USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.503 K(o=1.7,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 178:sc= 1.17 (180deg=-0.0115) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -170:sc= 1.66 (180deg=1.05) USER MOD Set 2.2: A 10 TYR OH : rot 30:sc= 0.0392 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.784 X(o=-0.77,f=-0.63) USER MOD Set 3.2: A 6 SER OG : rot -170:sc= 0.0172 USER MOD Single : A 8 SER OG : rot -22:sc= 0.175 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.299 (180deg=-0.674) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0464) USER MOD Single : A 44 THR OG1 : rot -161:sc= -0.475! USER MOD Single : A 46 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-7.6!) USER MOD Single : A 50 SER OG : rot 77:sc= 0.786 USER MOD Single : A 54 TYR OH : rot 23:sc= 1.24 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.544 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0125) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0.861 (180deg=0.78) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.264 10.625 -4.354 1.00 0.00 N ATOM 36 CA LYS A 4 8.149 11.481 -4.009 1.00 0.00 C ATOM 37 C LYS A 4 8.498 12.403 -2.861 1.00 0.00 C ATOM 38 O LYS A 4 9.620 12.377 -2.345 1.00 0.00 O ATOM 39 CB LYS A 4 6.947 10.630 -3.564 1.00 0.00 C ATOM 40 CG LYS A 4 7.167 9.804 -2.274 1.00 0.00 C ATOM 41 CD LYS A 4 8.066 8.598 -2.487 1.00 0.00 C ATOM 42 CE LYS A 4 8.222 7.788 -1.225 1.00 0.00 C ATOM 43 NZ LYS A 4 8.856 6.485 -1.504 1.00 0.00 N ATOM 0 HA LYS A 4 7.908 12.067 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.092 11.289 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.685 9.948 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.604 10.445 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.202 9.468 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.650 7.969 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.046 8.931 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.825 8.342 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.245 7.630 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.798 5.883 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.363 6.021 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.854 6.632 -1.757 1.00 0.00 H new ATOM 57 N HIS A 5 7.539 13.216 -2.471 1.00 0.00 N ATOM 58 CA HIS A 5 7.673 14.044 -1.291 1.00 0.00 C ATOM 59 C HIS A 5 6.867 13.438 -0.122 1.00 0.00 C ATOM 60 O HIS A 5 7.196 13.649 1.041 1.00 0.00 O ATOM 61 CB HIS A 5 7.246 15.512 -1.571 1.00 0.00 C ATOM 62 CG HIS A 5 5.784 15.722 -1.907 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.268 15.720 -3.185 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.735 15.956 -1.088 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.956 15.948 -3.103 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.579 16.096 -1.843 1.00 0.00 N ATOM 0 H HIS A 5 6.650 13.321 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 5 8.726 14.068 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.488 16.114 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.847 15.894 -2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.788 16.024 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.290 16.004 -3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.636 16.275 -1.499 1.00 0.00 H new ATOM 74 N SER A 6 5.820 12.674 -0.449 1.00 0.00 N ATOM 75 CA SER A 6 4.972 12.040 0.552 1.00 0.00 C ATOM 76 C SER A 6 4.154 10.963 -0.133 1.00 0.00 C ATOM 77 O SER A 6 4.268 10.785 -1.351 1.00 0.00 O ATOM 78 CB SER A 6 4.017 13.076 1.164 1.00 0.00 C ATOM 79 OG SER A 6 3.086 13.551 0.185 1.00 0.00 O ATOM 0 H SER A 6 5.542 12.481 -1.411 1.00 0.00 H new ATOM 0 HA SER A 6 5.590 11.614 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.477 12.630 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.589 13.913 1.564 1.00 0.00 H new ATOM 0 HG SER A 6 2.594 14.318 0.546 1.00 0.00 H new ATOM 85 N ILE A 7 3.306 10.272 0.621 1.00 0.00 N ATOM 86 CA ILE A 7 2.416 9.281 0.037 1.00 0.00 C ATOM 87 C ILE A 7 1.320 9.983 -0.803 1.00 0.00 C ATOM 88 O ILE A 7 0.743 9.392 -1.701 1.00 0.00 O ATOM 89 CB ILE A 7 1.763 8.372 1.119 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.971 7.239 0.461 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.871 9.178 2.038 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.419 6.255 1.444 1.00 0.00 C ATOM 0 H ILE A 7 3.218 10.380 1.631 1.00 0.00 H new ATOM 0 HA ILE A 7 3.016 8.640 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 7 2.561 7.935 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.150 7.666 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.617 6.715 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.427 8.519 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.462 9.946 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.080 9.650 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.131 5.479 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.237 5.802 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.252 6.767 2.134 1.00 0.00 H new ATOM 104 N SER A 8 1.097 11.272 -0.534 1.00 0.00 N ATOM 105 CA SER A 8 0.089 12.036 -1.236 1.00 0.00 C ATOM 106 C SER A 8 0.552 12.362 -2.649 1.00 0.00 C ATOM 107 O SER A 8 -0.247 12.797 -3.493 1.00 0.00 O ATOM 108 CB SER A 8 -0.263 13.324 -0.470 1.00 0.00 C ATOM 109 OG SER A 8 -1.227 14.105 -1.179 1.00 0.00 O ATOM 0 H SER A 8 1.610 11.802 0.171 1.00 0.00 H new ATOM 0 HA SER A 8 -0.812 11.426 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.653 13.068 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.640 13.914 -0.312 1.00 0.00 H new ATOM 0 HG SER A 8 -1.209 13.863 -2.129 1.00 0.00 H new ATOM 115 N ASP A 9 1.838 12.196 -2.902 1.00 0.00 N ATOM 116 CA ASP A 9 2.354 12.412 -4.240 1.00 