USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 83 LYS NZ :NH3+ -174:sc= -0.691 (180deg=-0.803) USER MOD Set 1.2: A 124 HIS : no HD1:sc=-0.00392 K(o=-0.7,f=-1.6) USER MOD Set 2.1: A 95 MET CE :methyl -154:sc= -3.01 (180deg=-6.8!) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 62 GLN : amide:sc= -0.0439 X(o=-0.43,f=-0.65) USER MOD Set 3.2: A 63 HIS :FLIP no HE2:sc= -0.384 F(o=-3,f=-0.43) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0.298 USER MOD Set 4.2: A 40 THR OG1 : rot -79:sc= 0.309 USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 54 SER OG : rot 179:sc= -0.505 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.79 X(o=-0.79,f=-1.3) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -7.83! C(o=-7.8!,f=-7.4!) USER MOD Single : A 28 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= -0.601 (180deg=-2.78!) USER MOD Single : A 35 TYR OH : rot 30:sc= -1.12 USER MOD Single : A 36 THR OG1 : rot 48:sc= 1.19 USER MOD Single : A 38 MET CE :methyl 176:sc= -0.744 (180deg=-0.817) USER MOD Single : A 41 TYR OH : rot -142:sc= 1.44 USER MOD Single : A 43 SER OG : rot 180:sc= -0.87 USER MOD Single : A 44 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.23) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.232 K(o=-0.23,f=-3.2!) USER MOD Single : A 50 GLN : amide:sc=-0.00566 K(o=-0.0057,f=-0.92) USER MOD Single : A 52 GLN : amide:sc= -0.989 X(o=-0.99,f=-0.72) USER MOD Single : A 53 MET CE :methyl -179:sc= -3.54 (180deg=-3.58) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 140:sc= -0.306 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.125 F(o=-0.83,f=-0.12) USER MOD Single : A 65 THR OG1 : rot 37:sc= 0.221 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 72 GLN : amide:sc= -0.823 K(o=-0.82,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 50:sc= 0.0143 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 170:sc= -0.961 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -45:sc= -1.91! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -47:sc= 1.14 USER MOD Single : A 130 LYS NZ :NH3+ 150:sc= 0.434 (180deg=-0.465) USER MOD Single : A 134 SER OG : rot 32:sc= -3.78! USER MOD Single : A 135 LYS NZ :NH3+ 171:sc= -1.6 (180deg=-1.86!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.566 -4.835 8.354 1.00 0.00 N ATOM 107 CA PRO A 9 3.419 -5.052 7.415 1.00 0.00 C ATOM 108 C PRO A 9 2.459 -6.131 7.907 1.00 0.00 C ATOM 109 O PRO A 9 2.843 -7.013 8.682 1.00 0.00 O ATOM 110 CB PRO A 9 4.113 -5.492 6.135 1.00 0.00 C ATOM 111 CG PRO A 9 5.285 -6.287 6.607 1.00 0.00 C ATOM 112 CD PRO A 9 5.758 -5.624 7.907 1.00 0.00 C ATOM 0 HA PRO A 9 2.800 -4.162 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.452 -6.091 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.427 -4.636 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.006 -7.326 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.079 -6.290 5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.051 -6.365 8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.623 -4.983 7.738 1.00 0.00 H new ATOM 120 N THR A 10 1.222 -6.078 7.406 1.00 0.00 N ATOM 121 CA THR A 10 0.205 -7.072 7.738 1.00 0.00 C ATOM 122 C THR A 10 -0.291 -7.746 6.448 1.00 0.00 C ATOM 123 O THR A 10 -0.612 -7.064 5.470 1.00 0.00 O ATOM 124 CB THR A 10 -0.963 -6.395 8.484 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.464 -5.769 9.659 1.00 0.00 O ATOM 126 CG2 THR A 10 -2.030 -7.437 8.883 1.00 0.00 C ATOM 0 H THR A 10 0.902 -5.352 6.765 1.00 0.00 H new ATOM 0 HA THR A 10 0.634 -7.834 8.389 1.00 0.00 H new ATOM 0 HB THR A 10 -1.420 -5.657 7.825 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.201 -5.335 10.137 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.846 -6.940 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.418 -7.922 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.581 -8.186 9.536 1.00 0.00 H new ATOM 134 N THR A 11 -0.314 -9.089 6.447 1.00 0.00 N ATOM 135 CA THR A 11 -0.730 -9.853 5.264 1.00 0.00 C ATOM 136 C THR A 11 -2.092 -10.521 5.499 1.00 0.00 C ATOM 137 O THR A 11 -2.290 -11.214 6.500 1.00 0.00 O ATOM 138 CB THR A 11 0.346 -10.911 4.920 1.00 0.00 C ATOM 139 OG1 THR A 11 1.586 -10.252 4.693 1.00 0.00 O ATOM 140 CG2 THR A 11 -0.044 -11.683 3.647 1.00 0.00 C ATOM 0 H THR A 11 -0.051 -9.663 7.248 1.00 0.00 H new ATOM 0 HA THR A 11 -0.834 -9.169 4.422 1.00 0.00 H new ATOM 0 HB THR A 11 0.430 -11.612 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.274 -10.915 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.724 -12.423 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.998 -12.187 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.135 -10.987 2.813 1.00 0.00 H new ATOM 148 N VAL A 12 -3.028 -10.286 4.566 1.00 0.00 N ATOM 149 CA VAL A 12 -4.383 -10.845 4.665 1.00 0.00 C ATOM 150 C VAL A 12 -4.768 -11.557 3.357 1.00 0.00 C ATOM 151 O VAL A 12 -4.654 -10.982 2.278 1.00 0.00 O ATOM 152 CB VAL A 12 -5.403 -9.715 4.983 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.828 -10.290 5.115 1.00 0.00 C ATOM 154 CG2 VAL A 12 -5.016 -9.009 6.297 1.00 0.00 C ATOM 0 H VAL A 12 -2.871 -9.714 3.737 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.401 -11.576 5.474 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.384 -8.998 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.527 -9.483 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.115 -10.771 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.851 -11.023 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.736 -8.219 6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.017 -9.732 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.021 -8.576 6.198 1.00 0.00 H new ATOM 164 N ALA A 13 -5.253 -12.795 3.474 1.00 0.00 N ATOM 165 CA ALA A 13 -5.694 -13.572 2.308 1.00 0.00 C ATOM 166 C ALA A 13 -7.196 -13.838 2.391 1.00 0.00 C ATOM 167 O ALA A 13 -7.738 -13.994 3.492 1.00 0.00 O ATOM 168 CB ALA A 13 -4.933 -14.897 2.238 1.00 0.00 C ATOM 0 H ALA A 13 -5.351 -13.283 4.364 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.485 -12.997 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.269 -15.464 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.865 -14.699 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.123 -15.474 3.143 1.00 0.00 H new ATOM 174 N PHE A 14 -7.875 -13.874 1.226 1.00 0.00 N ATOM 175 CA PHE A 14 -9.323 -14.104 1.201 1.00 0.00 C ATOM 176 C PHE A 14 -9.755 -14.850 -0.061 1.00 0.00 C ATOM 177 O PHE A 14 -9.029 -14.871 -1.060 1.00 0.00 O ATOM 178 CB PHE A 14 -10.083 -12.764 1.332 1.00 0.00 C ATOM 179 CG PHE A 14 -9.789 -11.859 0.144 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.621 -11.892 -0.983 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.691 -10.993 0.176 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.353 -11.057 -2.077 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.425 -10.160 -0.918 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.256 -10.192 -2.043 1.00 0.00 C ATOM 0 H PHE A 14 -7.448 -13.748 0.308 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.574 -14.735 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.155 -12.953 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.793 -12.265 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.469 -12.561 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.049 -10.967 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.994 -11.082 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.577 -9.492 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.050 -9.548 -2.885 1.00 0.00 H new ATOM 194 N ASP A 15 -10.944 -15.458 0.002 1.00 0.00 N ATOM 195 CA ASP A 15 -11.482 -16.209 -1.128 1.00 0.00 C ATOM 196 C ASP A 15 -12.538 -15.401 -1.866 1.00 0.00 C ATOM 197 O ASP A 15 -13.509 -14.934 -1.263 1.00 0.00 O ATOM 198 CB ASP A 15 -12.103 -17.524 -0.644 1.00 0.00 C ATOM 199 CG ASP A 15 -11.056 -18.365 0.076 1.00 0.00 C ATOM 200 OD1 ASP A 15 -9.969 -18.509 -0.458 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.357 -18.854 1.153 1.00 0.00 O ATOM 0 H ASP A 15 -11.548 -15.443 0.824 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.658 -16.421 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.937 -17.316 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.506 -18.078 -1.492 1.00 0.00 H new ATOM 206 N VAL A 16 -12.374 -15.304 -3.185 1.00 0.00 N ATOM 207 CA VAL A 16 -13.343 -14.626 -4.035 1.00 0.00 C ATOM 208 C VAL A 16 -14.300 -15.674 -4.585 1.00 0.00 C ATOM 209 O VAL A 16 -13.915 -16.501 -5.412 1.00 0.00 O ATOM 210 CB VAL A 16 -12.612 -13.892 -5.195 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.631 -13.193 -6.120 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.653 -12.840 -4.615 1.00 0.00 C ATOM 0 H VAL A 16 -11.574 -15.690 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.896 -13.881 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.053 -14.627 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.102 -12.685 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.308 -13.935 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.204 -12.465 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.141 -12.326 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.219 -12.116 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.918 -13.330 -3.976 1.00 0.00 H new ATOM 222 N ARG A 17 -15.537 -15.651 -4.089 1.00 0.00 N ATOM 223 CA ARG A 17 -16.550 -16.627 -4.490 1.00 0.00 C ATOM 224 C ARG A 17 -17.648 -15.961 -5.360 1.00 0.00 C ATOM 225 O ARG A 17 -18.394 -15.115 -4.858 1.00 0.00 O ATOM 226 CB ARG A 17 -17.166 -17.283 -3.245 1.00 0.00 C ATOM 227 CG ARG A 17 -16.064 -18.050 -2.491 1.00 0.00 C ATOM 228 CD ARG A 17 -16.597 -18.549 -1.149 1.00 0.00 C ATOM 229 NE ARG A 17 -17.697 -19.510 -1.357 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.445 -20.018 -0.341 1.00 0.00 C ATOM 231 NH1 ARG A 17 -18.221 -19.674 0.914 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.398 -20.867 -0.612 1.00 0.00 N ATOM 0 H ARG A 17 -15.862 -14.965 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.071 -17.398 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.608 -16.525 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.968 -17.962 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.721 -18.893 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.203 -17.401 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.794 -19.023 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.950 -17.706 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.907 -19.808 -2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.475 -19.015 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.794 -20.067 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.576 -21.143 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.965 -21.255 0.142 1.00 0.00 H new ATOM 246 N PRO A 18 -17.746 -16.296 -6.674 1.00 0.00 N ATOM 247 CA PRO A 18 -18.752 -15.668 -7.590 1.00 0.00 C ATOM 248 C PRO A 18 -20.174 -16.142 -7.317 1.00 0.00 C ATOM 249 O PRO A 18 -20.396 -17.080 -6.547 1.00 0.00 O ATOM 250 CB PRO A 18 -18.299 -16.109 -8.976 1.00 0.00 C ATOM 251 CG PRO A 18 -17.636 -17.420 -8.755 1.00 0.00 C ATOM 252 CD PRO A 18 -16.920 -17.300 -7.419 1.00 0.00 C ATOM 0 HA PRO A 18 -18.790 -14.586 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.144 -16.202 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.612 -15.387 -9.417 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.366 -18.229 -8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.933 -17.643 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.881 -18.256 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.891 -16.962 -7.543 1.00 0.00 H new ATOM 260 N GLY A 19 -21.133 -15.479 -7.968 1.00 0.00 N ATOM 261 CA GLY A 19 -22.554 -15.814 -7.820 1.00 0.00 C ATOM 262 C GLY A 19 -23.466 -14.575 -7.921 1.00 0.00 C ATOM 263 O GLY A 19 -24.642 -14.640 -7.544 1.00 0.00 O ATOM 0 H GLY A 19 -20.951 -14.704 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.837 -16.533 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.711 -16.299 -6.857 1.00 0.00 H new ATOM 267 N GLY A 20 -22.926 -13.455 -8.442 1.00 0.00 N ATOM 268 CA GLY A 20 -23.705 -12.223 -8.595 1.00 0.00 C ATOM 269 C GLY A 20 -24.020 -11.579 -7.241 1.00 0.00 C ATOM 270 O GLY A 20 -25.027 -10.878 -7.101 1.00 0.00 O ATOM 0 H GLY A 20 -21.960 -13.384 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -23.151 -11.517 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.635 -12.444 -9.118 1.00 0.00 H new ATOM 274 N VAL A 21 -23.158 -11.828 -6.244 1.00 0.00 N ATOM 275 CA VAL A 21 -23.348 -11.283 -4.898 1.00 0.00 C ATOM 276 C VAL A 21 -22.243 -10.281 -4.586 1.00 0.00 C ATOM 277 O VAL A 21 -21.055 -10.585 -4.744 1.00 0.00 O ATOM 278 CB VAL A 21 -23.355 -12.425 -3.845 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.574 -11.857 -2.429 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.479 -13.422 -4.164 1.00 0.00 C ATOM 0 H VAL A 21 -22.323 -12.404 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.311 -10.774 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.390 -12.930 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.576 -12.673 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.771 -11.160 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.530 -11.336 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.479 -14.220 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.439 -12.907 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.318 -13.847 -5.155 1.00 0.00 H new ATOM 290 N VAL A 22 -22.648 -9.094 -4.139 1.00 0.00 N ATOM 291 CA VAL A 22 -21.699 -8.042 -3.794 1.00 0.00 C ATOM 292 C VAL A 22 -21.055 -8.367 -2.450 1.00 0.00 C ATOM 293 O VAL A 22 -21.745 -8.494 -1.432 1.00 0.00 O ATOM 294 CB VAL A 22 -22.419 -6.663 -3.740 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.424 -5.547 -3.374 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.038 -6.349 -5.111 1.00 0.00 C ATOM 0 H VAL A 22 -23.627 -8.838 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.923 -7.987 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.198 -6.711 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.946 -4.591 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.987 -5.755 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.634 -5.504 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.541 -5.383 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.253 -6.317 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.760 -7.124 -5.370 1.00 0.00 H new ATOM 306 N HIS A 23 -19.731 -8.512 -2.466 1.00 0.00 N ATOM 307 CA HIS A 23 -18.974 -8.839 -1.257 1.00 0.00 C ATOM 308 C HIS A 23 -18.054 -7.699 -0.879 1.00 0.00 C ATOM 309 O HIS A 23 -17.398 -7.103 -1.741 1.00 0.00 O ATOM 310 CB HIS A 23 -18.137 -10.111 -1.464 1.00 0.00 C ATOM 311 CG HIS A 23 -19.038 -11.283 -1.768 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.864 -11.854 -0.812 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.251 -11.995 -2.920 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.529 -12.866 -1.404 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.190 -12.993 -2.689 1.00 0.00 N ATOM 0 H HIS A 23 -19.159 -8.408 -3.304 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.692 -9.007 -0.454 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.432 -9.963 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.548 -10.317 -0.570 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.952 -11.562 0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.762 -11.808 -3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.247 -13.496 -0.901 1.00 0.00 H new ATOM 323 N SER A 24 -17.997 -7.413 0.418 1.00 0.00 N ATOM 324 CA SER A 24 -17.138 -6.353 0.939 1.00 0.00 C ATOM 325 C SER A 24 -16.150 -6.910 1.952 1.00 0.00 C ATOM 326 O SER A 24 -16.537 -7.606 2.897 1.00 0.00 O ATOM 327 CB SER A 24 -17.987 -5.260 1.589 1.00 0.00 C ATOM 328 OG SER A 24 -18.832 -4.674 0.607 1.00 0.00 O ATOM 0 H SER A 24 -18.538 -7.902 1.131 1.00 0.00 H new ATOM 0 HA SER A 24 -16.579 -5.926 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.586 -5.681 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.344 -4.500 2.032 1.00 0.00 H new ATOM 0 HG SER A 24 -19.379 -3.974 1.021 1.00 0.00 H new ATOM 334 N PHE A 25 -14.876 -6.577 1.758 1.00 0.00 N ATOM 335 CA PHE A 25 -13.806 -7.014 2.660 1.00 0.00 C ATOM 336 C PHE A 25 -12.989 -5.820 3.117 1.00 0.00 C ATOM 337 O PHE A 25 -12.830 -4.853 2.370 1.00 0.00 O ATOM 338 CB PHE A 25 -12.897 -8.039 1.966 1.00 0.00 C ATOM 339 CG PHE A 25 -13.692 -9.284 1.640 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.300 -9.420 0.386 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.822 -10.300 2.594 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.038 -10.573 0.088 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.559 -11.452 2.295 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.167 -11.588 1.042 1.00 0.00 C ATOM 0 H PHE A 25 -14.555 -6.002 0.979 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.261 -7.488 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.481 -7.612 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.056 -8.291 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.200 -8.637 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.353 -10.195 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.508 -10.678 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.658 -12.236 3.031 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.736 -12.477 0.811 1.00 0.00 H new ATOM 354 N SER A 26 -12.498 -5.877 4.358 1.00 0.00 N ATOM 355 CA SER A 26 -11.724 -4.775 4.920 1.00 0.00 C ATOM 356 C SER A 26 -10.750 -5.267 5.977 1.00 0.00 C ATOM 357 O SER A 26 -10.863 -6.398 6.464 1.00 0.00 O ATOM 358 CB SER A 26 -12.661 -3.733 5.524 1.00 0.00 C ATOM 359 OG SER A 26 -13.301 -4.284 6.670 1.00 0.00 O ATOM 0 H SER A 26 -12.623 -6.671 4.987 1.00 0.00 H new ATOM 0 HA SER A 26 -11.149 -4.322 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.101 -2.840 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.406 -3.427 4.789 1.00 0.00 H new ATOM 0 HG SER A 26 -13.902 -3.617 7.061 1.00 0.00 H new ATOM 365 N HIS A 27 -9.786 -4.409 6.321 1.00 0.00 N ATOM 366 CA HIS A 27 -8.771 -4.742 7.315 1.00 0.00 C ATOM 367 C HIS A 27 -8.302 -3.488 8.051 1.00 0.00 C ATOM 368 O HIS A 27 -8.272 -2.389 7.481 1.00 0.00 O ATOM 369 CB HIS A 27 -7.581 -5.453 6.642 1.00 0.00 C ATOM 370 CG HIS A 27 -6.605 -5.942 7.690 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.465 -5.225 8.023 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.587 -7.064 8.480 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.812 -5.918 8.972 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.454 -7.048 9.290 1.00 0.00 N ATOM 0 H HIS A 27 -9.690 -3.475 5.922 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.212 -5.418 8.047 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.939 -6.293 6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.079 -4.769 5.958 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.337 -7.841 8.474 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.883 -5.601 9.423 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.174 -7.747 9.978 1.00 0.00 H new ATOM 382 N ASN A 28 -7.962 -3.668 9.330 1.00 0.00 N ATOM 383 CA ASN A 28 -7.518 -2.569 10.178 1.00 0.00 C ATOM 384 C ASN A 28 -6.549 -3.064 11.249 1.00 0.00 C ATOM 385 O ASN A 28 -6.418 -4.272 11.473 1.00 0.00 O ATOM 386 CB ASN A 28 -8.724 -1.891 10.833 1.00 0.00 C ATOM 387 CG ASN A 28 -9.524 -2.900 11.658 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.947 -3.724 12.369 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.828 -2.885 11.602 1.00 0.00 N ATOM 0 H ASN A 28 -7.988 -4.573 9.800 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.996 -1.844 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.387 -1.075 11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.362 -1.452 10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.370 -3.556 12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.305 -2.203 11.013 1.00 0.00 H new ATOM 396 N VAL A 29 -5.873 -2.118 11.905 1.00 0.00 N ATOM 397 CA VAL A 29 -4.903 -2.439 12.964 1.00 0.00 C ATOM 398 C VAL A 29 -5.279 -1.728 14.262 1.00 0.00 C ATOM 399 O VAL A 29 -6.039 -0.754 14.242 1.00 0.00 O ATOM 400 CB VAL A 29 -3.474 -2.046 12.532 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.051 -2.905 11.332 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.421 -0.544 12.140 1.00 0.00 C ATOM 0 H VAL A 29 -5.977 -1.120 11.723 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.926 -3.515 13.135 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.793 -2.215 13.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.042 -2.629 11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.070 -3.958 11.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.740 -2.738 10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.407 -0.282 11.838 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.105 -0.360 11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.714 0.066 12.995 1.00 0.00 H new ATOM 412 N GLY A 30 -4.799 -2.265 15.399 1.00 0.00 N ATOM 413 CA GLY A 30 -5.159 -1.717 16.711 1.00 0.00 C ATOM 414 C GLY A 30 -4.742 -0.238 16.853 1.00 0.00 C ATOM 415 O GLY A 30 -5.591 0.602 17.168 1.00 0.00 O ATOM 0 H GLY A 30 -4.170 -3.067 15.432 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.235 -1.806 16.858 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.680 -2.306 17.494 1.00 0.00 H new ATOM 419 N PRO A 31 -3.469 0.126 16.576 1.00 0.00 N ATOM 420 CA PRO A 31 -3.027 1.563 16.635 1.00 0.00 C ATOM 421 C PRO A 31 -3.817 2.406 15.643 1.00 0.00 C ATOM 422 O PRO A 31 -4.323 3.480 15.973 1.00 0.00 O ATOM 423 CB PRO A 31 -1.545 1.496 16.226 1.00 0.00 C ATOM 424 CG PRO A 31 -1.132 0.096 16.528 1.00 0.00 C ATOM 425 CD PRO A 31 -2.342 -0.763 16.197 1.00 0.00 C ATOM 0 HA PRO A 31 -3.181 2.018 17.613 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.415 1.728 15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.947 2.215 16.786 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.268 -0.196 15.931 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.848 -0.013 17.575 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.373 -1.033 15.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.349 -1.694 16.765 1.00 0.00 H new ATOM 433 N GLY A 32 -3.939 1.871 14.431 1.00 0.00 N ATOM 434 CA GLY A 32 -4.692 2.509 13.355 1.00 0.00 C ATOM 435 C GLY A 32 -6.130 1.998 13.305 1.00 0.00 C ATOM 436 O GLY A 32 -6.665 1.752 12.219 1.00 0.00 O ATOM 0 H GLY A 32 -3.517 0.981 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.693 3.589 13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.202 2.316 12.401 1.00 0.00 H new ATOM 440 N ASP A 33 -6.743 1.806 14.483 1.00 0.00 N ATOM 441 CA ASP A 33 -8.114 1.280 14.553 1.00 0.00 C ATOM 442 C ASP A 33 -9.083 2.185 13.793 1.00 0.00 C ATOM 443 O ASP A 33 -10.003 1.702 13.128 1.00 0.00 O ATOM 444 CB ASP A 33 -8.560 1.154 16.022 1.00 0.00 C ATOM 445 CG ASP A 33 -9.915 0.422 16.141 1.00 0.00 C ATOM 446 OD1 ASP A 33 -10.648 0.369 15.159 1.00 0.00 O ATOM 447 OD2 ASP A 33 -10.195 -0.076 17.219 1.00 0.00 O ATOM 0 H ASP A 33 -6.318 2.004 15.389 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.124 0.294 14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.802 0.613 16.588 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.641 2.147 16.465 1.00 0.00 H new ATOM 452 N LYS A 34 -8.836 3.497 13.859 1.00 0.00 N ATOM 453 CA LYS A 34 -9.653 4.479 13.138 1.00 0.00 C ATOM 454 C LYS A 34 -9.415 4.401 11.620 1.00 0.00 C ATOM 455 O LYS A 34 -10.266 4.821 10.831 1.00 0.00 O ATOM 456 CB LYS A 34 -9.341 5.888 13.637 1.00 0.00 C ATOM 457 CG LYS A 34 -9.855 6.046 15.070 1.00 0.00 C ATOM 458 CD LYS A 34 -9.795 7.526 15.485 1.00 0.00 C ATOM 459 CE LYS A 34 -8.343 7.934 15.797 1.00 0.00 C ATOM 460 NZ LYS A 34 -7.645 8.313 14.531 1.00 0.00 N ATOM 0 H LYS A 34 -8.076 3.904 14.405 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.701 4.247 13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.267 6.068 13.603 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.809 6.628 12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.879 5.680 15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.253 5.443 15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.192 8.152 14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.423 7.691 16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.332 8.771 16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.819 7.109 16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.933 7.591 14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.338 8.378 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.177 9.233 14.655 1.00 0.00 H new ATOM 474 N TYR A 35 -8.236 3.895 11.226 1.00 0.00 N ATOM 475 CA TYR A 35 -7.861 3.801 9.809 1.00 0.00 C ATOM 476 C TYR A 35 -8.088 2.387 9.285 1.00 0.00 C ATOM 477 O TYR A 35 -7.698 1.408 9.934 1.00 0.00 O ATOM 478 CB TYR A 35 -6.381 4.174 9.637 1.00 0.00 C ATOM 479 CG TYR A 35 -6.163 5.611 10.055 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.777 5.906 11.368 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.350 6.640 9.135 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.578 7.235 11.756 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.152 7.969 9.520 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.767 8.268 10.832 1.00 0.00 C ATOM 485 OH TYR A 35 -5.571 9.579 11.212 1.00 0.00 O ATOM 0 H TYR A 35 -7.527 3.545 11.870 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.484 4.492 9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.757 3.512 10.238 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.081 4.038 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.633 5.108 12.081 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.648 6.411 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.279 7.463 12.768 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.296 8.765 8.805 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.891 9.617 11.917 1.00 0.00 H new ATOM 495 N THR A 36 -8.728 2.282 8.106 1.00 0.00 N ATOM 496 CA THR A 36 -9.011 0.971 7.506 1.00 0.00 C ATOM 497 C THR A 36 -9.172 1.052 5.978 1.00 0.00 C ATOM 498 O THR A 36 -9.508 2.108 5.434 1.00 0.00 O ATOM 499 CB THR A 36 -10.273 0.354 8.147 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.500 -0.939 7.603 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.496 1.247 7.890 1.00 0.00 C ATOM 0 H THR A 36 -9.054 3.079 7.559 1.00 0.00 H new ATOM 0 HA THR A 36 -8.153 0.329 7.706 1.00 0.00 H new ATOM 0 HB THR A 36 -10.118 0.275 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.665 -1.452 7.620 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.377 0.798 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.324 2.233 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.656 1.345 6.816 1.00 0.00 H new ATOM 509 N CYS A 37 -8.985 -0.096 5.309 1.00 0.00 N ATOM 510 CA CYS A 37 -9.167 -0.193 3.853 1.00 0.00 C ATOM 511 C CYS A 37 -10.374 -1.076 3.543 1.00 0.00 C ATOM 512 O CYS A 37 -10.606 -2.077 4.227 1.00 0.00 O ATOM 513 CB CYS A 37 -7.913 -0.790 3.173 1.00 0.00 C ATOM 514 SG CYS A 37 -6.479 0.286 3.437 1.00 0.00 S ATOM 0 H CYS A 37 -8.708 -0.971 5.754 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.329 0.812 3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.710 -1.782 3.576 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.093 -0.911 2.105 1.00 0.00 H new ATOM 519 N MET A 38 -11.141 -0.699 2.514 1.00 0.00 N ATOM 520 CA MET A 38 -12.335 -1.459 2.115 1.00 0.00 C ATOM 521 C MET A 38 -12.300 -1.803 0.648 1.00 0.00 C ATOM 522 O MET A 38 -11.831 -1.010 -0.177 1.00 0.00 O ATOM 523 CB MET A 38 -13.607 -0.676 2.407 1.00 0.00 C ATOM 524 CG MET A 38 -13.736 -0.470 3.907 1.00 0.00 C ATOM 525 SD MET A 38 -15.245 0.464 4.266 1.00 0.00 S ATOM 526 CE MET A 38 -15.129 0.398 6.071 1.00 0.00 C ATOM 0 H MET A 38 -10.958 0.126 1.942 1.00 0.00 H new ATOM 0 HA MET A 38 -12.334 -2.379 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.580 0.287 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.475 -1.214 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.764 -1.434 4.415 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.866 0.066 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.937 0.983 6.509 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.209 -0.637 6.403 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.170 0.808 6.389 1.00 0.00 H new ATOM 536 N PHE A 39 -12.806 -2.990 0.326 1.00 0.00 N ATOM 537 CA PHE A 39 -12.846 -3.456 -1.060 1.00 0.00 C ATOM 538 C PHE A 39 -14.181 -4.121 -1.376 1.00 0.00 C ATOM 539 O PHE A 39 -14.504 -5.179 -0.827 1.00 0.00 O ATOM 540 CB PHE A 39 -11.679 -4.426 -1.337 1.00 0.00 C ATOM 541 CG PHE A 39 -10.360 -3.738 -1.001 1.00 0.00 C ATOM 542 CD1 PHE A 39 -9.632 -4.131 0.131 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.889 -2.695 -1.806 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.437 -3.482 0.454 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.691 -2.049 -1.482 1.00 0.00 C ATOM 546 CZ PHE A 39 -7.966 -2.443 -0.354 1.00 0.00 C ATOM 0 H PHE A 39 -13.194 -3.647 1.003 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.739 -2.589 -1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.793 -5.330 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.686 -4.732 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.995 -4.935 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.450 -2.389 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.878 -3.783 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.326 -1.245 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.041 -1.944 -0.106 1.00 0.00 H new ATOM 556 N THR A 40 -14.946 -3.495 -2.273 1.00 0.00 N ATOM 557 CA THR A 40 -16.257 -4.024 -2.684 1.00 0.00 C ATOM 558 C THR A 40 -16.214 -4.445 -4.162 1.00 0.00 C ATOM 559 O THR A 40 -15.776 -3.677 -5.016 1.00 0.00 O ATOM 560 CB THR A 40 -17.349 -2.953 -2.458 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.355 -2.579 -1.088 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.733 -3.515 -2.827 1.00 0.00 C ATOM 0 H THR A 40 -14.684 -2.622 -2.731 1.00 0.00 H new ATOM 0 HA THR A 40 -16.496 -4.900 -2.081 1.00 0.00 H new ATOM 0 HB THR A 40 -17.134 -2.089 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.831 -3.258 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.492 -2.750 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.737 -3.811 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.951 -4.382 -2.204 1.00 0.00 H new ATOM 570 N TYR A 41 -16.651 -5.684 -4.441 1.00 0.00 N ATOM 571 CA TYR A 41 -16.629 -6.221 -5.814 1.00 0.00 C ATOM 572 C TYR A 41 -17.705 -7.302 -6.033 1.00 0.00 C ATOM 573 O TYR A 41 -18.231 -7.873 -5.078 1.00 0.00 O ATOM 574 CB TYR A 41 -15.231 -6.789 -6.148 1.00 0.00 C ATOM 575 CG TYR A 41 -14.865 -7.895 -5.171 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.278 -9.208 -5.414 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.121 -7.595 -4.024 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.946 -10.223 -4.510 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.788 -8.609 -3.121 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.200 -9.924 -3.364 1.00 0.00 C ATOM 581 OH TYR A 41 -13.874 -10.924 -2.472 1.00 0.00 O ATOM 0 H TYR A 41 -17.021 -6.328 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.854 -5.393 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.222 -7.176 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.487 -5.993 -6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.853 -9.439 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.804 -6.580 -3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.265 -11.238 -4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.213 -8.378 -2.236 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.934 -10.578 -1.557 1.00 0.00 H new ATOM 591 N ALA A 42 -17.996 -7.582 -7.314 1.00 0.00 N ATOM 592 CA ALA A 42 -18.980 -8.605 -7.694 1.00 0.00 C ATOM 593 C ALA A 42 -18.499 -9.360 -8.940 1.00 0.00 C ATOM 594 O ALA A 42 -17.814 -8.779 -9.798 1.00 0.00 O ATOM 595 CB ALA A 42 -20.337 -7.955 -7.975 1.00 0.00 C ATOM 0 H ALA A 42 -17.560 -7.110 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.088 -9.309 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.057 -8.723 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.686 -7.440 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.235 -7.238 -8.790 1.00 0.00 H new ATOM 601 N SER A 43 -18.829 -10.666 -9.020 1.00 0.00 N ATOM 602 CA SER A 43 -18.382 -11.501 -10.147 1.00 0.00 C ATOM 603 C SER A 43 -19.320 -12.669 -10.412 1.00 0.00 C ATOM 604 O SER A 43 -20.127 -13.047 -9.559 1.00 0.00 O ATOM 605 CB SER A 43 -16.992 -12.035 -9.881 1.00 0.00 C ATOM 606 OG SER A 43 -16.515 -12.714 -11.036 1.00 0.00 O ATOM 0 H SER A 43 -19.395 -11.156 -8.327 1.00 0.00 H new ATOM 0 HA SER A 43 -18.381 -10.863 -11.031 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.320 -11.217 -9.624 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.009 -12.714 -9.028 1.00 0.00 H new ATOM 0 HG SER A 43 -15.614 -13.058 -10.864 1.00 0.00 H new ATOM 612 N GLN A 44 -19.178 -13.250 -11.607 1.00 0.00 N ATOM 613 CA GLN A 44 -19.973 -14.400 -12.017 1.00 0.00 C ATOM 614 C GLN A 44 -19.064 -15.538 -12.493 1.00 0.00 C ATOM 615 O GLN A 44 -18.181 -15.332 -13.332 1.00 0.00 O ATOM 616 CB GLN A 44 -20.931 -14.000 -13.145 1.00 0.00 C ATOM 617 CG GLN A 44 -21.926 -15.140 -13.433 1.00 0.00 C ATOM 618 CD GLN A 44 -22.822 -15.400 -12.217 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.462 -14.479 -11.708 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.905 -16.605 -11.726 1.00 0.00 N ATOM 0 H GLN A 44 -18.511 -12.935 -12.311 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.550 -14.745 -11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.474 -13.097 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.364 -13.767 -14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.541 -14.883 -14.295 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.381 -16.048 -13.690 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.374 -17.366 -12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.501 -16.787 -10.918 1.00 0.00 H new ATOM 629 N GLY A 45 -19.295 -16.730 -11.949 1.00 0.00 N ATOM 630 CA GLY A 45 -18.516 -17.915 -12.293 1.00 0.00 C ATOM 631 C GLY A 45 -18.871 -19.067 -11.362 1.00 0.00 C ATOM 632 O GLY A 45 -19.701 -18.910 -10.460 1.00 0.00 O ATOM 0 H GLY A 45 -20.026 -16.901 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.711 -18.200 -13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.451 -17.693 -12.219 1.00 0.00 H new ATOM 636 N GLY A 46 -18.243 -20.226 -11.585 1.00 0.00 N ATOM 637 CA GLY A 46 -18.498 -21.414 -10.755 1.00 0.00 C ATOM 638 C GLY A 46 -17.265 -21.842 -9.931 1.00 0.00 C ATOM 639 O GLY A 46 -17.305 -22.868 -9.242 1.00 0.00 O ATOM 0 H GLY A 46 -17.558 -20.369 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.328 -21.208 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.806 -22.240 -11.396 1.00 0.00 H new ATOM 643 N THR A 47 -16.167 -21.065 -10.019 1.00 0.00 N ATOM 644 CA THR A 47 -14.932 -21.387 -9.293 1.00 0.00 C ATOM 645 C THR A 47 -14.431 -20.167 -8.515 1.00 0.00 C ATOM 646 O THR A 47 -14.384 -19.058 -9.054 1.00 0.00 O ATOM 647 CB THR A 47 -13.854 -21.868 -10.287 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.365 -22.966 -11.032 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.596 -22.322 -9.530 1.00 0.00 C ATOM 0 H THR A 47 -16.114 -20.217 -10.583 1.00 0.00 H new ATOM 0 HA THR A 47 -15.141 -22.184 -8.580 1.00 0.00 H new ATOM 0 HB THR A 47 -13.594 -21.046 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.685 -23.275 -11.667 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.844 -22.659 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.199 -21.488 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.852 -23.141 -8.858 1.00 0.00 H new ATOM 657 N ASN A 48 -14.046 -20.385 -7.248 1.00 0.00 N ATOM 658 CA ASN A 48 -13.534 -19.305 -6.412 1.00 0.00 C ATOM 659 C ASN A 48 -12.061 -19.031 -6.729 1.00 0.00 C ATOM 660 O ASN A 48 -11.467 -19.702 -7.578 1.00 0.00 O ATOM 661 CB ASN A 48 -13.708 -19.643 -4.917 1.00 0.00 C ATOM 662 CG ASN A 48 -12.788 -20.804 -4.495 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.280 -21.550 -5.340 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.545 -20.998 -3.227 1.00 0.00 N ATOM 0 H ASN A 48 -14.082 -21.295 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.108 -18.405 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.485 -18.762 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.747 -19.909 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.937 -21.764 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.963 -20.384 -2.528 1.00 0.00 H new ATOM 671 N GLU A 49 -11.485 -18.033 -6.048 1.00 0.00 N ATOM 672 CA GLU A 49 -10.090 -17.655 -6.264 1.00 0.00 C ATOM 673 C GLU A 49 -9.460 -17.194 -4.957 1.00 0.00 C ATOM 674 O GLU A 49 -10.144 -16.674 -4.079 1.00 0.00 O ATOM 675 CB GLU A 49 -10.006 -16.542 -7.322 1.00 0.00 C ATOM 676 CG GLU A 49 -8.535 -16.212 -7.659 1.00 0.00 C ATOM 677 CD GLU A 49 -7.807 -17.428 -8.265 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.471 -18.286 -8.837 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.595 -17.480 -8.147 1.00 0.00 O ATOM 0 H GLU A 49 -11.967 -17.475 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.540 -18.524 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.529 -16.854 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.509 -15.647 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.500 -15.379 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.017 -15.890 -6.756 1.00 0.00 H new ATOM 686 N GLN A 50 -8.151 -17.391 -4.844 1.00 0.00 N ATOM 687 CA GLN A 50 -7.415 -16.991 -3.650 1.00 0.00 C ATOM 688 C GLN A 50 -6.624 -15.720 -3.922 1.00 0.00 C ATOM 689 O GLN A 50 -5.808 -15.677 -4.842 1.00 0.00 O ATOM 690 CB GLN A 50 -6.466 -18.112 -3.219 1.00 0.00 C ATOM 691 CG GLN A 50 -7.286 -19.323 -2.764 1.00 0.00 C ATOM 692 CD GLN A 50 -6.367 -20.510 -2.474 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.362 -20.705 -3.161 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.652 -21.319 -1.489 1.00 0.00 N ATOM 0 H GLN A 50 -7.577 -17.826 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.127 -16.799 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.814 -18.390 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.823 -17.768 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.856 -19.069 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.007 -19.593 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.483 -21.158 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.043 -22.112 -1.288 1.00 0.00 H new ATOM 703 N TRP A 51 -6.880 -14.683 -3.116 1.00 0.00 N ATOM 704 CA TRP A 51 -6.193 -13.397 -3.268 1.00 0.00 C ATOM 705 C TRP A 51 -5.431 -13.031 -2.004 1.00 0.00 C ATOM 706 O TRP A 51 -5.935 -13.200 -0.889 1.00 0.00 O ATOM 707 CB TRP A 51 -7.198 -12.289 -3.599 1.00 0.00 C ATOM 708 CG TRP A 51 -7.727 -12.466 -4.996 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.551 -13.461 -5.399 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.494 -11.625 -6.167 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.824 -13.295 -6.755 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.194 -12.172 -7.271 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.743 -10.452 -6.375 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.147 -11.571 -8.544 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.697 -9.850 -7.646 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.397 -10.410 -8.725 1.00 0.00 C ATOM 0 H TRP A 51 -7.557 -14.710 -2.353 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.482 -13.496 -4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -8.022 -12.310 -2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.720 -11.314 -3.505 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.934 -14.253 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.415 -13.922 -7.301 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.198 -10.011 -5.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.687 -12.006 -9.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.118 -8.950 -7.792 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.355 -9.941 -9.697 1.00 0.00 H new ATOM 727 N GLN A 52 -4.221 -12.504 -2.193 1.00 0.00 N ATOM 728 CA GLN A 52 -3.374 -12.076 -1.073 1.00 0.00 C ATOM 729 C GLN A 52 -3.342 -10.561 -0.980 1.00 0.00 C ATOM 730 O GLN A 52 -3.380 -9.866 -2.002 1.00 0.00 O ATOM 731 CB GLN A 52 -1.945 -12.607 -1.234 1.00 0.00 C ATOM 732 CG GLN A 52 -1.960 -14.139 -1.219 1.00 0.00 C ATOM 733 CD GLN A 52 -0.543 -14.681 -1.358 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.390 -14.142 -0.764 1.00 0.00 O ATOM 735 NE2 GLN A 52 -0.323 -15.725 -2.109 1.00 0.00 N ATOM 0 H GLN A 52 -3.802 -12.362 -3.112 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.801 -12.485 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.516 -12.247 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.314 -12.232 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.404 -14.496 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.581 -14.512 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.097 -16.171 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.623 -16.095 -2.204 1.00 0.00 H new ATOM 744 N MET A 53 -3.272 -10.054 0.250 1.00 0.00 N ATOM 745 CA MET A 53 -3.235 -8.616 0.493 1.00 0.00 C ATOM 746 C MET A 53 -2.078 -8.262 1.398 1.00 0.00 C ATOM 747 O MET A 53 -1.815 -8.961 2.379 1.00 0.00 O ATOM 748 CB MET A 53 -4.530 -8.155 1.158 1.00 0.00 C ATOM 749 CG MET A 53 -5.698 -8.353 0.206 1.00 0.00 C ATOM 750 SD MET A 53 -7.246 -7.970 1.071 1.00 0.00 S ATOM 751 CE MET A 53 -7.007 -6.183 1.216 1.00 0.00 C ATOM 0 H MET A 53 -3.240 -10.622 1.096 1.00 0.00 H new ATOM 0 HA MET A 53 -3.116 -8.118 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.698 -8.718 2.076 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.452 -7.105 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.585 -7.708 -0.665 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.716 -9.380 -0.158 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.854 -5.744 1.744 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.090 -5.982 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.933 -5.744 0.221 1.00 0.00 H new ATOM 761 N SER A 54 -1.438 -7.138 1.106 1.00 0.00 N ATOM 762 CA SER A 54 -0.357 -6.629 1.935 1.00 0.00 C ATOM 763 C SER A 54 -0.530 -5.143 2.146 1.00 0.00 C ATOM 764 O SER A 54 -0.782 -4.398 1.193 1.00 0.00 O ATOM 765 CB SER A 54 0.998 -6.920 1.299 1.00 0.00 C ATOM 766 OG SER A 54 1.227 -8.324 1.309 1.00 0.00 O ATOM 0 H SER A 54 -1.652 -6.558 0.294 1.00 0.00 H new ATOM 0 HA SER A 54 -0.392 -7.133 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.022 -6.543 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.788 -6.407 1.847 1.00 0.00 H new ATOM 0 HG SER A 54 2.089 -8.518 0.885 1.00 0.00 H new ATOM 772 N LEU A 55 -0.404 -4.717 3.396 1.00 0.00 N ATOM 773 CA LEU A 55 -0.562 -3.309 3.747 1.00 0.00 C ATOM 774 C LEU A 55 0.491 -2.885 4.749 1.00 0.00 C ATOM 775 O LEU A 55 1.002 -3.710 5.517 1.00 0.00 O ATOM 776 CB LEU A 55 -1.977 -3.043 4.308 1.00 0.00 C ATOM 777 CG LEU A 55 -2.259 -3.953 5.548 1.00 0.00 C ATOM 778 CD1 LEU A 55 -1.830 -3.235 6.841 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.766 -4.291 5.621 1.00 0.00 C ATOM 0 H LEU A 55 -0.192 -5.326 4.186 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.433 -2.717 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.070 -1.995 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.722 -3.232 3.535 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.686 -4.874 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.031 -3.878 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.764 -3.012 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.391 -2.306 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.955 -4.925 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.341 -3.370 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.065 -4.817 4.714 1.00 0.00 H new ATOM 791 N GLY A 56 0.821 -1.598 4.726 1.00 0.00 N ATOM 792 CA GLY A 56 1.820 -1.044 5.623 1.00 0.00 C ATOM 793 C GLY A 56 1.457 0.374 6.007 1.00 0.00 C ATOM 794 O GLY A 56 0.677 1.037 5.308 1.00 0.00 O ATOM 0 H GLY A 56 0.406 -0.917 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.896 -1.661 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.798 -1.058 5.142 1.00 0.00 H new ATOM 798 N THR A 57 1.997 0.826 7.134 1.00 0.00 N ATOM 799 CA THR A 57 1.706 2.167 7.641 1.00 0.00 C ATOM 800 C THR A 57 2.981 2.878 8.070 1.00 0.00 C ATOM 801 O THR A 57 3.986 2.235 8.388 1.00 0.00 O ATOM 802 CB THR A 57 0.735 2.086 8.832 1.00 0.00 C ATOM 803 OG1 THR A 57 1.334 1.342 9.884 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.571 1.405 8.402 1.00 0.00 C ATOM 0 H THR A 57 2.638 0.286 7.715 1.00 0.00 H new ATOM 0 HA THR A 57 1.245 2.738 6.835 1.00 0.00 H new ATOM 0 HB THR A 57 0.513 3.095 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.716 1.292 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.251 1.353 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.035 1.981 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.356 0.397 8.047 1.00 0.00 H new ATOM 812 N SER A 58 2.913 4.208 8.116 1.00 0.00 N ATOM 813 CA SER A 58 4.036 5.031 8.552 1.00 0.00 C ATOM 814 C SER A 58 4.319 4.790 10.032 1.00 0.00 C ATOM 815 O SER A 58 3.420 4.397 10.782 1.00 0.00 O ATOM 816 CB SER A 58 3.727 6.510 8.317 1.00 0.00 C ATOM 817 OG SER A 58 4.801 7.300 8.813 1.00 0.00 O ATOM 0 H SER A 58 2.083 4.740 7.854 1.00 0.00 H new ATOM 0 HA SER A 58 4.917 4.756 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.583 6.699 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.798 6.783 8.818 1.00 0.00 H new ATOM 0 HG SER A 58 4.976 8.040 8.194 1.00 0.00 H new ATOM 823 N GLU A 59 5.576 5.005 10.446 1.00 0.00 N ATOM 824 CA GLU A 59 5.965 4.807 11.852 1.00 0.00 C ATOM 825 C GLU A 59 5.102 5.678 12.791 1.00 0.00 C ATOM 826 O GLU A 59 4.802 5.276 13.919 1.00 0.00 O ATOM 827 CB GLU A 59 7.466 5.120 12.044 1.00 0.00 C ATOM 828 CG GLU A 59 7.754 6.582 11.671 1.00 0.00 C ATOM 829 CD GLU A 59 9.229 6.906 11.884 1.00 0.00 C ATOM 830 OE1 GLU A 59 9.749 6.544 12.924 1.00 0.00 O ATOM 831 OE2 GLU A 59 9.816 7.514 11.005 1.00 0.00 O ATOM 0 H GLU A 59 6.334 5.312 9.836 1.00 0.00 H new ATOM 0 HA GLU A 59 5.793 3.762 12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.754 4.938 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.066 4.454 11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.483 6.758 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.138 7.246 12.277 1.00 0.00 H new ATOM 838 N ASP A 60 4.652 6.838 12.282 1.00 0.00 N ATOM 839 CA ASP A 60 3.757 7.730 13.038 1.00 0.00 C ATOM 840 C ASP A 60 2.273 7.490 12.664 1.00 0.00 C ATOM 841 O ASP A 60 1.386 8.199 13.146 1.00 0.00 O ATOM 842 CB ASP A 60 4.112 9.202 12.781 1.00 0.00 C ATOM 843 CG ASP A 60 5.555 9.481 13.186 1.00 0.00 C ATOM 844 OD1 ASP A 60 6.419 9.376 12.333 1.00 0.00 O ATOM 845 OD2 ASP A 60 5.775 9.794 14.345 1.00 0.00 O ATOM 0 H ASP A 60 4.893 7.179 11.351 1.00 0.00 H new ATOM 0 HA ASP A 60 3.893 7.503 14.095 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.972 9.437 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.439 9.848 13.344 1.00 0.00 H new ATOM 850 N HIS A 61 2.020 6.503 11.778 1.00 0.00 N ATOM 851 CA HIS A 61 0.662 6.190 11.313 