00 O ATOM 1105 CB VAL A 189 -3.740 -13.922 -2.818 1.00 0.00 C ATOM 1106 CG1 VAL A 189 -2.297 -14.149 -2.374 1.00 0.00 C ATOM 1107 CG2 VAL A 189 -4.237 -15.166 -3.525 1.00 0.00 C ATOM 0 H VAL A 189 -4.089 -11.635 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 189 -5.668 -14.106 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 189 -3.670 -13.039 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -1.687 -14.409 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -1.909 -13.238 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -2.263 -14.962 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -3.520 -15.460 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -4.348 -15.975 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -5.201 -14.960 -3.990 1.00 0.00 H new ATOM 1117 N THR A 190 -3.432 -13.401 0.296 1.00 0.00 N ATOM 1118 CA THR A 190 -2.837 -13.935 1.528 1.00 0.00 C ATOM 1119 C THR A 190 -3.622 -13.532 2.806 1.00 0.00 C ATOM 1120 O THR A 190 -3.126 -13.626 3.927 1.00 0.00 O ATOM 1121 CB THR A 190 -1.322 -13.617 1.454 1.00 0.00 C ATOM 1122 OG1 THR A 190 -0.745 -14.402 0.437 1.00 0.00 O ATOM 1123 CG2 THR A 190 -0.467 -13.814 2.694 1.00 0.00 C ATOM 0 H THR A 190 -2.951 -12.576 -0.063 1.00 0.00 H new ATOM 0 HA THR A 190 -2.925 -15.018 1.611 1.00 0.00 H new ATOM 0 HB THR A 190 -1.316 -12.541 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 190 0.223 -14.460 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 190 0.566 -13.546 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 190 -0.840 -13.180 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 190 -0.512 -14.858 3.005 1.00 0.00 H new ATOM 1131 N THR A 191 -4.878 -13.104 2.664 1.00 0.00 N ATOM 1132 CA THR A 191 -5.808 -12.750 3.738 1.00 0.00 C ATOM 1133 C THR A 191 -7.251 -12.992 3.238 1.00 0.00 C ATOM 1134 O THR A 191 -8.058 -13.573 3.962 1.00 0.00 O ATOM 1135 CB THR A 191 -5.438 -11.316 4.186 1.00 0.00 C ATOM 1136 OG1 THR A 191 -4.276 -11.375 4.988 1.00 0.00 O ATOM 1137 CG2 THR A 191 -6.473 -10.468 4.912 1.00 0.00 C ATOM 0 H THR A 191 -5.298 -12.988 1.742 1.00 0.00 H new ATOM 0 HA THR A 191 -5.739 -13.367 4.634 1.00 0.00 H new ATOM 0 HB THR A 191 -5.316 -10.798 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 191 -3.795 -12.209 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 191 -6.044 -9.495 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 191 -7.346 -10.333 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 191 -6.772 -10.968 5.833 1.00 0.00 H new ATOM 1145 N THR A 192 -7.543 -12.734 1.957 1.00 0.00 N ATOM 1146 CA THR A 192 -8.799 -13.080 1.255 1.00 0.00 C ATOM 1147 C THR A 192 -8.968 -14.595 0.989 1.00 0.00 C ATOM 1148 O THR A 192 -9.854 -15.046 0.268 1.00 0.00 O ATOM 1149 CB THR A 192 -8.888 -12.293 -0.053 1.00 0.00 C ATOM 1150 OG1 THR A 192 -8.427 -10.972 0.118 1.00 0.00 O ATOM 1151 CG2 THR A 192 -10.278 -12.068 -0.634 1.00 0.00 C ATOM 0 H THR A 192 -6.881 -12.255 1.346 1.00 0.00 H new ATOM 0 HA THR A 192 -9.618 -12.803 1.919 1.00 0.00 H new ATOM 0 HB THR A 192 -8.301 -12.928 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 192 -7.458 -10.980 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 192 -10.198 -11.498 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 192 -10.746 -13.030 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 192 -10.886 -11.514 0.081 1.00 0.00 H new ATOM 1159 N THR A 193 -8.055 -15.403 1.507 1.00 0.00 N ATOM 1160 CA THR A 193 -8.118 -16.862 1.512 1.00 0.00 C ATOM 1161 C THR A 193 -8.268 -17.380 2.956 1.00 0.00 C ATOM 1162 O THR A 193 -8.081 -18.570 3.215 1.00 0.00 O ATOM 1163 CB THR A 193 -6.886 -17.360 0.729 1.00 0.00 C ATOM 1164 OG1 THR A 193 -7.039 -18.654 0.182 1.00 0.00 O ATOM 1165 CG2 THR A 193 -5.586 -17.308 1.537 1.00 0.00 C ATOM 0 H THR A 193 -7.211 -15.046 1.956 1.00 0.00 H new ATOM 0 HA THR A 193 -8.998 -17.264 1.009 1.00 0.00 H new ATOM 0 HB THR A 193 -6.812 -16.650 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 193 -6.223 -18.904 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 193 -4.762 -17.673 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 193 -5.386 -16.280 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 193 -5.683 -17.934 2.424 1.00 0.00 H new ATOM 1173 N LYS A 194 -8.540 -16.482 3.910 1.00 0.00 N ATOM 1174 CA LYS A 194 -8.618 -16.717 5.342 1.00 0.00 C ATOM 1175 C LYS A 194 -9.923 -16.144 5.859 1.00 0.00 C ATOM 1176 O LYS A 194 -10.971 -16.777 5.735 1.00 0.00 O ATOM 1177 CB LYS A 194 -7.345 -16.258 6.078 1.00 0.00 C ATOM 1178 CG LYS A 194 -6.127 -17.063 5.607 1.00 0.00 C ATOM 1179 CD LYS A 194 -5.134 -17.287 6.740 1.00 0.00 C ATOM 1180 CE LYS A 194 -4.251 -16.072 7.037 1.00 0.00 C ATOM 1181 NZ LYS A 194 -3.138 -16.451 7.932 1.00 0.00 N ATOM 0 H LYS A 194 -8.723 -15.506 3.677 1.00 0.00 H new ATOM 0 HA LYS A 194 -8.643 -17.786 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -7.177 -15.196 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -7.476 -16.382 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.455 -18.025 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.635 -16.536 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -5.682 -17.556 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -4.497 -18.135 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -3.855 -15.666 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -4.847 -15.286 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -2.548 -15.617 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -3.521 -16.818 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -2.560 -17.186 7.476 1.00 0.00 H new ATOM 1195 N GLY A 195 -9.841 -14.998 6.507 1.00 0.00 N ATOM 1196 CA GLY A 195 -10.984 -14.301 7.074 1.00 0.00 C ATOM 1197 C GLY A 195 -11.590 -13.276 6.122 1.00 0.00 C ATOM 1198 O GLY A 195 -12.714 -12.833 6.368 1.00 0.00 O ATOM 0 H GLY A 195 -8.957 -14.512 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.747 -15.029 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -10.678 -13.799 7.992 1.00 0.00 H new ATOM 1202 N GLU A 196 -10.885 -12.869 5.062 1.00 0.00 N ATOM 1203 CA GLU A 196 -11.215 -11.639 4.350 1.00 0.00 C ATOM 1204 C GLU A 196 -11.918 -11.912 3.021 1.00 0.00 C ATOM 1205 O GLU A 196 -11.842 -13.029 2.507 1.00 0.00 O ATOM 1206 CB GLU A 196 -9.929 -10.812 4.177 1.00 0.00 C ATOM 1207 CG GLU A 196 -10.120 -9.342 4.563 1.00 0.00 C ATOM 1208 CD GLU A 196 -10.588 -9.152 6.007 1.00 0.00 C ATOM 1209 OE1 GLU A 196 -10.092 -9.866 6.904 1.00 0.00 O ATOM 1210 OE2 GLU A 196 -11.465 -8.274 6.214 1.00 0.00 O ATOM 0 H GLU A 196 -10.085 -13.375 4.682 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.930 -11.063 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.138 -11.245 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -9.599 -10.872 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -9.179 -8.811 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -10.847 -8.888 3.890 1.00 0.00 H new ATOM 1217 N ASN A 197 -12.570 -10.899 2.438 1.00 0.00 N ATOM 1218 CA ASN A 197 -13.240 -11.001 1.143 1.00 0.00 C ATOM 1219 C ASN A 197 -13.362 -9.609 0.507 1.00 0.00 C ATOM 1220 O ASN A 197 -14.457 -9.078 0.321 1.00 0.00 O ATOM 1221 CB ASN A 197 -14.602 -11.680 1.319 1.00 0.00 C ATOM 1222 CG ASN A 197 -15.152 -12.179 -0.008 1.00 0.00 C ATOM 1223 OD1 ASN A 197 -15.131 -13.371 -0.295 1.00 0.00 O ATOM 1224 ND2 ASN A 197 -15.667 -11.303 -0.848 1.00 0.00 N ATOM 0 H ASN A 197 -12.646 -9.974 2.861 1.00 0.00 H new ATOM 0 HA ASN A 197 -12.650 -11.618 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -14.506 -12.516 2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -15.306 -10.976 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -16.050 -11.616 -1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -15.683 -10.312 -0.606 1.00 0.00 H new ATOM 1231 N PHE A 198 -12.221 -8.989 0.208 1.00 0.00 N ATOM 1232 CA PHE A 198 -12.163 -7.719 -0.521 1.00 0.00 C ATOM 1233 C PHE A 198 -12.845 -7.884 -1.882 1.00 0.00 C ATOM 1234 O PHE A 198 -12.566 -8.845 -2.605 1.00 0.00 O ATOM 1235 CB PHE A 198 -10.708 -7.267 -0.734 1.00 0.00 C ATOM 1236 CG PHE A 198 -9.947 -6.890 0.525 1.00 0.00 C ATOM 1237 CD1 PHE A 198 -10.175 -5.664 1.180 1.00 0.00 C ATOM 1238 CD2 PHE A 198 -9.002 -7.780 1.056 1.00 0.00 C ATOM 1239 CE1 PHE A 198 -9.520 -5.370 2.390 1.00 0.00 C ATOM 1240 CE2 PHE A 198 -8.359 -7.503 2.270 1.00 0.00 C ATOM 1241 CZ PHE A 198 -8.656 -6.317 2.959 1.00 0.00 C ATOM 0 H PHE A 198 -11.304 -9.355 0.466 1.00 0.00 H new ATOM 0 HA PHE A 198 -12.677 -6.960 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 198 -10.167 -8.069 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 198 -10.708 -6.410 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 198 -10.857 -4.945 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 198 -8.767 -8.689 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 198 -9.682 -4.420 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 198 -7.638 -8.199 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 198 -8.218 -6.133 3.929 1.00 0.00 H new ATOM 1251 N THR A 199 -13.711 -6.941 -2.231 1.00 0.00 N ATOM 1252 CA THR A 199 -14.416 -6.867 -3.504 1.00 0.00 C ATOM 1253 C THR A 199 -13.506 -6.275 -4.583 1.00 0.00 C ATOM 1254 O THR A 199 -12.345 -5.950 -4.322 1.00 0.00 O ATOM 1255 CB THR A 199 -15.699 -6.038 -3.320 1.00 0.00 C ATOM 1256 OG1 THR A 199 -15.424 -4.693 -2.961 1.00 0.00 O ATOM 1257 CG2 THR A 199 -16.604 -6.648 -2.248 1.00 0.00 C ATOM 0 H THR A 199 -13.952 -6.172 -1.606 1.00 0.00 H new ATOM 0 HA THR A 199 -14.696 -7.868 -3.834 1.00 