USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ -144:sc= 0.0712 (180deg=0) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0.113 USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= 0.00127 USER MOD Set 2.2: A 79 CYS SG : rot 90:sc= -0.235 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 18 THR OG1 : rot 174:sc= 0.334 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -0.636 (180deg=-1.05) USER MOD Single : A 36 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 43 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 1.02 K(o=1,f=-0.39) USER MOD Single : A 53 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.26) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 80:sc= -1.2 USER MOD Single : A 62 SER OG : rot -26:sc= 0.712 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.274! C(o=-0.27!,f=-7.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -0:sc= 0.0918 USER MOD Single : A 77 MET CE :methyl -119:sc= -0.018 (180deg=-0.326) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 98 CYS SG : rot 116:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -2.898 7.385 17.866 1.00 0.00 N ATOM 88 CA PRO A 9 -3.150 7.051 16.475 1.00 0.00 C ATOM 89 C PRO A 9 -3.335 8.315 15.632 1.00 0.00 C ATOM 90 O PRO A 9 -4.091 9.210 16.007 1.00 0.00 O ATOM 91 CB PRO A 9 -4.386 6.168 16.500 1.00 0.00 C ATOM 92 CG PRO A 9 -5.051 6.418 17.844 1.00 0.00 C ATOM 93 CD PRO A 9 -4.053 7.150 18.727 1.00 0.00 C ATOM 0 HA PRO A 9 -2.314 6.529 16.010 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.059 6.416 15.679 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.118 5.118 16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.957 7.011 17.718 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.349 5.476 18.304 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.467 8.087 19.099 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.783 6.553 19.598 1.00 0.00 H new ATOM 101 N ILE A 10 -2.630 8.348 14.510 1.00 0.00 N ATOM 102 CA ILE A 10 -2.707 9.487 13.612 1.00 0.00 C ATOM 103 C ILE A 10 -3.932 9.336 12.708 1.00 0.00 C ATOM 104 O ILE A 10 -4.658 10.301 12.473 1.00 0.00 O ATOM 105 CB ILE A 10 -1.394 9.655 12.845 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.199 9.668 13.801 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.432 10.901 11.958 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.058 9.129 13.115 1.00 0.00 C ATOM 0 H ILE A 10 -2.003 7.604 14.203 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.839 10.409 14.178 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.271 8.795 12.186 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.019 10.685 14.150 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.425 9.064 14.680 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.486 10.997 11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.247 10.812 11.240 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.590 11.784 12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.892 9.149 13.816 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.883 8.104 12.788 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.295 9.750 12.251 1.00 0.00 H new ATOM 120 N GLY A 11 -4.124 8.118 12.224 1.00 0.00 N ATOM 121 CA GLY A 11 -5.249 7.828 11.351 1.00 0.00 C ATOM 122 C GLY A 11 -5.544 6.327 11.317 1.00 0.00 C ATOM 123 O GLY A 11 -4.629 5.509 11.393 1.00 0.00 O ATOM 0 H GLY A 11 -3.519 7.320 12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.131 8.368 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.033 8.183 10.343 1.00 0.00 H new ATOM 127 N GLU A 12 -6.826 6.011 11.204 1.00 0.00 N ATOM 128 CA GLU A 12 -7.254 4.624 11.160 1.00 0.00 C ATOM 129 C GLU A 12 -7.836 4.291 9.784 1.00 0.00 C ATOM 130 O GLU A 12 -8.795 4.923 9.343 1.00 0.00 O ATOM 131 CB GLU A 12 -8.264 4.326 12.269 1.00 0.00 C ATOM 132 CG GLU A 12 -7.662 4.604 13.648 1.00 0.00 C ATOM 133 CD GLU A 12 -8.227 5.896 14.242 1.00 0.00 C ATOM 134 OE1 GLU A 12 -9.420 6.165 13.984 1.00 0.00 O ATOM 135 OE2 GLU A 12 -7.452 6.585 14.940 1.00 0.00 O ATOM 0 H GLU A 12 -7.582 6.693 11.142 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.383 3.990 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.156 4.937 12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.579 3.284 12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.874 3.769 14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.578 4.680 13.567 1.00 0.00 H new ATOM 142 N ALA A 13 -7.233 3.300 9.145 1.00 0.00 N ATOM 143 CA ALA A 13 -7.679 2.876 7.829 1.00 0.00 C ATOM 144 C ALA A 13 -8.172 1.430 7.904 1.00 0.00 C ATOM 145 O ALA A 13 -7.487 0.564 8.447 1.00 0.00 O ATOM 146 CB ALA A 13 -6.541 3.053 6.822 1.00 0.00 C ATOM 0 H ALA A 13 -6.438 2.778 9.514 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.512 3.491 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.876 2.735 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.248 4.102 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.687 2.448 7.128 1.00 0.00 H new ATOM 152 N SER A 14 -9.356 1.212 7.350 1.00 0.00 N ATOM 153 CA SER A 14 -9.948 -0.115 7.347 1.00 0.00 C ATOM 154 C SER A 14 -9.746 -0.775 5.982 1.00 0.00 C ATOM 155 O SER A 14 -9.845 -0.116 4.948 1.00 0.00 O ATOM 156 CB SER A 14 -11.437 -0.054 7.692 1.00 0.00 C ATOM 157 OG SER A 14 -11.728 0.986 8.621 1.00 0.00 O ATOM 0 H SER A 14 -9.921 1.932 6.900 1.00 0.00 H new ATOM 0 HA SER A 14 -9.450 -0.714 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.014 0.102 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.752 -1.011 8.109 1.00 0.00 H new ATOM 0 HG SER A 14 -12.689 0.993 8.814 1.00 0.00 H new ATOM 163 N ILE A 15 -9.466 -2.070 6.022 1.00 0.00 N ATOM 164 CA ILE A 15 -9.248 -2.826 4.801 1.00 0.00 C ATOM 165 C ILE A 15 -10.596 -3.297 4.251 1.00 0.00 C ATOM 166 O ILE A 15 -11.302 -4.067 4.901 1.00 0.00 O ATOM 167 CB ILE A 15 -8.253 -3.963 5.045 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.829 -3.423 5.192 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.353 -5.024 3.947 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.869 -4.524 5.646 1.00 0.00 C ATOM 0 H ILE A 15 -9.385 -2.614 6.881 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.794 -2.194 4.038 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.512 -4.448 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.492 -3.012 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.819 -2.606 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.636 -5.820 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.361 -5.439 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.134 -4.569 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.864 -4.113 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.195 -4.916 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.863 -5.328 4.910 1.00 0.00 H new ATOM 182 N LEU A 16 -10.914 -2.814 3.059 1.00 0.00 N ATOM 183 CA LEU A 16 -12.165 -3.175 2.414 1.00 0.00 C ATOM 184 C LEU A 16 -11.948 -4.419 1.550 1.00 0.00 C ATOM 185 O LEU A 16 -12.809 -5.296 1.492 1.00 0.00 O ATOM 186 CB LEU A 16 -12.734 -1.983 1.642 1.00 0.00 C ATOM 187 CG LEU A 16 -12.653 -0.627 2.347 1.00 0.00 C ATOM 188 CD1 LEU A 16 -13.061 0.506 1.404 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.480 -0.628 3.634 1.00 0.00 C ATOM 0 H LEU A 16 -10.327 -2.175 2.523 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.917 -3.431 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.208 -1.907 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.780 -2.189 1.413 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.616 -0.451 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.995 1.459 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.394 0.520 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.086 0.348 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.405 0.347 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.523 -0.836 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.102 -1.396 4.309 1.00 0.00 H new ATOM 201 N ALA A 17 -10.793 -4.456 0.902 1.00 0.00 N ATOM 202 CA ALA A 17 -10.452 -5.579 0.044 1.00 0.00 C ATOM 203 C ALA A 17 -8.943 -5.824 0.109 1.00 0.00 C ATOM 204 O ALA A 17 -8.183 -4.940 0.499 1.00 0.00 O ATOM 205 CB ALA A 17 -10.937 -5.299 -1.380 1.00 0.00 C ATOM 0 H ALA A 17 -10.081 -3.727 0.954 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.949 -6.488 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.681 -6.141 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.018 -5.161 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.457 -4.396 -1.757 1.00 0.00 H new ATOM 211 N THR A 18 -8.555 -7.030 -0.279 1.00 0.00 N ATOM 212 CA THR A 18 -7.151 -7.403 -0.270 1.00 0.00 C ATOM 213 C THR A 18 -6.819 -8.259 -1.494 1.00 0.00 C ATOM 214 O THR A 18 -7.596 -9.133 -1.874 1.00 0.00 O ATOM 215 CB THR A 18 -6.856 -8.103 1.058 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.417 -9.403 0.898 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.642 -7.500 2.225 1.00 0.00 C ATOM 0 H THR A 18 -9.189 -7.761 -0.602 1.00 0.00 H new ATOM 0 HA THR A 18 -6.508 -6.525 -0.341 1.00 0.00 H new ATOM 0 HB THR A 18 -5.788 -8.044 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.192 -9.955 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.396 -8.033 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.380 -6.448 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.710 -7.589 2.029 1.00 0.00 H new ATOM 225 N PHE A 19 -5.663 -7.976 -2.078 1.00 0.00 N ATOM 226 CA PHE A 19 -5.218 -8.709 -3.251 1.00 0.00 C ATOM 227 C PHE A 19 -3.692 -8.697 -3.359 1.00 0.00 C ATOM 228 O PHE A 19 -3.009 -8.159 -2.489 1.00 0.00 O ATOM 229 CB PHE A 19 -5.810 -8.001 -4.471 1.00 0.00 C ATOM 230 CG PHE A 19 -5.430 -6.522 -4.578 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.147 -6.169 -4.860 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.374 -5.562 -4.390 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.794 -4.797 -4.958 1.00 0.00 C ATOM 234 CE2 PHE A 19 -6.022 -4.190 -4.489 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.739 -3.836 -4.771 1.00 0.00 C ATOM 0 H PHE A 19 -5.022 -7.249 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.542 -9.748 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.480 -8.516 -5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.896 -8.085 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.397 -6.932 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.392 -5.843 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.775 -4.516 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.772 -3.428 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.471 -2.793 -4.846 1.00 0.00 H new ATOM 245 N THR A 20 -3.202 -9.296 -4.434 1.00 0.00 N ATOM 246 CA THR A 20 -1.769 -9.361 -4.667 1.00 0.00 C ATOM 247 C THR A 20 -1.407 -8.636 -5.965 1.00 0.00 C ATOM 248 O THR A 20 -2.275 -8.370 -6.794 1.00 0.00 O ATOM 