0.00 C ATOM 117 C ASP A 9 1.980 11.230 -5.123 1.00 0.00 C ATOM 118 O ASP A 9 1.776 11.374 -6.328 1.00 0.00 O ATOM 119 CB ASP A 9 3.860 12.613 -4.231 1.00 0.00 C ATOM 120 CG ASP A 9 4.393 13.001 -5.595 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.308 14.187 -5.959 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.880 12.127 -6.325 1.00 0.00 O ATOM 0 H ASP A 9 2.534 11.917 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 9 1.907 13.322 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.117 13.387 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.346 11.695 -3.901 1.00 0.00 H new ATOM 127 N TYR A 10 1.848 10.066 -4.503 1.00 0.00 N ATOM 128 CA TYR A 10 1.454 8.873 -5.215 1.00 0.00 C ATOM 129 C TYR A 10 -0.006 8.946 -5.573 1.00 0.00 C ATOM 130 O TYR A 10 -0.849 9.324 -4.750 1.00 0.00 O ATOM 131 CB TYR A 10 1.692 7.586 -4.401 1.00 0.00 C ATOM 132 CG TYR A 10 3.132 7.129 -4.256 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.698 6.252 -5.182 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.912 7.534 -3.190 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.001 5.802 -5.036 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.199 7.094 -3.051 1.00 0.00 C ATOM 137 CZ TYR A 10 5.744 6.235 -3.963 1.00 0.00 C ATOM 138 OH TYR A 10 7.047 5.797 -3.781 1.00 0.00 O ATOM 0 H TYR A 10 2.010 9.929 -3.505 1.00 0.00 H new ATOM 0 HA TYR A 10 2.074 8.828 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.279 7.733 -3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.124 6.780 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.112 5.919 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.499 8.209 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.427 5.120 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.791 7.429 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 10 7.452 5.605 -4.652 1.00 0.00 H new ATOM 148 N THR A 11 -0.298 8.642 -6.789 1.00 0.00 N ATOM 149 CA THR A 11 -1.651 8.533 -7.234 1.00 0.00 C ATOM 150 C THR A 11 -2.147 7.172 -6.768 1.00 0.00 C ATOM 151 O THR A 11 -1.317 6.286 -6.483 1.00 0.00 O ATOM 152 CB THR A 11 -1.673 8.584 -8.772 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.630 9.455 -9.211 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.990 9.124 -9.298 1.00 0.00 C ATOM 0 H THR A 11 0.398 8.460 -7.512 1.00 0.00 H new ATOM 0 HA THR A 11 -2.273 9.338 -6.843 1.00 0.00 H new ATOM 0 HB THR A 11 -1.539 7.570 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.629 9.497 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.966 9.144 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.805 8.482 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.146 10.134 -8.920 1.00 0.00 H new ATOM 162 N GLU A 12 -3.458 7.006 -6.682 1.00 0.00 N ATOM 163 CA GLU A 12 -4.052 5.745 -6.263 1.00 0.00 C ATOM 164 C GLU A 12 -3.478 4.600 -7.096 1.00 0.00 C ATOM 165 O GLU A 12 -2.971 3.639 -6.551 1.00 0.00 O ATOM 166 CB GLU A 12 -5.579 5.780 -6.397 1.00 0.00 C ATOM 167 CG GLU A 12 -6.259 4.509 -5.907 1.00 0.00 C ATOM 168 CD GLU A 12 -7.727 4.474 -6.217 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.092 4.135 -7.358 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.546 4.762 -5.328 1.00 0.00 O ATOM 0 H GLU A 12 -4.137 7.736 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.810 5.585 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.966 6.630 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.841 5.943 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.776 3.645 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.118 4.420 -4.830 1.00 0.00 H new ATOM 177 N ALA A 13 -3.489 4.768 -8.417 1.00 0.00 N ATOM 178 CA ALA A 13 -2.965 3.763 -9.346 1.00 0.00 C ATOM 179 C ALA A 13 -1.466 3.478 -9.118 1.00 0.00 C ATOM 180 O ALA A 13 -1.028 2.334 -9.204 1.00 0.00 O ATOM 181 CB ALA A 13 -3.207 4.198 -10.785 1.00 0.00 C ATOM 0 H ALA A 13 -3.860 5.601 -8.874 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.502 2.834 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.813 3.442 -11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.277 4.316 -10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.704 5.148 -10.967 1.00 0.00 H new ATOM 187 N GLU A 14 -0.711 4.509 -8.779 1.00 0.00 N ATOM 188 CA GLU A 14 0.743 4.392 -8.572 1.00 0.00 C ATOM 189 C GLU A 14 1.055 3.684 -7.292 1.00 0.00 C ATOM 190 O GLU A 14 1.968 2.867 -7.226 1.00 0.00 O ATOM 191 CB GLU A 14 1.396 5.763 -8.584 1.00 0.00 C ATOM 192 CG GLU A 14 1.271 6.477 -9.905 1.00 0.00 C ATOM 193 CD GLU A 14 1.946 5.728 -11.008 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.174 5.820 -11.145 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.263 5.026 -11.760 1.00 0.00 O ATOM 0 H GLU A 14 -1.076 5.451 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 14 1.148 3.801 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.947 6.378 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.452 5.656 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.217 6.609 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.707 7.473 -9.822 1.00 0.00 H new ATOM 202 N PHE A 15 0.297 3.977 -6.284 1.00 0.00 N ATOM 203 CA PHE A 15 0.459 3.319 -5.032 1.00 0.00 C ATOM 204 C PHE A 15 -0.068 1.928 -5.155 1.00 0.00 C ATOM 205 O PHE A 15 0.396 1.042 -4.533 1.00 0.00 O ATOM 206 CB PHE A 15 -0.197 4.074 -3.906 1.00 0.00 C ATOM 207 CG PHE A 15 0.256 3.593 -2.577 1.00 0.00 C ATOM 208 CD1 PHE A 15 1.418 4.095 -2.022 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.463 2.640 -1.881 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.854 3.656 -0.802 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.029 2.206 -0.661 1.00 0.00 C ATOM 212 CZ PHE A 15 1.129 2.709 -0.126 1.00 0.00 C ATOM 0 H PHE A 15 -0.447 4.675 -6.307 1.00 0.00 