0.00 H new ATOM 0 HB THR A 199 -16.204 -6.050 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 199 -15.347 -4.624 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 199 -17.502 -6.040 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 199 -16.884 -7.660 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 199 -16.072 -6.679 -1.297 1.00 0.00 H new ATOM 1265 N GLU A 200 -14.008 -6.114 -5.807 1.00 0.00 N ATOM 1266 CA GLU A 200 -13.318 -5.348 -6.830 1.00 0.00 C ATOM 1267 C GLU A 200 -13.155 -3.890 -6.390 1.00 0.00 C ATOM 1268 O GLU A 200 -12.043 -3.365 -6.393 1.00 0.00 O ATOM 1269 CB GLU A 200 -14.069 -5.475 -8.169 1.00 0.00 C ATOM 1270 CG GLU A 200 -13.089 -6.029 -9.201 1.00 0.00 C ATOM 1271 CD GLU A 200 -13.654 -6.072 -10.623 1.00 0.00 C ATOM 1272 OE1 GLU A 200 -14.669 -6.756 -10.857 1.00 0.00 O ATOM 1273 OE2 GLU A 200 -13.043 -5.439 -11.520 1.00 0.00 O ATOM 0 H GLU A 200 -14.898 -6.510 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 200 -12.315 -5.749 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -14.928 -6.137 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -14.451 -4.505 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -12.186 -5.418 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -12.794 -7.036 -8.906 1.00 0.00 H new ATOM 1280 N THR A 201 -14.244 -3.244 -5.965 1.00 0.00 N ATOM 1281 CA THR A 201 -14.248 -1.822 -5.619 1.00 0.00 C ATOM 1282 C THR A 201 -13.318 -1.543 -4.435 1.00 0.00 C ATOM 1283 O THR A 201 -12.694 -0.484 -4.384 1.00 0.00 O ATOM 1284 CB THR A 201 -15.675 -1.372 -5.270 1.00 0.00 C ATOM 1285 OG1 THR A 201 -16.625 -2.086 -6.043 1.00 0.00 O ATOM 1286 CG2 THR A 201 -15.914 0.132 -5.432 1.00 0.00 C ATOM 0 H THR A 201 -15.151 -3.696 -5.851 1.00 0.00 H new ATOM 0 HA THR A 201 -13.888 -1.261 -6.482 1.00 0.00 H new ATOM 0 HB THR A 201 -15.799 -1.596 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 201 -17.529 -1.789 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 201 -16.945 0.367 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 201 -15.236 0.681 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 201 -15.732 0.420 -6.467 1.00 0.00 H new ATOM 1294 N ASP A 202 -13.205 -2.491 -3.498 1.00 0.00 N ATOM 1295 CA ASP A 202 -12.265 -2.395 -2.386 1.00 0.00 C ATOM 1296 C ASP A 202 -10.850 -2.293 -2.932 1.00 0.00 C ATOM 1297 O ASP A 202 -10.108 -1.401 -2.539 1.00 0.00 O ATOM 1298 CB ASP A 202 -12.330 -3.631 -1.477 1.00 0.00 C ATOM 1299 CG ASP A 202 -13.555 -3.678 -0.577 1.00 0.00 C ATOM 1300 OD1 ASP A 202 -13.821 -2.701 0.149 1.00 0.00 O ATOM 1301 OD2 ASP A 202 -14.277 -4.700 -0.607 1.00 0.00 O ATOM 0 H ASP A 202 -13.764 -3.344 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 202 -12.533 -1.513 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 202 -12.315 -4.526 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 202 -11.435 -3.659 -0.856 1.00 0.00 H new ATOM 1306 N VAL A 203 -10.472 -3.177 -3.856 1.00 0.00 N ATOM 1307 CA VAL A 203 -9.137 -3.184 -4.442 1.00 0.00 C ATOM 1308 C VAL A 203 -8.909 -1.893 -5.245 1.00 0.00 C ATOM 1309 O VAL A 203 -7.828 -1.312 -5.158 1.00 0.00 O ATOM 1310 CB VAL A 203 -8.921 -4.491 -5.233 1.00 0.00 C ATOM 1311 CG1 VAL A 203 -7.557 -4.535 -5.933 1.00 0.00 C ATOM 1312 CG2 VAL A 203 -8.988 -5.700 -4.277 1.00 0.00 C ATOM 0 H VAL A 203 -11.085 -3.908 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 203 -8.370 -3.181 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 203 -9.708 -4.530 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -7.456 -5.475 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -7.480 -3.703 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -6.764 -4.458 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -8.835 -6.619 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -8.212 -5.607 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -9.965 -5.729 -3.795 1.00 0.00 H new ATOM 1322 N LYS A 204 -9.930 -1.363 -5.929 1.00 0.00 N ATOM 1323 CA LYS A 204 -9.846 -0.073 -6.626 1.00 0.00 C ATOM 1324 C LYS A 204 -9.520 1.093 -5.685 1.00 0.00 C ATOM 1325 O LYS A 204 -8.961 2.100 -6.137 1.00 0.00 O ATOM 1326 CB LYS A 204 -11.162 0.204 -7.373 1.00 0.00 C ATOM 1327 CG LYS A 204 -11.457 -0.764 -8.526 1.00 0.00 C ATOM 1328 CD LYS A 204 -10.566 -0.425 -9.718 1.00 0.00 C ATOM 1329 CE LYS A 204 -10.744 -1.399 -10.876 1.00 0.00 C ATOM 1330 NZ LYS A 204 -9.704 -1.157 -11.891 1.00 0.00 N ATOM 0 H LYS A 204 -10.839 -1.817 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 204 -9.022 -0.146 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 204 -11.985 0.161 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 204 -11.134 1.220 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 204 -11.280 -1.791 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 