USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -1.09 K(o=-1.2,f=-8.3!) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.146 USER MOD Set 2.1: A 6 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.207 K(o=0.21,f=-3!) USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 146:sc= 0.155 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.029 (180deg=-0.297) USER MOD Single : A 25 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-5!) USER MOD Single : A 31 THR OG1 : rot 146:sc= 0.132 USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= -0.146 (180deg=-0.702) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.11 F(o=-2.5,f=-0.11) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -150:sc= 0.076 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.592 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.449 -5.139 -13.978 1.00 0.00 N ATOM 82 CA TYR A 6 4.119 -4.861 -14.622 1.00 0.00 C ATOM 83 C TYR A 6 3.689 -3.428 -14.285 1.00 0.00 C ATOM 84 O TYR A 6 3.971 -2.944 -13.206 1.00 0.00 O ATOM 85 CB TYR A 6 3.020 -5.838 -14.092 1.00 0.00 C ATOM 86 CG TYR A 6 3.573 -7.115 -13.433 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.448 -7.958 -14.096 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.183 -7.437 -12.146 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.914 -9.097 -13.475 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.649 -8.575 -11.530 1.00 0.00 C ATOM 91 CZ TYR A 6 4.521 -9.415 -12.190 1.00 0.00 C ATOM 92 OH TYR A 6 4.990 -10.558 -11.576 1.00 0.00 O ATOM 0 HA TYR A 6 4.227 -4.997 -15.698 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.399 -5.310 -13.369 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.372 -6.122 -14.921 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.766 -7.723 -15.101 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.503 -6.786 -11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.596 -9.749 -14.001 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.331 -8.812 -10.525 1.00 0.00 H new ATOM 0 HH TYR A 6 5.884 -10.769 -11.917 1.00 0.00 H new ATOM 102 N GLN A 7 3.021 -2.800 -15.222 1.00 0.00 N ATOM 103 CA GLN A 7 2.670 -1.354 -15.060 1.00 0.00 C ATOM 104 C GLN A 7 1.173 -1.080 -15.170 1.00 0.00 C ATOM 105 O GLN A 7 0.417 -1.844 -15.740 1.00 0.00 O ATOM 106 CB GLN A 7 3.407 -0.528 -16.128 1.00 0.00 C ATOM 107 CG GLN A 7 4.891 -0.407 -15.743 1.00 0.00 C ATOM 108 CD GLN A 7 5.709 0.299 -16.841 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.144 0.725 -17.942 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 6.902 0.475 -16.701 1.00 0.00 N flip ATOM 0 H GLN A 7 2.703 -3.226 -16.092 1.00 0.00 H new ATOM 0 HA GLN A 7 2.978 -1.067 -14.054 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.310 -1.005 -17.103 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.959 0.462 -16.211 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.981 0.148 -14.809 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.303 -1.400 -15.564 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.369 0.153 -15.853 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.437 0.944 -17.431 1.00 0.00 H new ATOM 119 N TYR A 8 0.827 0.043 -14.590 1.00 0.00 N ATOM 120 CA TYR A 8 -0.588 0.496 -14.498 1.00 0.00 C ATOM 121 C TYR A 8 -0.603 2.012 -14.734 1.00 0.00 C ATOM 122 O TYR A 8 0.038 2.756 -14.014 1.00 0.00 O ATOM 123 CB TYR A 8 -1.137 0.169 -13.089 1.00 0.00 C ATOM 124 CG TYR A 8 -1.220 -1.353 -12.908 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.078 -2.091 -12.655 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.431 -2.010 -13.009 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.144 -3.456 -12.505 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.495 -3.378 -12.856 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.354 -4.114 -12.606 1.00 0.00 C ATOM 130 OH TYR A 8 -1.430 -5.485 -12.460 1.00 0.00 O ATOM 0 H TYR A 8 1.495 0.684 -14.163 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.211 -0.007 -15.238 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.489 0.601 -12.326 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.123 0.615 -12.960 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.875 -1.590 -12.574 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.332 -1.449 -13.209 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.757 -4.018 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.448 -3.880 -12.932 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.361 -5.774 -12.561 1.00 0.00 H new ATOM 140 N ARG A 9 -1.333 2.419 -15.741 1.00 0.00 N ATOM 141 CA ARG A 9 -1.428 3.873 -16.071 1.00 0.00 C ATOM 142 C ARG A 9 -2.605 4.468 -15.290 1.00 0.00 C ATOM 143 O ARG A 9 -3.717 3.984 -15.380 1.00 0.00 O ATOM 144 CB ARG A 9 -1.651 4.019 -17.588 1.00 0.00 C ATOM 145 CG ARG A 9 -1.794 5.512 -17.970 1.00 0.00 C ATOM 146 CD ARG A 9 -1.252 5.728 -19.393 1.00 0.00 C ATOM 147 NE ARG A 9 -1.563 7.131 -19.808 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.530 7.360 -20.655 1.00 0.00 C ATOM 149 NH1 ARG A 9 -3.766 7.296 -20.240 1.00 0.00 N ATOM 150 NH2 ARG A 9 -2.231 7.647 -21.892 1.00 0.00 N ATOM 0 H ARG A 9 -1.870 1.803 -16.352 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.514 4.401 -15.797 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.815 3.577 -18.129 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.547 3.474 -17.885 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.840 5.814 -17.917 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.247 6.134 -17.262 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.176 5.554 -19.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.707 5.018 -20.084 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.021 7.908 -19.430 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.966 7.070 -19.266 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.532 7.472 -20.890 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.255 7.690 -22.184 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.974 7.829 -22.567 1.00 0.00 H new ATOM 164 N ALA A 10 -2.309 5.502 -14.543 1.00 0.00 N ATOM 165 CA ALA A 10 -3.395 6.286 -13.871 1.00 0.00 C ATOM 166 C ALA A 10 -4.360 6.879 -14.909 1.00 0.00 C ATOM 167 O ALA A 10 -3.937 7.540 -15.839 1.00 0.00 O ATOM 168 CB ALA A 10 -2.764 7.420 -13.039 1.00 0.00 C ATOM 0 H ALA A 10 -1.362 5.839 -14.368 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.959 5.619 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.551 7.993 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.102 6.993 -12.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.192 8.077 -13.694 1.00 0.00 H new ATOM 174 N LEU A 11 -5.630 6.619 -14.710 1.00 0.00 N ATOM 175 CA LEU A 11 -6.673 7.124 -15.657 1.00 0.00 C ATOM 176 C LEU A 11 -7.201 8.479 -15.164 1.00 0.00 C ATOM 177 O LEU A 11 -6.956 9.495 -15.787 1.00 0.00 O ATOM 178 CB LEU A 11 -7.825 6.083 -15.734 1.00 0.00 C ATOM 179 CG LEU A 11 -8.437 6.095 -17.166 1.00 0.00 C ATOM 180 CD1 LEU A 11 -7.583 5.193 -18.110 1.00 0.00 C ATOM 181 CD2 LEU A 11 -9.912 5.600 -17.121 1.00 0.00 C ATOM 0 H LEU A 11 -5.991 6.075 -13.926 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.247 7.261 -16.651 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.448 5.088 -15.496 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.592 6.318 -14.996 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.429 7.114 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.014 5.204 -19.111 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.562 5.573 -18.150 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.576 4.172 -17.729 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.331 5.612 -18.127 