249 CB THR A 20 -1.355 -10.834 -4.658 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.172 -11.418 -3.647 1.00 0.00 O ATOM 251 CG2 THR A 20 0.073 -11.038 -4.147 1.00 0.00 C ATOM 0 H THR A 20 -3.772 -9.741 -5.154 1.00 0.00 H new ATOM 0 HA THR A 20 -1.216 -8.848 -3.880 1.00 0.00 H new ATOM 0 HB THR A 20 -1.442 -11.241 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.970 -12.374 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.316 -12.100 -4.161 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.770 -10.498 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.152 -10.661 -3.127 1.00 0.00 H new ATOM 259 N VAL A 21 -0.123 -8.337 -6.099 1.00 0.00 N ATOM 260 CA VAL A 21 0.365 -7.648 -7.281 1.00 0.00 C ATOM 261 C VAL A 21 1.654 -8.318 -7.761 1.00 0.00 C ATOM 262 O VAL A 21 2.328 -9.000 -6.990 1.00 0.00 O ATOM 263 CB VAL A 21 0.541 -6.158 -6.983 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.813 -5.452 -6.900 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.350 -5.947 -5.701 1.00 0.00 C ATOM 0 H VAL A 21 0.594 -8.559 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.360 -7.720 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 21 1.099 -5.715 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.659 -4.394 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.338 -5.559 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.408 -5.899 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.461 -4.879 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.831 -6.412 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.335 -6.399 -5.814 1.00 0.00 H new ATOM 275 N THR A 22 1.959 -8.101 -9.032 1.00 0.00 N ATOM 276 CA THR A 22 3.155 -8.675 -9.624 1.00 0.00 C ATOM 277 C THR A 22 4.122 -7.569 -10.052 1.00 0.00 C ATOM 278 O THR A 22 3.697 -6.514 -10.519 1.00 0.00 O ATOM 279 CB THR A 22 2.723 -9.584 -10.776 1.00 0.00 C ATOM 280 OG1 THR A 22 1.868 -10.543 -10.160 1.00 0.00 O ATOM 281 CG2 THR A 22 3.880 -10.417 -11.331 1.00 0.00 C ATOM 0 H THR A 22 1.398 -7.535 -9.669 1.00 0.00 H new ATOM 0 HA THR A 22 3.702 -9.280 -8.901 1.00 0.00 H new ATOM 0 HB THR A 22 2.297 -8.978 -11.576 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.541 -11.172 -10.837 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.519 -11.044 -12.146 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.661 -9.753 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.286 -11.048 -10.540 1.00 0.00 H new ATOM 289 N GLU A 23 5.405 -7.849 -9.877 1.00 0.00 N ATOM 290 CA GLU A 23 6.436 -6.891 -10.239 1.00 0.00 C ATOM 291 C GLU A 23 7.714 -7.620 -10.658 1.00 0.00 C ATOM 292 O GLU A 23 8.492 -8.055 -9.810 1.00 0.00 O ATOM 293 CB GLU A 23 6.711 -5.921 -9.089 1.00 0.00 C ATOM 294 CG GLU A 23 5.504 -5.017 -8.834 1.00 0.00 C ATOM 295 CD GLU A 23 5.942 -3.659 -8.280 1.00 0.00 C ATOM 296 OE1 GLU A 23 6.969 -3.642 -7.568 1.00 0.00 O ATOM 297 OE2 GLU A 23 5.240 -2.670 -8.582 1.00 0.00 O ATOM 0 H GLU A 23 5.754 -8.725 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 23 6.079 -6.306 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.948 -6.481 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.583 -5.311 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.950 -4.874 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.826 -5.499 -8.130 1.00 0.00 H new ATOM 304 N GLY A 24 7.892 -7.731 -11.967 1.00 0.00 N ATOM 305 CA GLY A 24 9.062 -8.400 -12.509 1.00 0.00 C ATOM 306 C GLY A 24 8.833 -9.910 -12.610 1.00 0.00 C ATOM 307 O GLY A 24 9.172 -10.526 -13.620 1.00 0.00 O ATOM 0 H GLY A 24 7.245 -7.369 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.292 -7.997 -13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.926 -8.201 -11.874 1.00 0.00 H new ATOM 311 N LYS A 25 8.260 -10.462 -11.551 1.00 0.00 N ATOM 312 CA LYS A 25 7.982 -11.887 -11.508 1.00 0.00 C ATOM 313 C LYS A 25 7.431 -12.253 -10.129 1.00 0.00 C ATOM 314 O LYS A 25 6.470 -13.013 -10.022 1.00 0.00 O ATOM 315 CB LYS A 25 9.223 -12.687 -11.907 1.00 0.00 C ATOM 316 CG LYS A 25 8.969 -13.494 -13.182 1.00 0.00 C ATOM 317 CD LYS A 25 10.191 -14.338 -13.551 1.00 0.00 C ATOM 318 CE LYS A 25 9.919 -15.182 -14.797 1.00 0.00 C ATOM 319 NZ LYS A 25 11.111 -15.208 -15.675 1.00 0.00 N ATOM 0 H LYS A 25 7.981 -9.948 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 25 7.215 -12.148 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.062 -12.009 -12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.503 -13.360 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.105 -14.143 -13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.729 -12.818 -14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.047 -13.687 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.453 -14.989 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.653 -16.198 -14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.068 -14.774 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.910 -15.785 -16.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.347 -14.239 -15.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.914 -15.619 -15.158 1.00 0.00 H new ATOM 333 N LYS A 26 8.065 -11.697 -9.107 1.00 0.00 N ATOM 334 CA LYS A 26 7.651 -11.955 -7.738 1.00 0.00 C ATOM 335 C LYS A 26 6.174 -11.590 -7.579 1.00 0.00 C ATOM 336 O LYS A 26 5.556 -11.071 -8.508 1.00 0.00 O ATOM 337 CB LYS A 26 8.572 -11.233 -6.754 1.00 0.00 C ATOM 338 CG LYS A 26 8.911 -12.129 -5.561 1.00 0.00 C ATOM 339 CD LYS A 26 8.589 -11.428 -4.239 1.00 0.00 C ATOM 340 CE LYS A 26 9.643 -10.370 -3.910 1.00 0.00 C ATOM 341 NZ LYS A 26 10.339 -10.707 -2.647 1.00 0.00 N ATOM 0 H LYS A 26 8.863 -11.068 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 26 7.745 -13.016 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.489 -10.934 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.091 -10.320 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.348 -13.060 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.968 -12.393 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.606 -10.961 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.543 -12.163 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.365 -10.302 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.170 -9.392 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.051 -9.979 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.648 -10.749 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.807 -11.631 -2.744 1.00 0.00 H new ATOM 355 N LYS A 27 5.650 -11.875 -6.396 1.00 0.00 N ATOM 356 CA LYS A 27 4.257 -11.582 -6.104 1.00 0.00 C ATOM 357 C LYS A 27 4.167 -10.826 -4.777 1.00 0.00 C ATOM 358 O LYS A 27 4.187 -11.435 -3.708 1.00 0.00 O ATOM 359 CB LYS A 27 3.422 -12.864 -6.139 1.00 0.00 C ATOM 360 CG LYS A 27 4.000 -13.922 -5.197 1.00 0.00 C ATOM 361 CD LYS A 27 3.040 -14.210 -4.041 1.00 0.00 C ATOM 362 CE LYS A 27 2.050 -15.315 -4.413 1.00 0.00 C ATOM 363 NZ LYS A 27 1.280 -14.936 -5.619 1.00 0.00 N ATOM 0 H LYS A 27 6.165 -12.306 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 27 3.835 -10.932 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.394 -12.640 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.392 -13.255 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.194 -14.841 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.957 -13.580 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.607 -14.507 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.496 -13.302 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.587 -16.246 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.369 -15.496 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.512 -15.621 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.877 -13.986 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.910 -14.934 -6.447 1.00 0.00 H new ATOM 377 N ILE A 28 4.069 -9.510 -4.888 1.00 0.00 N ATOM 378 CA ILE A 28 3.976 -8.664 -3.711 1.00 0.00 C ATOM 379 C ILE A 28 2.504 -8.485 -3.332 1.00 0.00 C ATOM 380 O ILE A 28 1.699 -8.043 -4.149 1.00 0.00 O ATOM 381 CB ILE A 28 4.717 -7.345 -3.938 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.144 -7.595 -4.430 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.689 -6.476 -2.679 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.182 -7.738 -5.953 1.00 0.00 C ATOM 0 H ILE A 28 4.052 -9.008 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 28 4.469 -9.138 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 28 4.198 -6.793 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.788 -6.771 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.539 -8.499 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.223 -5.545 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.656 -6.254 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.169 -7.009 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.208 -7.915 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.556 -8.578 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.809 -6.823 -6.414 1.00 0.00 H new ATOM 396 N PRO A 29 2.190 -8.847 -2.059 1.00 0.00 N ATOM 397 CA PRO A 29 0.830 -8.730 -1.562 1.00 0.00 C ATOM 398 C PRO A 29 0.475 -7.271 -1.272 1.00 0.00 C ATOM 399 O PRO A 29 1.335 -6.487 -0.872 1.00 0.00 O ATOM 400 CB PRO A 29 0.787 -9.610 -0.323 1.00 0.00 C ATOM 401 CG PRO A 29 2.235 -9.815 0.092 1.00 0.00 C ATOM 402 CD PRO A 29 3.119 -9.374 -1.063 1.00 0.00 C ATOM 0 HA PRO A 29 0.087 -9.054 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.216 -9.135 0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.303 -10.563 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.461 -9.236 0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.418 -10.862 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.834 -8.614 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.696 -10.209 -1.462 1.00 0.00 H new ATOM 410 N VAL A 30 -0.793 -6.950 -1.484 1.00 0.00 N ATOM 411 CA VAL A 30 -1.272 -5.598 -1.249 1.00 0.00 C ATOM 412 C VAL A 30 -2.629 -5.658 -0.546 1.00 0.00 C ATOM 413 O VAL A 30 -3.355 -6.644 -0.671 1.00 0.00 O ATOM 414 CB VAL A 30 -1.315 -4.823 -2.568 1.00 0.00 C ATOM 415 CG1 VAL A 30 -2.038 -3.486 -2.394 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.093 -4.616 -3.128 1.00 0.00 C ATOM 0 H VAL A 30 -1.503 -7.603 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.590 -5.059 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.878 -5.417 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.055 -2.955 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.060 -3.666 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.515 -2.883 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.034 -4.063 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.690 -4.053 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.559 -5.585 -3.307 1.00 0.00 H new ATOM 426 N ALA A 31 -2.932 -4.590 0.178 1.00 0.00 N ATOM 427 CA ALA A 31 -4.190 -4.508 0.901 1.00 0.00 C ATOM 