204 -12.507 -0.696 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 204 -10.791 0.585 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 204 -9.523 -0.430 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 204 -10.681 -2.425 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 204 -11.733 -1.277 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 -9.828 -1.823 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 -9.784 -0.182 -12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 -8.765 -1.295 -11.466 1.00 0.00 H new ATOM 1344 N MET A 205 -9.861 0.977 -4.399 1.00 0.00 N ATOM 1345 CA MET A 205 -9.456 1.929 -3.366 1.00 0.00 C ATOM 1346 C MET A 205 -8.132 1.527 -2.723 1.00 0.00 C ATOM 1347 O MET A 205 -7.344 2.396 -2.351 1.00 0.00 O ATOM 1348 CB MET A 205 -10.529 2.041 -2.280 1.00 0.00 C ATOM 1349 CG MET A 205 -11.853 2.501 -2.881 1.00 0.00 C ATOM 1350 SD MET A 205 -12.965 3.373 -1.771 1.00 0.00 S ATOM 1351 CE MET A 205 -14.127 3.981 -3.026 1.00 0.00 C ATOM 0 H MET A 205 -10.432 0.210 -4.044 1.00 0.00 H new ATOM 0 HA MET A 205 -9.329 2.896 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 205 -10.661 1.076 -1.790 1.00 0.00 H new ATOM 0 HB3 MET A 205 -10.207 2.746 -1.514 1.00 0.00 H new ATOM 0 HG2 MET A 205 -11.637 3.150 -3.730 1.00 0.00 H new ATOM 0 HG3 MET A 205 -12.374 1.627 -3.272 1.00 0.00 H new ATOM 0 HE1 MET A 205 -14.244 5.060 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 205 -13.742 3.753 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 205 -15.094 3.496 -2.892 1.00 0.00 H new ATOM 1361 N MET A 206 -7.859 0.230 -2.600 1.00 0.00 N ATOM 1362 CA MET A 206 -6.624 -0.281 -2.034 1.00 0.00 C ATOM 1363 C MET A 206 -5.427 0.174 -2.871 1.00 0.00 C ATOM 1364 O MET A 206 -4.385 0.498 -2.309 1.00 0.00 O ATOM 1365 CB MET A 206 -6.677 -1.808 -1.925 1.00 0.00 C ATOM 1366 CG MET A 206 -5.611 -2.292 -0.944 1.00 0.00 C ATOM 1367 SD MET A 206 -5.396 -4.090 -0.768 1.00 0.00 S ATOM 1368 CE MET A 206 -7.101 -4.705 -0.789 1.00 0.00 C ATOM 0 H MET A 206 -8.503 -0.503 -2.897 1.00 0.00 H new ATOM 0 HA MET A 206 -6.504 0.122 -1.028 1.00 0.00 H new ATOM 0 HB2 MET A 206 -7.665 -2.124 -1.589 1.00 0.00 H new ATOM 0 HB3 MET A 206 -6.515 -2.258 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 206 -4.655 -1.866 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 206 -5.845 -1.882 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 206 -7.096 -5.793 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 206 -7.647 -4.293 0.060 1.00 0.00 H new ATOM 0 HE3 MET A 206 -7.587 -4.399 -1.715 1.00 0.00 H new ATOM 1378 N GLU A 207 -5.604 0.281 -4.190 1.00 0.00 N ATOM 1379 CA GLU A 207 -4.624 0.829 -5.121 1.00 0.00 C ATOM 1380 C GLU A 207 -4.158 2.205 -4.635 1.00 0.00 C ATOM 1381 O GLU A 207 -2.969 2.496 -4.683 1.00 0.00 O ATOM 1382 CB GLU A 207 -5.233 0.941 -6.532 1.00 0.00 C ATOM 1383 CG GLU A 207 -5.466 -0.422 -7.220 1.00 0.00 C ATOM 1384 CD GLU A 207 -4.602 -0.705 -8.458 1.00 0.00 C ATOM 1385 OE1 GLU A 207 -3.492 -0.148 -8.606 1.00 0.00 O ATOM 1386 OE2 GLU A 207 -5.070 -1.488 -9.318 1.00 0.00 O ATOM 0 H GLU A 207 -6.462 -0.022 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 207 -3.765 0.159 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -6.183 1.472 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -4.573 1.544 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -5.289 -1.211 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.515 -0.486 -7.510 1.00 0.00 H new ATOM 1393 N ARG A 208 -5.082 3.035 -4.127 1.00 0.00 N ATOM 1394 CA ARG A 208 -4.791 4.383 -3.641 1.00 0.00 C ATOM 1395 C ARG A 208 -4.148 4.332 -2.273 1.00 0.00 C ATOM 1396 O ARG A 208 -3.161 5.029 -2.039 1.00 0.00 O ATOM 1397 CB ARG A 208 -6.055 5.255 -3.521 1.00 0.00 C ATOM 1398 CG ARG A 208 -6.451 5.951 -4.810 1.00 0.00 C ATOM 1399 CD ARG A 208 -7.165 5.036 -5.788 1.00 0.00 C ATOM 1400 NE ARG A 208 -7.327 5.711 -7.084 1.00 0.00 N ATOM 1401 CZ ARG A 208 -8.356 5.551 -7.919 1.00 0.00 C ATOM 1402 NH1 ARG A 208 -9.251 4.585 -7.709 1.00 0.00 N ATOM 1403 NH2 ARG A 208 -8.501 6.379 -8.945 1.00 0.00 N ATOM 0 H ARG A 208 -6.066 2.780 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 208 -4.118 4.824 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 208 -6.884 4.631 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 208 -5.893 6.007 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 208 -7.098 6.797 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 208 -5.558 6.355 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 208 -6.597 4.115 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 208 -8.140 4.756 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 208 -6.590 6.356 -7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 208 -9.151 3.963 