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.943 4.584 -16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.497 6.257 -16.477 1.00 0.00 H new ATOM 193 N TYR A 12 -7.905 8.448 -14.060 1.00 0.00 N ATOM 194 CA TYR A 12 -8.490 9.694 -13.476 1.00 0.00 C ATOM 195 C TYR A 12 -7.585 10.214 -12.358 1.00 0.00 C ATOM 196 O TYR A 12 -6.988 9.442 -11.633 1.00 0.00 O ATOM 197 CB TYR A 12 -9.895 9.365 -12.924 1.00 0.00 C ATOM 198 CG TYR A 12 -10.955 9.846 -13.924 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.208 9.130 -15.078 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.669 11.004 -13.683 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.159 9.566 -15.977 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.620 11.440 -14.581 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.871 10.723 -15.735 1.00 0.00 C ATOM 204 OH TYR A 12 -13.822 11.156 -16.636 1.00 0.00 O ATOM 0 H TYR A 12 -8.102 7.599 -13.531 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.571 10.467 -14.240 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.992 8.292 -12.760 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.042 9.849 -11.959 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.657 8.223 -15.278 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.481 11.572 -12.784 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.348 8.998 -16.876 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -13.172 12.347 -14.381 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.228 11.986 -16.309 1.00 0.00 H new ATOM 214 N ASP A 13 -7.515 11.518 -12.263 1.00 0.00 N ATOM 215 CA ASP A 13 -6.784 12.169 -11.132 1.00 0.00 C ATOM 216 C ASP A 13 -7.433 11.805 -9.785 1.00 0.00 C ATOM 217 O ASP A 13 -8.630 11.939 -9.616 1.00 0.00 O ATOM 218 CB ASP A 13 -6.808 13.703 -11.353 1.00 0.00 C ATOM 219 CG ASP A 13 -6.494 14.430 -10.026 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.331 14.408 -9.658 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.437 14.959 -9.457 1.00 0.00 O ATOM 0 H ASP A 13 -7.937 12.166 -12.928 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.753 11.815 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.077 13.981 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.786 14.011 -11.724 1.00 0.00 H new ATOM 226 N TYR A 14 -6.601 11.359 -8.879 1.00 0.00 N ATOM 227 CA TYR A 14 -7.034 11.042 -7.482 1.00 0.00 C ATOM 228 C TYR A 14 -6.080 11.732 -6.499 1.00 0.00 C ATOM 229 O TYR A 14 -4.877 11.661 -6.659 1.00 0.00 O ATOM 230 CB TYR A 14 -7.002 9.508 -7.332 1.00 0.00 C ATOM 231 CG TYR A 14 -6.985 9.032 -5.864 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.157 8.865 -5.151 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.784 8.746 -5.243 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.124 8.421 -3.845 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.750 8.301 -3.940 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.921 8.135 -3.229 1.00 0.00 C ATOM 237 OH TYR A 14 -6.888 7.685 -1.924 1.00 0.00 O ATOM 0 H TYR A 14 -5.609 11.196 -9.055 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.041 11.402 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.872 9.084 -7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.120 9.120 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.105 9.084 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.860 8.873 -5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.047 8.296 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.802 8.081 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.147 7.053 -1.814 1.00 0.00 H new ATOM 247 N LYS A 15 -6.650 12.375 -5.511 1.00 0.00 N ATOM 248 CA LYS A 15 -5.859 12.932 -4.384 1.00 0.00 C ATOM 249 C LYS A 15 -5.732 11.886 -3.265 1.00 0.00 C ATOM 250 O LYS A 15 -6.568 11.015 -3.127 1.00 0.00 O ATOM 251 CB LYS A 15 -6.597 14.184 -3.907 1.00 0.00 C ATOM 252 CG LYS A 15 -5.653 15.092 -3.118 1.00 0.00 C ATOM 253 CD LYS A 15 -4.858 16.027 -4.070 1.00 0.00 C ATOM 254 CE LYS A 15 -5.558 17.393 -4.171 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.855 18.255 -5.165 1.00 0.00 N ATOM 0 H LYS A 15 -7.655 12.538 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.845 13.190 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.000 14.724 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.444 13.899 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.225 15.690 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.960 14.485 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.841 16.157 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.782 15.574 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.598 17.257 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.565 17.880 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.335 19.176 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.869 18.397 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.870 17.794 -6.097 1.00 0.00 H new ATOM 269 N LYS A 16 -4.682 12.024 -2.499 1.00 0.00 N ATOM 270 CA LYS A 16 -4.385 11.047 -1.400 1.00 0.00 C ATOM 271 C LYS A 16 -5.064 11.499 -0.101 1.00 0.00 C ATOM 272 O LYS A 16 -5.119 12.678 0.194 1.00 0.00 O ATOM 273 CB LYS A 16 -2.856 10.971 -1.172 1.00 0.00 C ATOM 274 CG LYS A 16 -2.203 12.379 -1.302 1.00 0.00 C ATOM 275 CD LYS A 16 -1.041 12.543 -0.298 1.00 0.00 C ATOM 276 CE LYS A 16 -1.575 12.983 1.083 1.00 0.00 C ATOM 277 NZ LYS A 16 -2.049 14.398 1.034 1.00 0.00 N ATOM 0 H LYS A 16 -4.005 12.782 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.765 10.066 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.652 10.561 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.410 10.291 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.834 12.521 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.953 13.150 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.500 11.601 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.331 13.281 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.393 12.330 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.790 12.882 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.083 14.786 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.395 14.963 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.000 14.431 0.614 1.00 0.00 H new ATOM 291 N GLU A 17 -5.557 10.535 0.632 1.00 0.00 N ATOM 292 CA GLU A 17 -6.336 10.841 1.874 1.00 0.00 C ATOM 293 C GLU A 17 -5.407 10.931 3.086 1.00 0.00 C ATOM 294 O GLU A 17 -5.665 11.656 4.028 1.00 0.00 O ATOM 295 CB GLU A 17 -7.372 9.739 2.095 1.00 0.00 C ATOM 296 CG GLU A 17 -8.768 10.360 1.990 1.00 0.00 C ATOM 297 CD GLU A 17 -9.056 11.234 3.227 1.00 0.00 C ATOM 298 OE1 GLU A 17 -9.323 10.645 4.263 1.00 0.00 O ATOM 299 OE2 GLU A 17 -8.992 12.442 3.064 1.00 0.00 O ATOM 0 H GLU A 17 -5.454 9.542 0.424 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.835 11.803 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.251 8.950 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.234 9.279 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.839 10.963 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.519 9.574 1.908 1.00 0.00 H new ATOM 306 N ARG A 18 -4.354 10.169 2.997 1.00 0.00 N ATOM 307 CA ARG A 18 -3.372 10.043 4.118 1.00 0.00 C ATOM 308 C ARG A 18 -1.971 9.748 3.573 1.00 0.00 C ATOM 309 O ARG A 18 -1.783 9.588 2.382 1.00 0.00 O ATOM 310 CB ARG A 18 -3.828 8.905 5.060 1.00 0.00 C ATOM 311 CG ARG A 18 -4.261 7.670 4.241 1.00 0.00 C ATOM 312 CD ARG A 18 -4.586 6.521 5.202 1.00 0.00 C ATOM 313 NE ARG A 18 -5.357 5.487 4.449 1.00 0.00 N ATOM 314 CZ ARG A 18 -6.657 5.432 4.556 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.186 4.956 5.649 1.00 0.00 N ATOM 316 NH2 ARG A 18 -7.386 5.857 3.561 1.00 0.00 N ATOM 0 H ARG A 18 -4.124 