428 C ALA A 31 -4.820 -3.134 0.667 1.00 0.00 C ATOM 429 O ALA A 31 -4.222 -2.110 0.992 1.00 0.00 O ATOM 430 CB ALA A 31 -3.945 -4.792 2.384 1.00 0.00 C ATOM 0 H ALA A 31 -2.328 -3.774 0.279 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.892 -5.258 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.888 -4.731 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.525 -5.791 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.247 -4.057 2.785 1.00 0.00 H new ATOM 436 N ASP A 32 -6.019 -3.156 0.104 1.00 0.00 N ATOM 437 CA ASP A 32 -6.736 -1.924 -0.178 1.00 0.00 C ATOM 438 C ASP A 32 -7.528 -1.505 1.062 1.00 0.00 C ATOM 439 O ASP A 32 -8.430 -2.220 1.498 1.00 0.00 O ATOM 440 CB ASP A 32 -7.726 -2.115 -1.329 1.00 0.00 C ATOM 441 CG ASP A 32 -7.465 -1.240 -2.557 1.00 0.00 C ATOM 442 OD1 ASP A 32 -6.281 -0.906 -2.774 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.457 -0.927 -3.252 1.00 0.00 O ATOM 0 H ASP A 32 -6.512 -4.008 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.005 -1.163 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.706 -3.161 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.731 -1.909 -0.962 1.00 0.00 H new ATOM 448 N CYS A 33 -7.163 -0.349 1.596 1.00 0.00 N ATOM 449 CA CYS A 33 -7.828 0.174 2.777 1.00 0.00 C ATOM 450 C CYS A 33 -8.275 1.607 2.482 1.00 0.00 C ATOM 451 O CYS A 33 -7.594 2.338 1.765 1.00 0.00 O ATOM 452 CB CYS A 33 -6.928 0.100 4.012 1.00 0.00 C ATOM 453 SG CYS A 33 -5.246 0.690 3.597 1.00 0.00 S ATOM 0 H CYS A 33 -6.415 0.241 1.232 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.701 -0.438 3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.347 0.707 4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.883 -0.926 4.378 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.491 0.625 4.653 1.00 0.00 H new ATOM 459 N ARG A 34 -9.418 1.964 3.049 1.00 0.00 N ATOM 460 CA ARG A 34 -9.965 3.297 2.856 1.00 0.00 C ATOM 461 C ARG A 34 -9.844 4.112 4.145 1.00 0.00 C ATOM 462 O ARG A 34 -10.351 3.706 5.190 1.00 0.00 O ATOM 463 CB ARG A 34 -11.435 3.233 2.436 1.00 0.00 C ATOM 464 CG ARG A 34 -11.831 4.477 1.638 1.00 0.00 C ATOM 465 CD ARG A 34 -13.059 5.153 2.250 1.00 0.00 C ATOM 466 NE ARG A 34 -13.921 5.701 1.179 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.789 4.970 0.466 1.00 0.00 C ATOM 468 NH1 ARG A 34 -14.914 3.657 0.704 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.531 5.552 -0.487 1.00 0.00 N ATOM 0 H ARG A 34 -9.980 1.354 3.642 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.393 3.779 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.607 2.341 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.066 3.147 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.998 5.180 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.041 4.199 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.620 4.435 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.747 5.952 2.922 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.850 6.697 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.348 3.214 1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.575 3.101 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.435 6.551 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.192 4.996 -1.030 1.00 0.00 H new ATOM 483 N VAL A 35 -9.170 5.247 4.029 1.00 0.00 N ATOM 484 CA VAL A 35 -8.977 6.123 5.172 1.00 0.00 C ATOM 485 C VAL A 35 -10.338 6.611 5.671 1.00 0.00 C ATOM 486 O VAL A 35 -11.017 7.374 4.985 1.00 0.00 O ATOM 487 CB VAL A 35 -8.030 7.266 4.801 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.861 8.239 5.970 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.676 6.728 4.335 1.00 0.00 C ATOM 0 H VAL A 35 -8.751 5.580 3.161 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.506 5.582 5.993 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.476 7.814 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.183 9.042 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.830 8.661 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.449 7.708 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.022 7.561 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.221 6.144 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.818 6.094 3.459 1.00 0.00 H new ATOM 499 N GLN A 36 -10.696 6.152 6.861 1.00 0.00 N ATOM 500 CA GLN A 36 -11.964 6.533 7.460 1.00 0.00 C ATOM 501 C GLN A 36 -11.800 7.814 8.279 1.00 0.00 C ATOM 502 O GLN A 36 -12.623 8.724 8.187 1.00 0.00 O ATOM 503 CB GLN A 36 -12.526 5.400 8.320 1.00 0.00 C ATOM 504 CG GLN A 36 -12.856 4.174 7.466 1.00 0.00 C ATOM 505 CD GLN A 36 -14.365 4.052 7.241 1.00 0.00 C ATOM 506 OE1 GLN A 36 -15.174 4.401 8.085 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.696 3.538 6.060 1.00 0.00 N ATOM 0 H GLN A 36 -10.130 5.520 7.427 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.679 6.726 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.802 5.128 9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.424 5.741 8.835 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.346 4.248 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.484 3.274 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.968 3.267 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.678 3.415 5.815 1.00 0.00 H new ATOM 516 N LYS A 37 -10.733 7.845 9.064 1.00 0.00 N ATOM 517 CA LYS A 37 -10.451 9.000 9.899 1.00 0.00 C ATOM 518 C LYS A 37 -8.949 9.288 9.873 1.00 0.00 C ATOM 519 O LYS A 37 -8.135 8.371 9.967 1.00 0.00 O ATOM 520 CB LYS A 37 -11.013 8.793 11.307 1.00 0.00 C ATOM 521 CG LYS A 37 -12.543 8.792 11.291 1.00 0.00 C ATOM 522 CD LYS A 37 -13.102 7.962 12.449 1.00 0.00 C ATOM 523 CE LYS A 37 -14.374 7.222 12.028 1.00 0.00 C ATOM 524 NZ LYS A 37 -15.543 8.128 12.084 1.00 0.00 N ATOM 0 H LYS A 37 -10.053 7.088 9.139 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.953 9.885 9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.649 7.849 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.653 9.583 11.966 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.912 9.815 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.900 8.388 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.352 7.244 12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.319 8.613 13.296 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.257 6.832 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.538 6.366 12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.398 7.610 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.663 8.480 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.391 8.931 11.441 1.00 0.00 H new ATOM 538 N GLY A 38 -8.626 10.567 9.745 1.00 0.00 N ATOM 539 CA GLY A 38 -7.236 10.988 9.705 1.00 0.00 C ATOM 540 C GLY A 38 -6.611 10.690 8.340 1.00 0.00 C ATOM 541 O GLY A 38 -7.324 10.440 7.369 1.00 0.00 O ATOM 0 H GLY A 38 -9.304 11.326 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.170 12.056 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.674 10.475 10.486 1.00 0.00 H new ATOM 545 N GLN A 39 -5.287 10.728 8.310 1.00 0.00 N ATOM 546 CA GLN A 39 -4.559 10.466 7.080 1.00 0.00 C ATOM 547 C GLN A 39 -3.416 9.483 7.340 1.00 0.00 C ATOM 548 O GLN A 39 -3.133 9.143 8.488 1.00 0.00 O ATOM 549 CB GLN A 39 -4.036 11.765 6.465 1.00 0.00 C ATOM 550 CG GLN A 39 -3.303 12.610 7.509 1.00 0.00 C ATOM 551 CD GLN A 39 -2.876 13.957 6.922 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.555 14.548 6.099 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.716 14.408 7.391 1.00 0.00 N ATOM 0 H GLN A 39 -4.700 10.936 9.117 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.245 10.014 6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.362 11.535 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.867 12.335 6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.951 12.773 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.426 12.071 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.198 13.863 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.345 15.299 7.062 1.00 0.00 H new ATOM 562 N LEU A 40 -2.789 9.053 6.254 1.00 0.00 N ATOM 563 CA LEU A 40 -1.683 8.116 6.350 1.00 0.00 C ATOM 564 C LEU A 40 -0.411 8.778 5.817 1.00 0.00 C ATOM 565 O LEU A 40 -0.383 9.254 4.683 1.00 0.00 O ATOM 566 CB LEU A 40 -2.032 6.802 5.648 1.00 0.00 C ATOM 567 CG LEU A 40 -3.295 6.092 6.142 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.531 4.792 5.371 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.238 5.860 7.653 1.00 0.00 C ATOM 0 H LEU A 40 -3.026 9.337 5.303 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.495 7.855 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.144 7.001 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.189 6.120 5.758 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.149 6.741 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.434 4.308 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.648 5.014 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.679 4.126 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.147 5.354 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.373 5.242 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.153 6.818 8.165 1.00 0.00 H new ATOM 581 N GLU A 41 0.610 8.788 6.660 1.00 0.00 N ATOM 582 CA GLU A 41 1.882 9.385 6.288 1.00 0.00 C ATOM 583 C GLU A 41 2.917 8.294 6.004 1.00 0.00 C ATOM 584 O GLU A 41 3.191 7.456 6.861 1.00 0.00 O ATOM 585 CB GLU A 41 2.378 10.342 7.375 1.00 0.00 C ATOM 586 CG GLU A 41 1.294 11.355 7.748 1.00 0.00 C ATOM 587 CD GLU A 41 1.907 12.599 8.396 1.00 0.00 C ATOM 588 OE1 GLU A 41 2.123 12.550 9.626 1.00 0.00 O ATOM 589 OE2 GLU A 41 2.145 13.570 7.646 1.00 0.00 O ATOM 0 H GLU A 41 0.583 8.392 7.600 1.00 0.00 H new ATOM 0 HA GLU A 41 1.736 9.966 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.670 9.775 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.267 10.867 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.737 11.642 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.583 10.896 8.434 1.00 0.00 H new ATOM 596 N ARG A 42 3.464 8.342 4.798 1.00 0.00 N ATOM 597 CA ARG A 42 4.463 7.368 4.391 1.00 0.00 C ATOM 598 C ARG A 42 5.780 7.620 5.126 1.00 0.00 C ATOM 599 O ARG A 42 6.680 8.267 4.592 1.00 0.00 O ATOM 600 CB ARG A 42 4.709 7.431 2.882 1.00 0.00 C ATOM 601 CG ARG A 42 4.678 6.031 2.264 1.00 0.00 C ATOM 602 CD ARG A 42 5.906 5.220 2.681 1.00 0.00 C ATOM 603 NE ARG A 42 7.140 5.978 2.376 1.00 0.00 N ATOM 604 CZ ARG A 42 7.698 6.048 1.160 1.00 0.00 C ATOM 605 NH1 ARG A 42 7.134 5.407 0.127 1.00 0.00 N ATOM 606 NH2 ARG A 42 8.818 6.759 0.977 1.00 0.00 N ATOM 0 H ARG A 42 3.235 9.040 4.090 1.00 0.00 H new ATOM 0 HA ARG A 42 4.085 6.378 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.951 8.057 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.674 7.898 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.772 5.512 