1.00 0.00 C ATOM 852 C HIS A 61 0.032 7.387 10.588 1.00 0.00 C ATOM 853 O HIS A 61 -1.192 7.535 10.550 1.00 0.00 O ATOM 854 CB HIS A 61 -0.212 5.743 12.493 1.00 0.00 C ATOM 855 CG HIS A 61 0.330 4.448 13.041 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.465 4.162 13.758 1.00 0.00 N flip ATOM 857 CD2 HIS A 61 -0.309 3.235 12.839 1.00 0.00 C flip ATOM 858 CE1 HIS A 61 1.532 2.793 14.000 1.00 0.00 C flip ATOM 859 NE2 HIS A 61 0.440 2.281 13.424 1.00 0.00 N flip ATOM 0 H HIS A 61 2.745 5.911 11.372 1.00 0.00 H new ATOM 0 HA HIS A 61 0.727 5.370 10.597 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.216 6.508 13.269 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.244 5.612 12.169 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.238 3.083 12.309 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.301 2.259 14.538 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.203 1.289 13.427 1.00 0.00 H new ATOM 867 N GLN A 62 0.893 8.211 9.973 1.00 0.00 N ATOM 868 CA GLN A 62 0.453 9.367 9.193 1.00 0.00 C ATOM 869 C GLN A 62 0.023 8.960 7.770 1.00 0.00 C ATOM 870 O GLN A 62 -0.836 9.605 7.168 1.00 0.00 O ATOM 871 CB GLN A 62 1.556 10.443 9.152 1.00 0.00 C ATOM 872 CG GLN A 62 2.828 9.878 8.515 1.00 0.00 C ATOM 873 CD GLN A 62 3.925 10.939 8.500 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.438 11.314 9.554 1.00 0.00 O ATOM 875 NE2 GLN A 62 4.314 11.452 7.366 1.00 0.00 N ATOM 0 H GLN A 62 1.906 8.093 10.004 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.422 9.790 9.687 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.210 11.307 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.771 10.791 10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.165 9.004 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.618 9.547 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.888 11.141 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.044 12.164 7.352 1.00 0.00 H new ATOM 884 N HIS A 63 0.610 7.862 7.257 1.00 0.00 N ATOM 885 CA HIS A 63 0.267 7.340 5.926 1.00 0.00 C ATOM 886 C HIS A 63 -0.209 5.894 6.009 1.00 0.00 C ATOM 887 O HIS A 63 0.372 5.079 6.732 1.00 0.00 O ATOM 888 CB HIS A 63 1.469 7.416 4.972 1.00 0.00 C ATOM 889 CG HIS A 63 1.740 8.839 4.575 1.00 0.00 C ATOM 890 ND1 HIS A 63 2.731 9.717 4.923 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 0.942 9.513 3.666 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.558 10.916 4.242 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 1.466 10.739 3.498 1.00 0.00 N flip ATOM 0 H HIS A 63 1.323 7.321 7.746 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.539 7.963 5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.350 6.993 5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.273 6.816 4.083 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.483 9.521 5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.059 9.124 3.180 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.175 11.800 4.302 1.00 0.00 H new ATOM 901 N PHE A 64 -1.245 5.574 5.227 1.00 0.00 N ATOM 902 CA PHE A 64 -1.784 4.210 5.164 1.00 0.00 C ATOM 903 C PHE A 64 -1.851 3.721 3.725 1.00 0.00 C ATOM 904 O PHE A 64 -2.293 4.451 2.843 1.00 0.00 O ATOM 905 CB PHE A 64 -3.185 4.164 5.782 1.00 0.00 C ATOM 906 CG PHE A 64 -3.104 4.465 7.257 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.179 5.786 7.708 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.958 3.420 8.173 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.106 6.059 9.080 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.884 3.693 9.542 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.958 5.013 9.996 1.00 0.00 C ATOM 0 H PHE A 64 -1.729 6.242 4.627 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.117 3.558 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.834 4.888 5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.629 3.181 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.293 6.594 7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.902 2.400 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.164 7.079 9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.770 2.884 10.249 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.901 5.225 11.053 1.00 0.00 H new ATOM 921 N THR A 65 -1.434 2.463 3.498 1.00 0.00 N ATOM 922 CA THR A 65 -1.486 1.874 2.152 1.00 0.00 C ATOM 923 C THR A 65 -1.936 0.415 2.190 1.00 0.00 C ATOM 924 O THR A 65 -1.492 -0.364 3.041 1.00 0.00 O ATOM 925 CB THR A 65 -0.122 1.994 1.446 1.00 0.00 C ATOM 926 OG1 THR A 65 -0.210 1.427 0.148 1.00 0.00 O ATOM 927 CG2 THR A 65 0.969 1.273 2.252 1.00 0.00 C ATOM 0 H THR A 65 -1.063 1.844 4.219 1.00 0.00 H new ATOM 0 HA THR A 65 -2.225 2.437 1.583 1.00 0.00 H new ATOM 0 HB THR A 65 0.142 3.049 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.090 1.624 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.925 1.369 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.044 1.720 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.713 0.218 2.348 1.00 0.00 H new ATOM 935 N CYS A 66 -2.794 0.051 1.232 1.00 0.00 N ATOM 936 CA CYS A 66 -3.289 -1.323 1.109 1.00 0.00 C ATOM 937 C CYS A 66 -3.141 -1.816 -0.332 1.00 0.00 C ATOM 938 O CYS A 66 -3.424 -1.076 -1.278 1.00 0.00 O ATOM 939 CB CYS A 66 -4.756 -1.403 1.555 1.00 0.00 C ATOM 940 SG CYS A 66 -4.884 -0.964 3.316 1.00 0.00 S ATOM 0 H CYS A 66 -3.161 0.692 0.528 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.694 -1.966 1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.366 -0.727 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.142 -2.409 1.392 1.00 0.00 H new ATOM 945 N THR A 67 -2.668 -3.061 -0.490 1.00 0.00 N ATOM 946 CA THR A 67 -2.451 -3.644 -1.826 1.00 0.00 C ATOM 947 C THR A 67 -3.144 -5.004 -1.951 1.00 0.00 C ATOM 948 O THR A 67 -3.116 -5.819 -1.024 1.00 0.00 O ATOM 949 CB THR A 67 -0.941 -3.764 -2.110 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.342 -2.483 -1.972 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.695 -4.276 -3.541 1.00 0.00 C ATOM 0 H THR A 67 -2.429 -3.681 0.284 1.00 0.00 H new ATOM 0 HA THR A 67 -2.893 -2.981 -2.570 1.00 0.00 H new ATOM 0 HB THR A 67 -0.506 -4.470 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.619 -2.551 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.377 -4.353 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.155 -5.257 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.133 -3.581 -4.257 1.00 0.00 H new ATOM 959 N ILE A 68 -3.816 -5.202 -3.087 1.00 0.00 N ATOM 960 CA ILE A 68 -4.595 -6.432 -3.336 1.00 0.00 C ATOM 961 C ILE A 68 -4.221 -7.047 -4.689 1.00 0.00 C ATOM 962 O ILE A 68 -4.386 -6.405 -5.728 1.00 0.00 O ATOM 963 CB ILE A 68 -6.131 -6.122 -3.336 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.485 -5.034 -2.256 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.940 -7.418 -3.074 1.00 0.00 C ATOM 966 CD1 ILE A 68 -6.366 -3.625 -2.874 1.00 0.00 C ATOM 0 H ILE A 68 -3.841 -4.530 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.361 -7.136 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.399 -5.729 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.497 -5.194 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.814 -5.124 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.006 -7.189 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.724 -8.146 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.660 -7.832 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.612 -2.876 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.346 -3.466 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.056 -3.536 -3.713 1.00 0.00 H new ATOM 978 N TRP A 69 -3.775 -8.314 -4.673 1.00 0.00 N ATOM 979 CA TRP A 69 -3.448 -9.030 -5.917 1.00 0.00 C ATOM 980 C TRP A 69 -3.596 -10.543 -5.724 1.00 0.00 C ATOM 981 O TRP A 69 -3.616 -11.030 -4.586 1.00 0.00 O ATOM 982 CB TRP A 69 -2.009 -8.675 -6.406 1.00 0.00 C ATOM 983 CG TRP A 69 -0.966 -9.267 -5.499 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.288 -10.412 -5.742 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.502 -8.778 -4.225 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.578 -10.645 -4.693 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.481 -9.664 -3.730 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.833 -7.656 -3.457 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.113 -9.448 -2.515 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.197 -7.430 -2.226 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.775 -8.330 -1.758 1.00 0.00 C ATOM 0 H TRP A 69 -3.634 -8.859 -3.822 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.152 -8.711 -6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.865 -9.046 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.891 -7.592 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.405 -11.040 -6.613 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.211 -11.443 -4.637 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.580 -6.962 -3.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.861 -10.141 -2.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.456 -6.562 -1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.261 -8.154 -0.810 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.657 -11.281 -6.839 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.750 -12.738 -6.779 1.00 0.00 C ATOM 1004 C ARG A 70 -2.345 -13.395 -6.960 1.00 0.00 C ATOM 1005 O ARG A 70 -1.455 -12.787 -7.559 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.746 -13.261 -7.828 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.225 -12.973 -9.226 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.325 -13.195 -10.244 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.906 -12.679 -11.557 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.856 -11.348 -11.847 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.110 -10.439 -10.928 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -4.559 -10.963 -13.057 1.00 0.00 N ATOM 0 H ARG A 70 -3.644 -10.895 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.121 -13.016 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.893 -14.333 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.717 -12.787 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.866 -11.946 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.377 -13.621 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.554 -14.258 -10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.237 -12.694 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.641 -13.346 -12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.349 -10.726 -9.979 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.067 -9.448 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.366 -11.656 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.520 -9.969 -13.281 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.131 -14.607 -6.428 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.803 -15.318 -6.518 1.00 0.00 C ATOM 1028 C PRO A 71 -0.531 -15.945 -7.892 1.00 0.00 C ATOM 1029 O PRO A 71 0.619 -15.995 -8.341 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.951 -16.413 -5.478 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.403 -16.743 -5.512 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.119 -15.433 -5.688 1.00 0.00 C ATOM 0 HA PRO A 71 0.030 -14.632 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.338 -17.281 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.642 -16.071 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.629 -17.425 -6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.713 -17.237 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.046 -15.552 -6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.382 -14.985 -4.730 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.586 -16.476 -8.518 1.00 0.00 N ATOM 1041 CA GLN A 72 -1.455 -17.172 -9.809 1.00 0.00 C ATOM 1042 C GLN A 72 -1.014 -16.230 -10.918 1.00 0.00 C ATOM 1043 O GLN A 72 -0.244 -16.610 -11.806 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.782 -17.832 -10.189 1.00 0.00 C ATOM 1045 CG GLN A 72 -3.057 -19.020 -9.257 1.00 0.00 C ATOM 1046 CD GLN A 72 -4.465 -19.576 -9.499 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -5.378 -18.836 -9.876 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -4.694 -20.846 -9.302 1.00 0.00 N ATOM 0 H GLN A 72 -2.539 -16.439 -8.156 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.686 -17.935 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.593 -17.107 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.747 -18.171 -11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.317 -19.802 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.957 -18.706 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.940 -21.458 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.627 -21.226 -9.460 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.552 -15.027 -10.882 1.00 0.00 N ATOM 1058 CA GLY A 73 -1.287 -14.013 -11.903 1.00 0.00 C ATOM 1059 C GLY A 73 -2.457 -13.918 -12.889 1.00 0.00 C ATOM 1060 O GLY A 73 -2.743 -12.841 -13.414 1.00 0.00 O ATOM 0 H GLY A 73 -2.187 -14.717 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.126 -13.045 -11.428 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.372 -14.261 -12.440 1.00 0.00 H new ATOM 1064 N LYS A 74 -3.171 -15.045 -13.084 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.359 -15.071 -13.939 1.00 0.00 C ATOM 1066 C LYS A 74 -5.430 -15.995 -13.361 1.00 0.00 C ATOM 1067 O LYS A 74 -5.209 -17.202 -13.223 1.00 0.00 O ATOM 1068 CB LYS A 74 -4.000 -15.513 -15.371 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.240 -16.857 -15.361 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.704 -17.162 -16.769 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.853 -17.592 -17.691 1.00 0.00 C ATOM 1072 NZ LYS A 74 -3.308 -17.940 -19.034 1.00 0.00 N ATOM 0 H LYS A 74 -2.941 -15.943 -12.659 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.758 -14.057 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.909 -15.610 -15.964 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.388 -14.748 -15.849 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.415 -16.814 -14.649 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.903 -17.658 -15.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.211 -16.280 -17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.954 -17.951 -16.718 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.374 -18.449 -17.265 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.583 -16.787 -17.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.086 -18.232 -19.