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 208 -10.035 4.468 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 208 -7.829 7.132 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 208 -9.285 6.263 -9.587 1.00 0.00 H new ATOM 1417 N VAL A 209 -4.736 3.573 -1.347 1.00 0.00 N ATOM 1418 CA VAL A 209 -4.308 3.596 0.041 1.00 0.00 C ATOM 1419 C VAL A 209 -2.859 3.104 0.128 1.00 0.00 C ATOM 1420 O VAL A 209 -2.021 3.737 0.769 1.00 0.00 O ATOM 1421 CB VAL A 209 -5.347 2.827 0.888 1.00 0.00 C ATOM 1422 CG1 VAL A 209 -5.113 1.327 1.025 1.00 0.00 C ATOM 1423 CG2 VAL A 209 -5.479 3.403 2.291 1.00 0.00 C ATOM 0 H VAL A 209 -5.510 2.937 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 209 -4.282 4.601 0.463 1.00 0.00 H new ATOM 0 HB VAL A 209 -6.263 2.961 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 209 -5.901 0.890 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 209 -5.124 0.865 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 209 -4.146 1.151 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 209 -6.220 2.832 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 209 -4.517 3.346 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 209 -5.795 4.444 2.229 1.00 0.00 H new ATOM 1433 N VAL A 210 -2.540 2.023 -0.585 1.00 0.00 N ATOM 1434 CA VAL A 210 -1.205 1.461 -0.635 1.00 0.00 C ATOM 1435 C VAL A 210 -0.288 2.350 -1.484 1.00 0.00 C ATOM 1436 O VAL A 210 0.910 2.357 -1.224 1.00 0.00 O ATOM 1437 CB VAL A 210 -1.292 0.012 -1.148 1.00 0.00 C ATOM 1438 CG1 VAL A 210 0.069 -0.658 -1.316 1.00 0.00 C ATOM 1439 CG2 VAL A 210 -2.110 -0.891 -0.208 1.00 0.00 C ATOM 0 H VAL A 210 -3.218 1.511 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 210 -0.762 1.430 0.360 1.00 0.00 H new ATOM 0 HB VAL A 210 -1.777 0.111 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -0.069 -1.676 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 210 0.666 -0.094 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 210 0.583 -0.683 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.143 -1.903 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -1.643 -0.909 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -3.125 -0.502 -0.121 1.00 0.00 H new ATOM 1449 N GLU A 211 -0.813 3.138 -2.430 1.00 0.00 N ATOM 1450 CA GLU A 211 -0.036 4.127 -3.174 1.00 0.00 C ATOM 1451 C GLU A 211 0.453 5.128 -2.151 1.00 0.00 C ATOM 1452 O GLU A 211 1.635 5.170 -1.867 1.00 0.00 O ATOM 1453 CB GLU A 211 -0.800 4.869 -4.300 1.00 0.00 C ATOM 1454 CG GLU A 211 -0.128 4.696 -5.668 1.00 0.00 C ATOM 1455 CD GLU A 211 -0.329 5.899 -6.595 1.00 0.00 C ATOM 1456 OE1 GLU A 211 -1.477 6.367 -6.792 1.00 0.00 O ATOM 1457 OE2 GLU A 211 0.687 6.440 -7.098 1.00 0.00 O ATOM 0 H GLU A 211 -1.796 3.104 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 211 0.762 3.599 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.823 4.496 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -0.860 5.930 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.940 4.532 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 211 -0.525 3.803 -6.151 1.00 0.00 H new ATOM 1464 N GLN A 212 -0.449 5.895 -1.545 1.00 0.00 N ATOM 1465 CA GLN A 212 -0.172 6.873 -0.511 1.00 0.00 C ATOM 1466 C GLN A 212 0.791 6.363 0.561 1.00 0.00 C ATOM 1467 O GLN A 212 1.668 7.105 1.004 1.00 0.00 O ATOM 1468 CB GLN A 212 -1.516 7.194 0.130 1.00 0.00 C ATOM 1469 CG GLN A 212 -2.397 8.051 -0.774 1.00 0.00 C ATOM 1470 CD GLN A 212 -2.098 9.532 -0.594 1.00 0.00 C ATOM 1471 OE1 GLN A 212 -2.053 10.049 0.517 1.00 0.00 O ATOM 1472 NE2 GLN A 212 -1.880 10.238 -1.685 1.00 0.00 N ATOM 0 H GLN A 212 -1.441 5.844 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 212 0.311 7.742 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -2.035 6.265 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -1.351 7.715 1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -2.237 7.769 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -3.446 7.860 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -1.922 9.789 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -1.669 11.233 -1.615 1.00 0.00 H new ATOM 1481 N MET A 213 0.626 5.119 1.004 1.00 0.00 N ATOM 1482 CA MET A 213 1.551 4.482 1.925 1.00 0.00 C ATOM 1483 C MET A 213 2.923 4.327 1.264 1.00 0.00 C ATOM 1484 O MET A 213 3.900 4.874 1.768 1.00 0.00 O ATOM 1485 CB MET A 213 0.964 3.152 2.412 1.00 0.00 C ATOM 1486 CG MET A 213 -0.103 3.384 3.491 1.00 0.00 C ATOM 1487 SD MET A 213 -1.456 2.171 3.611 1.00 0.00 S ATOM 1488 CE MET A 213 -0.582 0.603 3.373 1.00 0.00 C ATOM 0 H MET A 213 -0.158 4.526 0.731 1.00 0.00 H new ATOM 0 HA MET A 213 1.696 5.107 2.806 1.00 0.00 H new ATOM 0 HB2 MET A 213 0.525 2.614 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 213 1.760 2.524 2.812 1.00 0.00 H