9.612 2.174 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.331 10.982 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.016 8.635 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.657 9.247 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.133 7.909 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.466 7.375 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.669 6.092 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.167 6.886 6.049 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.867 4.823 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.585 4.632 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.200 4.907 5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.938 6.223 2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.404 5.823 3.623 1.00 0.00 H new ATOM 330 N GLU A 19 -1.033 9.684 4.484 1.00 0.00 N ATOM 331 CA GLU A 19 0.373 9.306 4.132 1.00 0.00 C ATOM 332 C GLU A 19 0.493 7.923 3.470 1.00 0.00 C ATOM 333 O GLU A 19 1.491 7.623 2.842 1.00 0.00 O ATOM 334 CB GLU A 19 1.232 9.343 5.416 1.00 0.00 C ATOM 335 CG GLU A 19 0.616 8.435 6.506 1.00 0.00 C ATOM 336 CD GLU A 19 1.571 8.369 7.713 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.549 9.323 8.476 1.00 0.00 O ATOM 338 OE2 GLU A 19 2.268 7.370 7.806 1.00 0.00 O ATOM 0 H GLU A 19 -1.183 9.881 5.474 1.00 0.00 H new ATOM 0 HA GLU A 19 0.726 10.028 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.247 9.014 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.303 10.367 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.353 8.825 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.445 7.435 6.108 1.00 0.00 H new ATOM 345 N GLU A 20 -0.529 7.125 3.637 1.00 0.00 N ATOM 346 CA GLU A 20 -0.533 5.748 3.046 1.00 0.00 C ATOM 347 C GLU A 20 -0.628 5.803 1.516 1.00 0.00 C ATOM 348 O GLU A 20 -0.059 4.977 0.829 1.00 0.00 O ATOM 349 CB GLU A 20 -1.728 4.966 3.608 1.00 0.00 C ATOM 350 CG GLU A 20 -1.529 3.448 3.366 1.00 0.00 C ATOM 351 CD GLU A 20 -2.793 2.636 3.749 1.00 0.00 C ATOM 352 OE1 GLU A 20 -3.627 3.141 4.488 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.853 1.517 3.263 1.00 0.00 O ATOM 0 H GLU A 20 -1.369 7.368 4.162 1.00 0.00 H new ATOM 0 HA GLU A 20 0.401 5.252 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.832 5.162 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.649 5.301 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.289 3.275 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.679 3.095 3.950 1.00 0.00 H new ATOM 360 N ASP A 21 -1.353 6.785 1.043 1.00 0.00 N ATOM 361 CA ASP A 21 -1.527 6.989 -0.428 1.00 0.00 C ATOM 362 C ASP A 21 -0.709 8.202 -0.873 1.00 0.00 C ATOM 363 O ASP A 21 -0.456 9.097 -0.090 1.00 0.00 O ATOM 364 CB ASP A 21 -3.029 7.203 -0.703 1.00 0.00 C ATOM 365 CG ASP A 21 -3.713 5.846 -0.979 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.531 4.955 -0.159 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.383 5.772 -1.997 1.00 0.00 O ATOM 0 H ASP A 21 -1.840 7.466 1.625 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.175 6.123 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.498 7.689 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.160 7.866 -1.558 1.00 0.00 H new ATOM 372 N ILE A 22 -0.324 8.181 -2.123 1.00 0.00 N ATOM 373 CA ILE A 22 0.394 9.345 -2.737 1.00 0.00 C ATOM 374 C ILE A 22 -0.491 10.032 -3.781 1.00 0.00 C ATOM 375 O ILE A 22 -1.557 9.554 -4.116 1.00 0.00 O ATOM 376 CB ILE A 22 1.703 8.845 -3.413 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.413 7.566 -4.265 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.769 8.539 -2.328 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.276 7.569 -5.540 1.00 0.00 C ATOM 0 H ILE A 22 -0.478 7.396 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 22 0.633 10.065 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 22 2.084 9.623 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.624 6.673 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.357 7.530 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.684 8.189 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.980 9.445 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.393 7.768 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.065 6.673 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.044 8.453 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.331 7.583 -5.265 1.00 0.00 H new ATOM 391 N ASP A 23 0.004 11.144 -4.264 1.00 0.00 N ATOM 392 CA ASP A 23 -0.774 11.970 -5.234 1.00 0.00 C ATOM 393 C ASP A 23 -0.782 11.272 -6.596 1.00 0.00 C ATOM 394 O ASP A 23 0.249 10.832 -7.068 1.00 0.00 O ATOM 395 CB ASP A 23 -0.115 13.348 -5.348 1.00 0.00 C ATOM 396 CG ASP A 23 -0.271 14.070 -3.999 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.310 14.688 -3.833 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.653 13.960 -3.210 1.00 0.00 O ATOM 0 H ASP A 23 0.923 11.517 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.802 12.089 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.940 13.245 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.581 13.927 -6.145 1.00 0.00 H new ATOM 403 N LEU A 24 -1.953 11.197 -7.173 1.00 0.00 N ATOM 404 CA LEU A 24 -2.111 10.546 -8.507 1.00 0.00 C ATOM 405 C LEU A 24 -2.696 11.542 -9.504 1.00 0.00 C ATOM 406 O LEU A 24 -3.720 12.145 -9.257 1.00 0.00 O ATOM 407 CB LEU A 24 -3.051 9.327 -8.380 1.00 0.00 C ATOM 408 CG LEU A 24 -2.479 8.291 -7.371 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.475 7.098 -7.232 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.091 7.769 -7.841 1.00 0.00 C ATOM 0 H LEU A 24 -2.816 11.563 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.135 10.216 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.037 9.655 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.180 8.858 -9.356 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.351 8.778 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.075 6.371 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.435 7.466 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.611 6.623 -8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.711 7.046 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.193 7.291 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.395 8.604 -7.918 1.00 0.00 H new ATOM 422 N HIS A 25 -2.009 11.670 -10.606 1.00 0.00 N ATOM 423 CA HIS A 25 -2.432 12.618 -11.685 1.00 0.00 C ATOM 424 C HIS A 25 -2.367 11.881 -13.025 1.00 0.00 C ATOM 425 O HIS A 25 -1.894 10.763 -13.092 1.00 0.00 O ATOM 426 CB HIS A 25 -1.494 13.869 -11.717 1.00 0.00 C ATOM 427 CG HIS A 25 -0.282 13.746 -10.794 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.283 13.382 -9.550 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.045 13.990 -11.077 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.931 13.396 -9.094 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.790 13.769 -10.013 1.00 0.00 N ATOM 0 H HIS A 25 -1.156 11.149 -10.811 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.448 12.964 -11.493 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.148 14.028 -12.738 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.068 14.751 -11.434 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.421 14.316 -12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.202 13.133 -8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.802 13.866 -9.924 1.00 0.00 H new ATOM 439 N LEU A 26 -2.846 12.518 -14.063 1.00 0.00 N ATOM 440 CA LEU A 26 -2.783 11.883 -15.415 1.00 0.00 C ATOM 441 C LEU A 26 -1.325 11.697 -15.843 1.00 0.00 C ATOM 442 O LEU A 26 -0.455 12.449 -15.446 1.00 0.00 O ATOM 443 CB LEU A 26 -3.524 12.780 -16.427 1.00 0.00 C ATOM 444 CG LEU A 26 -5.014 12.974 -15.983 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.231 14.415 -15.433 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.983 12.685 -17.167 1.00 0.00 C ATOM 0 H LEU A 26 -3.275 13.443 -14.034 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.259 10.903 -15.380 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.028 13.748 -16.498 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.487 12.330 -17.419 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.232 12.263 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.271 14.535 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.580 14.579 -14.