H new ATOM 0 HA PHE A 15 1.519 3.282 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.027 5.136 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.279 3.968 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.987 4.841 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.372 2.237 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.763 4.053 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.598 1.466 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.473 2.356 0.835 1.00 0.00 H new ATOM 222 N LEU A 16 -1.043 1.756 -5.958 1.00 0.00 N ATOM 223 CA LEU A 16 -1.568 0.448 -6.221 1.00 0.00 C ATOM 224 C LEU A 16 -0.516 -0.411 -6.937 1.00 0.00 C ATOM 225 O LEU A 16 -0.494 -1.631 -6.820 1.00 0.00 O ATOM 226 CB LEU A 16 -2.891 0.603 -6.955 1.00 0.00 C ATOM 227 CG LEU A 16 -3.710 -0.612 -7.182 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.159 -0.220 -7.286 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.317 -1.278 -8.442 1.00 0.00 C ATOM 0 H LEU A 16 -1.511 2.510 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.786 -0.097 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.499 1.316 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.683 1.051 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.553 -1.296 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.766 -1.110 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.472 0.264 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.290 0.470 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.930 -2.167 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.464 -0.593 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.267 -1.566 -8.389 1.00 0.00 H new ATOM 241 N GLU A 17 0.349 0.230 -7.637 1.00 0.00 N ATOM 242 CA GLU A 17 1.509 -0.439 -8.156 1.00 0.00 C ATOM 243 C GLU A 17 2.507 -0.791 -7.060 1.00 0.00 C ATOM 244 O GLU A 17 3.347 -1.619 -7.287 1.00 0.00 O ATOM 245 CB GLU A 17 2.215 0.259 -9.304 1.00 0.00 C ATOM 246 CG GLU A 17 1.583 0.044 -10.653 1.00 0.00 C ATOM 247 CD GLU A 17 2.485 0.520 -11.755 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.358 -0.260 -12.218 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.374 1.688 -12.159 1.00 0.00 O ATOM 0 H GLU A 17 0.284 1.221 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 17 1.098 -1.354 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.245 1.329 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.248 -0.087 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.363 -1.015 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.633 0.576 -10.702 1.00 0.00 H new ATOM 256 N PHE A 18 2.430 -0.129 -5.873 1.00 0.00 N ATOM 257 CA PHE A 18 3.337 -0.466 -4.722 1.00 0.00 C ATOM 258 C PHE A 18 3.226 -1.926 -4.469 1.00 0.00 C ATOM 259 O PHE A 18 4.197 -2.661 -4.501 1.00 0.00 O ATOM 260 CB PHE A 18 2.988 0.323 -3.355 1.00 0.00 C ATOM 261 CG PHE A 18 2.185 -0.439 -2.180 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.780 -0.509 -2.143 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.864 -1.055 -1.133 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.106 -1.170 -1.095 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.188 -1.703 -0.103 1.00 0.00 C ATOM 266 CZ PHE A 18 0.818 -1.756 -0.089 1.00 0.00 C ATOM 0 H PHE A 18 1.769 0.624 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 18 4.345 -0.161 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.929 0.676 -2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.410 1.206 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.206 -0.047 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.944 -1.030 -1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.973 -1.212 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.749 -2.169 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.304 -2.260 0.716 1.00 0.00 H new ATOM 276 N VAL A 19 2.019 -2.326 -4.321 1.00 0.00 N ATOM 277 CA VAL A 19 1.691 -3.655 -3.967 1.00 0.00 C ATOM 278 C VAL A 19 1.906 -4.610 -5.126 1.00 0.00 C ATOM 279 O VAL A 19 2.366 -5.731 -4.934 1.00 0.00 O ATOM 280 CB VAL A 19 0.269 -3.723 -3.365 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.790 -3.264 -4.321 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.028 -5.064 -2.756 1.00 0.00 C ATOM 0 H VAL A 19 1.208 -1.720 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 19 2.374 -3.988 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 19 0.248 -3.007 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.767 -3.334 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.599 -2.229 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.775 -3.894 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.038 -5.062 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.052 -5.837 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.686 -5.268 -1.958 1.00 0.00 H new ATOM 292 N LYS A 20 1.616 -4.148 -6.329 1.00 0.00 N ATOM 293 CA LYS A 20 1.871 -4.941 -7.508 1.00 0.00 C ATOM 294 C LYS A 20 3.369 -5.189 -7.658 1.00 0.00 C ATOM 295 O LYS A 20 3.800 -6.288 -7.965 1.00 0.00 O ATOM 296 CB LYS A 20 1.333 -4.275 -8.761 1.00 0.00 C ATOM 297 CG LYS A 20 -0.171 -4.190 -8.804 1.00 0.00 C ATOM 298 CD LYS A 20 -0.640 -3.761 -10.159 1.00 0.00 C ATOM 299 CE LYS A 20 -2.148 -3.819 -10.304 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.591 -3.638 -11.711 1.00 0.00 N ATOM 0 H LYS A 20 1.206 -3.232 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 20 1.352 -5.892 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.747 -3.269 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.682 -4.827 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.602 -5.160 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.522 -3.483 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.300 -2.743 