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.642 6.110 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.860 4.997 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.917 4.265 2.156 1.00 0.00 H new ATOM 0 HE ARG A 42 7.594 6.479 3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.280 4.866 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.558 5.460 -0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.246 7.247 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.243 6.812 0.051 1.00 0.00 H new ATOM 620 N HIS A 43 5.853 7.096 6.341 1.00 0.00 N ATOM 621 CA HIS A 43 7.046 7.256 7.155 1.00 0.00 C ATOM 622 C HIS A 43 6.780 6.724 8.565 1.00 0.00 C ATOM 623 O HIS A 43 7.582 5.966 9.108 1.00 0.00 O ATOM 624 CB HIS A 43 7.516 8.712 7.149 1.00 0.00 C ATOM 625 CG HIS A 43 8.739 8.958 6.299 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.118 10.222 5.879 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.664 8.092 5.795 1.00 0.00 C ATOM 628 CE1 HIS A 43 10.222 10.108 5.155 1.00 0.00 C ATOM 629 NE2 HIS A 43 10.559 8.787 5.104 1.00 0.00 N ATOM 0 H HIS A 43 5.105 6.560 6.781 1.00 0.00 H new ATOM 0 HA HIS A 43 7.862 6.670 6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.704 9.344 6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.730 9.018 8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.668 7.021 5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.761 10.919 4.687 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.365 8.398 4.616 1.00 0.00 H new ATOM 637 N LYS A 44 5.650 7.142 9.117 1.00 0.00 N ATOM 638 CA LYS A 44 5.269 6.718 10.453 1.00 0.00 C ATOM 639 C LYS A 44 5.226 5.189 10.505 1.00 0.00 C ATOM 640 O LYS A 44 5.603 4.521 9.544 1.00 0.00 O ATOM 641 CB LYS A 44 3.957 7.384 10.873 1.00 0.00 C ATOM 642 CG LYS A 44 4.096 8.908 10.887 1.00 0.00 C ATOM 643 CD LYS A 44 4.916 9.372 12.093 1.00 0.00 C ATOM 644 CE LYS A 44 5.077 10.894 12.093 1.00 0.00 C ATOM 645 NZ LYS A 44 6.510 11.263 12.061 1.00 0.00 N ATOM 0 H LYS A 44 4.986 7.770 8.663 1.00 0.00 H new ATOM 0 HA LYS A 44 6.012 7.042 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.162 7.094 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.667 7.032 11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.575 9.242 9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.108 9.367 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.427 9.054 13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.898 8.899 12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.566 11.320 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.606 11.316 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.602 12.299 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.988 10.873 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.949 10.877 11.201 1.00 0.00 H new ATOM 659 N LYS A 45 4.763 4.680 11.638 1.00 0.00 N ATOM 660 CA LYS A 45 4.666 3.243 11.828 1.00 0.00 C ATOM 661 C LYS A 45 3.225 2.796 11.575 1.00 0.00 C ATOM 662 O LYS A 45 2.306 3.614 11.585 1.00 0.00 O ATOM 663 CB LYS A 45 5.200 2.848 13.206 1.00 0.00 C ATOM 664 CG LYS A 45 6.726 2.736 13.191 1.00 0.00 C ATOM 665 CD LYS A 45 7.170 1.277 13.321 1.00 0.00 C ATOM 666 CE LYS A 45 8.325 1.143 14.316 1.00 0.00 C ATOM 667 NZ LYS A 45 7.826 1.247 15.706 1.00 0.00 N ATOM 0 H LYS A 45 4.451 5.237 12.433 1.00 0.00 H new ATOM 0 HA LYS A 45 5.294 2.720 11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.893 3.588 13.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.765 1.896 13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.116 3.157 12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.145 3.322 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.330 0.665 13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.479 0.899 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.826 0.186 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.065 1.921 14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.622 1.154 16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.368 2.171 15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.137 0.489 15.885 1.00 0.00 H new ATOM 681 N PHE A 46 3.072 1.498 11.354 1.00 0.00 N ATOM 682 CA PHE A 46 1.758 0.932 11.099 1.00 0.00 C ATOM 683 C PHE A 46 1.653 -0.486 11.663 1.00 0.00 C ATOM 684 O PHE A 46 2.657 -1.076 12.060 1.00 0.00 O ATOM 685 CB PHE A 46 1.581 0.879 9.581 1.00 0.00 C ATOM 686 CG PHE A 46 1.680 2.243 8.894 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.876 2.886 8.828 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.571 2.812 8.350 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.967 4.152 8.192 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.662 4.077 7.713 1.00 0.00 C ATOM 691 CZ PHE A 46 1.858 4.721 7.647 1.00 0.00 C ATOM 0 H PHE A 46 3.836 0.822 11.346 1.00 0.00 H new ATOM 0 HA PHE A 46 0.991 1.542 11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.337 0.216 9.160 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.610 0.439 9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.757 2.434 9.259 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.379 2.301 8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.917 4.663 8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.219 4.528 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.927 5.684 7.162 1.00 0.00 H new ATOM 701 N LYS A 47 0.429 -0.993 11.680 1.00 0.00 N ATOM 702 CA LYS A 47 0.180 -2.331 12.189 1.00 0.00 C ATOM 703 C LYS A 47 -1.122 -2.865 11.590 1.00 0.00 C ATOM 704 O LYS A 47 -2.061 -2.105 11.359 1.00 0.00 O ATOM 705 CB LYS A 47 0.201 -2.335 13.719 1.00 0.00 C ATOM 706 CG LYS A 47 -0.453 -1.071 14.280 1.00 0.00 C ATOM 707 CD LYS A 47 -0.540 -1.129 15.806 1.00 0.00 C ATOM 708 CE LYS A 47 -1.011 0.209 16.380 1.00 0.00 C ATOM 709 NZ LYS A 47 -2.176 0.010 17.270 1.00 0.00 N ATOM 0 H LYS A 47 -0.401 -0.501 11.349 1.00 0.00 H new ATOM 0 HA LYS A 47 0.975 -3.010 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.323 -3.215 14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.230 -2.404 14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.122 -0.195 13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.452 -0.957 13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.229 -1.919 16.105 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.436 -1.383 16.220 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.199 0.680 16.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.277 0.886 15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.483 0.928 17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.955 -0.419 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.910 -0.619 18.055 1.00 0.00 H new ATOM 723 N LEU A 48 -1.138 -4.169 11.356 1.00 0.00 N ATOM 724 CA LEU A 48 -2.309 -4.814 10.789 1.00 0.00 C ATOM 725 C LEU A 48 -3.050 -5.577 11.890 1.00 0.00 C ATOM 726 O LEU A 48 -2.541 -6.566 12.414 1.00 0.00 O ATOM 727 CB LEU A 48 -1.916 -5.686 9.595 1.00 0.00 C ATOM 728 CG LEU A 48 -3.068 -6.365 8.851 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.925 -5.336 8.112 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.548 -7.457 7.915 1.00 0.00 C ATOM 0 H LEU A 48 -0.357 -4.797 11.549 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.001 -4.069 10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.365 -5.068 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.231 -6.458 9.944 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.710 -6.851 9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.736 -5.845 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.341 -4.627 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.309 -4.801 7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.387 -7.924 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.871 -7.017 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.015 -8.210 8.495 1.00 0.00 H new ATOM 742 N ILE A 49 -4.240 -5.087 12.207 1.00 0.00 N ATOM 743 CA ILE A 49 -5.055 -5.710 13.235 1.00 0.00 C ATOM 744 C ILE A 49 -6.145 -6.556 12.574 1.00 0.00 C ATOM 745 O ILE A 49 -6.974 -6.034 11.830 1.00 0.00 O ATOM 746 CB ILE A 49 -5.597 -4.655 14.202 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.461 -4.000 14.991 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.665 -5.251 15.121 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.618 -3.095 14.090 1.00 0.00 C ATOM 0 H ILE A 49 -4.659 -4.266 11.770 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.451 -6.385 13.842 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.077 -3.870 13.618 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.874 -3.417 15.814 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.829 -4.770 15.432 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.034 -4.480 15.798 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.491 -5.631 14.520 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.232 -6.067 15.700 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.818 -2.642 14.676 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.187 -3.686 13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.248 -2.311 13.670 1.00 0.00 H new ATOM 761 N ARG A 50 -6.109 -7.847 12.868 1.00 0.00 N ATOM 762 CA ARG A 50 -7.083 -8.769 12.311 1.00 0.00 C ATOM 763 C ARG A 50 -7.768 -9.558 13.429 1.00 0.00 C ATOM 764 O ARG A 50 -7.132 -10.370 14.100 1.00 0.00 O ATOM 765 CB ARG A 50 -6.423 -9.747 11.338 1.00 0.00 C ATOM 766 CG ARG A 50 -7.472 -10.586 10.606 1.00 0.00 C ATOM 767 CD ARG A 50 -6.977 -12.018 10.391 1.00 0.00 C ATOM 768 NE ARG A 50 -6.507 -12.187 8.998 1.00 0.00 N ATOM 769 CZ ARG A 50 -6.242 -13.373 8.433 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.401 -14.501 9.138 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.819 -13.430 7.162 1.00 0.00 N ATOM 0 H ARG A 50 -5.420 -8.276 13.485 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.824 -8.180 11.770 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.823 -9.196 10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.743 -10.403 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.398 -10.600 11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.702 -10.129 9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.167 -12.240 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.780 -12.725 10.601 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.377 -11.348 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.724 -14.457 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.199 -15.404 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.699 -12.571 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.617 -14.332 6.732 1.00 0.00 H new ATOM 785 N ASN A 51 -9.055 -9.291 13.596 1.00 0.00 N ATOM 786 CA ASN A 51 -9.832 -9.965 14.622 1.00 0.00 C ATOM 787 C ASN A 51 -9.577 -9.294 15.973 1.00 0.00 C ATOM 788 O ASN A 51 -10.161 -9.683 16.983 1.00 0.00 O ATOM 789 CB ASN A 51 -9.429 -11.436 14.741 1.00 0.00 C ATOM 