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.995 15.141 -16.211 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.012 12.825 -16.837 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.768 13.369 -17.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.847 11.658 -17.506 1.00 0.00 H new ATOM 458 N GLY A 27 -1.101 10.689 -16.645 1.00 0.00 N ATOM 459 CA GLY A 27 0.275 10.415 -17.157 1.00 0.00 C ATOM 460 C GLY A 27 1.177 9.746 -16.118 1.00 0.00 C ATOM 461 O GLY A 27 2.230 9.235 -16.456 1.00 0.00 O ATOM 0 H GLY A 27 -1.817 10.039 -16.970 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.209 9.776 -18.038 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.731 11.352 -17.477 1.00 0.00 H new ATOM 465 N ASP A 28 0.736 9.768 -14.887 1.00 0.00 N ATOM 466 CA ASP A 28 1.460 9.021 -13.808 1.00 0.00 C ATOM 467 C ASP A 28 1.490 7.529 -14.156 1.00 0.00 C ATOM 468 O ASP A 28 0.455 6.903 -14.269 1.00 0.00 O ATOM 469 CB ASP A 28 0.733 9.229 -12.461 1.00 0.00 C ATOM 470 CG ASP A 28 0.900 10.680 -11.968 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.730 11.579 -12.778 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.191 10.805 -10.791 1.00 0.00 O ATOM 0 H ASP A 28 -0.096 10.271 -14.579 1.00 0.00 H new ATOM 0 HA ASP A 28 2.481 9.393 -13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.326 8.998 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.131 8.539 -11.717 1.00 0.00 H new ATOM 477 N ILE A 29 2.677 7.004 -14.322 1.00 0.00 N ATOM 478 CA ILE A 29 2.831 5.521 -14.461 1.00 0.00 C ATOM 479 C ILE A 29 3.184 4.919 -13.098 1.00 0.00 C ATOM 480 O ILE A 29 3.790 5.555 -12.255 1.00 0.00 O ATOM 481 CB ILE A 29 3.952 5.257 -15.556 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.441 4.182 -16.557 1.00 0.00 C ATOM 483 CG2 ILE A 29 5.367 4.842 -14.998 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.427 4.814 -17.540 1.00 0.00 C ATOM 0 H ILE A 29 3.546 7.536 -14.367 1.00 0.00 H new ATOM 0 HA ILE A 29 1.907 5.043 -14.787 1.00 0.00 H new ATOM 0 HB ILE A 29 4.118 6.218 -16.043 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.280 3.759 -17.109 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.971 3.362 -16.014 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.055 4.687 -15.829 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.750 5.633 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.276 3.919 -14.425 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.074 4.054 -18.237 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.581 5.215 -16.982 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.910 5.619 -18.094 1.00 0.00 H new ATOM 496 N LEU A 30 2.779 3.692 -12.932 1.00 0.00 N ATOM 497 CA LEU A 30 3.079 2.928 -11.685 1.00 0.00 C ATOM 498 C LEU A 30 3.717 1.590 -12.079 1.00 0.00 C ATOM 499 O LEU A 30 3.438 1.079 -13.145 1.00 0.00 O ATOM 500 CB LEU A 30 1.755 2.695 -10.919 1.00 0.00 C ATOM 501 CG LEU A 30 1.378 3.949 -10.064 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.786 5.074 -10.971 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.336 3.532 -8.997 1.00 0.00 C ATOM 0 H LEU A 30 2.239 3.172 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 30 3.768 3.477 -11.043 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.954 2.478 -11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.853 1.824 -10.271 1.00 0.00 H new ATOM 0 HG LEU A 30 2.274 4.337 -9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.530 5.938 -10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.524 5.365 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.110 4.705 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.065 4.399 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.554 3.141 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.762 2.762 -8.354 1.00 0.00 H new ATOM 515 N THR A 31 4.553 1.067 -11.216 1.00 0.00 N ATOM 516 CA THR A 31 5.257 -0.230 -11.495 1.00 0.00 C ATOM 517 C THR A 31 5.141 -1.151 -10.266 1.00 0.00 C ATOM 518 O THR A 31 5.117 -0.663 -9.154 1.00 0.00 O ATOM 519 CB THR A 31 6.738 0.086 -11.806 1.00 0.00 C ATOM 520 OG1 THR A 31 6.715 0.839 -13.014 1.00 0.00 O ATOM 521 CG2 THR A 31 7.535 -1.191 -12.166 1.00 0.00 C ATOM 0 H THR A 31 4.783 1.488 -10.316 1.00 0.00 H new ATOM 0 HA THR A 31 4.807 -0.741 -12.346 1.00 0.00 H new ATOM 0 HB THR A 31 7.188 0.577 -10.943 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.437 1.501 -13.000 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.571 -0.926 -12.378 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.503 -1.888 -11.329 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.093 -1.660 -13.046 1.00 0.00 H new ATOM 529 N VAL A 32 5.069 -2.441 -10.493 1.00 0.00 N ATOM 530 CA VAL A 32 4.937 -3.427 -9.365 1.00 0.00 C ATOM 531 C VAL A 32 6.123 -4.406 -9.417 1.00 0.00 C ATOM 532 O VAL A 32 7.209 -4.033 -9.816 1.00 0.00 O ATOM 533 CB VAL A 32 3.565 -4.216 -9.494 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.083 -4.660 -8.070 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.480 -3.335 -10.155 1.00 0.00 C ATOM 0 H VAL A 32 5.096 -2.861 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 32 4.943 -2.900 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 32 3.727 -5.092 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.141 -5.202 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.834 -5.308 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.938 -3.780 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.550 -3.899 -10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.315 -2.444 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.808 -3.040 -11.152 1.00 0.00 H new ATOM 545 N ASN A 33 5.877 -5.624 -9.012 1.00 0.00 N ATOM 546 CA ASN A 33 6.909 -6.701 -9.073 1.00 0.00 C ATOM 547 C ASN A 33 6.979 -7.348 -10.472 1.00 0.00 C ATOM 548 O ASN A 33 6.378 -6.873 -11.415 1.00 0.00 O ATOM 549 CB ASN A 33 6.552 -7.744 -7.988 1.00 0.00 C ATOM 550 CG ASN A 33 5.234 -8.433 -8.354 1.00 0.00 C ATOM 551 OD1 ASN A 33 4.164 -7.864 -8.271 1.00 0.00 O ATOM 552 ND2 ASN A 33 5.281 -9.667 -8.764 1.00 0.00 N ATOM 0 H ASN A 33 4.980 -5.925 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 33 7.898 -6.281 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.349 -8.483 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.463 -7.258 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.421 -10.154 -9.015 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.178 -10.147 -8.835 1.00 0.00 H new ATOM 737 N GLU A 47 -2.879 -10.172 -12.444 1.00 0.00 N ATOM 738 CA GLU A 47 -2.270 -8.876 -12.901 1.00 0.00 C ATOM 739 C GLU A 47 -2.738 -8.364 -14.277 1.00 0.00 C ATOM 740 O GLU A 47 -1.964 -8.093 -15.173 1.00 0.00 O ATOM 741 CB GLU A 47 -0.737 -9.047 -12.884 1.00 0.00 C ATOM 742 CG GLU A 47 -0.261 -10.173 -13.828 1.00 0.00 C ATOM 743 CD GLU A 47 0.183 -11.380 -12.979 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.321 -11.334 -12.539 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.635 -12.270 -12.816 1.00 0.00 O ATOM 0 HA GLU A 47 -2.612 -8.107 -12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.266 -8.108 -13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.410 -9.266 -11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.065 -10.463 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.565 -9.823 -14.447 1.00 0.00 H new ATOM 752 N ALA A 48 -4.030 -8.247 -14.393 1.00 0.00 N ATOM 753 CA ALA A 48 -4.655 -7.800 -15.678 1.00 0.00 C ATOM 754 C ALA A 48 -6.073 -7.269 -15.444 1.00 0.00 C ATOM 755 O ALA A 48 -6.576 -6.511 -16.251 1.00 0.00 O ATOM 756 CB ALA A 48 -4.695 -8.994 -16.662 1.00 0.00 C ATOM 0 H ALA A 48 -4.693 -8.444 -13.643 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.058 -6.991 -16.