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.182 -4.398 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.509 -4.778 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.600 -3.046 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.629 -3.686 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.271 -2.712 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.183 -4.390 -12.303 1.00 0.00 H new ATOM 314 N LYS A 21 4.149 -4.156 -7.389 1.00 0.00 N ATOM 315 CA LYS A 21 5.593 -4.215 -7.451 1.00 0.00 C ATOM 316 C LYS A 21 6.116 -5.167 -6.393 1.00 0.00 C ATOM 317 O LYS A 21 7.018 -5.921 -6.648 1.00 0.00 O ATOM 318 CB LYS A 21 6.194 -2.817 -7.256 1.00 0.00 C ATOM 319 CG LYS A 21 7.705 -2.742 -7.417 1.00 0.00 C ATOM 320 CD LYS A 21 8.217 -1.320 -7.254 1.00 0.00 C ATOM 321 CE LYS A 21 8.102 -0.839 -5.824 1.00 0.00 C ATOM 322 NZ LYS A 21 8.602 0.532 -5.679 1.00 0.00 N ATOM 0 H LYS A 21 3.788 -3.241 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 21 5.889 -4.582 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.733 -2.136 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.931 -2.460 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.182 -3.388 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.986 -3.120 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.259 -1.271 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.653 -0.654 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.060 -0.884 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.664 -1.504 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.908 0.688 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.408 0.677 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.845 1.205 -5.916 1.00 0.00 H new ATOM 336 N ILE A 22 5.520 -5.138 -5.221 1.00 0.00 N ATOM 337 CA ILE A 22 5.893 -6.056 -4.148 1.00 0.00 C ATOM 338 C ILE A 22 5.554 -7.495 -4.555 1.00 0.00 C ATOM 339 O ILE A 22 6.283 -8.423 -4.258 1.00 0.00 O ATOM 340 CB ILE A 22 5.185 -5.680 -2.806 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.603 -4.275 -2.379 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.514 -6.681 -1.705 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.969 -3.791 -1.106 1.00 0.00 C ATOM 0 H ILE A 22 4.771 -4.489 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 22 6.968 -5.976 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 22 4.108 -5.706 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.686 -4.253 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.356 -3.578 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.006 -6.390 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.181 -7.675 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.591 -6.695 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.325 -2.785 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.885 -3.775 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.236 -4.461 -0.289 1.00 0.00 H new ATOM 355 N CYS A 23 4.465 -7.648 -5.266 1.00 0.00 N ATOM 356 CA CYS A 23 4.018 -8.934 -5.743 1.00 0.00 C ATOM 357 C CYS A 23 4.942 -9.483 -6.859 1.00 0.00 C ATOM 358 O CYS A 23 5.215 -10.676 -6.908 1.00 0.00 O ATOM 359 CB CYS A 23 2.565 -8.819 -6.247 1.00 0.00 C ATOM 360 SG CYS A 23 1.847 -10.342 -6.903 1.00 0.00 S ATOM 0 H CYS A 23 3.856 -6.874 -5.533 1.00 0.00 H new ATOM 0 HA CYS A 23 4.060 -9.641 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.941 -8.468 -5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.528 -8.056 -7.024 1.00 0.00 H new ATOM 0 HG CYS A 23 0.627 -10.115 -7.290 1.00 0.00 H new ATOM 366 N ARG A 24 5.423 -8.611 -7.737 1.00 0.00 N ATOM 367 CA ARG A 24 6.231 -9.044 -8.886 1.00 0.00 C ATOM 368 C ARG A 24 7.758 -8.890 -8.685 1.00 0.00 C ATOM 369 O ARG A 24 8.526 -9.811 -8.933 1.00 0.00 O ATOM 370 CB ARG A 24 5.756 -8.334 -10.169 1.00 0.00 C ATOM 371 CG ARG A 24 5.903 -6.829 -10.179 1.00 0.00 C ATOM 372 CD ARG A 24 5.288 -6.247 -11.426 1.00 0.00 C ATOM 373 NE ARG A 24 5.483 -4.780 -11.526 1.00 0.00 N ATOM 374 CZ ARG A 24 4.523 -3.874 -11.834 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.259 -4.267 -11.985 1.00 0.00 N ATOM 376 NH2 ARG A 24 4.839 -2.574 -11.960 1.00 0.00 N ATOM 0 H ARG A 24 5.272 -7.604 -7.682 1.00 0.00 H new ATOM 0 HA ARG A 24 6.069 -10.117 -8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.312 -8.740 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.706 -8.579 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.422 -6.405 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.958 -6.560 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.725 -6.728 -12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.221 -6.470 -11.439 1.00 0.00 H new ATOM 0 HE ARG A 24 6.421 -4.422 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.013 -5.250 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.537 -3.585 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.802 -2.268 -11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.115 -1.893 -12.192 1.00 0.00 H new ATOM 390 N ALA A 25 8.172 -7.769 -8.160 1.00 0.00 N ATOM 391 CA ALA A 25 9.581 -7.397 -8.052 1.00 0.00 C ATOM 392 C ALA A 25 10.139 -7.716 -6.672 1.00 0.00 C ATOM 393 O ALA A 25 11.158 -7.132 -6.269 1.00 0.00 O ATOM 394 CB ALA A 25 9.758 -5.918 -8.381 1.00 0.00 C ATOM 0 H ALA A 25 7.537 -7.065 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 25 10.144 -7.988 -8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.811 -5.650 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.415 -5.728 -9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.175 -5.318 -7.683 1.00 0.00 H new ATOM 400 N GLU A 26 9.462 -8.664 -5.986 1.00 0.00 N ATOM 401 CA GLU A 26 9.743 -9.139 -4.599 1.00 0.00 C ATOM 402 C GLU A 26 11.215 -9.009 -4.208 1.00 0.00 C ATOM 403 O GLU A 26 11.556 -8.300 -3.263 1.00 0.00 O ATOM 404 CB GLU A 26 9.344 -10.616 -4.464 1.00 0.00 C ATOM 405 CG GLU A 26 7.924 -10.926 -4.887 1.00 0.00 C ATOM 406 CD GLU A 26 7.559 -12.365 -4.677 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.878 -13.209 -5.536 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.945 -12.691 -3.656 1.00 0.00 O ATOM 0 H GLU A 26 8.664 -9.147 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 26 9.158 -8.504 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.027 -11.219 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.475 -10.921 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.236 -10.295 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.800 -10.674 -5.940 1.00 0.00 H new ATOM 415 N GLY A 27 12.073 -9.668 -4.949 1.00 0.00 N ATOM 416 CA GLY A 27 13.470 -9.621 -4.668 1.00 0.00 C ATOM 417 C GLY A 27 14.056 -10.993 -4.680 1.00 0.00 C ATOM 418 O GLY A 27 13.606 -11.859 -5.445 1.00 0.00 O ATOM 0 H GLY A 27 11.818 -10.243 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.974 -8.998 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.635 -9.158 -3.695 1.00 0.00 H new ATOM 422 N ALA A 28 15.015 -11.220 -3.829 1.00 0.00 N ATOM 423 CA ALA A 28 15.675 -12.494 -3.761 1.00 0.00 C ATOM 424 C ALA A 28 15.194 -13.255 -2.542 1.00 0.00 C ATOM 425 O ALA A 28 14.900 -14.453 -2.610 1.00 0.00 O ATOM 426 CB ALA A 28 17.181 -12.292 -3.700 1.00 0.00 C ATOM 0 H ALA A 28 15.362 -10.529 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 28 15.436 -13.073 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.676 -13.262 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.513 -11.762 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.434 -11.708 -2.815 1.00 0.00 H new ATOM 432 N THR A 29 15.093 -12.561 -1.447 1.00 0.00 N ATOM 433 CA THR A 29 14.698 -13.141 -0.197 1.00 0.00 C ATOM 434 C THR A 29 13.509 -12.312 0.345 1.00 0.00 C ATOM 435 O THR A 29 13.263 -11.207 -0.145 1.00 0.00 O ATOM 436 CB THR A 29 15.906 -13.074 0.763 1.00 0.00 C ATOM 437 OG1 THR A 29 17.105 -13.398 0.023 1.00 0.00 O ATOM 438 CG2 THR A 29 15.770 -14.074 1.888 1.00 0.00 C ATOM 0 H THR A 29 15.286 -11.561 -1.396 1.00 0.00 H new ATOM 0 HA THR A 29 14.392 -14.182 -0.303 1.00 0.00 H new ATOM 0 HB THR A 29 15.952 -12.069 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.880 -13.357 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.636 -14.002 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.864 -13.862 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.712 -15.081 1.475 1.00 0.00 H new ATOM 446 N GLU A 30 12.789 -12.810 1.349 1.00 0.00 N ATOM 447 CA GLU A 30 11.592 -12.111 1.839 1.00 0.00 C ATOM 448 C GLU A 30 11.915 -10.778 2.527 1.00 0.00 C ATOM 449 O GLU A 30 11.032 -9.953 2.732 1.00 0.00 O ATOM 450 CB GLU A 30 10.703 -13.009 2.708 1.00 0.00 C ATOM 451 CG GLU A 30 11.321 -13.486 3.996 1.00 0.00 C ATOM 452 CD GLU A 30 10.389 -14.381 4.779 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.479 -13.862 5.465 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.550 -15.624 4.725 1.00 0.00 O ATOM 0 H GLU A 30 13.005 -13.680 1.835 1.00 0.00 H new ATOM 0 HA GLU A 30 11.012 -11.860 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.789 -12.465 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.413 -13.880 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.242 -14.026 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.594 -12.625 4.607 1.00 0.00 H new ATOM 461 N GLU A 31 13.179 -10.567 2.863 1.00 0.00 N ATOM 462 CA GLU A 31 13.626 -9.295 3.419 1.00 0.00 C ATOM 463 C GLU A 31 13.512 -8.192 2.361 1.00 0.00 C ATOM 464 O GLU A 31 13.251 -7.045 2.688 1.00 0.00 O ATOM 465 CB GLU A 31 15.079 -9.383 3.896 1.00 0.00 C ATOM 466 CG GLU A 31 16.044 -9.786 2.798 1.00 0.00 C ATOM 467 CD GLU A 31 17.472 -9.716 3.211 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.053 -8.613 3.194 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.055 -10.763 3.553 1.00 0.00 O ATOM 0 H GLU A 31 13.918 -11.263 2.760 1.00 0.00 H new ATOM 0 HA GLU A 31 12.989 -9.059 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.381 -8.417 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.144 -10.104 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.815 -10.803 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.891 -9.139 1.934 1.00 0.00 H new ATOM 476 N ASP A 32 13.681 -8.569 1.087 1.00 0.00 N ATOM 477 CA ASP A 32 13.627 -7.617 -0.024 1.00 0.00 C ATOM 478 C ASP A 32 12.204 -7.142 -0.178 1.00 0.00 C ATOM 479 O ASP A 32 11.936 -5.958 -0.378 1.00 0.00 O ATOM 480 CB ASP A 32 14.120 -8.249 -1.339 1.00 0.00 C ATOM 481 CG ASP A 32 15.554 -8.722 -1.303 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.475 -7.886 -1.333 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.787 -9.948 -1.300 1.00 0.00 O ATOM 0 H ASP A 32 13.857 -9.532 0.802 1.00 0.00 H new ATOM 0 HA ASP A 32 14.287 -6.778 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.477 -9.094 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.010 -7.520 -2.142 1.00 0.00 H new ATOM 488 N ASP A 33 11.302 -8.089 -0.049 1.00 0.00 N ATOM 489 CA ASP A 33 9.859 -7.846 -0.041 1.00 0.00 C ATOM 490 C ASP A 33 9.529 -6.924 1.121 1.00 0.00 C ATOM 491 O ASP A 33 8.924 -5.873 0.955 1.00 0.00 O ATOM 492 CB ASP A 33 9.152 -9.197 0.152 1.00 0.00 C ATOM 493 CG ASP A 33 7.636 -9.126 0.313 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.148 -8.929 1.456 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.928 -9.391 -0.670 1.00 0.00 O ATOM 0 H ASP A 33 11.546 -9.074 0.056 1.00 0.00 H new ATOM 0 HA ASP A 33 9.534 -7.384 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.380 -9.833 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.571 -9.685 1.032 1.00 0.00 H new ATOM 500 N ASN A 34 10.026 -7.308 2.280 1.00 0.00 N ATOM 501 CA ASN A 34 9.806 -6.607 3.540 1.00 0.00 C ATOM 502 C ASN A 34 10.295 -5.164 3.486 1.00 0.00 C ATOM 503 O ASN A 34 9.625 -4.273 3.966 1.00 0.00 O ATOM 504 CB ASN A 34 10.519 -7.354 4.653 1.00 0.00 C ATOM 505 CG ASN A 34 10.176 -6.892 6.049 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.772 -5.963 6.590 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.271 -7.590 6.664 1.00 0.00 N ATOM 0 H ASN A 34 10.610 -8.138 2.379 1.00 0.00 H new ATOM 0 HA ASN A 34 8.733 -6.577 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.283 -8.415 4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.595 -7.254 4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.032 -7.375 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.799 -8.353 6.179 1.00 0.00 H new ATOM 514 N LYS A 35 11.456 -4.929 2.887 1.00 0.00 N ATOM 515 CA LYS A 35 11.974 -3.573 2.788 1.00 0.00 C ATOM 516 C LYS A 35 11.175 -2.717 1.808 1.00 0.00 C ATOM 517 O LYS A 35 11.100 -1.492 1.973 1.00 0.00 O ATOM 518 CB LYS A 35 13.488 -3.530 2.550 1.00 0.00 C ATOM 519 CG LYS A 35 13.974 -4.235 1.313 1.00 0.00 C ATOM 520 CD LYS A 35 15.486 -4.409 1.345 1.00 0.00 C ATOM 521 CE LYS A 35 16.245 -3.088 1.255 1.00 0.00 C ATOM 522 NZ LYS A 35 16.090 -2.450 -0.063 1.00 0.00 N ATOM 0 H LYS A 35 12.047 -5.647 2.469 1.00 0.00 H new ATOM 0 HA LYS A 35 11.829 -3.113 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.800 -2.487 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.986 -3.968 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.493 -5.210 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.688 -3.665 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.767 -4.920 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.789 -5.052 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.886 -2.411 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.303 -3.264 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.726 -1.630 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.328 -3.134 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.106 -2.135 -0.183 1.00 0.00 H new ATOM 536 N LEU A 36 10.553 -3.350 0.806 1.00 0.00 N ATOM 537 CA LEU A 36 9.608 -2.631 -0.049 1.00 0.00 C ATOM 538 C LEU A 36 8.411 -2.271 0.794 1.00 0.00 C ATOM 539 O LEU A 36 7.950 -1.138 0.791 1.00 0.00 O ATOM 540 CB LEU A 36 9.128 -3.457 -1.259 1.00 0.00 C ATOM 541 CG LEU A 36 10.143 -3.763 -2.352 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.512 -4.666 -3.403 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.611 -2.471 -2.999 1.00 0.00 C ATOM 0 H LEU A 36 10.683 -4.334 0.573 1.00 0.00 H new ATOM 0 HA LEU A 36 10.119 -1.755 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.740 -4.405 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.292 -2.928 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 36 11.000 -4.271 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.242 -4.882 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.192 -5.598 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.649 -4.165 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.337 -2.697 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.757 -1.953 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.075 -1.834 -2.246 1.00 0.00 H new ATOM 555 N VAL A 37 7.942 -3.244 1.546 1.00 0.00 N ATOM 556 CA VAL A 37 6.818 -3.062 2.434 1.00 0.00 C ATOM 557 C VAL A 37 7.100 -1.929 3.429 1.00 0.00 C ATOM 558 O VAL A 37 6.303 -1.048 3.570 1.00 0.00 O ATOM 559 CB VAL A 37 6.453 -4.375 3.198 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.267 -4.134 4.100 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.115 -5.487 2.221 1.00 0.00 C ATOM 0 H VAL A 37 8.332 -4.186 1.557 1.00 0.00 H new ATOM 0 HA VAL A 37 5.960 -2.794 1.818 1.00 0.00 H new ATOM 0 HB VAL A 37 7.316 -4.673 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.019 -5.054 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.511 -3.355 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.413 -3.818 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.864 -6.393 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.264 -5.187 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.974 -5.680 1.579 1.00 0.00 H new ATOM 571 N ARG A 38 8.269 -1.935 4.052 1.00 0.00 N ATOM 572 CA ARG A 38 8.639 -0.900 5.032 1.00 0.00 C ATOM 573 C ARG A 38 8.627 0.510 4.441 1.00 0.00 C ATOM 574 O ARG A 38 8.342 1.466 5.148 1.00 0.00 O ATOM 575 CB ARG A 38 9.996 -1.157 5.650 1.00 0.00 C ATOM 576 CG ARG A 38 10.104 -2.412 6.470 1.00 0.00 C ATOM 577 CD ARG A 38 11.474 -2.497 7.087 1.00 0.00 C ATOM 578 NE ARG A 38 11.667 -3.722 7.848 1.00 0.00 N ATOM 579 CZ ARG A 38 12.488 -3.850 8.887 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.187 -2.806 9.324 1.00 0.00 N ATOM 581 NH2 ARG A 38 12.603 -5.020 9.492 1.00 0.00 N ATOM 0 H ARG A 38 8.987 -2.644 3.902 1.00 0.00 H new ATOM 0 HA ARG A 38 7.873 -0.960 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.737 -1.200 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.256 -0.307 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.342 -2.415 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.922 -3.285 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.227 -2.439 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.628 -1.639 7.741 1.00 0.00 H new ATOM 0 HE ARG A 38 11.133 -4.543 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.095 -1.901 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.815 -2.910 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.063 -5.820 9.162 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.231 -5.122 10.289 1.00 0.00 H new ATOM 595 N GLU A 39 8.973 0.632 3.178 1.00 0.00 N ATOM 596 CA GLU A 39 8.941 1.887 2.454 1.00 0.00 C ATOM 597 