790 CG ASN A 51 -10.628 -12.304 15.128 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.025 -13.212 14.416 1.00 0.00 O ATOM 792 ND2 ASN A 51 -11.180 -11.975 16.292 1.00 0.00 N ATOM 0 H ASN A 51 -9.579 -8.617 13.038 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.884 -9.901 14.344 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.016 -11.781 13.793 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.643 -11.542 15.488 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.986 -12.494 16.639 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.797 -11.203 16.838 1.00 0.00 H new ATOM 799 N GLY A 52 -8.704 -8.298 15.947 1.00 0.00 N ATOM 800 CA GLY A 52 -8.364 -7.569 17.158 1.00 0.00 C ATOM 801 C GLY A 52 -6.909 -7.819 17.558 1.00 0.00 C ATOM 802 O GLY A 52 -6.366 -7.116 18.409 1.00 0.00 O ATOM 0 H GLY A 52 -8.222 -7.978 15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.524 -6.502 17.001 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.025 -7.875 17.969 1.00 0.00 H new ATOM 806 N GLN A 53 -6.319 -8.823 16.925 1.00 0.00 N ATOM 807 CA GLN A 53 -4.937 -9.174 17.205 1.00 0.00 C ATOM 808 C GLN A 53 -4.015 -8.602 16.126 1.00 0.00 C ATOM 809 O GLN A 53 -4.409 -8.484 14.967 1.00 0.00 O ATOM 810 CB GLN A 53 -4.770 -10.691 17.322 1.00 0.00 C ATOM 811 CG GLN A 53 -4.613 -11.333 15.942 1.00 0.00 C ATOM 812 CD GLN A 53 -4.812 -12.848 16.016 1.00 0.00 C ATOM 813 OE1 GLN A 53 -5.762 -13.347 16.596 1.00 0.00 O ATOM 814 NE2 GLN A 53 -3.865 -13.549 15.398 1.00 0.00 N ATOM 0 H GLN A 53 -6.773 -9.404 16.220 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.658 -8.736 18.163 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.897 -10.918 17.934 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.635 -11.118 17.829 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.337 -10.901 15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.622 -11.112 15.545 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.096 -13.067 14.931 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.908 -14.568 15.391 1.00 0.00 H new ATOM 823 N VAL A 54 -2.805 -8.263 16.546 1.00 0.00 N ATOM 824 CA VAL A 54 -1.824 -7.706 15.630 1.00 0.00 C ATOM 825 C VAL A 54 -1.056 -8.846 14.957 1.00 0.00 C ATOM 826 O VAL A 54 -0.641 -9.796 15.620 1.00 0.00 O ATOM 827 CB VAL A 54 -0.912 -6.727 16.372 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.398 -6.514 15.610 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.624 -5.396 16.622 1.00 0.00 C ATOM 0 H VAL A 54 -2.482 -8.363 17.508 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.317 -7.137 14.842 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.669 -7.163 17.341 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.028 -5.814 16.159 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.918 -7.466 15.507 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.182 -6.110 14.621 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.954 -4.718 17.151 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.911 -4.952 15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.516 -5.568 17.225 1.00 0.00 H new ATOM 839 N ILE A 55 -0.890 -8.714 13.650 1.00 0.00 N ATOM 840 CA ILE A 55 -0.180 -9.721 12.880 1.00 0.00 C ATOM 841 C ILE A 55 1.155 -9.145 12.404 1.00 0.00 C ATOM 842 O ILE A 55 2.180 -9.824 12.449 1.00 0.00 O ATOM 843 CB ILE A 55 -1.061 -10.249 11.746 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.925 -9.132 11.157 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.902 -11.439 12.213 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.254 -9.014 11.907 1.00 0.00 C ATOM 0 H ILE A 55 -1.235 -7.925 13.104 1.00 0.00 H new ATOM 0 HA ILE A 55 0.049 -10.585 13.503 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.411 -10.608 10.948 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.388 -8.185 11.210 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.115 -9.332 10.102 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.519 -11.795 11.388 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.244 -12.241 12.546 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.543 -11.130 13.038 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.849 -8.213 11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.799 -9.955 11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.061 -8.790 12.956 1.00 0.00 H new ATOM 858 N TRP A 56 1.101 -7.898 11.959 1.00 0.00 N ATOM 859 CA TRP A 56 2.293 -7.223 11.476 1.00 0.00 C ATOM 860 C TRP A 56 2.391 -5.871 12.184 1.00 0.00 C ATOM 861 O TRP A 56 1.398 -5.153 12.299 1.00 0.00 O ATOM 862 CB TRP A 56 2.273 -7.100 9.951 1.00 0.00 C ATOM 863 CG TRP A 56 3.424 -6.271 9.378 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.601 -6.708 8.909 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.462 -4.836 9.233 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.391 -5.663 8.473 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.676 -4.489 8.676 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.501 -3.863 9.560 1.00 0.00 C ATOM 869 CZ2 TRP A 56 5.042 -3.166 8.399 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.882 -2.546 9.276 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.101 -2.180 8.717 1.00 0.00 C ATOM 0 H TRP A 56 0.250 -7.337 11.923 1.00 0.00 H new ATOM 0 HA TRP A 56 3.186 -7.803 11.709 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.307 -8.099 9.516 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.328 -6.651 9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.895 -7.747 8.876 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.327 -5.739 8.075 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.545 -4.112 9.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.999 -2.920 7.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.179 -1.759 9.508 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.321 -1.139 8.529 1.00 0.00 H new ATOM 882 N LYS A 57 3.596 -5.563 12.640 1.00 0.00 N ATOM 883 CA LYS A 57 3.836 -4.309 13.334 1.00 0.00 C ATOM 884 C LYS A 57 5.150 -3.701 12.840 1.00 0.00 C ATOM 885 O LYS A 57 6.215 -4.292 13.013 1.00 0.00 O ATOM 886 CB LYS A 57 3.786 -4.517 14.849 1.00 0.00 C ATOM 887 CG LYS A 57 4.236 -3.257 15.591 1.00 0.00 C ATOM 888 CD LYS A 57 3.400 -3.036 16.853 1.00 0.00 C ATOM 889 CE LYS A 57 4.225 -3.311 18.112 1.00 0.00 C ATOM 890 NZ LYS A 57 4.345 -2.085 18.932 1.00 0.00 N ATOM 0 H LYS A 57 4.417 -6.160 12.542 1.00 0.00 H new ATOM 0 HA LYS A 57 3.047 -3.591 13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.772 -4.778 15.150 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.426 -5.355 15.126 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.289 -3.345 15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.145 -2.392 14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.029 -2.011 16.873 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.528 -3.690 16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.755 -4.102 18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.217 -3.668 17.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.286 -2.053 19.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.217 -1.249 18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.616 -2.091 19.673 1.00 0.00 H new ATOM 904 N GLY A 58 5.031 -2.529 12.234 1.00 0.00 N ATOM 905 CA GLY A 58 6.197 -1.834 11.713 1.00 0.00 C ATOM 906 C GLY A 58 5.786 -0.735 10.731 1.00 0.00 C ATOM 907 O GLY A 58 4.622 -0.342 10.685 1.00 0.00 O ATOM 0 H GLY A 58 4.146 -2.043 12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.763 -1.398 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.856 -2.545 11.214 1.00 0.00 H new ATOM 911 N SER A 59 6.766 -0.270 9.970 1.00 0.00 N ATOM 912 CA SER A 59 6.522 0.776 8.992 1.00 0.00 C ATOM 913 C SER A 59 6.165 0.155 7.640 1.00 0.00 C ATOM 914 O SER A 59 6.654 -0.921 7.298 1.00 0.00 O ATOM 915 CB SER A 59 7.738 1.693 8.850 1.00 0.00 C ATOM 916 OG SER A 59 8.343 1.975 10.109 1.00 0.00 O ATOM 0 H SER A 59 7.731 -0.599 10.011 1.00 0.00 H new ATOM 0 HA SER A 59 5.684 1.380 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.470 1.225 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.435 2.627 8.376 1.00 0.00 H new ATOM 0 HG SER A 59 9.117 2.562 9.976 1.00 0.00 H new ATOM 922 N LEU A 60 5.315 0.860 6.907 1.00 0.00 N ATOM 923 CA LEU A 60 4.887 0.391 5.600 1.00 0.00 C ATOM 924 C LEU A 60 6.091 0.355 4.656 1.00 0.00 C ATOM 925 O LEU A 60 6.755 1.370 4.453 1.00 0.00 O ATOM 926 CB LEU A 60 3.724 1.239 5.081 1.00 0.00 C ATOM 927 CG LEU A 60 2.375 1.022 5.770 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.274 1.835 5.088 1.00 0.00 C ATOM 929 CD2 LEU A 60 2.029 -0.467 5.840 1.00 0.00 C ATOM 0 H LEU A 60 4.912 1.752 7.193 1.00 0.00 H new ATOM 0 HA LEU A 60 4.504 -0.627 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.995 2.290 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.602 1.040 4.016 1.00 0.00 H new ATOM 0 HG LEU A 60 2.453 1.383 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.326 1.663 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.523 2.895 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.187 1.528 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.066 -0.594 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.976 -0.876 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.799 -0.993 6.405 1.00 0.00 H new ATOM 941 N THR A 61 6.335 -0.825 4.105 1.00 0.00 N ATOM 942 CA THR A 61 7.447 -1.006 3.188 1.00 0.00 C ATOM 943 C THR A 61 7.229 -0.185 1.916 1.00 0.00 C ATOM 944 O THR A 61 8.180 0.113 1.194 1.00 0.00 O ATOM 945 CB THR A 61 7.602 -2.505 2.924 1.00 0.00 C ATOM 946 OG1 THR A 61 8.293 -2.991 4.072 1.00 0.00 O ATOM 947 CG2 THR A 61 8.555 -2.800 1.763 1.00 0.00 C ATOM 0 H THR A 61 5.782 -1.665 4.276 1.00 0.00 H new ATOM 0 HA THR A 61 8.378 -0.638 3.619 1.00 0.00 H new ATOM 0 HB THR A 61 6.625 -2.938 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.659 -3.108 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.629 -3.878 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.174 -2.337 0.853 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.541 -2.396 1.990 1.00 0.00 H new ATOM 955 N SER A 62 5.972 0.159 1.680 1.00 0.00 N ATOM 956 CA SER A 62 5.617 0.941 0.508 1.00 0.00 C ATOM 957 C SER A 62 4.185 1.463 0.641 1.00 0.00 C ATOM 958 O SER A 62 3.453 1.056 1.542 1.00 0.00 O ATOM 959 CB SER A 62 5.763 0.114 -0.770 1.00 0.00 C ATOM 960 OG SER A 62 7.092 -0.371 -0.944 1.00 0.00 O ATOM 0 H SER A 62 5.186 -0.090 2.281 1.00 0.00 H new ATOM 0 HA SER A 62 6.301 1.787 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.071 -0.728 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.484 0.723 -1.630 1.00 0.00 H new ATOM 0 HG SER A 62 7.720 0.220 -0.478 1.00 0.00 H new ATOM 966 N LEU A 63 3.828 2.358 -0.269 1.00 0.00 N ATOM 967 CA LEU A 63 2.497 2.940 -0.264 1.00 0.00 C ATOM 968 C LEU A 63 2.232 3.607 -1.615 1.00 0.00 