USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 72 HIS : no HE2:sc= 0.514 K(o=-0.53,f=-6.5!) USER MOD Set 1.2: B 116 ASN : amide:sc= -1.04 K(o=-0.53,f=-3.9!) USER MOD Set 2.1: B 67 ASN : amide:sc= 1.99 K(o=3.6,f=-7.2!) USER MOD Set 2.2: B 70 LYS NZ :NH3+ 143:sc= 1.65 (180deg=-0.379) USER MOD Set 3.1: B 54 TYR OH : rot 30:sc= -0.141 USER MOD Set 3.2: B 61 GLN : amide:sc= -0.612 K(o=-0.75,f=-1.6!) USER MOD Set 4.1: B 57 SER OG : rot 80:sc= 0.289 USER MOD Set 4.2: B 129 LYS NZ :NH3+ -141:sc= 1.51 (180deg=1.12) USER MOD Single : A 9 ASN : amide:sc= 0.335 X(o=0.33,f=-0.05) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.025) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 84:sc= 1.24 USER MOD Single : A 31 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.31) USER MOD Single : A 32 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.67) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -115:sc= 0.0799 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : B 46 LYS NZ :NH3+ -148:sc= 1.13 (180deg=0.945) USER MOD Single : B 47 THR OG1 : rot 98:sc= 1.26 USER MOD Single : B 48 LYS NZ :NH3+ 176:sc= 1.34 (180deg=1.23) USER MOD Single : B 55 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : B 56 ASN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : B 65 LYS NZ :NH3+ 161:sc= -0.0961 (180deg=-0.393) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -40:sc= 0.481 USER MOD Single : B 97 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.05) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= 1.12 K(o=1.1,f=-0.099) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -1.73 X(o=-1.7,f=-2!) USER MOD Single : B 107 THR OG1 : rot -16:sc= 1.25 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 70:sc= 1.04 USER MOD Single : B 124 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.9) USER MOD Single : B 131 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.386 0.482 -7.328 1.00 0.00 N ATOM 104 CA GLU A 8 9.371 1.324 -6.719 1.00 0.00 C ATOM 105 C GLU A 8 8.374 0.487 -5.927 1.00 0.00 C ATOM 106 O GLU A 8 8.111 0.775 -4.767 1.00 0.00 O ATOM 107 CB GLU A 8 8.668 2.188 -7.779 1.00 0.00 C ATOM 108 CG GLU A 8 8.389 1.478 -9.100 1.00 0.00 C ATOM 109 CD GLU A 8 6.981 0.930 -9.209 1.00 0.00 C ATOM 110 OE1 GLU A 8 6.052 1.722 -9.457 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.803 -0.299 -9.081 1.00 0.00 O1- ATOM 0 HA GLU A 8 9.862 1.999 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.724 2.545 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.282 3.066 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.564 2.174 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.099 0.659 -9.220 1.00 0.00 H new ATOM 118 N ASN A 9 7.862 -0.569 -6.543 1.00 0.00 N ATOM 119 CA ASN A 9 6.926 -1.473 -5.877 1.00 0.00 C ATOM 120 C ASN A 9 7.540 -2.070 -4.616 1.00 0.00 C ATOM 121 O ASN A 9 6.855 -2.243 -3.613 1.00 0.00 O ATOM 122 CB ASN A 9 6.474 -2.586 -6.829 1.00 0.00 C ATOM 123 CG ASN A 9 7.634 -3.240 -7.546 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.203 -4.222 -7.076 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.991 -2.689 -8.692 1.00 0.00 N ATOM 0 H ASN A 9 8.078 -0.824 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 9 6.052 -0.890 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.926 -3.342 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.783 -2.173 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.768 -3.079 -9.225 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.489 -1.874 -9.044 1.00 0.00 H new ATOM 132 N SER A 10 8.836 -2.354 -4.666 1.00 0.00 N ATOM 133 CA SER A 10 9.559 -2.870 -3.511 1.00 0.00 C ATOM 134 C SER A 10 9.504 -1.870 -2.353 1.00 0.00 C ATOM 135 O SER A 10 9.457 -2.250 -1.182 1.00 0.00 O ATOM 136 CB SER A 10 11.010 -3.151 -3.903 1.00 0.00 C ATOM 137 OG SER A 10 11.067 -3.908 -5.101 1.00 0.00 O ATOM 0 H SER A 10 9.411 -2.234 -5.500 1.00 0.00 H new ATOM 0 HA SER A 10 9.090 -3.797 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.545 -2.211 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.511 -3.693 -3.100 1.00 0.00 H new ATOM 0 HG SER A 10 12.003 -4.077 -5.337 1.00 0.00 H new ATOM 143 N GLN A 11 9.501 -0.585 -2.697 1.00 0.00 N ATOM 144 CA GLN A 11 9.375 0.477 -1.710 1.00 0.00 C ATOM 145 C GLN A 11 7.914 0.631 -1.290 1.00 0.00 C ATOM 146 O GLN A 11 7.615 0.831 -0.114 1.00 0.00 O ATOM 147 CB GLN A 11 9.899 1.802 -2.282 1.00 0.00 C ATOM 148 CG GLN A 11 11.345 1.746 -2.757 1.00 0.00 C ATOM 149 CD GLN A 11 12.361 1.979 -1.648 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.454 2.487 -1.899 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.016 1.623 -0.421 1.00 0.00 N ATOM 0 H GLN A 11 9.585 -0.255 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 11 9.970 0.213 -0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.265 2.101 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.808 2.576 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.532 0.773 -3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.492 2.494 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.102 1.205 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.664 1.767 0.353 1.00 0.00 H new ATOM 160 N LEU A 12 7.014 0.528 -2.271 1.00 0.00 N ATOM 161 CA LEU A 12 5.569 0.595 -2.032 1.00 0.00 C ATOM 162 C LEU A 12 5.139 -0.396 -0.956 1.00 0.00 C ATOM 163 O LEU A 12 4.471 -0.027 0.009 1.00 0.00 O ATOM 164 CB LEU A 12 4.802 0.286 -3.322 1.00 0.00 C ATOM 165 CG LEU A 12 4.440 1.484 -4.213 1.00 0.00 C ATOM 166 CD1 LEU A 12 5.653 2.338 -4.534 1.00 0.00 C ATOM 167 CD2 LEU A 12 3.804 0.991 -5.499 1.00 0.00 C ATOM 0 H LEU A 12 7.265 0.396 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 12 5.340 1.606 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.397 -0.410 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.880 -0.230 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 12 3.734 2.106 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.353 3.174 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.085 2.719 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.394 1.735 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.548 1.843 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.506 0.346 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.900 0.429 -5.265 1.00 0.00 H new ATOM 179 N LEU A 13 5.544 -1.651 -1.133 1.00 0.00 N ATOM 180 CA LEU A 13 5.144 -2.737 -0.242 1.00 0.00 C ATOM 181 C LEU A 13 5.504 -2.430 1.201 1.00 0.00 C ATOM 182 O LEU A 13 4.655 -2.476 2.091 1.00 0.00 O ATOM 183 CB LEU A 13 5.833 -4.042 -0.644 1.00 0.00 C ATOM 184 CG LEU A 13 5.709 -4.434 -2.113 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.407 -5.759 -2.361 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.249 -4.499 -2.534 1.00 0.00 C ATOM 0 H LEU A 13 6.156 -1.943 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 13 4.062 -2.841 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.892 -3.963 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.423 -4.849 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 13 6.195 -3.670 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.312 -6.029 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.462 -5.668 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.949 -6.533 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.186 -4.780 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.728 -5.240 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.785 -3.523 -2.391 1.00 0.00 H new ATOM 198 N ASP A 14 6.769 -2.108 1.420 1.00 0.00 N ATOM 199 CA ASP A 14 7.281 -1.919 2.766 1.00 0.00 C ATOM 200 C ASP A 14 6.746 -0.624 3.369 1.00 0.00 C ATOM 201 O ASP A 14 6.611 -0.505 4.586 1.00 0.00 O ATOM 202 CB ASP A 14 8.807 -1.925 2.755 1.00 0.00 C ATOM 203 CG ASP A 14 9.391 -2.240 4.116 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.967 -3.249 4.728 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.293 -1.506 4.565 1.00 0.00 O1- ATOM 0 H ASP A 14 7.460 -1.972 0.682 1.00 0.00 H new ATOM 0 HA ASP A 14 6.938 -2.745 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.160 -2.660 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.169 -0.952 2.423 1.00 0.00 H new ATOM 210 N PHE A 15 6.428 0.336 2.504 1.00 0.00 N ATOM 211 CA PHE A 15 5.805 1.583 2.933 1.00 0.00 C ATOM 212 C PHE A 15 4.421 1.301 3.505 1.00 0.00 C ATOM 213 O PHE A 15 4.150 1.595 4.666 1.00 0.00 O ATOM 214 CB PHE A 15 5.707 2.564 1.759 1.00 0.00 C ATOM 215 CG PHE A 15 5.052 3.873 2.103 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.774 4.883 2.718 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.717 4.094 1.807 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.175 6.088 3.032 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.113 5.296 2.118 1.00 0.00 C ATOM 220 CZ PHE A 15 3.842 6.296 2.732 1.00 0.00 C ATOM 0 H PHE A 15 6.593 0.273 1.499 1.00 0.00 H new ATOM 0 HA PHE A 15 6.422 2.036 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.710 2.761 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.148 2.092 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.816 4.727 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.141 3.316 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.748 6.867 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.071 5.454 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.372 7.237 2.977 1.00 0.00 H new ATOM 230 N ILE A 16 3.566 0.702 2.681 1.00 0.00 N ATOM 231 CA ILE A 16 2.215 0.328 3.092 1.00 0.00 C ATOM 232 C ILE A 16 2.267 -0.544 4.344 1.00 0.00 C ATOM 233 O ILE A 16 1.431 -0.431 5.247 1.00 0.00 O ATOM 234 CB ILE A 16 1.507 -0.446 1.958 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.427 0.417 0.697 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.118 -0.892 2.392 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.014 -0.353 -0.538 1.00 0.00 C ATOM 0 H ILE A 16 3.788 0.463 1.715 1.00 0.00 H new ATOM 0 HA ILE A 16 1.657 1.238 3.310 1.00 0.00 H new ATOM 0 HB ILE A 16 2.092 -1.338 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.716 1.226 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.399 0.878 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.361 -1.435 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.200 -1.543 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.481 -0.018 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.978 0.322 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.737 -1.145 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.029 -0.791 -0.381 1.00 0.00 H new ATOM 249 N ARG A 17 3.282 -1.395 4.384 1.00 0.00 N ATOM 250 CA ARG A 17 3.521 -2.289 5.504 1.00 0.00 C ATOM 251 C ARG A 17 3.712 -1.509 6.805 1.00 0.00 C ATOM 252 O ARG A 17 3.172 -1.884 7.845 1.00 0.00 O ATOM 253 CB ARG A 17 4.750 -3.144 5.193 1.00 0.00 C ATOM 254 CG ARG A 17 5.123 -4.148 6.266 1.00 0.00 C ATOM 255 CD ARG A 17 6.294 -4.997 5.804 1.00 0.00 C ATOM 256 NE ARG A 17 6.801 -5.869 6.859 1.00 0.00 N ATOM 257 CZ ARG A 17 8.094 -6.038 7.136 1.00 0.00 C ATOM 258 NH1 ARG A 17 9.024 -5.334 6.498 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.455 -6.902 8.074 1.00 0.00 N ATOM 0 H ARG A 17 3.967 -1.484 3.634 1.00 0.00 H new ATOM 0 HA ARG A 17 2.653 -2.933 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.574 -3.681 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.600 -2.483 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.383 -3.627 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.268 -4.786 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.986 -5.603 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.097 -4.346 5.458 1.00 0.00 H new ATOM 0 HE ARG A 17 6.122 -6.382 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.752 -4.655 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.010 -5.473 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.745 -7.433 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.443 -7.036 8.291 1.00 0.00 H new ATOM 273 N GLU A 18 4.463 -0.414 6.738 1.00 0.00 N ATOM 274 CA GLU A 18 4.707 0.417 7.913 1.00 0.00 C ATOM 275 C GLU A 18 3.438 1.130 8.365 1.00 0.00 C ATOM 276 O GLU A 18 3.207 1.288 9.565 1.00 0.00 O ATOM 277 CB GLU A 18 5.815 1.436 7.648 1.00 0.00 C ATOM 278 CG GLU A 18 7.189 0.803 7.530 1.00 0.00 C ATOM 279 CD GLU A 18 8.320 1.813 7.604 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.103 2.919 8.139 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.445 1.487 7.164 1.00 0.00 O1- ATOM 0 H GLU A 18 4.912 -0.082 5.885 1.00 0.00 H new ATOM 0 HA GLU A 18 5.030 -0.247 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.591 1.977 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.827 2.169 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.313 0.069 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.254 0.263 6.585 1.00 0.00 H new ATOM 288 N LEU A 19 2.616 1.557 7.411 1.00 0.00 N ATOM 289 CA LEU A 19 1.354 2.209 7.738 1.00 0.00 C ATOM 290 C LEU A 19 0.466 1.275 8.550 1.00 0.00 C ATOM 291 O LEU A 19 -0.039 1.644 9.612 1.00 0.00 O ATOM 292 CB LEU A 19 0.605 2.639 6.470 1.00 0.00 C ATOM 293 CG LEU A 19 1.033 3.967 5.835 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.484 3.935 5.397 1.00 0.00 C ATOM 295 CD2 LEU A 19 0.142 4.280 4.650 1.00 0.00 C ATOM 0 H LEU A 19 2.800 1.464 6.412 1.00 0.00 H new ATOM 0 HA LEU A 19 1.588 3.096 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.719 1.853 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.457 2.702 6.707 1.00 0.00 H new ATOM 0 HG LEU A 19 0.930 4.748 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.751 4.893 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.121 3.747 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.625 3.142 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.450 5.225 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.227 3.483 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.893 4.357 4.983 1.00 0.00 H new ATOM 307 N GLY A 20 0.278 0.064 8.045 1.00 