new ATOM 0 HG2 MET A 213 0.399 3.424 4.458 1.00 0.00 H new ATOM 0 HG3 MET A 213 -0.545 4.366 3.321 1.00 0.00 H new ATOM 0 HE1 MET A 213 -1.224 -0.222 3.682 1.00 0.00 H new ATOM 0 HE2 MET A 213 -0.324 0.487 2.321 1.00 0.00 H new ATOM 0 HE3 MET A 213 0.328 0.599 3.973 1.00 0.00 H new ATOM 1498 N CYS A 214 3.039 3.602 0.151 1.00 0.00 N ATOM 1499 CA CYS A 214 4.329 3.342 -0.475 1.00 0.00 C ATOM 1500 C CYS A 214 4.970 4.577 -1.109 1.00 0.00 C ATOM 1501 O CYS A 214 6.182 4.591 -1.307 1.00 0.00 O ATOM 1502 CB CYS A 214 4.242 2.179 -1.461 1.00 0.00 C ATOM 1503 SG CYS A 214 5.439 0.896 -1.045 1.00 0.00 S ATOM 0 H CYS A 214 2.247 3.183 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 214 5.000 3.054 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 214 3.235 1.761 -1.449 1.00 0.00 H new ATOM 0 HB3 CYS A 214 4.426 2.540 -2.473 1.00 0.00 H new ATOM 1508 N VAL A 215 4.204 5.636 -1.364 1.00 0.00 N ATOM 1509 CA VAL A 215 4.699 6.942 -1.739 1.00 0.00 C ATOM 1510 C VAL A 215 5.577 7.426 -0.587 1.00 0.00 C ATOM 1511 O VAL A 215 6.754 7.726 -0.800 1.00 0.00 O ATOM 1512 CB VAL A 215 3.546 7.917 -2.079 1.00 0.00 C ATOM 1513 CG1 VAL A 215 4.033 9.376 -2.152 1.00 0.00 C ATOM 1514 CG2 VAL A 215 2.869 7.593 -3.421 1.00 0.00 C ATOM 0 H VAL A 215 3.186 5.598 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 215 5.289 6.892 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 215 2.828 7.793 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 215 3.194 10.028 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 215 4.455 9.667 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 215 4.796 9.467 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 215 2.069 8.309 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 215 3.604 7.654 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 215 2.454 6.586 -3.385 1.00 0.00 H new ATOM 1524 N THR A 216 5.021 7.480 0.624 1.00 0.00 N ATOM 1525 CA THR A 216 5.745 7.849 1.828 1.00 0.00 C ATOM 1526 C THR A 216 6.890 6.868 2.090 1.00 0.00 C ATOM 1527 O THR A 216 7.976 7.317 2.429 1.00 0.00 O ATOM 1528 CB THR A 216 4.736 7.896 2.987 1.00 0.00 C ATOM 1529 OG1 THR A 216 3.751 8.875 2.708 1.00 0.00 O ATOM 1530 CG2 THR A 216 5.370 8.163 4.348 1.00 0.00 C ATOM 0 H THR A 216 4.038 7.264 0.792 1.00 0.00 H new ATOM 0 HA THR A 216 6.207 8.830 1.719 1.00 0.00 H new ATOM 0 HB THR A 216 4.289 6.904 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 216 3.031 8.473 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 216 4.594 8.181 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 216 6.087 7.374 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.883 9.125 4.328 1.00 0.00 H new ATOM 1538 N GLN A 217 6.698 5.555 1.915 1.00 0.00 N ATOM 1539 CA GLN A 217 7.764 4.581 2.140 1.00 0.00 C ATOM 1540 C GLN A 217 8.944 4.886 1.214 1.00 0.00 C ATOM 1541 O GLN A 217 10.060 5.029 1.700 1.00 0.00 O ATOM 1542 CB GLN A 217 7.243 3.144 1.961 1.00 0.00 C ATOM 1543 CG GLN A 217 7.781 2.172 3.019 1.00 0.00 C ATOM 1544 CD GLN A 217 9.290 1.945 2.997 1.00 0.00 C ATOM 1545 OE1 GLN A 217 9.939 2.020 1.968 1.00 0.00 O ATOM 1546 NE2 GLN A 217 9.857 1.624 4.148 1.00 0.00 N ATOM 0 H GLN A 217 5.812 5.146 1.618 1.00 0.00 H new ATOM 0 HA GLN A 217 8.113 4.661 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 217 6.154 3.151 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 217 7.521 2.784 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 217 7.502 2.544 4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 217 7.285 1.210 2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 217 9.293 1.568 4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 217 10.858 1.433 4.188 1.00 0.00 H new ATOM 1555 N TYR A 218 8.704 5.065 -0.090 1.00 0.00 N ATOM 1556 CA TYR A 218 9.752 5.415 -1.041 1.00 0.00 C ATOM 1557 C TYR A 218 10.450 6.708 -0.641 1.00 0.00 C ATOM 1558 O TYR A 218 11.673 6.787 -0.757 1.00 0.00 O ATOM 1559 CB TYR A 218 9.184 5.584 -2.452 1.00 0.00 C ATOM 1560 CG TYR A 218 10.228 6.001 -3.477 1.00 0.00 C ATOM 1561 CD1 TYR A 218 11.357 5.191 -3.703 1.00 0.00 C ATOM 1562 CD2 TYR A 218 10.126 7.238 -4.141 1.00 0.00 C ATOM 1563 CE1 TYR A 218 12.349 5.590 -4.616 1.00 0.00 C ATOM 1564 CE2 TYR A 218 11.087 7.621 -5.086 1.00 0.00 C ATOM 1565 CZ TYR A 218 12.189 6.786 -5.350 1.00 0.00 C ATOM 1566 OH TYR A 218 13.081 7.153 -6.303 1.00 0.00 O ATOM 0 H TYR A 218 7.779 4.970 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 218 10.471 4.596 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 218 8.730 4.645 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 218 8.390 6.330 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 218 11.462 4.257 -3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 218 9.300 7.898 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 