C ATOM 969 O LEU A 63 3.005 4.457 -2.054 1.00 0.00 O ATOM 970 CB LEU A 63 2.328 3.882 0.930 1.00 0.00 C ATOM 971 CG LEU A 63 0.973 4.582 1.046 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.113 3.605 1.500 1.00 0.00 C ATOM 973 CD2 LEU A 63 1.064 5.805 1.961 1.00 0.00 C ATOM 0 H LEU A 63 4.438 2.694 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 63 1.743 2.164 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.500 3.313 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.105 4.644 0.879 1.00 0.00 H new ATOM 0 HG LEU A 63 0.689 4.941 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.066 4.129 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.200 2.795 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.152 3.194 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.087 6.284 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.382 5.492 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.788 6.511 1.554 1.00 0.00 H new ATOM 985 N LYS A 64 1.136 3.196 -2.237 1.00 0.00 N ATOM 986 CA LYS A 64 0.759 3.743 -3.529 1.00 0.00 C ATOM 987 C LYS A 64 -0.757 3.943 -3.571 1.00 0.00 C ATOM 988 O LYS A 64 -1.510 3.119 -3.055 1.00 0.00 O ATOM 989 CB LYS A 64 1.295 2.863 -4.660 1.00 0.00 C ATOM 990 CG LYS A 64 2.789 2.585 -4.478 1.00 0.00 C ATOM 991 CD LYS A 64 3.409 2.052 -5.771 1.00 0.00 C ATOM 992 CE LYS A 64 4.616 1.161 -5.474 1.00 0.00 C ATOM 993 NZ LYS A 64 5.069 0.474 -6.704 1.00 0.00 N ATOM 0 H LYS A 64 0.497 2.491 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 64 1.214 4.723 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.747 1.921 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.127 3.354 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.299 3.500 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.933 1.861 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.663 1.486 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.715 2.886 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.428 1.763 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.353 0.424 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.889 -0.127 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.298 -0.116 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.339 1.181 -7.417 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.160 5.043 -4.191 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.573 5.361 -4.308 1.00 0.00 C ATOM 1009 C HIS A 65 -3.132 4.751 -5.594 1.00 0.00 C ATOM 1010 O HIS A 65 -3.641 5.467 -6.455 1.00 0.00 O ATOM 1011 CB HIS A 65 -2.798 6.872 -4.221 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.180 7.312 -4.640 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.332 6.677 -4.209 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -4.583 8.330 -5.454 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.375 7.292 -4.746 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -5.909 8.316 -5.517 1.00 0.00 N ATOM 0 H HIS A 65 -0.533 5.725 -4.617 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.119 4.922 -3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.619 7.197 -3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.062 7.375 -4.848 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.371 5.872 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.934 9.028 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.412 7.029 -4.599 1.00 0.00 H new ATOM 1075 N ASP A 69 2.773 7.526 -6.721 1.00 0.00 N ATOM 1076 CA ASP A 69 3.685 7.531 -5.589 1.00 0.00 C ATOM 1077 C ASP A 69 3.387 8.743 -4.705 1.00 0.00 C ATOM 1078 O ASP A 69 4.061 9.768 -4.803 1.00 0.00 O ATOM 1079 CB ASP A 69 5.139 7.631 -6.055 1.00 0.00 C ATOM 1080 CG ASP A 69 5.477 6.812 -7.302 1.00 0.00 C ATOM 1081 OD1 ASP A 69 5.316 5.575 -7.230 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.888 7.442 -8.301 1.00 0.00 O ATOM 0 HA ASP A 69 3.546 6.601 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.370 8.678 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.788 7.310 -5.241 1.00 0.00 H new ATOM 1087 N ILE A 70 2.377 8.587 -3.862 1.00 0.00 N ATOM 1088 CA ILE A 70 1.982 9.656 -2.961 1.00 0.00 C ATOM 1089 C ILE A 70 2.740 9.511 -1.640 1.00 0.00 C ATOM 1090 O ILE A 70 3.402 8.500 -1.409 1.00 0.00 O ATOM 1091 CB ILE A 70 0.461 9.684 -2.797 1.00 0.00 C ATOM 1092 CG1 ILE A 70 0.008 10.964 -2.092 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.036 8.428 -2.079 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.420 11.337 -2.496 1.00 0.00 C ATOM 0 H ILE A 70 1.820 7.736 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 70 2.253 10.626 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 70 0.011 9.687 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.060 10.826 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.685 11.780 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.120 8.473 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.237 7.546 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.421 8.369 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.717 12.250 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.463 11.498 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.098 10.529 -2.222 1.00 0.00 H new ATOM 1106 N SER A 71 2.618 10.535 -0.809 1.00 0.00 N ATOM 1107 CA SER A 71 3.284 10.534 0.482 1.00 0.00 C ATOM 1108 C SER A 71 2.246 10.547 1.606 1.00 0.00 C ATOM 1109 O SER A 71 2.456 9.943 2.657 1.00 0.00 O ATOM 1110 CB SER A 71 4.227 11.732 0.617 1.00 0.00 C ATOM 1111 OG SER A 71 5.535 11.438 0.135 1.00 0.00 O ATOM 0 H SER A 71 2.068 11.371 -1.005 1.00 0.00 H new ATOM 0 HA SER A 71 3.881 9.625 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.819 12.579 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.285 12.032 1.663 1.00 0.00 H new ATOM 0 HG SER A 71 6.106 12.228 0.237 1.00 0.00 H new ATOM 1117 N VAL A 72 1.148 11.242 1.347 1.00 0.00 N ATOM 1118 CA VAL A 72 0.077 11.341 2.324 1.00 0.00 C ATOM 1119 C VAL A 72 -1.249 10.961 1.661 1.00 0.00 C ATOM 1120 O VAL A 72 -1.496 11.319 0.510 1.00 0.00 O ATOM 1121 CB VAL A 72 0.058 12.742 2.939 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.329 13.079 3.491 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.128 12.879 4.023 1.00 0.00 C ATOM 0 H VAL A 72 0.977 11.742 0.475 1.00 0.00 H new ATOM 0 HA VAL A 72 0.242 10.643 3.144 1.00 0.00 H new ATOM 0 HB VAL A 72 0.288 13.458 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.316 14.080 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.061 13.042 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.600 12.356 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.093 13.884 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.943 12.149 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.112 12.702 3.588 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.066 10.241 2.415 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.360 9.808 1.915 1.00 0.00 C ATOM 1135 C ILE A 73 -4.466 10.461 2.745 1.00 0.00 C ATOM 1136 O ILE A 73 -4.535 10.266 3.958 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.437 8.281 1.880 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.449 7.705 0.864 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.869 7.810 1.617 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.898 8.003 -0.568 1.00 0.00 C ATOM 0 H ILE A 73 -1.857 9.946 3.369 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.499 10.134 0.884 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.148 7.902 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.459 8.128 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.363 6.628 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.896 6.721 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.523 8.175 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.209 8.199 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.178 7.583 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.877 7.558 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.959 9.082 -0.713 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.305 11.224 2.059 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.405 11.907 2.718 1.00 0.00 C ATOM 1154 C LYS A 74 -7.559 10.923 2.927 1.00 0.00 C ATOM 1155 O LYS A 74 -7.486 9.774 2.494 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.801 13.162 1.938 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.564 13.954 1.509 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.921 14.996 0.447 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.661 15.582 -0.191 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.677 17.060 -0.109 1.00 0.00 N ATOM 0 H LYS A 74 -5.245 11.384 1.053 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.100 12.256 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.380 12.880 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.444 13.790 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.126 14.449 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.810 13.272 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.543 14.538 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.509 15.795 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.776 15.194 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.596 15.271 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.814 17.441 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.511 17.427 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.717 17.352 0.888 1.00 0.00 H new ATOM 1174 N THR A 75 -8.597 11.410 3.591 1.00 0.00 N ATOM 1175 CA THR A 75 -9.764 10.589 3.862 1.00 0.00 C ATOM 1176 C THR A 75 -10.593 10.403 2.590 1.00 0.00 C ATOM 1177 O THR A 75 -10.672 11.307 1.759 1.00 0.00 O ATOM 1178 CB THR A 75 -10.544 11.239 5.006 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.649 11.180 6.114 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.742 10.397 5.451 1.00 0.00 C ATOM 0 H THR A 75 -8.654 12.363 3.949 1.00 0.00 H new ATOM 0 HA THR A 75 -9.477 9.585 4.174 1.00 0.00 H new ATOM 0 HB THR A 75 -10.888 12.225 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.815 10.745 5.838 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.261 10.904 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.425 10.264 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.395 9.422 5.793 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.191 9.226 2.477 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.011 8.910 1.321 1.00 0.00 C ATOM 1190 C GLY A 76 -11.153 8.394 0.164 1.00 0.00 C ATOM 1191 O GLY A 76 -11.677 7.865 -0.815 1.00 0.00 O ATOM 0 H GLY A 76 -11.123 8.479 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.753 8.159 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.558 9.798 1.005 1.00 0.00 H new ATOM 1195 N MET A 77 -9.848 8.567 0.315 1.00 0.00 N ATOM 1196 CA MET A 77 -8.912 8.125 -0.705 1.00 0.00 C ATOM 1197 C MET A 77 -8.497 6.670 -0.475 1.00 0.00 