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.149 -8.677 -17.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.680 -9.345 -16.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.284 -9.803 -16.229 1.00 0.00 H new ATOM 762 N LYS A 49 -6.669 -7.686 -14.352 1.00 0.00 N ATOM 763 CA LYS A 49 -8.045 -7.226 -13.985 1.00 0.00 C ATOM 764 C LYS A 49 -8.020 -6.423 -12.665 1.00 0.00 C ATOM 765 O LYS A 49 -8.306 -6.970 -11.618 1.00 0.00 O ATOM 766 CB LYS A 49 -8.936 -8.461 -13.844 1.00 0.00 C ATOM 767 CG LYS A 49 -9.221 -9.029 -15.244 1.00 0.00 C ATOM 768 CD LYS A 49 -9.778 -10.449 -15.092 1.00 0.00 C ATOM 769 CE LYS A 49 -10.909 -10.696 -16.108 1.00 0.00 C ATOM 770 NZ LYS A 49 -12.057 -9.782 -15.838 1.00 0.00 N ATOM 0 H LYS A 49 -6.251 -8.338 -13.688 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.436 -6.567 -14.761 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.445 -9.212 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.869 -8.198 -13.346 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.936 -8.397 -15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.308 -9.042 -15.840 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.981 -11.177 -15.242 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.154 -10.592 -14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.539 -10.536 -17.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.240 -11.733 -16.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.946 -10.255 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.077 -9.539 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.949 -8.914 -16.401 1.00 0.00 H new ATOM 784 N PRO A 50 -7.682 -5.151 -12.727 1.00 0.00 N ATOM 785 CA PRO A 50 -7.731 -4.254 -11.539 1.00 0.00 C ATOM 786 C PRO A 50 -9.138 -4.152 -10.909 1.00 0.00 C ATOM 787 O PRO A 50 -9.292 -3.587 -9.842 1.00 0.00 O ATOM 788 CB PRO A 50 -7.226 -2.889 -12.028 1.00 0.00 C ATOM 789 CG PRO A 50 -6.858 -3.037 -13.528 1.00 0.00 C ATOM 790 CD PRO A 50 -7.217 -4.467 -13.962 1.00 0.00 C ATOM 0 HA PRO A 50 -7.110 -4.653 -10.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.993 -2.126 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.358 -2.572 -11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.402 -2.308 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.796 -2.847 -13.681 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.996 -4.462 -14.725 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.354 -4.975 -14.391 1.00 0.00 H new ATOM 798 N GLU A 51 -10.113 -4.706 -11.590 1.00 0.00 N ATOM 799 CA GLU A 51 -11.529 -4.671 -11.107 1.00 0.00 C ATOM 800 C GLU A 51 -11.720 -5.563 -9.872 1.00 0.00 C ATOM 801 O GLU A 51 -12.458 -5.213 -8.972 1.00 0.00 O ATOM 802 CB GLU A 51 -12.465 -5.156 -12.237 1.00 0.00 C ATOM 803 CG GLU A 51 -12.880 -3.971 -13.146 1.00 0.00 C ATOM 804 CD GLU A 51 -14.017 -3.109 -12.534 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.309 -3.246 -11.353 1.00 0.00 O ATOM 806 OE2 GLU A 51 -14.550 -2.335 -13.312 1.00 0.00 O ATOM 0 H GLU A 51 -9.983 -5.190 -12.478 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.770 -3.645 -10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.962 -5.919 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.353 -5.620 -11.807 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.011 -3.339 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.204 -4.357 -14.112 1.00 0.00 H new ATOM 813 N GLU A 52 -11.049 -6.689 -9.872 1.00 0.00 N ATOM 814 CA GLU A 52 -11.183 -7.668 -8.742 1.00 0.00 C ATOM 815 C GLU A 52 -10.157 -7.374 -7.644 1.00 0.00 C ATOM 816 O GLU A 52 -10.388 -7.672 -6.488 1.00 0.00 O ATOM 817 CB GLU A 52 -10.975 -9.112 -9.275 1.00 0.00 C ATOM 818 CG GLU A 52 -9.830 -9.146 -10.306 1.00 0.00 C ATOM 819 CD GLU A 52 -9.413 -10.594 -10.618 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.021 -11.157 -11.517 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.507 -11.063 -9.946 1.00 0.00 O ATOM 0 H GLU A 52 -10.408 -6.976 -10.612 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.183 -7.572 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.747 -9.783 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.896 -9.473 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.147 -8.649 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.974 -8.592 -9.922 1.00 0.00 H new ATOM 828 N ILE A 53 -9.054 -6.797 -8.042 1.00 0.00 N ATOM 829 CA ILE A 53 -7.979 -6.463 -7.059 1.00 0.00 C ATOM 830 C ILE A 53 -8.390 -5.214 -6.273 1.00 0.00 C ATOM 831 O ILE A 53 -8.951 -4.290 -6.831 1.00 0.00 O ATOM 832 CB ILE A 53 -6.652 -6.191 -7.806 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.417 -7.273 -8.901 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.483 -6.226 -6.783 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.158 -6.949 -9.720 1.00 0.00 C ATOM 0 H ILE A 53 -8.850 -6.542 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.838 -7.300 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.702 -5.213 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.312 -8.253 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.283 -7.325 -9.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.542 -6.035 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.642 -5.461 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.444 -7.206 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.011 -7.716 -10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.277 -5.979 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.291 -6.921 -9.059 1.00 0.00 H new ATOM 847 N GLY A 54 -8.090 -5.234 -4.999 1.00 0.00 N ATOM 848 CA GLY A 54 -8.519 -4.118 -4.105 1.00 0.00 C ATOM 849 C GLY A 54 -7.442 -3.039 -4.083 1.00 0.00 C ATOM 850 O GLY A 54 -7.431 -2.139 -4.900 1.00 0.00 O ATOM 0 H GLY A 54 -7.565 -5.978 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.462 -3.698 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.694 -4.493 -3.096 1.00 0.00 H new ATOM 854 N TRP A 55 -6.570 -3.189 -3.127 1.00 0.00 N ATOM 855 CA TRP A 55 -5.449 -2.221 -2.939 1.00 0.00 C ATOM 856 C TRP A 55 -4.183 -2.777 -3.582 1.00 0.00 C ATOM 857 O TRP A 55 -3.744 -3.861 -3.256 1.00 0.00 O ATOM 858 CB TRP A 55 -5.246 -2.001 -1.435 1.00 0.00 C ATOM 859 CG TRP A 55 -6.257 -0.946 -0.988 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.427 -1.196 -0.341 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.135 0.389 -1.177 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.937 0.006 -0.188 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.239 1.027 -0.656 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.132 1.125 -1.777 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.343 2.402 -0.734 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.237 2.494 -1.850 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.339 3.134 -1.329 1.00 0.00 C ATOM 0 H TRP A 55 -6.585 -3.955 -2.454 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.681 -1.268 -3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.395 -2.932 -0.887 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.228 -1.669 -1.229 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.836 -2.146 -0.030 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.836 0.146 0.274 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.267 0.626 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.210 2.903 -0.