C GLU A 39 7.512 2.400 2.398 1.00 0.00 C ATOM 598 O GLU A 39 7.201 3.514 2.852 1.00 0.00 O ATOM 599 CB GLU A 39 9.470 1.573 1.056 1.00 0.00 C ATOM 600 CG GLU A 39 9.149 2.543 -0.048 1.00 0.00 C ATOM 601 CD GLU A 39 9.949 3.806 -0.028 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.032 3.832 -0.605 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.477 4.821 0.518 1.00 0.00 O ATOM 0 H GLU A 39 9.292 -0.155 2.612 1.00 0.00 H new ATOM 0 HA GLU A 39 9.544 2.660 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.555 1.485 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.087 0.595 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.305 2.046 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.091 2.799 0.009 1.00 0.00 H new ATOM 610 N PHE A 40 6.659 1.557 1.928 1.00 0.00 N ATOM 611 CA PHE A 40 5.292 1.886 1.702 1.00 0.00 C ATOM 612 C PHE A 40 4.492 1.951 2.990 1.00 0.00 C ATOM 613 O PHE A 40 3.670 2.831 3.159 1.00 0.00 O ATOM 614 CB PHE A 40 4.724 0.920 0.699 1.00 0.00 C ATOM 615 CG PHE A 40 5.380 1.059 -0.656 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.264 2.233 -1.386 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.114 0.019 -1.192 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.872 2.356 -2.622 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.718 0.134 -2.420 1.00 0.00 C ATOM 620 CZ PHE A 40 6.599 1.301 -3.136 1.00 0.00 C ATOM 0 H PHE A 40 6.897 0.596 1.684 1.00 0.00 H new ATOM 0 HA PHE A 40 5.225 2.893 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.856 -0.099 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.651 1.088 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.694 3.058 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.215 -0.901 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.778 3.274 -3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.286 -0.692 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.075 1.393 -4.101 1.00 0.00 H new ATOM 630 N GLU A 41 4.792 1.071 3.909 1.00 0.00 N ATOM 631 CA GLU A 41 4.160 1.057 5.207 1.00 0.00 C ATOM 632 C GLU A 41 4.593 2.211 6.088 1.00 0.00 C ATOM 633 O GLU A 41 3.926 2.555 7.066 1.00 0.00 O ATOM 634 CB GLU A 41 4.305 -0.305 5.883 1.00 0.00 C ATOM 635 CG GLU A 41 3.288 -1.264 5.316 1.00 0.00 C ATOM 636 CD GLU A 41 1.948 -0.610 5.379 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.481 -0.390 6.508 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.372 -0.267 4.343 1.00 0.00 O ATOM 0 H GLU A 41 5.488 0.336 3.779 1.00 0.00 H new ATOM 0 HA GLU A 41 3.094 1.214 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.312 -0.693 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.164 -0.205 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.539 -1.520 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.284 -2.194 5.884 1.00 0.00 H new ATOM 645 N ARG A 42 5.696 2.835 5.735 1.00 0.00 N ATOM 646 CA ARG A 42 6.141 4.016 6.441 1.00 0.00 C ATOM 647 C ARG A 42 5.318 5.184 5.947 1.00 0.00 C ATOM 648 O ARG A 42 5.058 6.138 6.663 1.00 0.00 O ATOM 649 CB ARG A 42 7.609 4.267 6.149 1.00 0.00 C ATOM 650 CG ARG A 42 8.279 5.277 7.058 1.00 0.00 C ATOM 651 CD ARG A 42 8.189 4.851 8.513 1.00 0.00 C ATOM 652 NE ARG A 42 8.697 3.481 8.719 1.00 0.00 N ATOM 653 CZ ARG A 42 8.009 2.498 9.320 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.796 2.732 9.795 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.534 1.282 9.442 1.00 0.00 N ATOM 0 H ARG A 42 6.299 2.545 4.965 1.00 0.00 H new ATOM 0 HA ARG A 42 6.018 3.887 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.146 3.321 6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.706 4.608 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.325 5.389 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.808 6.252 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.759 5.546 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.152 4.907 8.844 1.00 0.00 H new ATOM 0 HE ARG A 42 9.635 3.266 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.383 3.660 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.274 1.984 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.467 1.090 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.004 0.541 9.900 1.00 0.00 H new ATOM 669 N LEU A 43 4.939 5.082 4.707 1.00 0.00 N ATOM 670 CA LEU A 43 4.111 6.069 4.038 1.00 0.00 C ATOM 671 C LEU A 43 2.642 6.011 4.503 1.00 0.00 C ATOM 672 O LEU A 43 2.022 7.049 4.767 1.00 0.00 O ATOM 673 CB LEU A 43 4.186 5.838 2.523 1.00 0.00 C ATOM 674 CG LEU A 43 5.529 6.108 1.853 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.479 5.702 0.393 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.904 7.579 1.978 1.00 0.00 C ATOM 0 H LEU A 43 5.198 4.296 4.110 1.00 0.00 H new ATOM 0 HA LEU A 43 4.491 7.058 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.908 4.803 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.435 6.468 2.046 1.00 0.00 H new ATOM 0 HG LEU A 43 6.291 5.513 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.444 5.900 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.252 4.639 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.705 6.275 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.865 7.752 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.141 8.191 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.975 7.848 3.032 1.00 0.00 H new ATOM 688 N THR A 44 2.104 4.817 4.595 1.00 0.00 N ATOM 689 CA THR A 44 0.698 4.600 4.914 1.00 0.00 C ATOM 690 C THR A 44 0.378 4.732 6.376 1.00 0.00 C ATOM 691 O THR A 44 -0.700 5.242 6.724 1.00 0.00 O ATOM 692 CB THR A 44 0.295 3.220 4.427 1.00 0.00 C ATOM 693 OG1 THR A 44 1.254 2.299 4.913 1.00 0.00 O ATOM 694 CG2 THR A 44 0.317 3.237 2.943 1.00 0.00 C ATOM 0 H THR A 44 2.630 3.955 4.450 1.00 0.00 H new