C ATOM 1198 O MET A 77 -8.095 6.302 0.628 1.00 0.00 O ATOM 1199 CB MET A 77 -7.671 9.019 -0.681 1.00 0.00 C ATOM 1200 CG MET A 77 -8.016 10.446 -1.113 1.00 0.00 C ATOM 1201 SD MET A 77 -6.548 11.463 -1.088 1.00 0.00 S ATOM 1202 CE MET A 77 -5.739 10.875 -2.566 1.00 0.00 C ATOM 0 H MET A 77 -9.417 9.007 1.128 1.00 0.00 H new ATOM 0 HA MET A 77 -9.402 8.195 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.247 9.032 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.909 8.608 -1.344 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.446 10.438 -2.115 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.770 10.865 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.772 10.445 -2.305 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.358 10.114 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.592 11.706 -3.256 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.609 5.882 -1.534 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.250 4.476 -1.462 1.00 0.00 C ATOM 1214 C ASP A 78 -6.782 4.307 -1.859 1.00 0.00 C ATOM 1215 O ASP A 78 -6.353 4.816 -2.893 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.099 3.641 -2.423 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.453 4.252 -2.787 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -11.372 4.138 -1.948 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.539 4.821 -3.897 1.00 0.00 O ATOM 0 H ASP A 78 -8.943 6.191 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.422 4.136 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.531 3.481 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.268 2.661 -1.977 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.053 3.590 -1.017 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.643 3.347 -1.268 1.00 0.00 C ATOM 1226 C CYS A 79 -4.332 1.895 -0.900 1.00 0.00 C ATOM 1227 O CYS A 79 -5.122 1.240 -0.222 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.755 4.332 -0.503 1.00 0.00 C ATOM 1229 SG CYS A 79 -3.916 4.051 1.298 1.00 0.00 S ATOM 0 H CYS A 79 -6.412 3.169 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.426 3.507 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.716 4.209 -0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.039 5.356 -0.747 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.030 3.181 1.682 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.180 1.434 -1.364 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.755 0.071 -1.093 1.00 0.00 C ATOM 1237 C GLY A 80 -1.365 0.047 -0.454 1.00 0.00 C ATOM 1238 O GLY A 80 -0.417 0.608 -1.002 1.00 0.00 O ATOM 0 H GLY A 80 -2.527 1.980 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.472 -0.412 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.743 -0.501 -2.021 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.287 -0.609 0.694 1.00 0.00 N ATOM 1243 CA LEU A 81 -0.029 -0.714 1.413 1.00 0.00 C ATOM 1244 C LEU A 81 0.420 -2.176 1.437 1.00 0.00 C ATOM 1245 O LEU A 81 -0.405 -3.080 1.565 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.151 -0.085 2.802 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.195 -0.708 3.731 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.614 -1.908 4.482 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.776 0.339 4.684 1.00 0.00 C ATOM 0 H LEU A 81 -2.075 -1.074 1.145 1.00 0.00 H new ATOM 0 HA LEU A 81 0.750 -0.150 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.821 -0.141 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.386 0.972 2.681 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.018 -1.079 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.376 -2.332 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.289 -2.663 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.238 -1.585 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.515 -0.130 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.976 0.762 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.251 1.132 4.107 1.00 0.00 H new ATOM 1261 N SER A 82 1.725 -2.364 1.312 1.00 0.00 N ATOM 1262 CA SER A 82 2.293 -3.702 1.318 1.00 0.00 C ATOM 1263 C SER A 82 3.384 -3.802 2.386 1.00 0.00 C ATOM 1264 O SER A 82 4.145 -2.858 2.592 1.00 0.00 O ATOM 1265 CB SER A 82 2.860 -4.066 -0.056 1.00 0.00 C ATOM 1266 OG SER A 82 3.716 -3.048 -0.567 1.00 0.00 O ATOM 0 H SER A 82 2.406 -1.612 1.206 1.00 0.00 H new ATOM 0 HA SER A 82 1.498 -4.410 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.413 -5.002 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.040 -4.234 -0.754 1.00 0.00 H new ATOM 0 HG SER A 82 4.059 -3.319 -1.444 1.00 0.00 H new ATOM 1272 N LEU A 83 3.426 -4.955 3.037 1.00 0.00 N ATOM 1273 CA LEU A 83 4.411 -5.191 4.079 1.00 0.00 C ATOM 1274 C LEU A 83 5.579 -5.991 3.498 1.00 0.00 C ATOM 1275 O LEU A 83 5.397 -6.779 2.571 1.00 0.00 O ATOM 1276 CB LEU A 83 3.758 -5.852 5.294 1.00 0.00 C ATOM 1277 CG LEU A 83 2.435 -5.241 5.760 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.786 -6.101 6.846 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.631 -3.793 6.217 1.00 0.00 C ATOM 0 H LEU A 83 2.794 -5.736 2.863 1.00 0.00 H new ATOM 0 HA LEU A 83 4.818 -4.246 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.588 -6.904 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.463 -5.818 6.124 1.00 0.00 H new ATOM 0 HG LEU A 83 1.750 -5.222 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.847 -5.644 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.590 -7.098 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.457 -6.174 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.676 -3.382 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.340 -3.765 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.018 -3.199 5.389 1.00 0.00 H new ATOM 1291 N ASP A 84 6.754 -5.759 4.066 1.00 0.00 N ATOM 1292 CA ASP A 84 7.951 -6.448 3.616 1.00 0.00 C ATOM 1293 C ASP A 84 7.812 -7.944 3.903 1.00 0.00 C ATOM 1294 O ASP A 84 8.512 -8.762 3.307 1.00 0.00 O ATOM 1295 CB ASP A 84 9.190 -5.938 4.355 1.00 0.00 C ATOM 1296 CG ASP A 84 9.105 -6.001 5.881 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.147 -5.406 6.421 1.00 0.00 O ATOM 1298 OD2 ASP A 84 9.999 -6.643 6.474 1.00 0.00 O ATOM 0 H ASP A 84 6.902 -5.104 4.834 1.00 0.00 H new ATOM 0 HA ASP A 84 8.066 -6.262 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.053 -6.519 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.372 -4.905 4.059 1.00 0.00 H new ATOM 1303 N GLU A 85 6.905 -8.257 4.816 1.00 0.00 N ATOM 1304 CA GLU A 85 6.665 -9.641 5.189 1.00 0.00 C ATOM 1305 C GLU A 85 5.412 -10.170 4.489 1.00 0.00 C ATOM 1306 O GLU A 85 4.315 -10.111 5.044 1.00 0.00 O ATOM 1307 CB GLU A 85 6.548 -9.787 6.708 1.00 0.00 C ATOM 1308 CG GLU A 85 6.843 -11.223 7.145 1.00 0.00 C ATOM 1309 CD GLU A 85 8.325 -11.400 7.481 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.808 -10.633 8.342 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.942 -12.299 6.869 1.00 0.00 O ATOM 0 H GLU A 85 6.327 -7.576 5.309 1.00 0.00 H new ATOM 0 HA GLU A 85 7.518 -10.237 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.243 -9.104 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.545 -9.504 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.237 -11.474 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.561 -11.914 6.350 1.00 0.00 H new ATOM 1318 N GLU A 86 5.616 -10.675 3.282 1.00 0.00 N ATOM 1319 CA GLU A 86 4.516 -11.214 2.500 1.00 0.00 C ATOM 1320 C GLU A 86 3.724 -12.229 3.328 1.00 0.00 C ATOM 1321 O GLU A 86 2.554 -12.485 3.048 1.00 0.00 O ATOM 1322 CB GLU A 86 5.022 -11.842 1.200 1.00 0.00 C ATOM 1323 CG GLU A 86 6.003 -12.980 1.488 1.00 0.00 C ATOM 1324 CD GLU A 86 7.357 -12.719 0.823 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.392 -12.756 -0.426 1.00 0.00 O ATOM 1326 OE2 GLU A 86 8.325 -12.487 1.579 1.00 0.00 O ATOM 0 H GLU A 86 6.527 -10.723 2.826 1.00 0.00 H new ATOM 0 HA GLU A 86 3.850 -10.394 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.179 -12.221 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.510 -11.082 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.137 -13.086 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.591 -13.921 1.124 1.00 0.00 H new ATOM 1333 N LYS A 87 4.395 -12.779 4.329 1.00 0.00 N ATOM 1334 CA LYS A 87 3.769 -13.761 5.199 1.00 0.00 C ATOM 1335 C LYS A 87 2.462 -13.187 5.751 1.00 0.00 C ATOM 1336 O LYS A 87 1.429 -13.854 5.730 1.00 0.00 O ATOM 1337 CB LYS A 87 4.747 -14.216 6.284 1.00 0.00 C ATOM 1338 CG LYS A 87 5.817 -15.143 5.703 1.00 0.00 C ATOM 1339 CD LYS A 87 7.075 -15.142 6.574 1.00 0.00 C ATOM 1340 CE LYS A 87 7.936 -16.375 6.295 1.00 0.00 C ATOM 1341 NZ LYS A 87 8.989 -16.058 5.303 1.00 0.00 N ATOM 0 H LYS A 87 5.366 -12.564 4.557 1.00 0.00 H new ATOM 0 HA LYS A 87 3.512 -14.659 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.222 -13.347 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.204 -14.733 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.423 -16.157 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.070 -14.824 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.654 -14.239 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.793 -15.122 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.393 -16.724 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.310 -17.186 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.565 -16.906 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.547 -15.747 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.596 -15.299 5.672 1.00 0.00 H new ATOM 1355 N VAL A 88 2.550 -11.955 6.231 1.00 0.00 N ATOM 1356 CA VAL A 88 1.388 -11.284 6.788 1.00 0.00 C ATOM 1357 C VAL A 88 0.358 -11.054 5.679 1.00 0.00 C ATOM 1358 O VAL A 88 0.661 -10.425 4.667 1.00 0.00 O ATOM 1359 CB VAL A 88 1.814 -9.991 7.485 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.608 -9.273 8.094 1.00 0.00 C ATOM 1361 CG2 VAL A 88 2.881 -10.267 8.547 1.00 0.00 C ATOM 0 H VAL A 88 3.408 -11.404 6.246 1.00 0.00 H new ATOM 0 HA VAL A 88 0.915 -11.906 7.548 1.00 0.00 H new ATOM 0 HB VAL A 88 2.251 -9.334 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.939 -8.357 8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.105 -9.027 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.129 -9.923 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.167 -9.331 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.481 -10.952 9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.756 -10.715 8.076 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.838 -11.576 5.909 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.914 -11.436 4.943 1.00 0.00 C ATOM 1373 C GLU A 89 -2.999 -10.506 5.489 1.00 0.00 C ATOM 1374 O GLU A 89 -3.277 -10.506 6.687 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.497 -12.800 4.570 1.00 0.00 C ATOM 1376 CG GLU A 89 -2.167 -13.160 3.120 1.00 0.00 C ATOM 1377 CD GLU A 89 -2.968 -14.380 