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.830 -17.111 -19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.628 -18.721 -18.941 1.00 0.00 H new ATOM 1086 N SER A 75 -6.608 -15.428 -13.066 1.00 0.00 N ATOM 1087 CA SER A 75 -7.742 -16.217 -12.553 1.00 0.00 C ATOM 1088 C SER A 75 -8.912 -16.156 -13.537 1.00 0.00 C ATOM 1089 O SER A 75 -9.453 -15.081 -13.788 1.00 0.00 O ATOM 1090 CB SER A 75 -8.181 -15.687 -11.186 1.00 0.00 C ATOM 1091 OG SER A 75 -9.345 -16.385 -10.762 1.00 0.00 O ATOM 0 H SER A 75 -6.802 -14.432 -13.172 1.00 0.00 H new ATOM 0 HA SER A 75 -7.425 -17.254 -12.443 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.380 -15.817 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.386 -14.618 -11.246 1.00 0.00 H new ATOM 0 HG SER A 75 -9.197 -17.350 -10.848 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.284 -17.315 -14.114 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.360 -17.349 -15.115 1.00 0.00 C ATOM 1099 C TYR A 76 -11.743 -17.191 -14.463 1.00 0.00 C ATOM 1100 O TYR A 76 -12.427 -18.177 -14.162 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.293 -18.658 -15.921 1.00 0.00 C ATOM 1102 CG TYR A 76 -11.211 -18.564 -17.122 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.761 -17.952 -18.299 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -12.509 -19.085 -17.056 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -11.610 -17.862 -19.409 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -13.356 -18.996 -18.166 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.906 -18.384 -19.342 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.742 -18.294 -20.436 1.00 0.00 O ATOM 0 H TYR A 76 -8.863 -18.221 -13.908 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.216 -16.506 -15.791 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.270 -18.844 -16.247 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.585 -19.499 -15.292 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.760 -17.550 -18.350 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.856 -19.556 -16.148 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.264 -17.390 -20.317 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.357 -19.399 -18.116 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.605 -18.706 -20.223 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.157 -15.933 -14.304 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.474 -15.598 -13.759 1.00 0.00 C ATOM 1120 C LEU A 77 -14.045 -14.384 -14.489 1.00 0.00 C ATOM 1121 O LEU A 77 -13.283 -13.512 -14.926 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.373 -15.316 -12.254 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.070 -16.616 -11.486 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.632 -16.269 -10.057 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.338 -17.506 -11.424 1.00 0.00 C ATOM 0 H LEU A 77 -11.591 -15.120 -14.548 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.143 -16.446 -13.907 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.588 -14.583 -12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.306 -14.882 -11.895 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.276 -17.157 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.416 -17.187 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.737 -15.648 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.431 -15.725 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.113 -18.423 -10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.136 -16.967 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.658 -17.755 -12.436 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.383 -14.307 -14.597 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.020 -13.165 -15.250 1.00 0.00 C ATOM 1139 C TYR A 78 -16.467 -12.157 -14.198 1.00 0.00 C ATOM 1140 O TYR A 78 -17.563 -12.264 -13.647 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.217 -13.634 -16.081 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.679 -12.522 -16.994 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.107 -12.381 -18.264 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.679 -11.637 -16.574 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.535 -11.356 -19.115 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.106 -10.610 -17.426 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.534 -10.470 -18.696 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.956 -9.459 -19.536 1.00 0.00 O ATOM 0 H TYR A 78 -16.030 -15.013 -14.245 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.303 -12.687 -15.917 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.941 -14.509 -16.670 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.031 -13.937 -15.423 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.335 -13.064 -18.587 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.121 -11.746 -15.595 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.094 -11.249 -20.095 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.877 -9.926 -17.103 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.655 -8.935 -19.092 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.593 -11.189 -13.910 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.874 -10.170 -12.896 1.00 0.00 C ATOM 1160 C PHE A 79 -16.821 -9.118 -13.435 1.00 0.00 C ATOM 1161 O PHE A 79 -16.605 -8.583 -14.525 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.573 -9.491 -12.448 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.743 -10.443 -11.615 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.805 -11.278 -12.229 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.908 -10.481 -10.226 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -12.032 -12.152 -11.453 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.137 -11.356 -9.451 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.199 -12.191 -10.065 1.00 0.00 C ATOM 0 H PHE A 79 -14.685 -11.090 -14.365 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.340 -10.667 -12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.004 -9.169 -13.320 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.802 -8.596 -11.869 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.676 -11.250 -13.301 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.631 -9.835 -9.751 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.306 -12.796 -11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.267 -11.386 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.604 -12.866 -9.468 1.00 0.00 H new ATOM 1178 N THR A 80 -17.849 -8.787 -12.644 1.00 0.00 N ATOM 1179 CA THR A 80 -18.795 -7.739 -13.033 1.00 0.00 C ATOM 1180 C THR A 80 -18.123 -6.373 -12.888 1.00 0.00 C ATOM 1181 O THR A 80 -18.231 -5.518 -13.770 1.00 0.00 O ATOM 1182 CB THR A 80 -20.068 -7.816 -12.163 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.654 -9.102 -12.309 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.084 -6.751 -12.611 1.00 0.00 C ATOM 0 H THR A 80 -18.044 -9.224 -11.743 1.00 0.00 H new ATOM 0 HA THR A 80 -19.089 -7.883 -14.073 1.00 0.00 H new ATOM 0 HB THR A 80 -19.798 -7.639 -11.122 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.462 -9.158 -11.757 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.977 -6.816 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.642 -5.760 -12.508 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.354 -6.921 -13.653 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.398 -6.199 -11.775 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.659 -4.965 -11.499 1.00 0.00 C ATOM 1194 C GLN A 81 -15.939 -5.065 -10.165 1.00 0.00 C ATOM 1195 O GLN A 81 -16.155 -6.014 -9.404 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.583 -3.725 -11.522 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.719 -3.888 -10.501 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.697 -2.724 -10.619 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.293 -1.563 -10.566 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -20.970 -2.968 -10.774 1.00 0.00 N ATOM 0 H GLN A 81 -17.309 -6.907 -11.046 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.921 -4.840 -12.292 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.006 -2.829 -11.294 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.999 -3.591 -12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.240 -4.830 -10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.309 -3.929 -9.492 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.303 -3.931 -10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.632 -2.196 -10.851 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.094 -4.081 -9.886 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.336 -4.044 -8.634 1.00 0.00 C ATOM 1211 C PHE A 82 -14.166 -2.632 -8.146 1.00 0.00 C ATOM 1212 O PHE A 82 -14.133 -1.693 -8.950 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.968 -4.703 -8.803 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.210 -4.072 -9.960 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.455 -2.914 -9.759 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.277 -4.653 -11.231 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.769 -2.335 -10.830 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.592 -4.079 -12.299 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.838 -2.920 -12.101 1.00 0.00 C ATOM 0 H PHE A 82 -14.913 -3.294 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.905 -4.603 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.392 -4.599 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.092 -5.771 -8.982 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.402 -2.467 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.861 -5.548 -11.384 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.187 -1.438 -10.678 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.644 -4.529 -13.279 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.307 -2.474 -12.929 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.104 -2.475 -6.821 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.004 -1.146 -6.225 1.00 0.00 C ATOM 1231 C LYS A 83 -13.156 -1.174 -4.961 1.00 0.00 C ATOM 1232 O LYS A 83 -13.120 -2.186 -4.250 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.412 -0.599 -5.907 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.295 -0.699 -7.166 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.588 0.085 -6.970 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.440 -0.041 -8.231 1.00 0.00 C ATOM 1237 NZ LYS A 83 -19.690 0.752 -8.069 1.00 0.00 N ATOM 0 H LYS A 83 -14.121 -3.243 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.518 -0.487 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.859 -1.166 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.346 0.438 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.754 -0.311 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.524 -1.744 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.133 -0.297 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.366 1.133 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.881 0.314 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.682 -1.088 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.315 0.585 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.174 0.462 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.455 1.764 -8.015 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.497 -0.050 -4.673 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.664 0.072 -3.481 1.00 0.00 C ATOM 1253 C ALA A 84 -11.797 1.462 -2.882 1.00 0.00 C ATOM 1254 O ALA A 84 -11.841 2.458 -3.611 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.202 -0.199 -3.833 1.00 0.00 C ATOM 0 H ALA A 84 -12.526 0.789 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.999 -0.662 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.589 -0.105 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.105 -1.207 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.867 0.522 -4.578 1.00 0.00 H new ATOM 1261 N GLU A 85 -11.861 1.525 -1.546 1.00 0.00 N ATOM 1262 CA GLU A 85 -11.988 2.801 -0.846 1.00 0.00 C ATOM 1263 C GLU A 85 -11.386 2.704 0.552 1.00 0.00 C ATOM 1264 O GLU A 85 -11.105 1.610 1.028 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.469 3.232 -0.785 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.303 2.187 -0.017 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.770 2.618 0.048 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.016 3.791 0.288 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.624 1.768 -0.143 1.00 0.00 O ATOM 0 H GLU A 85 -11.827 0.709 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.436 3.562 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.552 4.203 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.862 3.349 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.224 1.217 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.908 2.067 0.992 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.178 3.857 1.196 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.590 3.893 2.545 1.00 0.00 C ATOM 1278 C VAL A 86 -11.447 4.713 3.495 1.00 0.00 C ATOM 1279 O VAL A 86 -12.216 5.576 3.062 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.157 4.462 2.507 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.263 3.547 1.668 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.160 5.873 1.889 1.00 0.00 C ATOM 0 H VAL A 86 -11.405 4.774 0.811 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.550 2.867 2.912 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.775 4.518 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.251 3.951 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.245 2.551 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.655 3.486 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.142 6.263 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.551 5.824 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.789 6.531 2.488 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.299 4.443 4.797 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.057 5.165 5.823 1.00 0.00 C ATOM 1294 C ARG A 87 -11.131 5.707 6.901 1.00 0.00 C ATOM 1295 O ARG A 87 -10.111 5.086 7.233 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.120 4.252 6.457 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.110 3.745 5.385 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.014 4.889 4.898 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.812 5.424 6.017 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.965 4.849 6.448 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.449 3.764 5.872 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.606 5.380 7.451 1.00 0.00 N ATOM 0 H ARG A 87 -10.664 3.733 5.163 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.557 6.004 5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.636 3.405 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.661 4.797 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.559 3.326 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.721 2.942 5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.406 5.683 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.676 4.528 4.111 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.483 6.266 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.955 3.340 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.317 3.350 6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.241 6.218 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.473 4.957 7.784 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.490 6.879 7.436 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.690 7.538 8.472 1.00 0.00 C ATOM 1318 C GLY A 88 -9.496 8.316 7.876 1.00 0.00 C ATOM 1319 O GLY A 88 -8.679 8.863 8.621 1.00 0.00 O ATOM 0 H GLY A 88 -12.331 7.391 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.322 8.223 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.321 6.791 9.175 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.392 8.341 6.531 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.289 9.018 5.852 1.00 0.00 C ATOM 1325 C ALA A 89 -8.695 9.463 4.453 1.00 0.00 C ATOM 1326 O ALA A 89 -9.733 9.040 3.933 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.079 8.082 5.759 1.00 0.00 C ATOM 0 H ALA A 89 -10.062 7.898 5.902 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.027 9.902 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.261 8.594 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.762 7.797 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.352 7.189 5.197 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.842 10.283 3.838 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.067 10.755 2.473 1.00 0.00 C ATOM 1335 C GLU A 90 -7.144 10.008 1.518 1.00 0.00 C ATOM 1336 O GLU A 90 -6.067 9.562 1.919 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.831 12.279 2.376 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.392 12.633 2.821 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.150 14.152 2.752 