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.452 3.070 -2.318 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.416 4.210 -1.387 1.00 0.00 H new ATOM 878 N LEU A 56 -3.639 -2.003 -4.484 1.00 0.00 N ATOM 879 CA LEU A 56 -2.328 -2.351 -5.104 1.00 0.00 C ATOM 880 C LEU A 56 -1.238 -1.531 -4.412 1.00 0.00 C ATOM 881 O LEU A 56 -1.528 -0.567 -3.729 1.00 0.00 O ATOM 882 CB LEU A 56 -2.368 -2.012 -6.599 1.00 0.00 C ATOM 883 CG LEU A 56 -3.475 -2.830 -7.333 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.764 -1.980 -7.461 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.989 -3.279 -8.748 1.00 0.00 C ATOM 0 H LEU A 56 -4.053 -1.134 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.121 -3.415 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.554 -0.946 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.398 -2.223 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.689 -3.722 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.532 -2.559 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.120 -1.706 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.549 -1.076 -8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.778 -3.848 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.748 -2.400 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.101 -3.903 -8.647 1.00 0.00 H new ATOM 897 N ASN A 57 -0.020 -1.954 -4.618 1.00 0.00 N ATOM 898 CA ASN A 57 1.159 -1.209 -4.092 1.00 0.00 C ATOM 899 C ASN A 57 2.225 -1.185 -5.192 1.00 0.00 C ATOM 900 O ASN A 57 2.593 -2.221 -5.715 1.00 0.00 O ATOM 901 CB ASN A 57 1.679 -1.939 -2.841 1.00 0.00 C ATOM 902 CG ASN A 57 2.640 -1.051 -2.035 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.989 0.123 -2.491 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.085 -1.426 -0.969 1.00 0.00 N flip ATOM 0 H ASN A 57 0.211 -2.800 -5.138 1.00 0.00 H new ATOM 0 HA ASN A 57 0.900 -0.187 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.838 -2.232 -2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.190 -2.855 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.822 -2.340 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.722 -0.827 -0.443 1.00 0.00 H new ATOM 911 N GLY A 58 2.685 -0.002 -5.508 1.00 0.00 N ATOM 912 CA GLY A 58 3.702 0.149 -6.595 1.00 0.00 C ATOM 913 C GLY A 58 4.511 1.438 -6.423 1.00 0.00 C ATOM 914 O GLY A 58 4.248 2.228 -5.537 1.00 0.00 O ATOM 0 H GLY A 58 2.400 0.869 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.374 -0.709 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.203 0.156 -7.564 1.00 0.00 H new ATOM 918 N TYR A 59 5.480 1.595 -7.291 1.00 0.00 N ATOM 919 CA TYR A 59 6.327 2.827 -7.304 1.00 0.00 C ATOM 920 C TYR A 59 5.836 3.788 -8.402 1.00 0.00 C ATOM 921 O TYR A 59 5.737 3.413 -9.554 1.00 0.00 O ATOM 922 CB TYR A 59 7.787 2.405 -7.568 1.00 0.00 C ATOM 923 CG TYR A 59 8.773 3.329 -6.840 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.876 4.665 -7.181 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.578 2.831 -5.833 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.768 5.487 -6.528 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.471 3.655 -5.181 1.00 0.00 C ATOM 928 CZ TYR A 59 10.571 4.987 -5.523 1.00 0.00 C ATOM 929 OH TYR A 59 11.466 5.810 -4.870 1.00 0.00 O ATOM 0 H TYR A 59 5.724 0.908 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 59 6.260 3.344 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.936 1.377 -7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.987 2.428 -8.639 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.252 5.067 -7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.507 1.790 -5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.839 6.529 -6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.096 3.254 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 59 11.949 5.294 -4.191 1.00 0.00 H new ATOM 939 N ASN A 60 5.549 4.997 -7.995 1.00 0.00 N ATOM 940 CA ASN A 60 5.191 6.084 -8.958 1.00 0.00 C ATOM 941 C ASN A 60 6.463 6.825 -9.407 1.00 0.00 C ATOM 942 O ASN A 60 6.825 7.854 -8.868 1.00 0.00 O ATOM 943 CB ASN A 60 4.202 7.023 -8.238 1.00 0.00 C ATOM 944 CG ASN A 60 3.613 8.076 -9.191 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.280 8.620 -10.048 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.355 8.399 -9.070 1.00 0.00 N ATOM 0 H ASN A 60 5.547 5.283 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 60 4.724 5.684 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.394 6.435 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.711 7.523 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.946 9.098 -9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.780 7.952 -8.356 1.00 0.00 H new ATOM 953 N GLU A 61 7.102 6.256 -10.400 1.00 0.00 N ATOM 954 CA GLU A 61 8.369 6.841 -10.954 1.00 0.00 C ATOM 955 C GLU A 61 8.151 8.292 -11.425 1.00 0.00 C ATOM 956 O GLU A 61 9.035 9.117 -11.307 1.00 0.00 O ATOM 957 CB GLU A 61 8.846 5.979 -12.140 1.00 0.00 C ATOM 958 CG GLU A 61 8.987 4.504 -11.705 1.00 0.00 C ATOM 959 CD GLU A 61 9.580 3.671 -12.860 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.798 3.616 -12.926 1.00 0.00 O ATOM 961 OE2 GLU A 61 8.781 3.135 -13.613 1.00 0.00 O ATOM 0 H GLU A 61 6.796 5.398 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 61 9.123 6.849 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.136 6.056 -12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.803 6.350 -12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.630 4.434 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.014 4.105 -11.420 1.00 0.00 H new ATOM 968 N THR A 62 6.973 8.547 -11.944 1.00 0.00 N ATOM 969 CA THR A 62 6.604 9.918 -12.430 1.00 0.00 C ATOM 970 C THR A 62 6.803 10.987 -11.338 1.00 0.00 C ATOM 971 O THR A 62 7.238 12.085 -11.627 1.00 0.00 O ATOM 972 CB THR A 62 5.124 9.885 -12.894 1.00 0.00 C ATOM 973 OG1 THR A 62 5.139 9.100 -14.080 1.00 0.00 O ATOM 974 CG2 THR A 62 4.609 11.274 -13.347 1.00 0.00 C ATOM 0 H THR A 62 6.237 7.850 -12.054 1.00 0.00 H new ATOM 0 HA THR A 62 7.258 10.190 -13.258 1.00 0.00 H new ATOM 0 HB THR A 62 4.500 9.523 -12.077 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.421 9.396 -14.678 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.568 11.192 -13.661 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.683 11.978 -12.518 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.212 11.631 -14.181 1.00 0.00 H new ATOM 982 N THR A 63 6.478 10.630 -10.123 1.00 0.00 N ATOM 983 CA THR A 63 6.671 11.555 -8.959 1.00 0.00 C ATOM 984 C THR A 63 7.949 11.219 -8.177 1.00 0.00 C ATOM 985 O THR A 63 8.300 11.922 -7.248 1.00 0.00 O ATOM 986 CB THR A 63 5.445 11.446 -8.033 1.00 0.00 C ATOM 987 OG1 THR A 63 5.305 10.062 -7.741 1.00 0.00 O ATOM 988 CG2 THR A 63 4.142 11.847 -8.770 1.00 0.00 C ATOM 0 H THR A 63 6.080 9.722 -9.881 1.00 0.00 H new ATOM 0 HA THR A 63 6.775 12.573 -9.334 1.00 0.00 H new ATOM 0 HB THR A 63 5.588 12.088 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.535 9.929 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.296 11.759 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.222 12.877 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.989 11.187 -9.624 1.00 0.00 H new ATOM 996 N GLY A 64 8.608 10.157 -8.573 1.00 0.00 N ATOM 997 CA GLY A 64 9.832 9.699 -7.842 1.00 0.00 C ATOM 998 C GLY A 64 9.490 9.250 -6.420 1.00 0.00 C ATOM 999 O GLY A 64 10.297 9.356 -5.518 1.00 0.00 O