0.00 N ATOM 308 CA GLY A 20 -0.535 -0.912 8.742 1.00 0.00 C ATOM 309 C GLY A 20 0.091 -1.387 10.040 1.00 0.00 C ATOM 310 O GLY A 20 -0.614 -1.865 10.927 1.00 0.00 O ATOM 0 H GLY A 20 0.675 -0.261 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.512 -0.478 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.702 -1.770 8.090 1.00 0.00 H new ATOM 314 N ASP A 21 1.410 -1.247 10.156 1.00 0.00 N ATOM 315 CA ASP A 21 2.131 -1.701 11.344 1.00 0.00 C ATOM 316 C ASP A 21 1.776 -0.854 12.566 1.00 0.00 C ATOM 317 O ASP A 21 1.592 -1.381 13.661 1.00 0.00 O ATOM 318 CB ASP A 21 3.644 -1.660 11.091 1.00 0.00 C ATOM 319 CG ASP A 21 4.457 -2.271 12.219 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.840 -1.533 13.151 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.743 -3.488 12.164 1.00 0.00 O1- ATOM 0 H ASP A 21 2.002 -0.823 9.442 1.00 0.00 H new ATOM 0 HA ASP A 21 1.831 -2.729 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.865 -2.190 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.954 -0.625 10.948 1.00 0.00 H new ATOM 326 N VAL A 22 1.660 0.458 12.372 1.00 0.00 N ATOM 327 CA VAL A 22 1.366 1.367 13.478 1.00 0.00 C ATOM 328 C VAL A 22 -0.120 1.665 13.563 1.00 0.00 C ATOM 329 O VAL A 22 -0.610 2.162 14.577 1.00 0.00 O ATOM 330 CB VAL A 22 2.134 2.700 13.362 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.602 2.499 13.678 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.966 3.300 11.974 1.00 0.00 C ATOM 0 H VAL A 22 1.764 0.913 11.465 1.00 0.00 H new ATOM 0 HA VAL A 22 1.693 0.855 14.383 1.00 0.00 H new ATOM 0 HB VAL A 22 1.717 3.397 14.089 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.127 3.450 13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.707 2.119 14.694 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.030 1.783 12.977 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.516 4.239 11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.353 2.606 11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.909 3.486 11.783 1.00 0.00 H new ATOM 342 N GLY A 23 -0.830 1.369 12.488 1.00 0.00 N ATOM 343 CA GLY A 23 -2.259 1.568 12.479 1.00 0.00 C ATOM 344 C GLY A 23 -2.673 2.850 11.786 1.00 0.00 C ATOM 345 O GLY A 23 -3.603 3.527 12.218 1.00 0.00 O ATOM 0 H GLY A 23 -0.441 0.995 11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.735 0.723 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.625 1.582 13.506 1.00 0.00 H new ATOM 349 N LEU A 24 -1.968 3.189 10.716 1.00 0.00 N ATOM 350 CA LEU A 24 -2.313 4.345 9.899 1.00 0.00 C ATOM 351 C LEU A 24 -3.114 3.909 8.685 1.00 0.00 C ATOM 352 O LEU A 24 -3.719 4.730 7.992 1.00 0.00 O ATOM 353 CB LEU A 24 -1.045 5.066 9.443 1.00 0.00 C ATOM 354 CG LEU A 24 -0.273 5.780 10.545 1.00 0.00 C ATOM 355 CD1 LEU A 24 1.076 6.245 10.028 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.074 6.959 11.069 1.00 0.00 C ATOM 0 H LEU A 24 -1.148 2.676 10.391 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.916 5.026 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.384 4.340 8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.316 5.796 8.680 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.107 5.080 11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.616 6.753 10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.653 5.384 9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.929 6.932 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.511 7.460 11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.264 7.660 10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.023 6.604 11.472 1.00 0.00 H new ATOM 368 N LEU A 25 -3.120 2.609 8.441 1.00 0.00 N ATOM 369 CA LEU A 25 -3.776 2.053 7.270 1.00 0.00 C ATOM 370 C LEU A 25 -5.113 1.439 7.658 1.00 0.00 C ATOM 371 O LEU A 25 -5.916 1.067 6.803 1.00 0.00 O ATOM 372 CB LEU A 25 -2.875 0.998 6.630 1.00 0.00 C ATOM 373 CG LEU A 25 -3.393 0.398 5.330 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.495 1.464 4.247 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.497 -0.743 4.889 1.00 0.00 C ATOM 0 H LEU A 25 -2.675 1.916 9.042 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.958 2.851 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.899 1.445 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.723 0.191 7.347 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.394 0.002 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.867 1.013 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.181 2.247 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.510 1.895 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.877 -1.165 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.485 -0.371 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.485 -1.515 5.659 1.00 0.00 H new ATOM 387 N GLU A 26 -5.338 1.343 8.960 1.00 0.00 N ATOM 388 CA GLU A 26 -6.559 0.763 9.495 1.00 0.00 C ATOM 389 C GLU A 26 -7.781 1.526 9.008 1.00 0.00 C ATOM 390 O GLU A 26 -7.797 2.760 8.996 1.00 0.00 O ATOM 391 CB GLU A 26 -6.513 0.754 11.018 1.00 0.00 C ATOM 392 CG GLU A 26 -5.477 -0.197 11.582 1.00 0.00 C ATOM 393 CD GLU A 26 -5.539 -0.288 13.090 1.00 0.00 C ATOM 394 OE1 GLU A 26 -4.879 0.525 13.766 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -6.256 -1.172 13.607 1.00 0.00 O ATOM 0 H GLU A 26 -4.682 1.664 9.672 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.635 -0.264 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.302 1.762 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.495 0.479 11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.627 -1.188 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.483 0.133 11.281 1.00 0.00 H new ATOM 402 N TYR A 27 -8.799 0.785 8.614 1.00 0.00 N ATOM 403 CA TYR A 27 -9.984 1.370 8.018 1.00 0.00 C ATOM 404 C TYR A 27 -11.241 0.659 8.502 1.00 0.00 C ATOM 405 O TYR A 27 -11.164 -0.324 9.241 1.00 0.00 O ATOM 406 CB TYR A 27 -9.892 1.286 6.491 1.00 0.00 C ATOM 407 CG TYR A 27 -9.820 -0.131 5.964 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.612 -0.812 5.916 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.962 -0.791 5.530 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.543 -2.108 5.448 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.902 -2.088 5.063 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.690 -2.742 5.025 1.00 0.00 C ATOM 413 OH TYR A 27 -9.626 -4.038 4.565 1.00 0.00 O ATOM 0 H TYR A 27 -8.828 -0.231 8.697 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.043 2.415 8.321 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.759 1.783 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.010 1.834 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.711 -0.319 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.913 -0.281 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.594 -2.623 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.800 -2.587 4.729 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.522 -4.338 4.306 1.00 0.00 H new ATOM 423 N GLU A 28 -12.386 1.163 8.072 1.00 0.00 N ATOM 424 CA GLU A 28 -13.670 0.570 8.397 1.00 0.00 C ATOM 425 C GLU A 28 -14.657 0.862 7.272 1.00 0.00 C ATOM 426 O GLU A 28 -14.832 2.016 6.877 1.00 0.00 O ATOM 427 CB GLU A 28 -14.184 1.121 9.727 1.00 0.00 C ATOM 428 CG GLU A 28 -14.477 0.043 10.756 1.00 0.00 C ATOM 429 CD GLU A 28 -15.627 -0.847 10.350 1.00 0.00 C ATOM 430 OE1 GLU A 28 -15.391 -1.854 9.650 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -16.780 -0.543 10.730 1.00 0.00 O ATOM 0 H GLU A 28 -12.450 1.996 7.487 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.559 -0.509 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.445 1.811 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.092 1.696 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.585 -0.566 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.705 0.512 11.713 1.00 0.00 H new ATOM 438 N LEU A 29 -15.288 -0.182 6.756 1.00 0.00 N ATOM 439 CA LEU A 29 -16.140 -0.065 5.581 1.00 0.00 C ATOM 440 C LEU A 29 -17.613 -0.229 5.936 1.00 0.00 C ATOM 441 O LEU A 29 -17.968 -0.975 6.851 1.00 0.00 O ATOM 442 CB LEU A 29 -15.755 -1.131 4.555 1.00 0.00 C ATOM 443 CG LEU A 29 -14.299 -1.105 4.091 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.011 -2.295 3.194 1.00 0.00 C ATOM 445 CD2 LEU A 29 -13.993 0.194 3.366 1.00 0.00 C ATOM 0 H LEU A 29 -15.225 -1.127 7.136 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.994 0.932 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.964 -2.112 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.398 -1.019 3.682 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.655 -1.167 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.970 -2.264 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.192 -3.218 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.663 -2.259 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.952 0.194 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.643 0.287 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.165 1.035 4.038 1.00 0.00 H new ATOM 457 N SER A 30 -18.463 0.486 5.217 1.00 0.00 N ATOM 458 CA SER A 30 -19.901 0.311 5.327 1.00 0.00 C ATOM 459 C SER A 30 -20.356 -0.786 4.371 1.00 0.00 C ATOM 460 O SER A 30 -19.567 -1.234 3.537 1.00 0.00 O ATOM 461 CB SER A 30 -20.605 1.629 5.006 1.00 0.00 C ATOM 462 OG SER A 30 -19.974 2.709 5.675 1.00 0.00 O ATOM 0 H SER A 30 -18.178 1.199 4.546 1.00 0.00 H new ATOM 0 HA SER A 30 -20.158 0.017 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.590 1.802 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.652 1.571 5.305 1.00 0.00 H new ATOM 0 HG SER A 30 -19.206 3.016 5.149 1.00 0.00 H new ATOM 468 N GLN A 31 -21.604 -1.224 4.488 1.00 0.00 N ATOM 469 CA GLN A 31 -22.125 -2.286 3.632 1.00 0.00 C ATOM 470 C GLN A 31 -21.905 -1.968 2.158 1.00 0.00 C ATOM 471 O GLN A 31 -21.441 -2.815 1.396 1.00 0.00 O ATOM 472 CB GLN A 31 -23.613 -2.514 3.899 1.00 0.00 C ATOM 473 CG GLN A 31 -23.892 -3.208 5.219 1.00 0.00 C ATOM 474 CD GLN A 31 -23.266 -4.586 5.286 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.879 -5.579 4.896 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.040 -4.656 5.778 1.00 0.00 N ATOM 0 H GLN A 31 -22.274 -0.861 5.166 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.578 -3.198 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.127 -1.553 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.032 -3.110 3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.509 -2.597 6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.969 -3.293 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.567 -3.808 6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.568 -5.558 5.845 1.00 0.00 H new ATOM 485 N GLN A 32 -22.204 -0.736 1.776 1.00 0.00 N ATOM 486 CA GLN A 32 -22.060 -0.310 0.392 1.00 0.00 C ATOM 487 C GLN A 32 -20.597 -0.347 -0.027 1.00 0.00 C ATOM 488 O GLN A 32 -20.258 -0.830 -1.107 1.00 0.00 O ATOM 489 CB GLN A 32 -22.614 1.099 0.210 1.00 0.00 C ATOM 490 CG GLN A 32 -22.923 1.439 -1.235 1.00 0.00 C ATOM 491 CD GLN A 32 -23.941 0.489 -1.828 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.590 -0.530 -2.426 1.00 0.00 O ATOM 493 NE2 GLN A 32 -25.209 0.804 -1.645 1.00 0.00 N ATOM 0 H GLN A 32 -22.549 -0.012 2.406 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.625 -0.997 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.522 1.204 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.894 1.818 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.299 2.460 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -22.005 1.402 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -25.455 1.658 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -25.943 0.194 -2.005 1.00 0.00 H new ATOM 502 N GLU A 33 -19.734 0.151 0.849 1.00 0.00 N ATOM 503 CA GLU A 33 -18.302 0.179 0.589 1.00 0.00 C ATOM 504 C GLU A 33 -17.749 -1.239 0.479 1.00 0.00 C ATOM 505 O GLU A 33 -16.845 -1.505 -0.303 1.00 0.00 O ATOM 506 CB GLU A 33 -17.577 0.947 1.694 1.00 0.00 C ATOM 507 CG GLU A 33 -18.030 2.392 1.822 1.00 0.00 C ATOM 508 CD GLU A 33 -17.361 3.109 2.974 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.754 2.867 4.133 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.439 3.917 2.732 1.00 0.00 O ATOM 0 H GLU A 33 -20.004 0.543 1.751 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.134 0.689 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.737 0.438 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.505 0.926 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.813 2.921 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.111 2.420 1.960 1.00 0.00 H new ATOM 517 N LYS A 34 -18.318 -2.157 1.245 1.00 0.00 N ATOM 518 CA LYS A 34 -17.881 -3.543 1.207 1.00 0.00 C ATOM 519 C LYS A 34 -18.390 -4.221 -0.057 1.00 0.00 C ATOM 520 O LYS A 34 -17.729 -5.090 -0.620 1.00 0.00 O ATOM 521 CB LYS A 34 -18.359 -4.302 2.449 1.00 0.00 C ATOM 522 CG LYS A 34 -17.619 -3.914 3.717 1.00 0.00 C ATOM 523 CD LYS A 34 -17.991 -4.813 4.885 1.00 0.00 C ATOM 524 CE LYS A 34 -17.210 -4.442 6.135 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.514 -5.343 7.275 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.079 -1.968 1.897 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.791 -3.557 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.424 -4.120 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.238 -5.372 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.545 -3.971 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.847 -2.878 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.060 -4.732 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.793 -5.853 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.142 -4.480 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.442 -3.414 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.959 -5.052 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.528 -5.288 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.268 -6.321 7.020 1.00 0.00 