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.104 14.906 2.908 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -5.011 14.537 2.543 1.00 0.00 O ATOM 0 H GLU A 90 -6.986 10.635 4.266 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.103 10.558 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.994 12.614 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.552 12.805 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.225 12.281 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.673 12.118 2.184 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.592 9.825 0.276 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.815 9.068 -0.716 1.00 0.00 C ATOM 1350 C ILE A 91 -5.842 9.987 -1.458 1.00 0.00 C ATOM 1351 O ILE A 91 -6.252 10.978 -2.071 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.768 8.352 -1.720 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.708 7.402 -0.941 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.940 7.522 -2.732 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.853 6.919 -1.847 1.00 0.00 C ATOM 0 H ILE A 91 -8.481 10.186 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.233 8.310 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.352 9.101 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.144 6.546 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.116 7.917 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.612 7.024 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.269 8.182 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.355 6.774 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.505 6.251 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.427 7.777 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.439 6.386 -2.703 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.557 9.617 -1.424 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.520 10.371 -2.125 1.00 0.00 C ATOM 1369 C GLU A 92 -3.478 9.959 -3.589 1.00 0.00 C ATOM 1370 O GLU A 92 -3.363 10.806 -4.480 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.151 10.113 -1.490 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.145 10.601 -0.042 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.773 10.363 0.576 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.286 9.249 0.481 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.228 11.299 1.134 1.00 0.00 O ATOM 0 H GLU A 92 -4.214 8.800 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.756 11.433 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.920 9.048 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.375 10.626 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.392 11.662 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.909 10.076 0.532 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.606 8.646 -3.827 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.621 8.106 -5.178 1.00 0.00 C ATOM 1384 C TYR A 93 -4.049 6.645 -5.160 1.00 0.00 C ATOM 1385 O TYR A 93 -3.492 5.836 -4.411 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.234 8.229 -5.812 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.345 8.124 -7.320 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.538 9.281 -8.086 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.258 6.876 -7.948 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.644 9.190 -9.479 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -2.365 6.788 -9.343 1.00 0.00 C ATOM 1392 CZ TYR A 93 -2.557 7.945 -10.107 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.662 7.856 -11.480 1.00 0.00 O ATOM 0 H TYR A 93 -3.700 7.943 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.336 8.678 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.782 9.182 -5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.580 7.445 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.605 10.244 -7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.109 5.983 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.793 10.083 -10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.299 5.826 -9.829 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.579 6.919 -11.754 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.021 6.312 -6.004 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.517 4.942 -6.117 1.00 0.00 C ATOM 1405 C ALA A 94 -5.457 4.481 -7.567 1.00 0.00 C ATOM 1406 O ALA A 94 -5.912 5.190 -8.470 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.957 4.858 -5.605 1.00 0.00 C ATOM 0 H ALA A 94 -5.484 6.976 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.887 4.292 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.316 3.833 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.990 5.164 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.592 5.517 -6.196 1.00 0.00 H new ATOM 1413 N MET A 95 -4.881 3.295 -7.781 1.00 0.00 N ATOM 1414 CA MET A 95 -4.743 2.737 -9.126 1.00 0.00 C ATOM 1415 C MET A 95 -4.588 1.221 -9.079 1.00 0.00 C ATOM 1416 O MET A 95 -4.333 0.651 -8.019 1.00 0.00 O ATOM 1417 CB MET A 95 -3.544 3.379 -9.855 1.00 0.00 C ATOM 1418 CG MET A 95 -2.236 3.083 -9.100 1.00 0.00 C ATOM 1419 SD MET A 95 -0.839 3.802 -10.000 1.00 0.00 S ATOM 1420 CE MET A 95 -0.844 2.644 -11.390 1.00 0.00 C ATOM 0 H MET A 95 -4.504 2.704 -7.040 1.00 0.00 H new ATOM 0 HA MET A 95 -5.653 2.965 -9.681 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.480 2.993 -10.872 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.691 4.456 -9.932 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.284 3.497 -8.093 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.100 2.007 -8.996 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.156 2.586 -11.819 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.147 1.657 -11.040 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.545 2.991 -12.150 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.732 0.583 -10.240 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.596 -0.860 -10.350 1.00 0.00 C ATOM 1432 C ALA A 96 -3.746 -1.195 -11.570 1.00 0.00 C ATOM 1433 O ALA A 96 -3.673 -0.400 -12.498 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.982 -1.493 -10.476 1.00 0.00 C ATOM 0 H ALA A 96 -4.944 1.051 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.108 -1.256 -9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.882 -2.575 -10.559 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.575 -1.250 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.479 -1.106 -11.365 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.080 -2.358 -11.552 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.214 -2.761 -12.681 1.00 0.00 C ATOM 1442 C TYR A 97 -2.803 -3.947 -13.444 1.00 0.00 C ATOM 1443 O TYR A 97 -2.871 -5.061 -12.918 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.819 -3.125 -12.178 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.165 -1.916 -11.548 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.202 -1.746 -10.158 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.475 -0.969 -12.352 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.401 -0.629 -9.576 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.079 0.150 -11.768 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.042 0.321 -10.379 1.00 0.00 C ATOM 1451 OH TYR A 97 1.636 1.425 -9.803 1.00 0.00 O ATOM 0 H TYR A 97 -3.119 -3.029 -10.785 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.148 -1.911 -13.361 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.885 -3.934 -11.450 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.209 -3.489 -13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.696 -2.478 -9.537 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.503 -1.101 -13.424 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.373 -0.498 -8.504 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.574 0.882 -12.389 1.00 0.00 H new ATOM 0 HH TYR A 97 2.036 1.983 -10.502 1.00 0.00 H new ATOM 1461 N SER A 98 -3.200 -3.701 -14.700 1.00 0.00 N ATOM 1462 CA SER A 98 -3.756 -4.753 -15.562 1.00 0.00 C ATOM 1463 C SER A 98 -2.703 -5.805 -15.867 1.00 0.00 C ATOM 1464 O SER A 98 -2.994 -7.005 -15.897 1.00 0.00 O ATOM 1465 CB SER A 98 -4.263 -4.158 -16.879 1.00 0.00 C ATOM 1466 OG SER A 98 -5.351 -3.283 -16.625 1.00 0.00 O ATOM 0 H SER A 98 -3.146 -2.783 -15.142 1.00 0.00 H new ATOM 0 HA SER A 98 -4.587 -5.216 -15.030 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.459 -3.617 -17.378 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.576 -4.956 -17.552 1.00 0.00 H new ATOM 0 HG SER A 98 -5.567 -2.784 -17.441 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.481 -5.334 -16.121 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.367 -6.209 -16.460 1.00 0.00 C ATOM 1474 C LYS A 99 0.948 -5.619 -15.964 1.00 0.00 C ATOM 1475 O LYS A 99 1.147 -4.401 -15.998 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.308 -6.431 -17.990 1.00 0.00 C ATOM 1477 CG LYS A 99 0.814 -7.435 -18.361 1.00 0.00 C ATOM 1478 CD LYS A 99 0.449 -8.850 -17.881 1.00 0.00 C ATOM 1479 CE LYS A 99 1.525 -9.838 -18.336 1.00 0.00 C ATOM 1480 NZ LYS A 99 1.165 -11.210 -17.883 1.00 0.00 N ATOM 0 H LYS A 99 -1.241 -4.343 -16.097 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.522 -7.170 -15.970 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.268 -6.806 -18.344 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.131 -5.480 -18.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.965 -7.438 -19.440 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.755 -7.122 -17.908 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.362 -8.866 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.521 -9.143 -18.283 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.619 -9.815 -19.422 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.494 -9.551 -17.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.897 -11.881 -18.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.097 -11.226 -16.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.249 -11.482 -18.294 1.00 0.00 H new ATOM 1494 N ALA A 100 1.842 -6.498 -15.527 1.00 0.00 N ATOM 1495 CA ALA A 100 3.155 -6.090 -15.042 1.00 0.00 C ATOM 1496 C ALA A 100 4.101 -5.870 -16.214 1.00 0.00 C ATOM 1497 O ALA A 100 3.938 -6.480 -17.277 1.00 0.00 O ATOM 1498 CB ALA A 100 3.727 -7.157 -14.107 1.00 0.00 C ATOM 0 H ALA A 100 1.680 -7.505 -15.499 1.00 0.00 H new ATOM 0 HA ALA A 100 3.049 -5.156 -14.491 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.708 -6.841 -13.751 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.059 -7.292 -13.257 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.823 -8.100 -14.646 1.00 0.00 H new ATOM 1599 N ASP A 107 4.896 -1.626 -18.084 1.00 0.00 N ATOM 1600 CA ASP A 107 3.809 -1.851 -17.130 1.00 0.00 C ATOM 1601 C ASP A 107 2.579 -1.047 -17.544 1.00 0.00 C ATOM 1602 O ASP A 107 2.656 0.177 -17.691 1.00 0.00 O ATOM 1603 CB ASP A 107 4.259 -1.433 -15.730 1.00 0.00 C ATOM 1604 CG ASP A 107 3.154 -1.710 -14.715 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.839 -2.871 -14.514 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.642 -0.757 -14.156 1.00 0.00 O ATOM 0 HA ASP A 107 3.552 -2.910 -17.122 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.162 -1.977 -15.453 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.511 -0.373 -15.723 1.00 0.00 H new ATOM 1611 N VAL A 108 1.449 -1.744 -17.762 1.00 0.00 N ATOM 1612 CA VAL A 108 0.214 -1.078 -18.199 1.00 0.00 C ATOM 1613 C VAL A 108 -0.748 -0.861 -16.987 1.00 0.00 C ATOM 1614 O VAL A 108 -1.356 -1.826 -16.515 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.493 -1.937 -19.286 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -1.773 -1.233 -19.774 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.446 -2.137 -20.485 1.00 0.00 C ATOM 0 H VAL A 108 1.368 -2.754 -17.644 1.00 0.00 H new ATOM 0 HA VAL A 108 0.472 -0.106 -18.619 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.751 -2.902 -18.849 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.258 -1.845 -20.535 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.453 -1.092 -18.934 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.515 -0.263 -20.199 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.055 -2.739 -21.243 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.708 -1.167 -20.907 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.352 -2.647 -20.157 1.00 0.00 H new ATOM 1627 N PRO A 109 -0.937 0.395 -16.506 1.00 0.00 N ATOM 1628 CA PRO A 109 -1.886 0.688 -15.387 1.00 0.00 C ATOM 1629 C PRO A 109 -3.328 0.837 -15.877 1.00 0.00 C ATOM 1630 O PRO A 109 -3.565 1.185 -17.039 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.363 2.007 -14.838 1.00 0.00 C ATOM 1632 CG PRO A 109 -0.854 2.729 -16.039 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.272 1.655 -16.966 1.00 0.00 C ATOM 0 HA PRO A 109 -1.923 -0.114 -14.649 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.151 2.571 -14.339 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.572 1.847 -14.105 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.656 3.277 -16.533 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.093 3.458 -15.762 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.493 1.866 -18.012 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.812 1.592 -16.876 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.280 0.611 -14.970 1.00 0.00 N ATOM 1642 CA LEU A 110 -5.708 0.763 -15.282 1.00 0.00 C ATOM 1643 C LEU A 110 -6.067 2.231 -15.435 1.00 0.00 C ATOM 1644 O LEU A 110 -5.442 3.102 -14.817 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.595 0.152 -14.167 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.851 -1.345 -14.442 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -5.637 -2.168 -14.037 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.078 -1.822 -13.652 1.00 0.00 C ATOM 0 H LEU A 110 -4.090 0.321 -14.011 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.892 0.235 -16.218 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.108 0.272 -13.199 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.544 0.686 -14.115 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.034 -1.477 -15.508 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.829 -3.222 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.769 -1.843 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.441 -2.029 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.251 -2.879 -13.852 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.903 -1.678 -12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.953 -1.247 -13.956 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.118 2.489 -16.214 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.619 3.840 -16.402 1.00 0.00 C ATOM 1662 C LYS A 111 -8.535 4.203 -15.229 1.00 0.00 C ATOM 1663 O LYS A 111 -9.463 3.457 -14.902 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.378 3.921 -17.735 1.00 0.00 C ATOM 1665 CG LYS A 111 -8.781 5.375 -18.031 1.00 0.00 C ATOM 1666 CD LYS A 111 -9.279 5.502 -19.489 1.00 0.00 C ATOM 1667 CE LYS A 111 -10.645 4.810 -19.654 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.132 5.000 -21.050 1.00 0.00 N ATOM 0 H LYS A 111 -7.636 1.774 -16.724 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.791 4.549 -16.432 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.753 3.538 -18.541 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.267 3.291 -17.694 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.564 5.691 -17.342 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.930 6.036 -17.870 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.362 6.554 -19.761 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.553 5.054 -20.168 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.556 3.747 -19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.363 5.226 -18.