218 13.231 4.983 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 218 10.982 8.558 -5.613 1.00 0.00 H new ATOM 0 HH TYR A 218 12.803 8.005 -6.701 1.00 0.00 H new ATOM 1576 N GLN A 219 9.698 7.719 -0.187 1.00 0.00 N ATOM 1577 CA GLN A 219 10.290 8.953 0.301 1.00 0.00 C ATOM 1578 C GLN A 219 11.217 8.646 1.475 1.00 0.00 C ATOM 1579 O GLN A 219 12.391 9.007 1.410 1.00 0.00 O ATOM 1580 CB GLN A 219 9.221 9.992 0.664 1.00 0.00 C ATOM 1581 CG GLN A 219 8.560 10.563 -0.587 1.00 0.00 C ATOM 1582 CD GLN A 219 7.499 11.617 -0.299 1.00 0.00 C ATOM 1583 OE1 GLN A 219 7.722 12.587 0.425 1.00 0.00 O ATOM 1584 NE2 GLN A 219 6.350 11.484 -0.944 1.00 0.00 N ATOM 0 H GLN A 219 8.679 7.698 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 219 10.883 9.398 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 219 8.465 9.533 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 219 9.675 10.799 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 219 9.328 11.000 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 219 8.105 9.748 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.190 10.670 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 219 5.625 12.195 -0.847 1.00 0.00 H new ATOM 1593 N LYS A 220 10.715 7.963 2.504 1.00 0.00 N ATOM 1594 CA LYS A 220 11.435 7.592 3.713 1.00 0.00 C ATOM 1595 C LYS A 220 12.690 6.798 3.389 1.00 0.00 C ATOM 1596 O LYS A 220 13.744 7.163 3.891 1.00 0.00 O ATOM 1597 CB LYS A 220 10.501 6.833 4.667 1.00 0.00 C ATOM 1598 CG LYS A 220 9.484 7.788 5.317 1.00 0.00 C ATOM 1599 CD LYS A 220 8.371 7.041 6.057 1.00 0.00 C ATOM 1600 CE LYS A 220 8.823 6.348 7.343 1.00 0.00 C ATOM 1601 NZ LYS A 220 9.086 7.291 8.444 1.00 0.00 N ATOM 0 H LYS A 220 9.748 7.640 2.513 1.00 0.00 H new ATOM 0 HA LYS A 220 11.766 8.500 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 220 9.974 6.051 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 220 11.089 6.340 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 220 10.002 8.446 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 220 9.043 8.423 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 220 7.575 7.746 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 220 7.943 6.295 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 220 8.057 5.638 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 220 9.727 5.773 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 9.388 6.764 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 9.837 7.953 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 8.219 7.823 8.660 1.00 0.00 H new ATOM 1615 N GLU A 221 12.613 5.743 2.581 1.00 0.00 N ATOM 1616 CA GLU A 221 13.775 4.944 2.208 1.00 0.00 C ATOM 1617 C GLU A 221 14.755 5.768 1.381 1.00 0.00 C ATOM 1618 O GLU A 221 15.950 5.740 1.661 1.00 0.00 O ATOM 1619 CB GLU A 221 13.343 3.677 1.452 1.00 0.00 C ATOM 1620 CG GLU A 221 13.256 2.471 2.396 1.00 0.00 C ATOM 1621 CD GLU A 221 14.614 2.092 3.003 1.00 0.00 C ATOM 1622 OE1 GLU A 221 15.620 2.035 2.263 1.00 0.00 O ATOM 1623 OE2 GLU A 221 14.673 1.799 4.223 1.00 0.00 O ATOM 0 H GLU A 221 11.740 5.418 2.166 1.00 0.00 H new ATOM 0 HA GLU A 221 14.284 4.634 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 221 12.374 3.844 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 221 14.054 3.467 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 221 12.554 2.694 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 221 12.856 1.616 1.851 1.00 0.00 H new ATOM 1630 N SER A 222 14.270 6.530 0.396 1.00 0.00 N ATOM 1631 CA SER A 222 15.123 7.406 -0.393 1.00 0.00 C ATOM 1632 C SER A 222 15.903 8.352 0.507 1.00 0.00 C ATOM 1633 O SER A 222 17.113 8.476 0.350 1.00 0.00 O ATOM 1634 CB SER A 222 14.308 8.242 -1.372 1.00 0.00 C ATOM 1635 OG SER A 222 13.780 7.461 -2.423 1.00 0.00 O ATOM 0 H SER A 222 13.286 6.553 0.130 1.00 0.00 H new ATOM 0 HA SER A 222 15.809 6.765 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 222 13.493 8.732 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 222 14.937 9.030 -1.787 1.00 0.00 H new ATOM 0 HG SER A 222 12.945 7.039 -2.130 1.00 0.00 H new ATOM 1641 N GLN A 223 15.223 9.006 1.447 1.00 0.00 N ATOM 1642 CA GLN A 223 15.828 9.966 2.330 1.00 0.00 C ATOM 1643 C GLN A 223 16.772 9.243 3.280 1.00 0.00 C ATOM 1644 O GLN A 223 17.902 9.665 3.451 1.00 0.00 O ATOM 1645 CB GLN A 223 14.702 10.745 3.014 1.00 0.00 C ATOM 1646 CG GLN A 223 15.032 11.358 4.378 1.00 0.00 C ATOM 1647 CD GLN A 223 14.779 10.408 5.548 1.00 0.00 C ATOM 1648 OE1 GLN A 223 15.597 10.276 6.455 1.00 0.00 O ATOM 1649 NE2 GLN A 223 13.636 9.746 5.575 1.00 0.00 N ATOM 0 H GLN A 223 14.225 8.873 1.608 1.00 0.00 H new ATOM 0 HA GLN A 223 16.445 10.695 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 223 14.386 11.546 