H new ATOM 539 N ASP A 35 -19.550 -3.783 -0.517 1.00 0.00 N ATOM 540 CA ASP A 35 -20.197 -4.386 -1.672 1.00 0.00 C ATOM 541 C ASP A 35 -19.473 -4.028 -2.963 1.00 0.00 C ATOM 542 O ASP A 35 -19.484 -4.793 -3.925 1.00 0.00 O ATOM 543 CB ASP A 35 -21.650 -3.925 -1.750 1.00 0.00 C ATOM 544 CG ASP A 35 -22.457 -4.730 -2.747 1.00 0.00 C ATOM 545 OD1 ASP A 35 -22.973 -5.803 -2.371 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -22.586 -4.293 -3.911 1.00 0.00 O ATOM 0 H ASP A 35 -20.067 -3.006 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.161 -5.469 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.108 -4.008 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.680 -2.872 -2.028 1.00 0.00 H new ATOM 551 N VAL A 36 -18.847 -2.860 -2.992 1.00 0.00 N ATOM 552 CA VAL A 36 -18.126 -2.426 -4.180 1.00 0.00 C ATOM 553 C VAL A 36 -16.704 -2.983 -4.200 1.00 0.00 C ATOM 554 O VAL A 36 -16.120 -3.176 -5.266 1.00 0.00 O ATOM 555 CB VAL A 36 -18.090 -0.885 -4.302 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.501 -0.320 -4.350 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.304 -0.260 -3.161 1.00 0.00 C ATOM 0 H VAL A 36 -18.823 -2.201 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.670 -2.822 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.583 -0.635 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.455 0.766 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.028 -0.730 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.032 -0.590 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.297 0.824 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.771 -0.522 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.280 -0.633 -3.177 1.00 0.00 H new ATOM 567 N LEU A 37 -16.160 -3.255 -3.018 1.00 0.00 N ATOM 568 CA LEU A 37 -14.776 -3.698 -2.901 1.00 0.00 C ATOM 569 C LEU A 37 -14.676 -5.217 -2.877 1.00 0.00 C ATOM 570 O LEU A 37 -13.880 -5.801 -3.610 1.00 0.00 O ATOM 571 CB LEU A 37 -14.142 -3.098 -1.647 1.00 0.00 C ATOM 572 CG LEU A 37 -14.220 -1.574 -1.571 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.543 -1.056 -0.316 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.606 -0.945 -2.810 1.00 0.00 C ATOM 0 H LEU A 37 -16.655 -3.177 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.232 -3.349 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.632 -3.519 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.095 -3.399 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.272 -1.292 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.613 0.031 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.035 -1.475 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.494 -1.352 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.671 0.141 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.560 -1.241 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.146 -1.282 -3.695 1.00 0.00 H new ATOM 659 N LYS B 43 -0.388 8.494 14.022 1.00 0.00 N ATOM 660 CA LYS B 43 0.905 7.933 14.379 1.00 0.00 C ATOM 661 C LYS B 43 1.909 8.203 13.269 1.00 0.00 C ATOM 662 O LYS B 43 1.542 8.667 12.190 1.00 0.00 O ATOM 663 CB LYS B 43 0.788 6.423 14.619 1.00 0.00 C ATOM 664 CG LYS B 43 -0.392 6.039 15.497 1.00 0.00 C ATOM 665 CD LYS B 43 -1.633 5.735 14.667 1.00 0.00 C ATOM 666 CE LYS B 43 -2.906 6.084 15.419 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.117 5.531 14.755 1.00 0.00 N1+ ATOM 0 HA LYS B 43 1.248 8.406 15.299 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.696 5.916 13.658 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.707 6.064 15.082 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.132 5.167 16.096 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.608 6.850 16.192 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.595 6.297 13.734 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.644 4.678 14.402 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.843 5.698 16.437 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -2.997 7.168 15.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.716 6.312 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.831 4.941 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.652 4.953 15.434 1.00 0.00 H new ATOM 681 N THR B 44 3.171 7.925 13.541 1.00 0.00 N ATOM 682 CA THR B 44 4.207 8.074 12.540 1.00 0.00 C ATOM 683 C THR B 44 4.683 6.719 12.052 1.00 0.00 C ATOM 684 O THR B 44 4.358 5.689 12.646 1.00 0.00 O ATOM 685 CB THR B 44 5.401 8.875 13.080 1.00 0.00 C ATOM 686 OG1 THR B 44 5.705 8.475 14.425 1.00 0.00 O ATOM 687 CG2 THR B 44 5.104 10.360 13.028 1.00 0.00 C ATOM 0 H THR B 44 3.502 7.595 14.448 1.00 0.00 H new ATOM 0 HA THR B 44 3.772 8.624 11.705 1.00 0.00 H new ATOM 0 HB THR B 44 6.268 8.670 12.453 1.00 0.00 H new ATOM 0 HG1 THR B 44 6.469 8.992 14.755 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.959 10.916 13.414 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.913 10.657 11.997 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.226 10.577 13.636 1.00 0.00 H new ATOM 695 N LEU B 45 5.456 6.720 10.980 1.00 0.00 N ATOM 696 CA LEU B 45 5.930 5.475 10.398 1.00 0.00 C ATOM 697 C LEU B 45 7.070 4.877 11.201 1.00 0.00 C ATOM 698 O LEU B 45 7.471 5.416 12.236 1.00 0.00 O ATOM 699 CB LEU B 45 6.353 5.676 8.943 1.00 0.00 C ATOM 700 CG LEU B 45 5.216 6.068 8.006 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.672 6.043 6.559 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.043 5.137 8.214 1.00 0.00 C ATOM 0 H LEU B 45 5.768 7.563 10.497 1.00 0.00 H new ATOM 0 HA LEU B 45 5.098 4.771 10.424 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.122 6.447 8.904 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.807 4.754 8.578 1.00 0.00 H new ATOM 0 HG LEU B 45 4.906 7.087 8.237 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.842 6.326 5.911 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.494 6.746 6.424 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.007 5.039 6.301 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.231 5.419 7.543 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.350 4.113 8.002 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.701 5.207 9.247 1.00 0.00 H new ATOM 714 N LYS B 46 7.594 3.769 10.716 1.00 0.00 N ATOM 715 CA LYS B 46 8.642 3.059 11.420 1.00 0.00 C ATOM 716 C LYS B 46 9.985 3.650 11.034 1.00 0.00 C ATOM 717 O LYS B 46 10.839 3.920 11.884 1.00 0.00 O ATOM 718 CB LYS B 46 8.607 1.566 11.075 1.00 0.00 C ATOM 719 CG LYS B 46 7.223 0.932 11.150 1.00 0.00 C ATOM 720 CD LYS B 46 6.521 1.220 12.467 1.00 0.00 C ATOM 721 CE LYS B 46 7.263 0.634 13.660 1.00 0.00 C ATOM 722 NZ LYS B 46 7.325 -0.849 13.605 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.310 3.340 9.835 1.00 0.00 H new ATOM 0 HA LYS B 46 8.488 3.164 12.494 1.00 0.00 H new ATOM 0 HB2 LYS B 46 9.001 1.429 10.068 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.274 1.034 11.753 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.612 1.303 10.327 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.313 -0.146 11.018 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.425 2.298 12.596 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.511 0.811 12.434 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.275 1.038 13.691 1.00 0.00 H new ATOM 0 HE3 LYS B 46 6.768 0.942 14.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.316 -1.233 14.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.503 -1.212 13.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 8.199 -1.142 13.124 1.00 0.00 H new ATOM 736 N THR B 47 10.149 3.862 9.742 1.00 0.00 N ATOM 737 CA THR B 47 11.345 4.469 9.201 1.00 0.00 C ATOM 738 C THR B 47 11.117 5.960 8.976 1.00 0.00 C ATOM 739 O THR B 47 10.112 6.357 8.398 1.00 0.00 O ATOM 740 CB THR B 47 11.725 3.811 7.864 1.00 0.00 C ATOM 741 OG1 THR B 47 11.857 2.394 8.036 1.00 0.00 O ATOM 742 CG2 THR B 47 13.021 4.391 7.330 1.00 0.00 C ATOM 0 H THR B 47 9.453 3.616 9.038 1.00 0.00 H new ATOM 0 HA THR B 47 12.155 4.324 9.915 1.00 0.00 H new ATOM 0 HB THR B 47 10.933 4.013 7.142 1.00 0.00 H new ATOM 0 HG1 THR B 47 11.031 1.951 7.750 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.271 3.912 6.384 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.903 5.463 7.173 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.822 4.216 8.049 1.00 0.00 H new ATOM 750 N LYS B 48 12.053 6.778 9.437 1.00 0.00 N ATOM 751 CA LYS B 48 11.947 8.222 9.290 1.00 0.00 C ATOM 752 C LYS B 48 12.096 8.620 7.829 1.00 0.00 C ATOM 753 O LYS B 48 11.479 9.580 7.371 1.00 0.00 O ATOM 754 CB LYS B 48 13.001 8.920 10.149 1.00 0.00 C ATOM 755 CG LYS B 48 12.927 10.445 10.113 1.00 0.00 C ATOM 756 CD LYS B 48 11.527 10.973 10.416 1.00 0.00 C ATOM 757 CE LYS B 48 11.057 10.590 11.813 1.00 0.00 C ATOM 758 NZ LYS B 48 9.724 11.172 12.127 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.896 6.465 9.917 1.00 0.00 H new ATOM 0 HA LYS B 48 10.960 8.536 9.631 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.892 8.586 11.181 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.991 8.607 9.816 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.631 10.856 10.837 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.239 10.797 9.130 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.521 12.059 10.317 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.826 10.582 9.679 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.008 9.504 11.895 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.785 10.932 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.408 10.834 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.793 12.210 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.038 10.880 11.402 1.00 0.00 H new ATOM 772 N ALA B 49 12.908 7.862 7.102 1.00 0.00 N ATOM 773 CA ALA B 49 13.073 8.066 5.668 1.00 0.00 C ATOM 774 C ALA B 49 11.751 7.855 4.938 1.00 0.00 C ATOM 775 O ALA B 49 11.538 8.397 3.860 1.00 0.00 O ATOM 776 CB ALA B 49 14.139 7.131 5.120 1.00 0.00 C ATOM 0 H ALA B 49 13.465 7.097 7.484 1.00 0.00 H new ATOM 0 HA ALA B 49 13.394 9.094 5.502 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.251 7.295 4.048 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.088 7.329 5.618 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.844 6.097 5.300 1.00 0.00 H new ATOM 782 N PHE B 50 10.871 7.067 5.544 1.00 0.00 N ATOM 783 CA PHE B 50 9.541 6.821 5.002 1.00 0.00 C ATOM 784 C PHE B 50 8.536 7.801 5.591 1.00 0.00 C ATOM 785 O PHE B 50 7.706 8.367 4.878 1.00 0.00 O ATOM 786 CB PHE B 50 9.097 5.390 5.314 1.00 0.00 C ATOM 787 CG PHE B 50 9.580 4.364 4.332 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.836 4.458 3.752 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.760 3.308 3.979 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.266 3.514 2.842 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.184 2.359 3.067 1.00 0.00 C ATOM 792 CZ PHE B 50 10.438 2.463 2.497 1.00 0.00 C ATOM 0 H PHE B 50 11.059 6.582 6.422 1.00 0.00 H new ATOM 0 HA PHE B 50 9.583 6.958 3.922 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.454 5.120 6.308 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.008 5.359 5.347 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.485 5.280 4.016 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.778 3.224 4.420 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.248 3.597 2.400 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.536 1.537 2.801 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.771 1.724 1.783 1.00 0.00 H new ATOM 802 N ASP B 51 8.629 7.990 6.905 1.00 0.00 N ATOM 803 CA ASP B 51 7.733 8.879 7.639 1.00 0.00 C ATOM 804 C ASP B 51 7.759 10.278 7.049 1.00 0.00 C ATOM 805 O ASP B 51 6.738 10.963 7.007 1.00 0.00 O ATOM 806 CB ASP B 51 8.131 8.937 9.116 1.00 0.00 C ATOM 807 CG ASP B 51 7.241 9.862 9.918 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.040 9.553 10.068 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.746 10.899 10.404 1.00 0.00 O ATOM 0 H ASP B 51 9.327 7.531 7.490 1.00 0.00 H new ATOM 0 HA ASP B 51 6.722 8.481 7.555 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.085 7.934 9.541 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.165 9.271 9.198 1.00 0.00 H new ATOM 814 N ASP B 52 8.936 10.678 6.581 1.00 0.00 N ATOM 815 CA ASP B 52 9.132 11.989 5.983 1.00 0.00 C ATOM 816 C ASP B 52 8.090 12.253 4.906 1.00 0.00 C ATOM 817 O ASP B 52 7.404 13.267 4.936 1.00 0.00 O ATOM 818 CB ASP B 52 10.534 12.093 5.383 1.00 0.00 C ATOM 819 CG ASP B 52 10.927 13.522 5.077 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.385 14.219 6.004 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 10.796 13.954 3.913 1.00 0.00 O ATOM 0 H ASP B 52 9.778 10.103 6.606 1.00 0.00 H new ATOM 0 HA ASP B 52 9.021 12.739 6.766 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.256 11.661 6.076 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.579 11.503 4.468 1.00 0.00 H new ATOM 826 N ILE B 53 7.944 11.314 3.986 1.00 0.00 N ATOM 827 CA ILE B 53 7.005 11.465 2.885 1.00 0.00 C ATOM 828 C ILE B 53 5.572 11.463 3.394 1.00 0.00 C ATOM 829 O ILE B 53 4.743 12.250 2.943 1.00 0.00 O ATOM 830 CB ILE B 53 7.163 10.343 1.843 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.581 10.328 1.281 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.148 10.492 0.719 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.495 9.360 1.981 1.00 0.00 C ATOM 0 H ILE B 53 8.465 10.437 3.979 1.00 0.00 H new ATOM 0 HA ILE B 53 7.228 12.420 2.410 1.00 0.00 H new ATOM 0 HB ILE B 53 6.977 9.393 2.343 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.540 10.075 0.221 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.003 11.331 1.354 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.283 9.686 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.140 10.446 1.131 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.293 11.451 0.222 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.486 