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.054 4.533 -21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.232 6.016 -21.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.450 4.584 -21.715 1.00 0.00 H new ATOM 1682 N THR A 112 -8.234 5.328 -14.573 1.00 0.00 N ATOM 1683 CA THR A 112 -8.997 5.773 -13.392 1.00 0.00 C ATOM 1684 C THR A 112 -10.434 6.195 -13.748 1.00 0.00 C ATOM 1685 O THR A 112 -11.312 6.222 -12.880 1.00 0.00 O ATOM 1686 CB THR A 112 -8.259 6.929 -12.686 1.00 0.00 C ATOM 1687 OG1 THR A 112 -8.983 7.316 -11.526 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.119 8.133 -13.633 1.00 0.00 C ATOM 0 H THR A 112 -7.469 5.950 -14.836 1.00 0.00 H new ATOM 0 HA THR A 112 -9.070 4.922 -12.715 1.00 0.00 H new ATOM 0 HB THR A 112 -7.263 6.590 -12.401 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.513 8.049 -11.077 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.596 8.940 -13.120 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.553 7.837 -14.516 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.109 8.476 -13.935 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.647 6.550 -15.015 1.00 0.00 N ATOM 1697 CA GLU A 113 -11.954 7.008 -15.490 1.00 0.00 C ATOM 1698 C GLU A 113 -13.027 5.915 -15.394 1.00 0.00 C ATOM 1699 O GLU A 113 -14.221 6.223 -15.376 1.00 0.00 O ATOM 1700 CB GLU A 113 -11.846 7.499 -16.932 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.039 8.805 -16.965 1.00 0.00 C ATOM 1702 CD GLU A 113 -10.728 9.242 -18.413 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -10.756 8.397 -19.304 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -10.467 10.418 -18.606 1.00 0.00 O ATOM 0 H GLU A 113 -9.926 6.529 -15.736 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.262 7.828 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.362 6.743 -17.550 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.840 7.662 -17.348 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.598 9.592 -16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.107 8.672 -16.416 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.602 4.640 -15.382 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.558 3.519 -15.339 1.00 0.00 C ATOM 1713 C GLU A 114 -14.350 3.461 -14.021 1.00 0.00 C ATOM 1714 O GLU A 114 -15.423 2.847 -13.973 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.854 2.180 -15.603 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.313 2.144 -17.052 1.00 0.00 C ATOM 1717 CD GLU A 114 -13.448 2.298 -18.082 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -14.545 1.844 -17.805 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -13.193 2.869 -19.130 1.00 0.00 O ATOM 0 H GLU A 114 -11.621 4.362 -15.401 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.279 3.700 -16.136 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.035 2.045 -14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.550 1.356 -15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.585 2.943 -17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.790 1.203 -17.223 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.831 4.104 -12.965 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.516 4.119 -11.662 1.00 0.00 C ATOM 1728 C PHE A 115 -14.141 5.349 -10.824 1.00 0.00 C ATOM 1729 O PHE A 115 -13.157 6.035 -11.109 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.238 2.821 -10.881 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.752 2.679 -10.603 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.206 3.204 -9.426 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.927 2.024 -11.526 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -10.836 3.074 -9.171 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.557 1.894 -11.270 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.012 2.419 -10.093 1.00 0.00 C ATOM 0 H PHE A 115 -12.949 4.616 -12.985 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.585 4.181 -11.864 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.791 2.829 -9.942 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.591 1.963 -11.452 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -12.842 3.710 -8.714 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.348 1.619 -12.435 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.415 3.479 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.920 1.388 -11.981 1.00 0.00 H new ATOM 0 HZ PHE A 115 -8.955 2.319 -9.896 1.00 0.00 H new ATOM 1746 N GLU A 116 -14.960 5.622 -9.802 1.00 0.00 N ATOM 1747 CA GLU A 116 -14.760 6.774 -8.918 1.00 0.00 C ATOM 1748 C GLU A 116 -14.641 6.318 -7.452 1.00 0.00 C ATOM 1749 O GLU A 116 -15.487 5.566 -6.958 1.00 0.00 O ATOM 1750 CB GLU A 116 -15.951 7.741 -9.069 1.00 0.00 C ATOM 1751 CG GLU A 116 -15.764 8.985 -8.173 1.00 0.00 C ATOM 1752 CD GLU A 116 -14.564 9.838 -8.640 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.166 9.717 -9.794 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.064 10.601 -7.829 1.00 0.00 O ATOM 0 H GLU A 116 -15.774 5.055 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.835 7.279 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.046 8.048 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.876 7.230 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.671 9.589 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.610 8.672 -7.140 1.00 0.00 H new ATOM 1761 N VAL A 117 -13.610 6.820 -6.754 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.412 6.503 -5.329 1.00 0.00 C ATOM 1763 C VAL A 117 -13.214 7.781 -4.501 1.00 0.00 C ATOM 1764 O VAL A 117 -12.596 8.743 -4.966 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.204 5.559 -5.142 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.471 4.235 -5.861 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -10.930 6.202 -5.719 1.00 0.00 C ATOM 0 H VAL A 117 -12.905 7.443 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.311 5.998 -4.974 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.062 5.378 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.618 3.570 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.363 3.768 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.623 4.422 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.086 5.526 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.069 6.395 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.731 7.141 -5.203 1.00 0.00 H new ATOM 1777 N THR A 118 -13.713 7.759 -3.259 1.00 0.00 N ATOM 1778 CA THR A 118 -13.563 8.891 -2.335 1.00 0.00 C ATOM 1779 C THR A 118 -13.248 8.404 -0.936 1.00 0.00 C ATOM 1780 O THR A 118 -13.388 7.214 -0.634 1.00 0.00 O ATOM 1781 CB THR A 118 -14.818 9.783 -2.315 1.00 0.00 C ATOM 1782 OG1 THR A 118 -15.934 9.041 -1.850 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.097 10.327 -3.719 1.00 0.00 C ATOM 0 H THR A 118 -14.225 6.968 -2.870 1.00 0.00 H new ATOM 0 HA THR A 118 -12.730 9.494 -2.697 1.00 0.00 H new ATOM 0 HB THR A 118 -14.645 10.621 -1.640 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.949 8.164 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 118 -15.986 10.957 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 118 -14.244 10.916 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.259 9.496 -4.406 1.00 0.00 H new ATOM 1791 N LYS A 119 -12.813 9.330 -0.091 1.00 0.00 N ATOM 1792 CA LYS A 119 -12.456 9.014 1.289 1.00 0.00 C ATOM 1793 C LYS A 119 -13.636 8.401 2.065 1.00 0.00 C ATOM 1794 O LYS A 119 -13.433 7.776 3.111 1.00 0.00 O ATOM 1795 CB LYS A 119 -11.969 10.289 2.007 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.115 11.331 2.079 1.00 0.00 C ATOM 1797 CD LYS A 119 -12.704 12.506 2.977 1.00 0.00 C ATOM 1798 CE LYS A 119 -11.696 13.389 2.244 1.00 0.00 C ATOM 1799 NZ LYS A 119 -11.358 14.569 3.092 1.00 0.00 N ATOM 0 H LYS A 119 -12.698 10.313 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 119 -11.657 8.273 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -11.628 10.042 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.116 10.711 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.351 11.693 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.018 10.863 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.582 13.091 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.268 12.132 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.794 12.820 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.111 13.719 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.672 15.170 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.221 15.116 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.945 14.245 3.990 1.00 0.00 H new ATOM 1813 N THR A 120 -14.870 8.664 1.594 1.00 0.00 N ATOM 1814 CA THR A 120 -16.063 8.211 2.317 1.00 0.00 C ATOM 1815 C THR A 120 -17.214 7.766 1.385 1.00 0.00 C ATOM 1816 O THR A 120 -18.361 7.650 1.834 1.00 0.00 O ATOM 1817 CB THR A 120 -16.539 9.331 3.263 1.00 0.00 C ATOM 1818 OG1 THR A 120 -17.636 8.867 4.038 1.00 0.00 O ATOM 1819 CG2 THR A 120 -16.963 10.571 2.458 1.00 0.00 C ATOM 0 H THR A 120 -15.061 9.177 0.733 1.00 0.00 H new ATOM 0 HA THR A 120 -15.779 7.326 2.887 1.00 0.00 H new ATOM 0 HB THR A 120 -15.716 9.606 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.285 8.424 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.296 11.352 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.116 10.935 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.778 10.306 1.784 1.00 0.00 H new ATOM 1827 N ALA A 121 -16.907 7.525 0.099 1.00 0.00 N ATOM 1828 CA ALA A 121 -17.937 7.105 -0.865 1.00 0.00 C ATOM 1829 C ALA A 121 -17.323 6.445 -2.096 1.00 0.00 C ATOM 1830 O ALA A 121 -16.137 6.622 -2.379 1.00 0.00 O ATOM 1831 CB ALA A 121 -18.783 8.305 -1.290 1.00 0.00 C ATOM 0 H ALA A 121 -15.969 7.612 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.570 6.369 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -19.541 7.981 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.269 8.736 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.143 9.055 -1.756 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.150 5.697 -2.837 1.00 0.00 N ATOM 1838 CA VAL A 122 -17.697 5.038 -4.070 1.00 0.00 C ATOM 1839 C VAL A 122 -18.716 5.181 -5.184 1.00 0.00 C ATOM 1840 O VAL A 122 -19.922 5.284 -4.928 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.395 3.550 -3.830 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.243 3.425 -2.855 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.632 2.835 -3.255 1.00 0.00 C ATOM 0 H VAL A 122 -19.130 5.533 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 122 -16.777 5.537 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.131 3.085 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.026 2.371 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.361 3.914 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.512 3.900 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -18.401 1.783 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -18.912 3.297 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -19.461 2.919 -3.958 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.224 5.144 -6.421 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.078 5.221 -7.591 1.00 0.00 C ATOM 1855 C ALA A 123 -18.415 4.530 -8.781 1.00 0.00 C ATOM 1856 O ALA A 123 -17.206 4.279 -8.765 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.411 6.684 -7.925 1.00 0.00 C ATOM 0 H ALA A 123 -17.230 5.060 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.012 4.704 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.052 6.719 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -19.928 7.141 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -18.489 7.230 -8.125 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.215 4.222 -9.804 1.00 0.00 N ATOM 1864 CA HIS A 124 -18.714 3.555 -11.008 1.00 0.00 C ATOM 1865 C HIS A 124 -19.000 4.392 -12.253 1.00 0.00 C ATOM 1866 O HIS A 124 -19.946 5.187 -12.274 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.336 2.147 -11.150 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.846 2.237 -11.247 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.649 2.403 -10.129 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.701 2.190 -12.320 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -22.927 2.450 -10.551 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.014 2.326 -11.879 1.00 0.00 N ATOM 0 H HIS A 124 -20.215 4.424 -9.823 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.634 3.448 -10.909 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -18.938 1.656 -12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.057 1.533 -10.294 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.400 2.066 -13.350 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -23.777 2.573 -9.897 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.861 2.330 -12.447 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.166 4.213 -13.275 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.299 4.953 -14.529 1.00 0.00 C ATOM 1882 C ARG A 125 -18.677 4.003 -15.688 1.00 0.00 C ATOM 1883 O ARG A 125 -18.341 2.815 -15.637 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.984 5.680 -14.840 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.696 6.736 -13.747 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.518 8.014 -14.005 1.00 0.00 C ATOM 1887 NE ARG A 125 -18.869 7.890 -13.422 1.00 0.00 N ATOM 1888 CZ ARG A 125 -19.837 8.832 -13.583 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -19.618 9.929 -14.286 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -21.008 8.645 -13.036 1.00 0.00 N ATOM 0 H ARG A 125 -17.385 3.557 -13.259 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.097 5.687 -14.421 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.165 4.963 -14.890 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.046 6.161 -15.816 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.942 6.330 -12.766 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.633 6.976 -13.735 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.007 8.875 -13.573 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.594 8.194 -15.077 1.00 0.00 H new ATOM 0 HE ARG A 125 -19.087 7.059 -12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.708 10.083 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -20.359 10.622 -14.394 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -21.189 7.800 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -21.742 9.344 -13.150 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.385 4.490 -16.736 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.800 3.622 -17.891 1.00 0.00 C ATOM 1906 C PRO A 126 -18.600 2.940 -18.545 1.00 0.00 C ATOM 1907 O PRO A 126 -17.530 3.543 -18.678 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.457 4.608 -18.867 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.917 5.740 -18.013 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.860 5.891 -16.929 1.00 0.00 C ATOM 0 HA PRO A 126 -20.463 2.814 -17.582 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.749 4.946 -19.624 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.292 4.146 -19.394 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.014 6.656 -18.596 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.895 5.532 -17.580 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.052 6.553 -17.241 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.277 6.307 -16.012 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.786 1.675 -18.943 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.713 0.898 -19.575 1.00 0.00 C ATOM 1920 C GLY A 127 -16.715 0.339 -18.539 1.00 0.00 C ATOM 1921 O GLY A 127 -15.625 -0.110 -18.905 1.00 0.00 O ATOM 0 H GLY A 127 -19.666 1.170 -18.839 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.147 0.074 -20.141 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.181 1.528 -20.287 