2.661 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -4.211 -14.257 2.615 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -2.320 -15.407 2.367 1.00 0.00 O ATOM 0 H GLU A 89 -1.085 -12.097 6.751 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.506 -10.992 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.099 -13.564 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.578 -12.787 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.387 -12.312 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.100 -13.365 3.026 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.584 -9.735 4.583 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.633 -8.802 4.959 1.00 0.00 C ATOM 1388 C PHE A 90 -6.007 -9.324 4.535 1.00 0.00 C ATOM 1389 O PHE A 90 -6.144 -9.935 3.477 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.349 -7.491 4.224 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.860 -7.191 4.038 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.174 -7.767 3.015 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.223 -6.349 4.895 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -0.792 -7.489 2.842 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -0.842 -6.071 4.722 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.155 -6.647 3.699 1.00 0.00 C ATOM 0 H PHE A 90 -3.351 -9.738 3.590 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.643 -8.668 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.827 -7.524 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.808 -6.671 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.680 -8.436 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.768 -5.892 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.247 -7.946 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.337 -5.402 5.403 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.896 -6.436 3.567 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.991 -9.063 5.384 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.350 -9.498 5.111 1.00 0.00 C ATOM 1408 C LYS A 91 -9.292 -8.296 5.196 1.00 0.00 C ATOM 1409 O LYS A 91 -8.959 -7.283 5.809 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.740 -10.651 6.038 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.265 -11.992 5.474 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.445 -12.820 4.962 1.00 0.00 C ATOM 1413 CE LYS A 91 -9.021 -14.262 4.677 1.00 0.00 C ATOM 1414 NZ LYS A 91 -8.616 -14.413 3.261 1.00 0.00 N ATOM 0 H LYS A 91 -6.874 -8.556 6.261 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.427 -9.894 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.305 -10.493 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.822 -10.669 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.558 -11.819 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.734 -12.548 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.247 -12.812 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.844 -12.368 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.193 -14.540 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.844 -14.940 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.331 -15.398 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.416 -14.168 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.816 -13.780 3.059 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.482 -8.451 4.555 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.475 -7.391 4.552 1.00 0.00 C ATOM 1430 C PRO A 92 -12.178 -7.295 5.908 1.00 0.00 C ATOM 1431 O PRO A 92 -13.206 -7.935 6.124 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.421 -7.741 3.416 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.196 -9.216 3.125 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.911 -9.637 3.819 1.00 0.00 C ATOM 0 HA PRO A 92 -11.037 -6.405 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.457 -7.552 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.215 -7.133 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.037 -9.809 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.123 -9.386 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.081 -10.479 4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.156 -9.950 3.098 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.596 -6.491 6.785 1.00 0.00 N ATOM 1443 CA GLY A 93 -12.155 -6.303 8.113 1.00 0.00 C ATOM 1444 C GLY A 93 -11.072 -5.878 9.108 1.00 0.00 C ATOM 1445 O GLY A 93 -11.373 -5.284 10.142 1.00 0.00 O ATOM 0 H GLY A 93 -10.743 -5.962 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.939 -5.546 8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.621 -7.229 8.450 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.835 -6.198 8.760 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.706 -5.857 9.609 1.00 0.00 C ATOM 1451 C ASP A 94 -8.703 -4.348 9.864 1.00 0.00 C ATOM 1452 O ASP A 94 -9.661 -3.656 9.524 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.381 -6.226 8.939 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.324 -7.639 8.354 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.334 -8.358 8.508 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.270 -7.967 7.766 1.00 0.00 O ATOM 0 H ASP A 94 -9.589 -6.690 7.901 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.805 -6.413 10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.183 -5.510 8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.579 -6.119 9.670 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.615 -3.883 10.460 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.475 -2.470 10.764 1.00 0.00 C ATOM 1463 C GLN A 95 -6.017 -2.034 10.601 1.00 0.00 C ATOM 1464 O GLN A 95 -5.101 -2.827 10.811 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.985 -2.159 12.173 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.452 -1.725 12.140 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.903 -1.215 13.511 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.603 -0.104 13.917 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -10.639 -2.085 14.197 1.00 0.00 N ATOM 0 H GLN A 95 -6.822 -4.460 10.740 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.085 -1.905 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.876 -3.040 12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.378 -1.370 12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.587 -0.942 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.077 -2.565 11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.853 -2.999 13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.989 -1.838 15.123 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.848 -0.774 10.228 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.517 -0.223 10.034 1.00 0.00 C ATOM 1480 C VAL A 96 -4.395 1.089 10.811 1.00 0.00 C ATOM 1481 O VAL A 96 -4.899 2.123 10.374 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.230 -0.062 8.540 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.022 0.848 8.309 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.028 -1.423 7.871 1.00 0.00 C ATOM 0 H VAL A 96 -6.610 -0.119 10.055 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.761 -0.904 10.425 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.098 0.411 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.839 0.946 7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.221 1.832 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.144 0.416 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.826 -1.280 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.185 -1.935 8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.929 -2.025 7.991 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.723 1.006 11.950 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.528 2.174 12.792 1.00 0.00 C ATOM 1496 C ILE A 97 -2.127 2.740 12.555 1.00 0.00 C ATOM 1497 O ILE A 97 -1.130 2.055 12.779 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.814 1.833 14.256 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -5.111 1.031 14.389 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.830 3.096 15.120 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -6.291 1.792 13.780 1.00 0.00 C ATOM 0 H ILE A 97 -3.306 0.147 12.310 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.238 2.958 12.527 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.006 1.201 14.624 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.000 0.067 13.892 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.310 0.826 15.441 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.035 2.826 16.156 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.861 3.591 15.059 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.606 3.773 14.761 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.200 1.200 13.888 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.415 2.744 14.295 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.100 1.974 12.722 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.095 3.986 12.104 1.00 0.00 N ATOM 1514 CA CYS A 98 -0.832 4.652 11.834 1.00 0.00 C ATOM 1515 C CYS A 98 -0.524 5.589 13.003 1.00 0.00 C ATOM 1516 O CYS A 98 -1.061 6.693 13.077 1.00 0.00 O ATOM 1517 CB CYS A 98 -0.859 5.396 10.498 1.00 0.00 C ATOM 1518 SG CYS A 98 0.604 6.487 10.359 1.00 0.00 S ATOM 0 H CYS A 98 -2.923 4.551 11.919 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.038 3.910 11.745 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.870 4.682 9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.772 5.986 10.420 1.00 0.00 H new ATOM 0 HG CYS A 98 1.351 6.088 9.373 1.00 0.00 H new ATOM 1524 N TYR A 99 0.340 5.115 13.889 1.00 0.00 N ATOM 1525 CA TYR A 99 0.726 5.897 15.051 1.00 0.00 C ATOM 1526 C TYR A 99 2.243 6.090 15.102 1.00 0.00 C ATOM 1527 O TYR A 99 2.982 5.426 14.377 1.00 0.00 O ATOM 1528 CB TYR A 99 0.286 5.085 16.271 1.00 0.00 C ATOM 1529 CG TYR A 99 1.214 3.916 16.609 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.100 2.724 15.923 1.00 0.00 C ATOM 1531 CD2 TYR A 99 2.166 4.055 17.599 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.974 1.624 16.241 1.00 0.00 C ATOM 1533 CE2 TYR A 99 3.039 2.955 17.917 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.900 1.794 17.222 1.00 0.00 C ATOM 1535 OH TYR A 99 3.725 0.756 17.523 1.00 0.00 O ATOM 0 H TYR A 99 0.784 4.199 13.825 1.00 0.00 H new ATOM 0 HA TYR A 99 0.267 6.885 15.019 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.226 5.749 17.134 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.718 4.699 16.095 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.356 2.616 15.148 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.256 4.988 18.135 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.896 0.686 15.712 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.787 3.050 18.690 1.00 0.00 H new ATOM 0 HH TYR A 99 4.336 1.021 18.242 1.00 0.00 H new