9.403 1.529 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.566 9.624 3.036 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.097 8.350 1.886 1.00 0.00 H new ATOM 845 N TYR B 54 5.290 10.591 4.348 1.00 0.00 N ATOM 846 CA TYR B 54 3.945 10.466 4.888 1.00 0.00 C ATOM 847 C TYR B 54 3.497 11.773 5.546 1.00 0.00 C ATOM 848 O TYR B 54 2.307 12.090 5.571 1.00 0.00 O ATOM 849 CB TYR B 54 3.877 9.308 5.888 1.00 0.00 C ATOM 850 CG TYR B 54 2.491 9.075 6.445 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.486 8.537 5.652 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.184 9.411 7.756 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.214 8.338 6.154 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.915 9.219 8.263 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.067 8.682 7.459 1.00 0.00 C ATOM 856 OH TYR B 54 -1.336 8.498 7.960 1.00 0.00 O ATOM 0 H TYR B 54 5.974 9.959 4.765 1.00 0.00 H new ATOM 0 HA TYR B 54 3.265 10.253 4.064 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.222 8.396 5.401 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.562 9.508 6.712 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.702 8.270 4.628 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.951 9.830 8.390 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.557 7.915 5.527 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.693 9.488 9.285 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.759 7.737 7.509 1.00 0.00 H new ATOM 866 N GLN B 55 4.451 12.531 6.069 1.00 0.00 N ATOM 867 CA GLN B 55 4.142 13.806 6.703 1.00 0.00 C ATOM 868 C GLN B 55 4.234 14.956 5.699 1.00 0.00 C ATOM 869 O GLN B 55 3.522 15.950 5.814 1.00 0.00 O ATOM 870 CB GLN B 55 5.095 14.075 7.874 1.00 0.00 C ATOM 871 CG GLN B 55 5.195 12.938 8.885 1.00 0.00 C ATOM 872 CD GLN B 55 3.853 12.499 9.444 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.903 13.284 9.525 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.772 11.242 9.853 1.00 0.00 N ATOM 0 H GLN B 55 5.441 12.287 6.067 1.00 0.00 H new ATOM 0 HA GLN B 55 3.120 13.746 7.078 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.089 14.279 7.477 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.768 14.977 8.392 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.678 12.084 8.411 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.837 13.251 9.708 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.580 10.625 9.769 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.902 10.891 10.252 1.00 0.00 H new ATOM 883 N ASN B 56 5.098 14.804 4.704 1.00 0.00 N ATOM 884 CA ASN B 56 5.408 15.895 3.779 1.00 0.00 C ATOM 885 C ASN B 56 4.589 15.827 2.494 1.00 0.00 C ATOM 886 O ASN B 56 4.602 16.765 1.694 1.00 0.00 O ATOM 887 CB ASN B 56 6.900 15.885 3.442 1.00 0.00 C ATOM 888 CG ASN B 56 7.744 16.534 4.522 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.056 17.720 4.452 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.120 15.764 5.528 1.00 0.00 N ATOM 0 H ASN B 56 5.599 13.936 4.514 1.00 0.00 H new ATOM 0 HA ASN B 56 5.143 16.825 4.282 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.230 14.856 3.297 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.059 16.407 2.498 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.689 16.151 6.281 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.841 14.783 5.551 1.00 0.00 H new ATOM 897 N SER B 57 3.884 14.729 2.288 1.00 0.00 N ATOM 898 CA SER B 57 3.059 14.570 1.105 1.00 0.00 C ATOM 899 C SER B 57 1.601 14.398 1.496 1.00 0.00 C ATOM 900 O SER B 57 1.103 13.278 1.630 1.00 0.00 O ATOM 901 CB SER B 57 3.527 13.381 0.259 1.00 0.00 C ATOM 902 OG SER B 57 4.785 13.644 -0.338 1.00 0.00 O ATOM 0 H SER B 57 3.867 13.933 2.926 1.00 0.00 H new ATOM 0 HA SER B 57 3.158 15.473 0.502 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.597 12.491 0.884 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.790 13.170 -0.516 1.00 0.00 H new ATOM 0 HG SER B 57 5.496 13.499 0.320 1.00 0.00 H new ATOM 908 N ALA B 58 0.918 15.515 1.675 1.00 0.00 N ATOM 909 CA ALA B 58 -0.500 15.500 1.986 1.00 0.00 C ATOM 910 C ALA B 58 -1.288 15.023 0.774 1.00 0.00 C ATOM 911 O ALA B 58 -2.419 14.555 0.892 1.00 0.00 O ATOM 912 CB ALA B 58 -0.954 16.879 2.419 1.00 0.00 C ATOM 0 H ALA B 58 1.325 16.448 1.610 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.681 14.810 2.810 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.019 16.856 2.650 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.397 17.184 3.305 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.773 17.591 1.614 1.00 0.00 H new ATOM 918 N GLU B 59 -0.652 15.120 -0.388 1.00 0.00 N ATOM 919 CA GLU B 59 -1.224 14.635 -1.632 1.00 0.00 C ATOM 920 C GLU B 59 -1.280 13.112 -1.618 1.00 0.00 C ATOM 921 O GLU B 59 -2.101 12.497 -2.295 1.00 0.00 O ATOM 922 CB GLU B 59 -0.386 15.145 -2.808 1.00 0.00 C ATOM 923 CG GLU B 59 1.114 15.072 -2.557 1.00 0.00 C ATOM 924 CD GLU B 59 1.933 15.747 -3.636 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.569 16.866 -4.052 1.00 0.00 O ATOM 926 OE2 GLU B 59 2.969 15.180 -4.043 1.00 0.00 O1- ATOM 0 H GLU B 59 0.273 15.537 -0.491 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.242 15.009 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.627 14.562 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.662 16.178 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.338 15.536 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.413 14.026 -2.484 1.00 0.00 H new ATOM 933 N LEU B 60 -0.396 12.522 -0.825 1.00 0.00 N ATOM 934 CA LEU B 60 -0.357 11.082 -0.627 1.00 0.00 C ATOM 935 C LEU B 60 -1.363 10.695 0.460 1.00 0.00 C ATOM 936 O LEU B 60 -2.021 9.659 0.383 1.00 0.00 O ATOM 937 CB LEU B 60 1.080 10.673 -0.245 1.00 0.00 C ATOM 938 CG LEU B 60 1.424 9.173 -0.272 1.00 0.00 C ATOM 939 CD1 LEU B 60 0.938 8.461 0.980 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.853 8.514 -1.514 1.00 0.00 C ATOM 0 H LEU B 60 0.315 13.031 -0.300 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.633 10.556 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.766 11.187 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.280 11.046 0.760 1.00 0.00 H new ATOM 0 HG LEU B 60 2.510 9.088 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.200 7.405 0.923 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.409 8.905 1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.144 8.563 1.059 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.108 7.454 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.231 8.627 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.272 8.987 -2.402 1.00 0.00 H new ATOM 952 N GLN B 61 -1.493 11.567 1.457 1.00 0.00 N ATOM 953 CA GLN B 61 -2.381 11.330 2.592 1.00 0.00 C ATOM 954 C GLN B 61 -3.852 11.463 2.199 1.00 0.00 C ATOM 955 O GLN B 61 -4.699 10.722 2.701 1.00 0.00 O ATOM 956 CB GLN B 61 -2.027 12.296 3.732 1.00 0.00 C ATOM 957 CG GLN B 61 -3.082 12.422 4.829 1.00 0.00 C ATOM 958 CD GLN B 61 -3.464 11.104 5.485 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.591 10.947 5.953 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.545 10.154 5.523 1.00 0.00 N ATOM 0 H GLN B 61 -0.989 12.453 1.501 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.236 10.305 2.933 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.091 11.970 4.186 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.848 13.284 3.307 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.712 13.102 5.596 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.978 12.876 4.405 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.621 10.322 5.124 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.760 9.253 5.951 1.00 0.00 H new ATOM 969 N GLU B 62 -4.159 12.386 1.296 1.00 0.00 N ATOM 970 CA GLU B 62 -5.547 12.606 0.898 1.00 0.00 C ATOM 971 C GLU B 62 -6.094 11.380 0.178 1.00 0.00 C ATOM 972 O GLU B 62 -7.293 11.111 0.209 1.00 0.00 O ATOM 973 CB GLU B 62 -5.677 13.842 0.009 1.00 0.00 C ATOM 974 CG GLU B 62 -5.062 13.681 -1.367 1.00 0.00 C ATOM 975 CD GLU B 62 -5.281 14.895 -2.236 1.00 0.00 C ATOM 976 OE1 GLU B 62 -6.430 15.116 -2.673 1.00 0.00 O ATOM 977 OE2 GLU B 62 -4.307 15.632 -2.489 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.479 12.987 0.831 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.132 12.775 1.802 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.733 14.086 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.205 14.688 0.509 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.992 13.497 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.491 12.805 -1.854 1.00 0.00 H new ATOM 984 N LEU B 63 -5.201 10.631 -0.453 1.00 0.00 N ATOM 985 CA LEU B 63 -5.576 9.411 -1.146 1.00 0.00 C ATOM 986 C LEU B 63 -5.920 8.325 -0.138 1.00 0.00 C ATOM 987 O LEU B 63 -6.776 7.476 -0.383 1.00 0.00 O ATOM 988 CB LEU B 63 -4.435 8.958 -2.052 1.00 0.00 C ATOM 989 CG LEU B 63 -4.013 9.985 -3.103 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.724 9.557 -3.775 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.111 10.180 -4.137 1.00 0.00 C ATOM 0 H LEU B 63 -4.206 10.850 -0.498 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.455 9.604 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.571 8.715 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.733 8.040 -2.559 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.843 10.937 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.438 10.299 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.935 9.471 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.870 8.592 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.789 10.915 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.315 9.232 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.017 10.533 -3.644 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.265 8.381 1.014 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.509 7.432 2.089 1.00 0.00 C ATOM 1005 C LEU B 64 -6.837 7.715 2.781 1.00 0.00 C ATOM 1006 O LEU B 64 -7.317 6.901 3.562 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.363 7.465 3.102 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.118 6.677 2.695 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.949 7.027 3.598 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.396 5.182 2.746 1.00 0.00 C ATOM 0 H LEU B 64 -4.555 9.081 1.228 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.562 6.435 1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.078 8.503 3.272 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.727 7.075 4.052 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.858 6.948 1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.071 6.457 3.294 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.735 8.093 3.519 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.201 6.783 4.630 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.500 4.635 2.453 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.679 4.899 3.760 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.209 4.939 2.061 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.431 8.865 2.492 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.746 9.191 3.028 1.00 0.00 C ATOM 1024 C LYS B 65 -9.799 8.278 2.420 1.00 0.00 C ATOM 1025 O LYS B 65 -10.764 7.892 3.081 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.102 10.652 2.757 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.245 11.646 3.520 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.395 11.472 5.023 1.00 0.00 C ATOM 1029 CE LYS B 65 -7.719 12.600 5.786 1.00 0.00 C ATOM 1030 NZ LYS B 65 -8.343 13.916 5.492 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.026 9.584 1.893 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.720 9.040 4.107 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.004 10.847 1.689 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.148 10.815 3.016 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.199 11.517 3.240 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.527 12.661 3.240 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -9.453 11.439 5.282 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.963 10.518 5.325 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -7.777 12.401 6.856 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -6.661 12.633 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -8.093 14.594 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.997 14.267 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.377 13.809 5.454 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.588 7.915 1.163 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.497 7.025 0.461 1.00 0.00 C ATOM 1046 C TYR B 66 -10.387 5.617 1.027 1.00 0.00 C ATOM 1047 O TYR B 66 -9.289 5.073 1.175 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.187 7.020 -1.038 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.303 8.383 -1.682 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.524 8.849 -2.148 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.192 9.206 -1.817 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.636 10.095 -2.730 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.297 10.456 -2.397 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.521 10.895 -2.852 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.633 12.142 -3.426 1.00 0.00 O ATOM 0 H TYR B 66 -8.791 8.226 0.608 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.517 7.383 0.602 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.177 6.639 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.867 6.331 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.401 8.226 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.231 8.863 -1.463 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.594 10.442 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.424 11.085 -2.493 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.755 12.578 -3.435 