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.097 0.376 -17.248 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.239 -0.101 -16.160 1.00 0.00 C ATOM 1927 C ALA A 128 -15.678 -1.488 -16.460 1.00 0.00 C ATOM 1928 O ALA A 128 -16.258 -2.251 -17.238 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.023 -0.133 -14.847 1.00 0.00 C ATOM 0 H ALA A 128 -18.000 0.734 -16.938 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.402 0.591 -16.068 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.376 -0.489 -14.045 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.376 0.870 -14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -17.876 -0.803 -14.949 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.523 -1.784 -15.861 1.00 0.00 N ATOM 1936 CA PHE A 129 -13.833 -3.060 -16.080 1.00 0.00 C ATOM 1937 C PHE A 129 -14.694 -4.235 -15.630 1.00 0.00 C ATOM 1938 O PHE A 129 -15.379 -4.159 -14.605 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.515 -3.094 -15.301 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.498 -2.150 -15.920 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.086 -1.004 -15.221 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -10.961 -2.426 -17.185 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.140 -0.143 -15.785 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.016 -1.559 -17.748 1.00 0.00 C ATOM 1945 CZ PHE A 129 -9.605 -0.418 -17.048 1.00 0.00 C ATOM 0 H PHE A 129 -14.043 -1.155 -15.217 1.00 0.00 H new ATOM 0 HA PHE A 129 -13.637 -3.146 -17.149 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.694 -2.814 -14.263 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.118 -4.109 -15.293 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.500 -0.788 -14.247 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.276 -3.307 -17.725 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.822 0.736 -15.245 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -9.604 -1.771 -18.723 1.00 0.00 H new ATOM 0 HZ PHE A 129 -8.876 0.249 -17.483 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.623 -5.336 -16.389 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.365 -6.558 -16.058 1.00 0.00 C ATOM 1957 C LYS A 130 -14.684 -7.792 -16.655 1.00 0.00 C ATOM 1958 O LYS A 130 -14.600 -8.841 -16.010 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.839 -6.476 -16.535 1.00 0.00 C ATOM 1960 CG LYS A 130 -16.919 -6.076 -18.023 1.00 0.00 C ATOM 1961 CD LYS A 130 -18.384 -6.100 -18.491 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.131 -4.875 -17.945 1.00 0.00 C ATOM 1963 NZ LYS A 130 -18.581 -3.635 -18.566 1.00 0.00 N ATOM 0 H LYS A 130 -14.059 -5.405 -17.236 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.366 -6.651 -14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.327 -7.440 -16.387 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.381 -5.749 -15.930 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.499 -5.080 -18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -16.324 -6.762 -18.626 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.426 -6.106 -19.580 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.869 -7.014 -18.148 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.196 -4.960 -18.161 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.028 -4.827 -16.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -19.330 -2.916 -18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -17.800 -3.272 -17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -18.230 -3.851 -19.521 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.198 -7.655 -17.894 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.523 -8.760 -18.594 1.00 0.00 C ATOM 1979 C ALA A 131 -11.999 -8.778 -18.338 1.00 0.00 C ATOM 1980 O ALA A 131 -11.318 -9.738 -18.713 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.789 -8.661 -20.097 1.00 0.00 C ATOM 0 H ALA A 131 -14.258 -6.792 -18.434 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.932 -9.690 -18.199 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.287 -9.481 -20.610 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.862 -8.720 -20.281 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.408 -7.711 -20.472 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.471 -7.706 -17.724 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.033 -7.595 -17.453 1.00 0.00 C ATOM 1989 C GLU A 132 -9.732 -7.867 -15.975 1.00 0.00 C ATOM 1990 O GLU A 132 -10.433 -7.367 -15.089 1.00 0.00 O ATOM 1991 CB GLU A 132 -9.535 -6.191 -17.846 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.004 -6.113 -17.722 1.00 0.00 C ATOM 1993 CD GLU A 132 -7.517 -4.731 -18.147 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -7.912 -3.766 -17.514 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -6.757 -4.658 -19.100 1.00 0.00 O ATOM 0 H GLU A 132 -12.020 -6.907 -17.407 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.510 -8.343 -18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.836 -5.964 -18.869 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.997 -5.441 -17.204 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.703 -6.313 -16.694 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.541 -6.878 -18.345 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.669 -8.645 -15.723 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.251 -8.963 -14.346 1.00 0.00 C ATOM 2004 C LEU A 133 -7.080 -8.075 -13.978 1.00 0.00 C ATOM 2005 O LEU A 133 -6.239 -7.771 -14.836 1.00 0.00 O ATOM 2006 CB LEU A 133 -7.818 -10.442 -14.216 1.00 0.00 C ATOM 2007 CG LEU A 133 -8.901 -11.382 -14.772 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -8.327 -12.786 -14.893 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -10.102 -11.414 -13.821 1.00 0.00 C ATOM 0 H LEU A 133 -8.086 -9.064 -16.447 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.096 -8.793 -13.679 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.883 -10.600 -14.753 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.628 -10.679 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.223 -11.022 -15.749 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.089 -13.458 -15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.472 -12.772 -15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -8.008 -13.135 -13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.865 -12.082 -14.221 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.782 -11.773 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.514 -10.410 -13.722 1.00 0.00 H new ATOM 2021 N SER A 134 -7.045 -7.618 -12.726 1.00 0.00 N ATOM 2022 CA SER A 134 -5.993 -6.712 -12.289 1.00 0.00 C ATOM 2023 C SER A 134 -5.842 -6.688 -10.777 1.00 0.00 C ATOM 2024 O SER A 134 -6.695 -7.193 -10.042 1.00 0.00 O ATOM 2025 CB SER A 134 -6.284 -5.307 -12.802 1.00 0.00 C ATOM 2026 OG SER A 134 -5.252 -4.432 -12.384 1.00 0.00 O ATOM 0 H SER A 134 -7.727 -7.859 -12.007 1.00 0.00 H new ATOM 0 HA SER A 134 -5.053 -7.076 -12.702 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.354 -5.312 -13.890 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.245 -4.961 -12.423 1.00 0.00 H new ATOM 0 HG SER A 134 -4.404 -4.922 -12.342 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.768 -6.039 -10.328 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.493 -5.865 -8.901 1.00 0.00 C ATOM 2034 C LYS A 135 -4.570 -4.393 -8.541 1.00 0.00 C ATOM 2035 O LYS A 135 -4.263 -3.536 -9.364 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.107 -6.435 -8.529 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.001 -5.772 -9.374 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.642 -6.374 -8.999 1.00 0.00 C ATOM 2039 CE LYS A 135 0.473 -5.688 -9.799 1.00 0.00 C ATOM 2040 NZ LYS A 135 0.325 -6.003 -11.252 1.00 0.00 N ATOM 0 H LYS A 135 -4.067 -5.621 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.245 -6.415 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.912 -6.268 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.097 -7.513 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.198 -5.925 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.994 -4.696 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.463 -6.252 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.641 -7.445 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.432 -4.610 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.447 -6.023 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.985 -5.418 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.537 -7.008 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.650 -5.802 -11.553 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.040 -4.108 -7.326 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.236 -2.721 -6.883 1.00 0.00 C ATOM 2056 C LEU A 136 -4.213 -2.305 -5.835 1.00 0.00 C ATOM 2057 O LEU A 136 -3.803 -3.107 -4.997 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.652 -2.524 -6.307 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.744 -2.959 -7.333 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.052 -4.462 -7.178 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -9.033 -2.149 -7.091 1.00 0.00 C ATOM 0 H LEU A 136 -5.292 -4.812 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.105 -2.092 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.759 -3.104 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.796 -1.477 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.374 -2.771 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -8.815 -4.753 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.145 -5.040 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.414 -4.657 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.795 -2.454 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.394 -2.333 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.824 -1.086 -7.214 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.868 -1.017 -5.854 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.967 -0.432 -4.870 1.00 0.00 C ATOM 2075 C VAL A 137 -3.487 0.955 -4.475 1.00 0.00 C ATOM 2076 O VAL A 137 -3.714 1.811 -5.337 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.520 -0.358 -5.432 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.461 0.540 -6.676 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.564 0.186 -4.358 1.00 0.00 C ATOM 0 H VAL A 137 -4.206 -0.354 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.937 -1.061 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.214 -1.365 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.438 0.576 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.116 0.136 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.787 1.547 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.447 0.234 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.883 1.184 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.578 -0.474 -3.491 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.732 1.140 -3.178 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.293 2.394 -2.668 1.00 0.00 C ATOM 2091 C ILE A 138 -3.381 3.010 -1.607 1.00 0.00 C ATOM 2092 O ILE A 138 -3.068 2.371 -0.596 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.714 2.147 -2.071 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.646 1.501 -3.138 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.332 3.485 -1.608 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.447 -0.023 -3.180 1.00 0.00 C ATOM 0 H ILE A 138 -3.551 0.438 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.372 3.093 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.616 1.472 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.686 1.731 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.435 1.928 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.323 3.304 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.696 3.935 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.413 4.162 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.107 -0.456 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.411 -0.248 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.681 -0.448 -2.204 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.024 4.280 -1.815 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.223 5.028 -0.845 1.00 0.00 C ATOM 2110 C VAL A 139 -3.054 6.208 -0.341 1.00 0.00 C ATOM 2111 O VAL A 139 -3.484 7.055 -1.131 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.905 5.528 -1.496 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.060 6.300 -0.470 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.094 4.329 -2.010 1.00 0.00 C ATOM 0 H VAL A 139 -3.278 4.812 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.954 4.381 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.157 6.190 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.861 6.644 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.624 7.159 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.184 5.645 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.830 4.684 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.143 3.666 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.679 3.785 -2.751 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.307 6.231 0.969 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.129 7.281 1.578 1.00 0.00 C ATOM 2126 C ALA A 140 -3.408 7.954 2.737 1.00 0.00 C ATOM 2127 O ALA A 140 -2.688 7.304 3.496 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.451 6.690 2.069 1.00 0.00 C ATOM 0 H ALA A 140 -2.956 5.536 1.628 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.323 8.036 0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.056 7.477 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.990 6.255 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.251 5.916 2.810 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.626 9.265 2.868 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.026 10.052 3.933 1.00 0.00 C ATOM 2136 C LYS A 141 -4.006 10.210 5.087 1.00 0.00 C ATOM 2137 O LYS A 141 -5.194 10.479 4.868 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.648 11.437 3.417 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.756 12.134 4.456 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.560 13.614 4.093 1.00 0.00 C ATOM 2141 CE LYS A 141 -0.607 13.736 2.905 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.362 15.174 2.607 1.00 0.00 N ATOM 0 H LYS A 141 -4.222 9.803 2.239 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.132 9.532 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.122 11.353 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.545 12.028 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.208 12.053 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.788 11.635 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -2.520 14.068 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.160 14.157 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.335 13.235 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.032 13.241 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.287 15.255 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.263 15.639 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 0.062 15.633 3.438 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.497 10.073 6.314 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.324 10.232 7.503 1.00 0.00 C ATOM 2158 C ALA A 142 -4.925 11.629 7.538 1.00 0.00 C ATOM 2159 O ALA A 142 -4.243 12.614 7.230 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.491 9.995 8.762 1.00 0.00 C ATOM 0 H ALA A 142 -2.520 9.853 6.505 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.129 9.498 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.121 10.117 9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.084 8.984 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.673 10.715 8.798 1.00 0.00 H new