ATOM 0 H GLY A 64 8.349 9.584 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.296 8.876 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.561 10.508 -7.805 1.00 0.00 H new ATOM 1003 N GLU A 65 8.288 8.760 -6.274 1.00 0.00 N ATOM 1004 CA GLU A 65 7.763 8.362 -4.936 1.00 0.00 C ATOM 1005 C GLU A 65 7.045 7.020 -5.067 1.00 0.00 C ATOM 1006 O GLU A 65 6.827 6.545 -6.163 1.00 0.00 O ATOM 1007 CB GLU A 65 6.788 9.458 -4.442 1.00 0.00 C ATOM 1008 CG GLU A 65 7.500 10.373 -3.422 1.00 0.00 C ATOM 1009 CD GLU A 65 7.852 9.568 -2.155 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.913 9.180 -1.478 1.00 0.00 O ATOM 1011 OE2 GLU A 65 9.040 9.385 -1.934 1.00 0.00 O ATOM 0 H GLU A 65 7.634 8.616 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 65 8.574 8.257 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.432 10.048 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.913 8.998 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.406 10.789 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.857 11.214 -3.163 1.00 0.00 H new ATOM 1018 N ARG A 66 6.702 6.451 -3.940 1.00 0.00 N ATOM 1019 CA ARG A 66 6.033 5.114 -3.925 1.00 0.00 C ATOM 1020 C ARG A 66 4.882 5.138 -2.921 1.00 0.00 C ATOM 1021 O ARG A 66 4.927 5.865 -1.946 1.00 0.00 O ATOM 1022 CB ARG A 66 7.074 4.036 -3.534 1.00 0.00 C ATOM 1023 CG ARG A 66 7.632 4.310 -2.114 1.00 0.00 C ATOM 1024 CD ARG A 66 8.872 3.428 -1.859 1.00 0.00 C ATOM 1025 NE ARG A 66 9.599 3.956 -0.663 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.643 3.325 -0.188 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.571 2.903 -1.003 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.730 3.136 1.100 1.00 0.00 N ATOM 0 H ARG A 66 6.859 6.860 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 66 5.632 4.880 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.613 3.049 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.890 4.031 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.897 5.363 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.867 4.102 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.572 2.393 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.526 3.434 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 66 9.279 4.814 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.481 3.065 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.386 2.411 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.993 3.478 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.535 2.647 1.490 1.00 0.00 H new ATOM 1042 N GLY A 67 3.884 4.341 -3.196 1.00 0.00 N ATOM 1043 CA GLY A 67 2.792 4.144 -2.194 1.00 0.00 C ATOM 1044 C GLY A 67 1.716 3.184 -2.707 1.00 0.00 C ATOM 1045 O GLY A 67 1.924 2.456 -3.659 1.00 0.00 O ATOM 0 H GLY A 67 3.776 3.820 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.215 3.755 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.338 5.106 -1.958 1.00 0.00 H new ATOM 1049 N ASP A 68 0.587 3.226 -2.041 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.550 2.319 -2.395 1.00 0.00 C ATOM 1051 C ASP A 68 -1.648 3.122 -3.083 1.00 0.00 C ATOM 1052 O ASP A 68 -1.785 4.311 -2.870 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.094 1.676 -1.110 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.237 0.444 -0.795 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.868 0.661 -0.325 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.729 -0.644 -1.043 1.00 0.00 O ATOM 0 H ASP A 68 0.403 3.856 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.206 1.539 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.058 2.386 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.138 1.391 -1.239 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.398 2.424 -3.895 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.464 3.078 -4.706 1.00 0.00 C ATOM 1063 C PHE A 69 -4.597 2.068 -4.966 1.00 0.00 C ATOM 1064 O PHE A 69 -4.327 0.889 -5.093 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.854 3.563 -6.042 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.207 2.396 -6.816 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.980 1.886 -6.430 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.847 1.849 -7.910 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.404 0.847 -7.132 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.274 0.811 -8.614 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.052 0.309 -8.225 1.00 0.00 C ATOM 0 H PHE A 69 -2.315 1.417 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.874 3.934 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.630 4.022 -6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.106 4.332 -5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.470 2.304 -5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.806 2.238 -8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.555 0.455 -6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.783 0.392 -9.470 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.602 -0.504 -8.774 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.828 2.533 -5.036 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.975 1.659 -5.386 1.00 0.00 C ATOM 1083 C PRO A 70 -6.857 1.176 -6.838 1.00 0.00 C ATOM 1084 O PRO A 70 -6.301 1.875 -7.660 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.229 2.504 -5.160 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.758 3.952 -4.849 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.220 3.947 -4.786 1.00 0.00 C ATOM 0 HA PRO A 70 -7.007 0.758 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.868 2.489 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.818 2.105 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.106 4.640 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.177 4.295 -3.903 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.792 4.613 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.864 4.289 -3.814 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.380 0.003 -7.104 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.340 -0.558 -8.493 1.00 0.00 C ATOM 1097 C GLY A 71 -8.539 -0.096 -9.334 1.00 0.00 C ATOM 1098 O GLY A 71 -8.906 -0.754 -10.287 1.00 0.00 O ATOM 0 H GLY A 71 -7.836 -0.594 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.415 -0.252 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.329 -1.647 -8.444 1.00 0.00 H new ATOM 1102 N THR A 72 -9.120 1.017 -8.962 1.00 0.00 N ATOM 1103 CA THR A 72 -10.265 1.602 -9.715 1.00 0.00 C ATOM 1104 C THR A 72 -9.838 2.845 -10.493 1.00 0.00 C ATOM 1105 O THR A 72 -10.325 3.105 -11.574 1.00 0.00 O ATOM 1106 CB THR A 72 -11.366 1.959 -8.710 1.00 0.00 C ATOM 1107 OG1 THR A 72 -10.732 2.231 -7.469 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.273 0.747 -8.428 1.00 0.00 C ATOM 0 H THR A 72 -8.838 1.557 -8.144 1.00 0.00 H new ATOM 0 HA THR A 72 -10.632 0.875 -10.439 1.00 0.00 H new ATOM 0 HB THR A 72 -11.944 2.791 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.409 2.466 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.045 1.029 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.741 0.419 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.676 -0.066 -8.016 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.931 3.566 -9.900 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.484 4.881 -10.472 1.00 0.00 C ATOM 1118 C TYR A 73 -7.297 4.695 -11.432 1.00 0.00 C ATOM 1119 O TYR A 73 -6.619 5.637 -11.793 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.090 5.807 -9.303 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.321 6.610 -8.868 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.653 7.786 -9.515 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.112 6.168 -7.827 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.759 8.510 -9.124 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.217 6.891 -7.436 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.549 8.065 -8.082 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.656 8.789 -7.689 1.00 0.00 O ATOM 0 H TYR A 73 -8.469 3.303 -9.030 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.298 5.323 -11.046 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.710 5.219 -8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.290 6.481 -9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.042 8.140 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.863 5.250 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.009 9.429 -9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.828 6.537 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.098 8.332 -6.943 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.092 3.465 -11.815 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.932 3.079 -12.680 1.00 0.00 C ATOM 1139 C VAL A 74 -6.417 2.040 -13.696 1.00 0.00 C ATOM 1140 O VAL A 74 -7.528 1.551 -13.614 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.803 2.457 -11.814 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.909 3.573 -11.195 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.426 1.556 -10.708 1.00 0.00 C ATOM 0 H VAL A 74 -7.697 2.685 -11.558 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.541 3.961 -13.187 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.166 1.838 -12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.124 3.117 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.458 4.162 -11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.519 4.221 -10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.631 1.121 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.078 2.157 -10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.006 0.758 -11.172 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.549 1.739 -14.626 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.847 0.697 -15.648 1.00 0.00 C ATOM 1155 C GLU A 75 -4.527 0.004 -15.965 1.00 0.00 C ATOM 1156 O GLU A 75 -3.579 0.660 -16.355 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.419 1.379 -16.897 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.486 0.474 -17.549 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.889 0.982 -18.955 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.480 2.067 -19.347 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.613 0.229 -19.583 1.00 0.00 O ATOM 0 H GLU A 75 -4.633 2.179 -14.720 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.578 -0.030 -15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.859 2.339 -16.628 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.619 1.583 -17.609 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.102 -0.543 -17.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.368 0.434 -16.910 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.497 -1.295 -15.791 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.331 -2.089 -16.281 1.00 0.00 C ATOM 1170 C TYR A 76 -3.020 -1.707 -17.746 1.00 0.00 C ATOM 1171 O TYR A 76 -3.917 -1.353 -18.488 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.681 -3.587 -16.174 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.678 -4.395 -17.005 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.429 -4.696 -16.509 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.023 -4.817 -18.273 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.534 -5.411 -17.273 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.131 -5.531 -19.038 1.00 0.00 C ATOM 1178 CZ TYR A 76 -0.880 -5.830 -18.543 1.00 0.00 C ATOM 1179 OH TYR A 76 0.006 -6.542 -19.319 1.00 0.00 O ATOM 0 H TYR A 76 -5.229 -1.837 -15.332 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.448 -1.878 -15.678 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.651 -3.907 -15.132 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.695 -3.763 -16.533 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.151 -4.370 -15.518 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.001 -4.585 -18.667 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.443 -5.645 -16.877 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.411 -5.858 -20.028 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.410 -6.753 -20.181 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.765 -1.792 -18.104 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.349 -1.471 -19.507 1.00 0.00 C ATOM 1191 C ILE A 77 -0.440 -2.558 -20.080 1.00 0.00 C ATOM 1192 O ILE A 77 -0.731 -3.088 -21.138 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.614 -0.090 -19.526 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.232 0.144 -18.231 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.666 1.035 -19.648 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.333 1.191 -18.501 1.00 0.00 C ATOM 0 H ILE A 77 -1.005 -2.071 -17.484 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.242 -1.423 -20.130 1.00 0.00 H new ATOM 0 HB ILE A 77 0.068 -0.084 -20.377 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.414 0.484 -17.421 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.683 -0.794 -17.907 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.164 2.002 -19.662 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.231 0.906 -20.571 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.346 0.991 -18.797 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.917 1.347 -17.594 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.987 0.834 -19.297 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.874 2.132 -18.804 1.00 0.00 H new ATOM 1208 N GLY A 78 0.625 -2.863 -19.384 1.00 0.00 N ATOM 1209 CA GLY A 78 1.689 -3.717 -19.994 1.00 0.00 C ATOM 1210 C GLY A 78 2.381 -4.554 -18.935 1.00 0.00 C ATOM 1211 O GLY A 78 2.550 -4.137 -17.806 1.00 0.00 O ATOM 0 H GLY A 78 0.804 -2.560 -18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.250 -4.369 -20.749 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.420 -3.088 -20.502 1.00 0.00 H new ATOM 1215 N ARG A 79 2.756 -5.724 -19.371 1.00 0.00 N ATOM 1216 CA ARG A 79 3.478 -6.691 -18.491 1.00 0.00 C ATOM 1217 C ARG A 79 4.738 -7.212 -19.176 1.00 0.00 C ATOM 1218 O ARG A 79 4.777 -7.397 -20.377 1.00 0.00 O ATOM 1219 CB ARG A 79 2.553 -7.887 -18.144 1.00 0.00 C ATOM 1220 CG ARG A 79 2.021 -8.606 -19.418 1.00 0.00 C ATOM 1221 CD ARG A 79 2.938 -9.784 -19.832 1.00 0.00 C ATOM 1222 NE ARG A 79 2.139 -11.051 -19.849 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.313 -11.295 -20.833 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.779 -11.751 -21.964 1.00 0.00 N ATOM 1225 NH2 ARG A 79 0.039 -11.081 -20.655 1.00 0.00 N ATOM 0 H ARG A 79 2.590 -6.059 -20.320 1.00 0.00 H new ATOM 0 HA ARG A 79 3.763 -6.169 -17.577 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.100 -8.600 -17.528 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.711 -7.533 -17.550 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.013 -8.976 -19.233 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.953 -7.891 -20.238 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.367 -9.598 -20.817 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.770 -9.875 -19.134 1.00 0.00 H new ATOM 0 HE ARG A 79 2.240 -11.726 -19.091 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.780 -11.914 -22.075 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.142 -11.944 -22.737 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.299 -10.729 -19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.620 -11.266 -21.412 1.00 0.00 H new