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.527 5.033 1.357 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.558 3.710 1.965 1.00 0.00 C ATOM 1067 C ASN B 67 -11.298 2.624 0.933 1.00 0.00 C ATOM 1068 O ASN B 67 -10.911 1.511 1.280 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.893 3.464 2.669 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.049 4.309 3.917 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.064 4.688 4.550 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.285 4.602 4.283 1.00 0.00 N ATOM 0 H ASN B 67 -12.445 5.454 1.214 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.762 3.671 2.709 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.710 3.682 1.981 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.973 2.410 2.934 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.450 5.163 5.119 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.074 4.268 3.729 1.00 0.00 H new ATOM 1079 N THR B 68 -11.484 2.963 -0.336 1.00 0.00 N ATOM 1080 CA THR B 68 -11.213 2.036 -1.423 1.00 0.00 C ATOM 1081 C THR B 68 -9.710 1.825 -1.542 1.00 0.00 C ATOM 1082 O THR B 68 -9.229 0.727 -1.840 1.00 0.00 O ATOM 1083 CB THR B 68 -11.776 2.576 -2.757 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.194 2.755 -2.653 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.465 1.636 -3.913 1.00 0.00 C ATOM 0 H THR B 68 -11.823 3.877 -0.637 1.00 0.00 H new ATOM 0 HA THR B 68 -11.702 1.086 -1.206 1.00 0.00 H new ATOM 0 HB THR B 68 -11.297 3.534 -2.958 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.543 3.099 -3.502 1.00 0.00 H new ATOM 0 HG21 THR B 68 -11.875 2.046 -4.836 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.385 1.527 -4.013 1.00 0.00 H new ATOM 0 HG23 THR B 68 -11.912 0.661 -3.719 1.00 0.00 H new ATOM 1093 N VAL B 69 -8.981 2.892 -1.263 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.533 2.881 -1.299 1.00 0.00 C ATOM 1095 C VAL B 69 -6.975 2.045 -0.162 1.00 0.00 C ATOM 1096 O VAL B 69 -6.307 1.036 -0.391 1.00 0.00 O ATOM 1097 CB VAL B 69 -6.996 4.318 -1.201 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.487 4.342 -1.059 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.430 5.106 -2.414 1.00 0.00 C ATOM 0 H VAL B 69 -9.381 3.794 -1.004 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.214 2.440 -2.243 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.412 4.778 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.144 5.375 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.198 3.805 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.032 3.864 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.048 6.124 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.037 4.634 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.519 5.129 -2.462 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.276 2.471 1.060 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.824 1.767 2.263 1.00 0.00 C ATOM 1111 C LYS B 70 -7.163 0.280 2.198 1.00 0.00 C ATOM 1112 O LYS B 70 -6.363 -0.560 2.600 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.440 2.379 3.525 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.972 3.795 3.821 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.399 4.251 5.212 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.912 4.383 5.336 1.00 0.00 C ATOM 1117 NZ LYS B 70 -9.447 5.511 4.532 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.834 3.304 1.248 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.740 1.876 2.309 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.525 2.381 3.422 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.201 1.743 4.378 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.886 3.844 3.739 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.379 4.476 3.074 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.036 3.539 5.953 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.933 5.210 5.437 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.383 3.454 5.014 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.177 4.528 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -10.366 5.243 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -9.568 6.345 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.782 5.737 3.765 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.346 -0.034 1.680 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.788 -1.418 1.539 1.00 0.00 C ATOM 1133 C PHE B 71 -7.797 -2.236 0.714 1.00 0.00 C ATOM 1134 O PHE B 71 -7.337 -3.292 1.145 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.171 -1.459 0.884 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.599 -2.827 0.429 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.101 -3.751 1.330 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.505 -3.182 -0.908 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.501 -5.003 0.906 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -10.901 -4.432 -1.336 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.400 -5.345 -0.427 1.00 0.00 C ATOM 0 H PHE B 71 -9.020 0.656 1.349 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.843 -1.859 2.534 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.907 -1.077 1.592 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.174 -0.786 0.027 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.181 -3.490 2.375 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.117 -2.471 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.893 -5.714 1.618 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -10.821 -4.697 -2.380 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.710 -6.325 -0.759 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.465 -1.735 -0.468 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.582 -2.449 -1.380 1.00 0.00 C ATOM 1153 C HIS B 72 -5.175 -2.553 -0.813 1.00 0.00 C ATOM 1154 O HIS B 72 -4.512 -3.579 -0.959 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.547 -1.758 -2.744 1.00 0.00 C ATOM 1156 CG HIS B 72 -7.731 -2.072 -3.602 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -8.893 -1.335 -3.589 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -7.925 -3.057 -4.507 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -9.752 -1.857 -4.445 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.187 -2.900 -5.015 1.00 0.00 N ATOM 0 H HIS B 72 -7.794 -0.835 -0.818 1.00 0.00 H new ATOM 0 HA HIS B 72 -6.977 -3.457 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.492 -0.680 -2.595 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.639 -2.054 -3.269 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.064 -0.514 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.216 -3.825 -4.779 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -10.748 -1.491 -4.644 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.737 -1.495 -0.152 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.402 -1.456 0.423 1.00 0.00 C ATOM 1171 C LEU B 73 -3.293 -2.413 1.606 1.00 0.00 C ATOM 1172 O LEU B 73 -2.272 -3.066 1.799 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.061 -0.034 0.864 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.163 1.035 -0.226 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.792 2.395 0.338 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.274 0.690 -1.412 1.00 0.00 C ATOM 0 H LEU B 73 -5.287 -0.650 0.000 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.691 -1.772 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.724 0.243 1.683 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.046 -0.029 1.260 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.194 1.069 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.868 3.148 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.471 2.649 1.152 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.770 2.366 0.715 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.365 1.466 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.237 0.625 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.583 -0.268 -1.832 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.355 -2.503 2.394 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.368 -3.399 3.540 1.00 0.00 C ATOM 1190 C ALA B 74 -4.304 -4.850 3.091 1.00 0.00 C ATOM 1191 O ALA B 74 -3.720 -5.694 3.772 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.600 -3.159 4.391 1.00 0.00 C ATOM 0 H ALA B 74 -5.214 -1.969 2.261 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.486 -3.190 4.145 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.592 -3.839 5.243 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.601 -2.129 4.748 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.495 -3.336 3.794 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.890 -5.135 1.935 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.865 -6.481 1.388 1.00 0.00 C ATOM 1200 C LYS B 75 -3.443 -6.895 1.030 1.00 0.00 C ATOM 1201 O LYS B 75 -3.070 -8.055 1.205 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.773 -6.592 0.164 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.240 -6.347 0.476 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.127 -6.616 -0.728 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.197 -8.098 -1.057 1.00 0.00 C ATOM 1206 NZ LYS B 75 -9.109 -8.374 -2.198 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.386 -4.453 1.361 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.240 -7.158 2.156 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.445 -5.875 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.663 -7.585 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.547 -6.987 1.303 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.375 -5.316 0.803 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.131 -6.239 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.745 -6.070 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.198 -8.464 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.537 -8.648 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -9.127 -9.396 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -10.068 -8.049 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.771 -7.870 -3.043 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.641 -5.953 0.547 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.261 -6.267 0.209 1.00 0.00 C ATOM 1222 C VAL B 76 -0.429 -6.358 1.483 1.00 0.00 C ATOM 1223 O VAL B 76 0.515 -7.138 1.565 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.633 -5.252 -0.781 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.610 -4.918 -1.895 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.159 -3.984 -0.086 1.00 0.00 C ATOM 0 H VAL B 76 -2.916 -4.985 0.384 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.264 -7.230 -0.301 1.00 0.00 H new ATOM 0 HB VAL B 76 0.247 -5.728 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.151 -4.204 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.868 -5.827 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.513 -4.482 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.273 -3.305 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.004 -3.499 0.403 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.594 -4.238 0.660 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.815 -5.580 2.491 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.169 -5.629 3.795 1.00 0.00 C ATOM 1238 C TYR B 77 -0.311 -7.020 4.406 1.00 0.00 C ATOM 1239 O TYR B 77 0.620 -7.533 5.029 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.771 -4.568 4.723 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.289 -4.657 6.155 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.068 -4.668 6.455 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.193 -4.728 7.206 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.509 -4.750 7.762 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.760 -4.809 8.515 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.590 -4.819 8.789 1.00 0.00 C ATOM 1247 OH TYR B 77 1.023 -4.905 10.091 1.00 0.00 O ATOM 0 H TYR B 77 -1.577 -4.905 2.426 1.00 0.00 H new ATOM 0 HA TYR B 77 0.893 -5.417 3.669 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.532 -3.579 4.331 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.857 -4.662 4.709 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.790 -4.612 5.653 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.252 -4.720 6.997 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.567 -4.760 7.978 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.477 -4.864 9.321 1.00 0.00 H new ATOM 0 HH TYR B 77 0.249 -4.944 10.691 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.473 -7.634 4.202 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.719 -8.993 4.677 1.00 0.00 C ATOM 1259 C ARG B 78 -0.771 -9.976 4.002 1.00 0.00 C ATOM 1260 O ARG B 78 -0.491 -11.053 4.524 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.162 -9.408 4.408 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.172 -8.490 5.060 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.552 -9.120 5.114 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.072 -9.453 3.786 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.331 -9.825 3.553 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.202 -9.890 4.551 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -7.714 -10.138 2.321 1.00 0.00 N ATOM 0 H ARG B 78 -2.260 -7.212 3.710 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.542 -9.008 5.752 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.335 -9.424 3.332 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.316 -10.424 4.771 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.843 -8.247 6.070 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.222 -7.552 4.507 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.511 -10.024 5.721 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -6.241 -8.435 5.609 1.00 0.00 H new ATOM 0 HE ARG B 78 -5.433 -9.397 2.993 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.909 -9.655 5.499 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.165 -10.175 4.370 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -7.045 -10.094 1.552 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -8.677 -10.423 2.143 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.285 -9.595 2.833 1.00 0.00 N ATOM 1282 CA ILE B 79 0.638 -10.427 2.078 1.00 0.00 C ATOM 1283 C ILE B 79 2.051 -10.327 2.647 1.00 0.00 C ATOM 1284 O ILE B 79 2.731 -11.338 2.808 1.00 0.00 O ATOM 1285 CB ILE B 79 0.654 -10.044 0.587 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.759 -10.112 0.009 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.590 -10.960 -0.187 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.844 -9.658 -1.427 1.00 0.00 C ATOM 0 H ILE B 79 -0.516 -8.709 2.383 1.00 0.00 H new ATOM 0 HA ILE B 79 0.288 -11.456 2.167 1.00 0.00 H new ATOM 0 HB ILE B 79 1.019 -9.021 0.494 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.123 -11.137 0.080 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.422 -9.496 0.617 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.590 -10.676 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.600 -10.870 0.213 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.252 -11.992 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.875 -9.733 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.511 -8.623 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.208 -10.290 -2.047 1.00 0.00 H new ATOM 1300 N LEU B 80 2.490 -9.109 2.964 1.00 0.00 N ATOM 1301 CA LEU B 80 3.810 -8.915 3.565 1.00 0.00 C ATOM 1302 C LEU B 80 3.819 -9.431 4.999 1.00 0.00 C ATOM 1303 O LEU B 80 4.875 -9.706 5.568 1.00 0.00 O ATOM 1304 CB LEU B 80 4.250 -7.442 3.537 1.00 0.00 C ATOM 1305 CG LEU B 80 4.626 -6.869 2.162 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.445 -7.868 1.357 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.390 -6.435 1.398 1.00 0.00 C ATOM 0 H LEU B 80 1.958 -8.251 2.817 1.00 0.00 H new ATOM 0 HA LEU B 80 4.522 -9.484 2.967 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.444 -6.836 3.951 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.107 -7.328 4.201 1.00 0.00 H new ATOM 0 HG LEU B 80 5.245 -5.987 2.325 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.697 -7.436 0.389 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.361 -8.107 1.897 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.864 -8.778 1.208 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.684 -6.033 0.428 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.733 -7.292 1.251 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.863 -5.667 1.964 1.00 0.00 H new ATOM 1319 N SER B 81 2.634 -9.572 5.574 1.00 0.00 N ATOM 1320 CA SER B 81 2.488 -10.163 6.892 1.00 0.00 C ATOM 1321 C SER B 81 2.320 -11.674 6.754 1.00 0.00 C ATOM 1322 O SER B 81 1.873 -12.352 7.684 1.00 0.00 O ATOM 1323 CB SER B 81 1.287 -9.549 7.620 1.00 0.00 C ATOM 1324 OG SER B 81 1.228 -9.974 8.971 1.00 0.00 O ATOM 0 H SER B 81 1.756 -9.283 5.144 1.00 0.00 H new ATOM 0 HA SER B 81 3.382 -9.958 7.482 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.354 -8.462 7.582 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.367 -9.830 7.108 1.00 0.00 H new ATOM 0 HG SER B 81 1.455 -10.926 9.025 1.00 0.00 H new ATOM 1509 N LEU B 96 9.411 -14.093 -0.338 1.00 0.00 N ATOM 1510 CA LEU B 96 8.597 -14.625 -1.418 1.00 0.00 C ATOM 1511 C LEU B 96 7.282 -13.855 -1.485 1.00 0.00 C ATOM 1512 O LEU B 96 6.713 -13.657 -2.559 1.00 0.00 O ATOM 1513 CB LEU B 96 8.358 -16.130 -1.196 1.00 0.00 C ATOM 1514 CG LEU B 96 6.972 -16.529 -0.677 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.007 -16.776 -1.829 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.076 -17.760 0.202 1.00 0.00 C ATOM 0 HA LEU B 96 9.113 -14.505 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.531 -16.647 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.105 -16.495 -0.491 1.00 0.00 H new ATOM 0 HG LEU B 96 6.580 -15.704 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.031 -17.057 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.909 -15.867 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.389 -17.580 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.085 -18.033 0.564 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.491 -18.586 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU B 96 7.727 -17.547 1.050 1.00 0.00 H new ATOM 1528 N GLN B 97 6.822 -13.401 -0.319 1.00 0.00 N ATOM 1529 CA GLN B 97 5.579 -12.646 -0.219 1.00 0.00 C ATOM 1530 C GLN B 97 5.675 -11.336 -0.993 1.00 0.00 C ATOM 1531 O GLN B 97 4.658 -10.777 -1.395 1.00 0.00 O ATOM 1532 CB GLN B 97 5.232 -12.362 1.246 1.00 0.00 C ATOM 1533 CG GLN B 97 5.010 -13.616 2.087 1.00 0.00 C ATOM 1534 CD GLN B 97 3.832 -14.457 1.622 1.00 0.00 C ATOM 1535 OE1 GLN B 97 3.835 -15.679 1.763 1.00 0.00 O ATOM 1536 NE2 GLN B 97 2.805 -13.812 1.092 1.00 0.00 N ATOM 0 H GLN B 97 7.297 -13.546 0.572 1.00 0.00 H new ATOM 0 HA GLN B 97 4.786 -13.252 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.036 -11.776 1.692 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.332 -11.748 1.283 1.00 0.00 H new ATOM 0 HG2 GLN B 97 5.914 -14.225 2.062 1.00 0.00 H new ATOM 0 HG3 GLN B 97 4.851 -13.324 3.125 1.00 0.00 H new ATOM 0 HE21 GLN B 97 2.837 -12.798 0.990 1.00 0.00 H new ATOM 0 HE22 GLN B 97 1.981 -14.329 0.785 1.00 0.00 H new ATOM 1545 N LYS B 98 6.901 -10.852 -1.195 1.00 0.00 N ATOM 1546 CA LYS B 98 7.137 -9.670 -2.021 1.00 0.00 C ATOM 1547 C LYS B 98 6.490 -9.840 -3.390 1.00 0.00 C ATOM 1548 O LYS B 98 5.807 -8.944 -3.882 1.00 0.00 O ATOM 1549 CB LYS B 98 8.637 -9.426 -2.213 1.00 0.00 C ATOM 1550 CG LYS B 98 9.215 -8.303 -1.367 1.00 0.00 C ATOM 1551 CD LYS B 98 9.314 -8.674 0.102 1.00 0.00 C ATOM 1552 CE LYS B 98 10.071 -7.610 0.878 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.255 -7.973 2.309 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.746 -11.262 -0.797 1.00 0.00 H new ATOM 0 HA LYS B 98 6.696 -8.816 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.173 -10.347 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.823 -9.203 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.206 -8.044 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.592 -7.415 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.314 -8.793 0.520 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.819 -9.634 0.206 1.00 0.00 H new ATOM 0 HE2 LYS B 98 11.047 -7.454 0.418 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.533 -6.665 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.776 -7.216 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.325 -8.096 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.792 -8.861 2.376 1.00 0.00 H new ATOM 1567 N GLU B 99 6.695 -11.011 -3.982 1.00 0.00 N ATOM 1568 CA GLU B 99 6.186 -11.304 -5.312 1.00 0.00 C ATOM 1569 C GLU B 99 4.666 -11.208 -5.334 1.00 0.00 C ATOM 1570 O GLU B 99 4.087 -10.519 -6.174 1.00 0.00 O ATOM 1571 CB GLU B 99 6.627 -12.702 -5.741 1.00 0.00 C ATOM 1572 CG GLU B 99 7.136 -12.767 -7.168 1.00 0.00 C ATOM 1573 CD GLU B 99 8.313 -11.843 -7.394 1.00 0.00 C ATOM 1574 OE1 GLU B 99 9.402 -12.116 -6.843 1.00 0.00 O ATOM 1575 OE2 GLU B 99 8.155 -10.833 -8.113 1.00 0.00 O1- ATOM 0 H GLU B 99 7.215 -11.778 -3.555 1.00 0.00 H new ATOM 0 HA GLU B 99 6.591 -10.571 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.411 -13.049 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU B 99 5.787 -13.388 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU B 99 7.429 -13.791 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU B 99 6.330 -12.502 -7.852 1.00 0.00 H new ATOM 1582 N LEU B 100 4.028 -11.884 -4.388 1.00 0.00 N ATOM 1583 CA LEU B 100 2.571 -11.886 -4.288 1.00 0.00 C ATOM 1584 C LEU B 100 2.050 -10.486 -3.979 1.00 0.00 C ATOM 1585 O LEU B 100 0.987 -10.090 -4.457 1.00 0.00 O ATOM 1586 CB LEU B 100 2.095 -12.873 -3.210 1.00 0.00 C ATOM 1587 CG LEU B 100 2.148 -14.366 -3.578 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.321 -14.643 -4.823 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.582 -14.835 -3.774 1.00 0.00 C ATOM 0 H LEU B 100 4.498 -12.441 -3.674 1.00 0.00 H new ATOM 0 HA LEU B 100 2.172 -12.205 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU B 100 2.699 -12.720 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.067 -12.622 -2.947 1.00 0.00 H new ATOM 0 HG LEU B 100 1.721 -14.928 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.372 -15.704 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.284 -14.362 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.713 -14.061 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.586 -15.894 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.045 -14.263 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.143 -14.685 -2.852 1.00 0.00 H new ATOM 1601 N ALA B 101 2.813 -9.740 -3.191 1.00 0.00 N ATOM 1602 CA ALA B 101 2.443 -8.380 -2.835 1.00 0.00 C ATOM 1603 C ALA B 101 2.439 -7.486 -4.071 1.00 0.00 C ATOM 1604 O ALA B 101 1.466 -6.777 -4.329 1.00 0.00 O ATOM 1605 CB ALA B 101 3.382 -7.834 -1.765 1.00 0.00 C ATOM 0 H ALA B 101 3.694 -10.057 -2.786 1.00 0.00 H new ATOM 0 HA ALA B 101 1.434 -8.390 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.090 -6.815 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.324 -8.461 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.404 -7.835 -2.143 1.00 0.00 H new ATOM 1611 N VAL B 102 3.515 -7.547 -4.853 1.00 0.00 N ATOM 1612 CA VAL B 102 3.612 -6.765 -6.084 1.00 0.00 C ATOM 1613 C VAL B 102 2.521 -7.174 -7.069 1.00 0.00 C ATOM 1614 O VAL B 102 1.975 -6.337 -7.786 1.00 0.00 O ATOM 1615 CB VAL B 102 4.991 -6.922 -6.767 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.072 -6.075 -8.030 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.111 -6.548 -5.817 1.00 0.00 C ATOM 0 H VAL B 102 4.330 -8.128 -4.657 1.00 0.00 H new ATOM 0 HA VAL B 102 3.485 -5.720 -5.801 1.00 0.00 H new ATOM 0 HB VAL B 102 5.106 -7.970 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.051 -6.203 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.297 -6.390 -8.729 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.926 -5.026 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.070 -6.667 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.991 -5.511 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.078 -7.197 -4.942 1.00 0.00 H new ATOM 1627 N ASN B 103 2.192 -8.465 -7.077 1.00 0.00 N ATOM 1628 CA ASN B 103 1.153 -8.999 -7.961 1.00 0.00 C ATOM 1629 C ASN B 103 -0.161 -8.253 -7.784 1.00 0.00 C ATOM 1630 O ASN B 103 -0.915 -8.067 -8.741 1.00 0.00 O ATOM 1631 CB ASN B 103 0.936 -10.491 -7.702 1.00 0.00 C ATOM 1632 CG ASN B 103 1.706 -11.372 -8.664 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.188 -11.769 -9.707 1.00 0.00 O ATOM 1634 ND2 ASN B 103 2.941 -11.689 -8.324 1.00 0.00 N ATOM 0 H ASN B 103 2.631 -9.165 -6.479 1.00 0.00 H new ATOM 0 HA ASN B 103 1.495 -8.860 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.237 -10.725 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN B 103 -0.127 -10.718 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.502 -12.283 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.335 -11.340 -7.450 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.424 -7.814 -6.561 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.623 -7.047 -6.274 1.00 0.00 C ATOM 1643 C TYR B 104 -1.505 -5.642 -6.836 1.00 0.00 C ATOM 1644 O TYR B 104 -2.377 -5.194 -7.570 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.892 -7.002 -4.772 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.696 -8.175 -4.268 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.291 -9.481 -4.515 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.863 -7.976 -3.543 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.027 -10.554 -4.055 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.604 -9.044 -3.078 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.181 -10.330 -3.337 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.917 -11.398 -2.877 1.00 0.00 O ATOM 0 H TYR B 104 0.178 -7.977 -5.754 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.466 -7.542 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.940 -6.970 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.422 -6.080 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.386 -9.659 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.197 -6.969 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.700 -11.563 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.509 -8.873 -2.515 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.700 -11.069 -2.389 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.407 -4.961 -6.531 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.213 -3.595 -7.014 1.00 0.00 C ATOM 1664 C LEU B 105 -0.154 -3.560 -8.538 1.00 0.00 C ATOM 1665 O LEU B 105 -0.443 -2.540 -9.153 1.00 0.00 O ATOM 1666 CB LEU B 105 1.046 -2.943 -6.429 1.00 0.00 C ATOM 1667 CG LEU B 105 0.961 -2.523 -4.954 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.310 -1.734 -4.686 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.046 -3.727 -4.034 1.00 0.00 C ATOM 0 H LEU B 105 0.355 -5.324 -5.959 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.074 -3.019 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.877 -3.639 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.285 -2.062 -7.024 1.00 0.00 H new ATOM 0 HG LEU B 105 1.815 -1.878 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.346 -1.449 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.319 -0.838 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.177 -2.349 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.983 -3.398 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.223 -4.408 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.994 -4.241 -4.194 1.00 0.00 H new ATOM 1681 N ASN B 106 0.215 -4.681 -9.144 1.00 0.00 N ATOM 1682 CA ASN B 106 0.236 -4.789 -10.598 1.00 0.00 C ATOM 1683 C ASN B 106 -1.176 -4.839 -11.173 1.00 0.00 C ATOM 1684 O ASN B 106 -1.373 -4.592 -12.361 1.00 0.00 O ATOM 1685 CB ASN B 106 1.028 -6.016 -11.049 1.00 0.00 C ATOM 1686 CG ASN B 106 2.527 -5.811 -10.940 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.025 -4.689 -11.067 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.255 -6.892 -10.716 1.00 0.00 N ATOM 0 H ASN B 106 0.503 -5.527 -8.653 1.00 0.00 H new ATOM 0 HA ASN B 106 0.731 -3.896 -10.979 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.737 -6.875 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.771 -6.251 -12.082 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.270 -6.817 -10.642 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.802 -7.801 -10.617 1.00 0.00 H new ATOM 1695 N THR B 107 -2.163 -5.142 -10.338 1.00 0.00 N ATOM 1696 CA THR B 107 -3.547 -5.124 -10.789 1.00 0.00 C ATOM 1697 C THR B 107 -4.172 -3.789 -10.415 1.00 0.00 C ATOM 1698 O THR B 107 -5.264 -3.437 -10.867 1.00 0.00 O ATOM 1699 CB THR B 107 -4.381 -6.285 -10.198 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.496 -6.161 -8.774 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.758 -7.630 -10.542 1.00 0.00 C ATOM 0 H THR B 107 -2.033 -5.399 -9.360 1.00 0.00 H new ATOM 0 HA THR B 107 -3.548 -5.257 -11.871 1.00 0.00 H new ATOM 0 HB THR B 107 -5.376 -6.231 -10.639 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.829 -5.523 -8.446 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.362 -8.431 -10.116 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.716 -7.745 -11.625 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.749 -7.679 -10.132 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.443 -3.058 -9.578 1.00 0.00 N ATOM 1710 CA LEU B 108 -3.805 -1.704 -9.189 1.00 0.00 C ATOM 1711 C LEU B 108 -3.080 -0.707 -10.083 1.00 0.00 C ATOM 1712 O LEU B 108 -3.301 0.500 -10.006 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.427 -1.445 -7.728 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.429 -1.913 -6.663 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -5.754 -1.185 -6.813 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.640 -3.414 -6.723 1.00 0.00 C ATOM 0 H LEU B 108 -2.580 -3.392 -9.149 1.00 0.00 H new ATOM 0 HA LEU B 108 -4.883 -1.585 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.471 -1.931 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.272 -0.374 -7.602 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.008 -1.672 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.449 -1.532 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -5.595 -0.113 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.170 -1.387 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.355 -3.712 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.026 -3.688 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.691 -3.922 -6.551 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.207 -1.242 -10.922 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.434 -0.450 -11.862 1.00 0.00 C ATOM 1730 C ARG B 109 -2.335 0.012 -12.999 1.00 0.00 C ATOM 1731 O ARG B 109 -3.319 -0.656 -13.325 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.288 -1.306 -12.420 1.00 0.00 C ATOM 1733 CG ARG B 109 0.738 -0.528 -13.230 1.00 0.00 C ATOM 1734 CD ARG B 109 1.677 0.261 -12.332 1.00 0.00 C ATOM 1735 NE ARG B 109 2.557 -0.612 -11.552 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.604 -0.176 -10.849 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.872 1.122 -10.792 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.377 -1.035 -10.192 1.00 0.00 N ATOM 0 H ARG B 109 -2.015 -2.243 -10.969 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.021 0.423 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG B 109 0.219 -1.798 -11.590 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.709 -2.091 -13.048 1.00 0.00 H new ATOM 0 HG2 ARG B 109 1.316 -1.218 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.226 0.153 -13.910 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.281 0.933 -12.941 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.092 0.884 -11.655 1.00 0.00 H new ATOM 0 HE ARG B 109 2.358 -1.612 -11.546 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.277 1.788 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.673 1.454 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.171 -2.034 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.176 -0.696 -9.656 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.013 1.161 -13.582 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.724 1.645 -14.756 1.00 0.00 C ATOM 1754 C TYR B 110 -2.692 0.584 -15.848 1.00 0.00 C ATOM 1755 O TYR B 110 -1.623 0.111 -16.233 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.096 2.948 -15.259 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.729 3.481 -16.524 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.027 3.971 -16.520 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -2.025 3.498 -17.721 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.608 4.462 -17.671 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -2.600 3.986 -18.878 1.00 0.00 C ATOM 1762 CZ TYR B 110 -3.892 4.465 -18.847 1.00 0.00 C ATOM 1763 OH TYR B 110 -4.468 4.958 -19.994 1.00 0.00 O ATOM 0 H TYR B 110 -1.264 1.774 -13.260 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.761 1.846 -14.487 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.175 3.704 -14.478 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.033 2.783 -15.437 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.592 3.968 -15.600 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -1.012 3.124 -17.748 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.619 4.842 -17.650 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -2.040 3.992 -19.802 1.00 0.00 H new ATOM 0 HH TYR B 110 -3.831 4.890 -20.735 1.00 0.00 H new ATOM 1773 N GLY B 111 -3.864 0.209 -16.334 1.00 0.00 N ATOM 1774 CA GLY B 111 -3.953 -0.878 -17.283 1.00 0.00 C ATOM 1775 C GLY B 111 -4.064 -2.217 -16.584 1.00 0.00 C ATOM 1776 O GLY B 111 -3.533 -3.223 -17.057 1.00 0.00 O ATOM 0 H GLY B 111 -4.756 0.639 -16.088 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -4.820 -0.730 -17.927 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.073 -0.874 -17.926 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.732 -2.218 -15.439 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.948 -3.444 -14.703 1.00 0.00 C ATOM 1782 C GLY B 112 -6.389 -3.901 -14.781 1.00 0.00 C ATOM 1783 O GLY B 112 -7.087 -3.609 -15.754 1.00 0.00 O ATOM 0 H GLY B 112 -5.130 -1.385 -15.006 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.297 -4.224 -15.098 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.670 -3.295 -13.660 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.842 -4.607 -13.758 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.212 -5.107 -13.734 1.00 0.00 C ATOM 1789 C ILE B 113 -9.073 -4.346 -12.730 1.00 0.00 C ATOM 1790 O ILE B 113 -10.187 -3.937 -13.046 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.267 -6.621 -13.427 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.403 -6.968 -12.209 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.824 -7.416 -14.647 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.456 -8.430 -11.817 1.00 0.00 C ATOM 0 H ILE B 113 -6.287 -4.847 -12.937 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.616 -4.943 -14.733 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.297 -6.888 -13.189 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.369 -6.695 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.726 -6.363 -11.362 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.866 -8.482 -14.422 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.486 -7.196 -15.485 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.803 -7.141 -14.910 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.820 -8.597 -10.948 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.482 -8.704 -11.573 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.104 -9.042 -12.647 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.558 -4.145 -11.526 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.316 -3.468 -10.479 1.00 0.00 C ATOM 1808 C HIS B 114 -8.514 -2.307 -9.916 1.00 0.00 C ATOM 1809 O HIS B 114 -8.413 -2.138 -8.701 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.672 -4.442 -9.350 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.390 -5.670 -9.812 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.961 -6.944 -9.515 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.510 -5.817 -10.556 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.786 -7.820 -10.057 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.735 -7.162 -10.692 1.00 0.00 N ATOM 0 H HIS B 114 -7.622 -4.439 -11.248 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.238 -3.089 -10.920 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.757 -4.739 -8.838 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.292 -3.924 -8.619 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.115 -5.022 -10.967 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.698 -8.894 -9.991 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.511 -7.585 -11.202 1.00 0.00 H new ATOM 1824 N TYR B 115 -7.937 -1.513 -10.801 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.091 -0.416 -10.378 1.00 0.00 C ATOM 1826 C TYR B 115 -7.932 0.808 -10.046 1.00 0.00 C ATOM 1827 O TYR B 115 -8.945 1.081 -10.695 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.037 -0.103 -11.443 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.483 0.842 -12.528 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -7.285 0.413 -13.576 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -6.083 2.169 -12.507 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.675 1.283 -14.571 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -6.471 3.045 -13.492 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.266 2.600 -14.524 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.640 3.472 -15.519 1.00 0.00 O ATOM 0 H TYR B 115 -8.039 -1.608 -11.811 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.563 -0.712 -9.472 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.161 0.321 -10.951 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -5.721 -1.038 -11.905 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -7.608 -0.617 -13.612 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -5.455 2.521 -11.702 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -8.297 0.936 -15.383 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -6.154 4.077 -13.457 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.269 4.360 -15.333 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.517 1.531 -9.022 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.260 2.690 -8.556 1.00 0.00 C ATOM 1847 C ASN B 116 -7.547 3.963 -8.976 1.00 0.00 C ATOM 1848 O ASN B 116 -6.318 3.992 -9.073 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.400 2.665 -7.031 1.00 0.00 C ATOM 1850 CG ASN B 116 -8.996 1.374 -6.493 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -8.638 0.931 -5.401 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.921 0.775 -7.230 1.00 0.00 N ATOM 0 H ASN B 116 -6.666 1.336 -8.495 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.254 2.662 -9.001 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.418 2.816 -6.582 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -9.025 3.501 -6.719 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.362 -0.083 -6.897 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.192 1.172 -8.130 1.00 0.00 H new ATOM 1859 N GLU B 117 -8.320 5.017 -9.207 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.771 6.300 -9.626 1.00 0.00 C ATOM 1861 C GLU B 117 -6.850 6.871 -8.550 1.00 0.00 C ATOM 1862 O GLU B 117 -5.843 7.510 -8.854 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.897 7.293 -9.931 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.769 7.622 -8.729 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.805 8.681 -9.029 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.432 9.868 -9.140 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -11.997 8.333 -9.150 1.00 0.00 O ATOM 0 H GLU B 117 -9.335 5.007 -9.110 1.00 0.00 H new ATOM 0 HA GLU B 117 -7.189 6.138 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.461 8.215 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -9.525 6.884 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -10.270 6.715 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.136 7.961 -7.909 1.00 0.00 H new ATOM 1874 N ALA B 118 -7.194 6.620 -7.291 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.416 7.127 -6.175 1.00 0.00 C ATOM 1876 C ALA B 118 -5.152 6.301 -5.974 1.00 0.00 C ATOM 1877 O ALA B 118 -4.160 6.799 -5.459 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.253 7.148 -4.905 1.00 0.00 C ATOM 0 H ALA B 118 -8.008 6.068 -7.022 1.00 0.00 H new ATOM 0 HA ALA B 118 -6.117 8.150 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.653 7.531 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.121 7.791 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.586 6.137 -4.672 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.188 5.041 -6.401 1.00 0.00 N ATOM 1885 CA ILE B 119 -4.025 4.166 -6.280 1.00 0.00 C ATOM 1886 C ILE B 119 -3.010 4.492 -7.369 1.00 0.00 C ATOM 1887 O ILE B 119 -1.801 4.435 -7.138 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.415 2.671 -6.353 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.344 2.304 -5.192 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.170 1.787 -6.332 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.666 2.322 -3.841 1.00 0.00 C ATOM 0 H ILE B 119 -6.004 4.605 -6.831 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.581 4.344 -5.300 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.943 2.501 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.183 2.999 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.756 1.310 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.467 0.739 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.538 2.028 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.615 1.962 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.386 2.052 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.844 1.606 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.278 3.321 -3.642 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.512 4.841 -8.549 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.665 5.307 -9.638 1.00 0.00 C ATOM 1905 C GLU B 120 -1.842 6.506 -9.169 1.00 0.00 C ATOM 1906 O GLU B 120 -0.618 6.533 -9.311 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.530 5.692 -10.845 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.736 6.168 -12.051 1.00 0.00 C ATOM 1909 CD GLU B 120 -3.626 6.667 -13.172 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -4.255 7.731 -13.005 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -3.691 6.012 -14.233 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.506 4.809 -8.775 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.987 4.508 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -4.132 4.831 -11.136 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -4.223 6.479 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.060 6.967 -11.745 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -2.117 5.350 -12.420 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.529 7.480 -8.579 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.876 8.656 -8.021 1.00 0.00 C ATOM 1920 C GLU B 121 -1.001 8.275 -6.829 1.00 0.00 C ATOM 1921 O GLU B 121 0.121 8.765 -6.696 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.921 9.686 -7.589 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.761 10.224 -8.736 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.951 11.047 -9.715 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -2.323 10.466 -10.619 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.936 12.288 -9.586 1.00 0.00 O ATOM 0 H GLU B 121 -3.544 7.476 -8.476 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.242 9.092 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.581 9.233 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.416 10.518 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -4.224 9.391 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.569 10.836 -8.334 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.525 7.394 -5.976 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.818 6.936 -4.779 1.00 0.00 C ATOM 1935 C PHE B 122 0.581 6.461 -5.129 1.00 0.00 C ATOM 1936 O PHE B 122 1.566 6.989 -4.619 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.592 5.796 -4.108 1.00 0.00 C ATOM 1938 CG PHE B 122 -1.014 5.341 -2.794 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.027 4.364 -2.751 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -1.457 5.891 -1.600 1.00 0.00 C ATOM 1941 CE1 PHE B 122 0.504 3.947 -1.546 1.00 0.00 C ATOM 1942 CE2 PHE B 122 -0.929 5.476 -0.392 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.053 4.505 -0.365 1.00 0.00 C ATOM 0 H PHE B 122 -2.449 6.979 -6.095 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.743 7.777 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.621 6.117 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.627 4.946 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE B 122 0.329 3.925 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE B 122 -2.223 6.652 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE B 122 1.270 3.186 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE B 122 -1.284 5.911 0.531 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.468 4.182 0.578 1.00 0.00 H new ATOM 1953 N CYS B 123 0.652 5.475 -6.014 1.00 0.00 N ATOM 1954 CA CYS B 123 1.922 4.893 -6.415 1.00 0.00 C ATOM 1955 C CYS B 123 2.873 5.968 -6.922 1.00 0.00 C ATOM 1956 O CYS B 123 4.028 6.027 -6.505 1.00 0.00 O ATOM 1957 CB CYS B 123 1.700 3.835 -7.497 1.00 0.00 C ATOM 1958 SG CYS B 123 0.554 2.521 -7.015 1.00 0.00 S ATOM 0 H CYS B 123 -0.162 5.061 -6.469 1.00 0.00 H new ATOM 0 HA CYS B 123 2.372 4.419 -5.542 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.321 4.322 -8.395 1.00 0.00 H new ATOM 0 HB3 CYS B 123 2.660 3.389 -7.757 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.650 3.004 -6.934 1.00 0.00 H new ATOM 1964 N GLN B 124 2.364 6.845 -7.779 1.00 0.00 N ATOM 1965 CA GLN B 124 3.190 7.866 -8.413 1.00 0.00 C ATOM 1966 C GLN B 124 3.735 8.863 -7.394 1.00 0.00 C ATOM 1967 O GLN B 124 4.939 9.096 -7.344 1.00 0.00 O ATOM 1968 CB GLN B 124 2.401 8.597 -9.497 1.00 0.00 C ATOM 1969 CG GLN B 124 2.074 7.729 -10.702 1.00 0.00 C ATOM 1970 CD GLN B 124 3.312 7.165 -11.374 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.386 7.767 -11.336 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.170 6.012 -12.006 1.00 0.00 N ATOM 0 H GLN B 124 1.381 6.870 -8.051 1.00 0.00 H new ATOM 0 HA GLN B 124 4.040 7.361 -8.872 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.472 8.973 -9.068 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.973 9.464 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.430 6.907 -10.388 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.510 8.317 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.264 5.544 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.967 5.591 -12.484 1.00 0.00 H new ATOM 1981 N ILE B 125 2.847 9.438 -6.586 1.00 0.00 N ATOM 1982 CA ILE B 125 3.232 10.423 -5.573 1.00 0.00 C ATOM 1983 C ILE B 125 4.166 9.807 -4.533 1.00 0.00 C ATOM 1984 O ILE B 125 5.156 10.415 -4.123 1.00 0.00 O ATOM 1985 CB ILE B 125 1.980 10.987 -4.857 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.090 11.728 -5.856 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.371 11.908 -3.704 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.285 12.048 -5.315 1.00 0.00 C ATOM 0 H ILE B 125 1.847 9.238 -6.613 1.00 0.00 H new ATOM 0 HA ILE B 125 3.754 11.231 -6.086 1.00 0.00 H new ATOM 0 HB ILE B 125 1.421 10.149 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.581 12.656 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.986 11.123 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.471 12.288 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE B 125 2.965 11.351 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.957 12.743 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.862 12.573 -6.076 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.795 11.123 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.190 12.679 -4.431 1.00 0.00 H new ATOM 2000 N LEU B 126 3.842 8.593 -4.125 1.00 0.00 N ATOM 2001 CA LEU B 126 4.572 7.901 -3.074 1.00 0.00 C ATOM 2002 C LEU B 126 5.981 7.540 -3.528 1.00 0.00 C ATOM 2003 O LEU B 126 6.970 7.985 -2.936 1.00 0.00 O ATOM 2004 CB LEU B 126 3.788 6.649 -2.679 1.00 0.00 C ATOM 2005 CG LEU B 126 4.282 5.872 -1.464 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.141 4.702 -1.886 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.034 6.778 -0.496 1.00 0.00 C ATOM 0 H LEU B 126 3.065 8.057 -4.512 1.00 0.00 H new ATOM 0 HA LEU B 126 4.674 8.558 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU B 126 2.754 6.942 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU B 126 3.781 5.972 -3.533 1.00 0.00 H new ATOM 0 HG LEU B 126 3.409 5.481 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.482 4.163 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.558 4.032 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.004 5.066 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.373 6.194 0.360 1.00 0.00 H new ATOM 0 HD22 LEU B 126 5.895 7.215 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.372 7.573 -0.153 1.00 0.00 H new ATOM 2019 N LEU B 127 6.070 6.740 -4.582 1.00 0.00 N ATOM 2020 CA LEU B 127 7.366 6.292 -5.092 1.00 0.00 C ATOM 2021 C LEU B 127 8.220 7.494 -5.486 1.00 0.00 C ATOM 2022 O LEU B 127 9.450 7.444 -5.420 1.00 0.00 O ATOM 2023 CB LEU B 127 7.190 5.334 -6.291 1.00 0.00 C ATOM 2024 CG LEU B 127 6.937 5.984 -7.663 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.250 6.339 -8.351 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.113 5.062 -8.552 1.00 0.00 C ATOM 0 H LEU B 127 5.266 6.387 -5.101 1.00 0.00 H new ATOM 0 HA LEU B 127 7.875 5.744 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.085 4.716 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.358 4.665 -6.073 1.00 0.00 H new ATOM 0 HG LEU B 127 6.376 6.904 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.042 6.797 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.808 7.040 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.840 5.434 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.946 5.541 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.649 4.125 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.153 4.860 -8.076 1.00 0.00 H new ATOM 2038 N ASP B 128 7.547 8.567 -5.886 1.00 0.00 N ATOM 2039 CA ASP B 128 8.205 9.789 -6.334 1.00 0.00 C ATOM 2040 C ASP B 128 9.116 10.339 -5.257 1.00 0.00 C ATOM 2041 O ASP B 128 10.286 10.631 -5.502 1.00 0.00 O ATOM 2042 CB ASP B 128 7.156 10.839 -6.683 1.00 0.00 C ATOM 2043 CG ASP B 128 7.744 12.055 -7.362 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.072 11.964 -8.565 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 7.881 13.103 -6.702 1.00 0.00 O ATOM 0 H ASP B 128 6.528 8.614 -5.909 1.00 0.00 H new ATOM 0 HA ASP B 128 8.804 9.551 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.405 10.393 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.643 11.150 -5.773 1.00 0.00 H new ATOM 2050 N LYS B 129 8.573 10.460 -4.059 1.00 0.00 N ATOM 2051 CA LYS B 129 9.297 11.054 -2.953 1.00 0.00 C ATOM 2052 C LYS B 129 10.271 10.050 -2.342 1.00 0.00 C ATOM 2053 O LYS B 129 11.281 10.433 -1.750 1.00 0.00 O ATOM 2054 CB LYS B 129 8.319 11.550 -1.892 1.00 0.00 C ATOM 2055 CG LYS B 129 7.140 12.337 -2.447 1.00 0.00 C ATOM 2056 CD LYS B 129 7.578 13.573 -3.214 1.00 0.00 C ATOM 2057 CE LYS B 129 6.392 14.246 -3.890 1.00 0.00 C ATOM 2058 NZ LYS B 129 5.390 14.740 -2.906 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.628 10.153 -3.828 1.00 0.00 H new ATOM 0 HA LYS B 129 9.870 11.900 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS B 129 7.939 10.693 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS B 129 8.858 12.178 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.554 11.694 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.487 12.634 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.060 14.275 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.319 13.296 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.746 15.080 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS B 129 5.914 13.540 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 4.431 14.573 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 5.509 14.233 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 5.529 15.759 -2.751 1.00 0.00 H new ATOM 2072 N LEU B 130 9.964 8.763 -2.488 1.00 0.00 N ATOM 2073 CA LEU B 130 10.853 7.708 -2.014 1.00 0.00 C ATOM 2074 C LEU B 130 12.107 7.640 -2.874 1.00 0.00 C ATOM 2075 O LEU B 130 13.208 7.477 -2.365 1.00 0.00 O ATOM 2076 CB LEU B 130 10.140 6.356 -1.999 1.00 0.00 C ATOM 2077 CG LEU B 130 9.065 6.213 -0.919 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.306 4.917 -1.092 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.692 6.264 0.464 1.00 0.00 C ATOM 0 H LEU B 130 9.108 8.427 -2.930 1.00 0.00 H new ATOM 0 HA LEU B 130 11.146 7.947 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.681 6.192 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.883 5.570 -1.860 1.00 0.00 H new ATOM 0 HG LEU B 130 8.367 7.044 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.546 4.834 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.827 4.904 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.997 4.078 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.914 6.161 1.220 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.410 5.450 0.568 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.203 7.218 0.597 1.00 0.00 H new ATOM 2091 N ASN B 131 11.947 7.804 -4.179 1.00 0.00 N ATOM 2092 CA ASN B 131 13.095 7.816 -5.080 1.00 0.00 C ATOM 2093 C ASN B 131 13.771 9.179 -5.048 1.00 0.00 C ATOM 2094 O ASN B 131 14.795 9.395 -5.694 1.00 0.00 O ATOM 2095 CB ASN B 131 12.688 7.464 -6.516 1.00 0.00 C ATOM 2096 CG ASN B 131 12.443 5.979 -6.713 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.360 5.218 -7.026 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.202 5.554 -6.544 1.00 0.00 N ATOM 0 H ASN B 131 11.044 7.930 -4.636 1.00 0.00 H new ATOM 0 HA ASN B 131 13.797 7.056 -4.736 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.784 8.014 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.470 7.792 -7.201 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.979 4.567 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.468 6.213 -6.285 1.00 0.00 H new ATOM 2105 N ALA B 132 13.186 10.099 -4.292 1.00 0.00 N ATOM 2106 CA ALA B 132 13.744 11.434 -4.152 1.00 0.00 C ATOM 2107 C ALA B 132 14.683 11.525 -2.958 1.00 0.00 C ATOM 2108 O ALA B 132 15.362 12.531 -2.764 1.00 0.00 O ATOM 2109 CB ALA B 132 12.630 12.461 -4.040 1.00 0.00 C ATOM 0 H ALA B 132 12.325 9.943 -3.767 1.00 0.00 H new ATOM 0 HA ALA B 132 14.330 11.648 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.062 13.456 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.011 12.426 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.016 12.238 -3.167 1.00 0.00 H new