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 223 13.849 10.077 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 223 16.078 11.663 4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 223 14.436 12.260 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 223 12.962 9.861 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 223 13.428 9.120 6.353 1.00 0.00 H new ATOM 1658 N ALA A 224 16.353 8.141 3.886 1.00 0.00 N ATOM 1659 CA ALA A 224 17.175 7.418 4.835 1.00 0.00 C ATOM 1660 C ALA A 224 18.434 6.838 4.170 1.00 0.00 C ATOM 1661 O ALA A 224 19.424 6.616 4.857 1.00 0.00 O ATOM 1662 CB ALA A 224 16.303 6.350 5.498 1.00 0.00 C ATOM 0 H ALA A 224 15.434 7.727 3.731 1.00 0.00 H new ATOM 0 HA ALA A 224 17.549 8.095 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 224 16.899 5.790 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 224 15.469 6.828 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 224 15.920 5.670 4.738 1.00 0.00 H new ATOM 1668 N ALA A 225 18.446 6.660 2.847 1.00 0.00 N ATOM 1669 CA ALA A 225 19.628 6.337 2.066 1.00 0.00 C ATOM 1670 C ALA A 225 20.429 7.612 1.784 1.00 0.00 C ATOM 1671 O ALA A 225 21.592 7.704 2.169 1.00 0.00 O ATOM 1672 CB ALA A 225 19.216 5.633 0.765 1.00 0.00 C ATOM 0 H ALA A 225 17.603 6.741 2.278 1.00 0.00 H new ATOM 0 HA ALA A 225 20.266 5.656 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 225 20.106 5.393 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 225 18.679 4.714 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 225 18.570 6.291 0.184 1.00 0.00 H new ATOM 1678 N ALA A 226 19.817 8.586 1.105 1.00 0.00 N ATOM 1679 CA ALA A 226 20.444 9.802 0.590 1.00 0.00 C ATOM 1680 C ALA A 226 20.827 10.812 1.679 1.00 0.00 C ATOM 1681 O ALA A 226 21.538 11.777 1.391 1.00 0.00 O ATOM 1682 CB ALA A 226 19.479 10.471 -0.399 1.00 0.00 C ATOM 0 H ALA A 226 18.821 8.544 0.890 1.00 0.00 H new ATOM 0 HA ALA A 226 21.374 9.500 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 226 19.933 11.380 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 226 19.268 9.787 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 226 18.550 10.722 0.112 1.00 0.00 H new ATOM 1688 N ASP A 227 20.350 10.621 2.903 1.00 0.00 N ATOM 1689 CA ASP A 227 20.604 11.403 4.107 1.00 0.00 C ATOM 1690 C ASP A 227 21.156 10.495 5.208 1.00 0.00 C ATOM 1691 O ASP A 227 21.473 10.967 6.294 1.00 0.00 O ATOM 1692 CB ASP A 227 19.319 12.113 4.571 1.00 0.00 C ATOM 1693 CG ASP A 227 19.598 13.327 5.464 1.00 0.00 C ATOM 1694 OD1 ASP A 227 20.570 14.068 5.195 1.00 0.00 O ATOM 1695 OD2 ASP A 227 18.741 13.625 6.338 1.00 0.00 O ATOM 0 H ASP A 227 19.718 9.844 3.095 1.00 0.00 H new ATOM 0 HA ASP A 227 21.346 12.169 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 227 18.751 12.434 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 227 18.694 11.404 5.115 1.00 0.00 H new ATOM 1700 N GLY A 228 21.282 9.187 4.947 1.00 0.00 N ATOM 1701 CA GLY A 228 21.980 8.241 5.810 1.00 0.00 C ATOM 1702 C GLY A 228 21.218 7.862 7.075 1.00 0.00 C ATOM 1703 O GLY A 228 21.756 7.154 7.923 1.00 0.00 O ATOM 0 H GLY A 228 20.891 8.754 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 228 22.189 7.335 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 228 22.942 8.668 6.094 1.00 0.00 H new ATOM 1707 N ARG A 229 19.975 8.313 7.230 1.00 0.00 N ATOM 1708 CA ARG A 229 19.170 8.146 8.431 1.00 0.00 C ATOM 1709 C ARG A 229 18.505 6.764 8.437 1.00 0.00 C ATOM 1710 O ARG A 229 17.277 6.671 8.518 1.00 0.00 O ATOM 1711 CB ARG A 229 18.177 9.319 8.517 1.00 0.00 C ATOM 1712 CG ARG A 229 18.861 10.701 8.452 1.00 0.00 C ATOM 1713 CD ARG A 229 18.365 11.680 9.526 1.00 0.00 C ATOM 1714 NE ARG A 229 19.386 12.695 9.838 1.00 0.00 N ATOM 1715 CZ ARG A 229 19.439 13.448 10.941 1.00 0.00 C ATOM 1716 NH1 ARG A 229 18.431 13.475 11.802 1.00 0.00 N ATOM 1717 NH2 ARG A 229 20.517 14.176 11.190 1.00 0.00 N ATOM 0 H ARG A 229 19.486 8.823 6.494 1.00 0.00 H new ATOM 0 HA ARG A 229 19.787 8.175 9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 229 17.458 9.238 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 229 17.614 9.243 9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 229 19.938 10.570 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 229 18.690 11.137 7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 229 17.455 12.171 9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 229 18.107 11.130 10.431 1.00 0.00 H new ATOM 0 HE ARG A 229 20.122 12.837 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 229 17.597 12.915 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 229 18.490 14.056 12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 229 21.304 14.161 10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 229 20.561 14.752 12.031 1.00 0.00 H new