ATOM 0 HA THR A 44 0.132 5.383 4.409 1.00 0.00 H new ATOM 0 HB THR A 44 -0.699 2.940 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.212 1.474 4.386 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.031 2.256 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.385 3.986 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.321 3.481 2.597 1.00 0.00 H new ATOM 702 N GLU A 45 1.311 4.282 7.231 1.00 0.00 N ATOM 703 CA GLU A 45 1.114 4.215 8.659 1.00 0.00 C ATOM 704 C GLU A 45 -0.010 3.194 8.931 1.00 0.00 C ATOM 705 O GLU A 45 -0.680 3.205 9.979 1.00 0.00 O ATOM 706 CB GLU A 45 0.776 5.605 9.227 1.00 0.00 C ATOM 707 CG GLU A 45 0.837 5.667 10.719 1.00 0.00 C ATOM 708 CD GLU A 45 0.514 7.020 11.274 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.348 7.943 11.147 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.557 7.184 11.909 1.00 0.00 O ATOM 0 H GLU A 45 2.229 3.954 6.930 1.00 0.00 H new ATOM 0 HA GLU A 45 2.027 3.891 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.468 6.337 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.224 5.890 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.142 4.937 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.836 5.378 11.046 1.00 0.00 H new ATOM 717 N HIS A 46 -0.169 2.271 8.000 1.00 0.00 N ATOM 718 CA HIS A 46 -1.233 1.339 8.075 1.00 0.00 C ATOM 719 C HIS A 46 -0.849 0.133 8.994 1.00 0.00 C ATOM 720 O HIS A 46 0.163 -0.496 8.829 1.00 0.00 O ATOM 721 CB HIS A 46 -1.714 0.923 6.650 1.00 0.00 C ATOM 722 CG HIS A 46 -2.982 0.136 6.697 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.039 -1.148 7.144 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.257 0.542 6.566 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.314 -1.466 7.324 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.099 -0.483 6.974 1.00 0.00 N ATOM 0 H HIS A 46 0.438 2.162 7.188 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.093 1.813 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.863 1.816 6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.938 0.332 6.163 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.574 1.508 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.658 -2.414 7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.119 -0.471 6.996 1.00 0.00 H new ATOM 734 N PRO A 47 -1.700 -0.195 9.959 1.00 0.00 N ATOM 735 CA PRO A 47 -1.421 -1.211 10.989 1.00 0.00 C ATOM 736 C PRO A 47 -1.208 -2.581 10.455 1.00 0.00 C ATOM 737 O PRO A 47 -0.350 -3.321 10.911 1.00 0.00 O ATOM 738 CB PRO A 47 -2.686 -1.220 11.812 1.00 0.00 C ATOM 739 CG PRO A 47 -3.714 -0.553 11.001 1.00 0.00 C ATOM 740 CD PRO A 47 -3.003 0.399 10.142 1.00 0.00 C ATOM 0 HA PRO A 47 -0.503 -0.963 11.522 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.984 -2.240 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.538 -0.698 12.757 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.269 -1.277 10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.438 -0.040 11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.516 0.536 9.190 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.931 1.381 10.610 1.00 0.00 H new ATOM 748 N ASP A 48 -1.958 -2.891 9.472 1.00 0.00 N ATOM 749 CA ASP A 48 -1.978 -4.199 8.953 1.00 0.00 C ATOM 750 C ASP A 48 -1.413 -4.140 7.594 1.00 0.00 C ATOM 751 O ASP A 48 -1.555 -5.054 6.850 1.00 0.00 O ATOM 752 CB ASP A 48 -3.412 -4.748 8.846 1.00 0.00 C ATOM 753 CG ASP A 48 -4.174 -4.769 10.140 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.081 -5.755 10.880 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.913 -3.792 10.432 1.00 0.00 O ATOM 0 H ASP A 48 -2.582 -2.237 9.000 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.410 -4.851 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.964 -4.146 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.370 -5.762 8.449 1.00 0.00 H new ATOM 760 N GLY A 49 -0.765 -3.024 7.285 1.00 0.00 N ATOM 761 CA GLY A 49 -0.264 -2.773 5.910 1.00 0.00 C ATOM 762 C GLY A 49 0.564 -3.866 5.368 1.00 0.00 C ATOM 763 O GLY A 49 0.327 -4.347 4.255 1.00 0.00 O ATOM 0 H GLY A 49 -0.568 -2.276 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.114 -2.612 5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.320 -1.853 5.909 1.00 0.00 H new ATOM 767 N SER A 50 1.494 -4.274 6.142 1.00 0.00 N ATOM 768 CA SER A 50 2.330 -5.398 5.791 1.00 0.00 C ATOM 769 C SER A 50 1.478 -6.656 5.551 1.00 0.00 C ATOM 770 O SER A 50 1.508 -7.268 4.476 1.00 0.00 O ATOM 771 CB SER A 50 3.361 -5.606 6.901 1.00 0.00 C ATOM 772 OG SER A 50 2.752 -5.492 8.208 1.00 0.00 O ATOM 0 H SER A 50 1.713 -3.850 7.043 1.00 0.00 H new ATOM 0 HA SER A 50 2.856 -5.197 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.820 -6.589 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.159 -4.870 6.803 1.00 0.00 H new ATOM 0 HG SER A 50 2.260 -6.314 8.412 1.00 0.00 H new ATOM 778 N ASP A 51 0.666 -6.952 6.525 1.00 0.00 N ATOM 779 CA ASP A 51 -0.205 -8.091 6.579 1.00 0.00 C ATOM 780 C ASP A 51 -1.225 -8.083 5.459 1.00 0.00 C ATOM 781 O ASP A 51 -1.659 -9.121 5.029 1.00 0.00 O ATOM 782 CB ASP A 51 -0.877 -8.115 7.948 1.00 0.00 C ATOM 783 CG ASP A 51 0.136 -8.297 9.056 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.924 -7.338 9.333 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.206 -9.382 9.659 1.00 0.00 O ATOM 0 H ASP A 51 0.590 -6.366 7.356 1.00 0.00 H new ATOM 0 HA ASP A 51 0.382 -8.999 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.425 -7.185 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.606 -8.924 7.983 1.00 0.00 H new ATOM 790 N LEU A 52 -1.555 -6.903 4.957 1.00 0.00 N ATOM 791 CA LEU A 52 -2.481 -6.742 3.845 1.00 0.00 C ATOM 792 C LEU A 52 -1.964 -7.441 2.626 1.00 0.00 C ATOM 793 O LEU A 52 -2.730 -8.020 1.858 1.00 0.00 O ATOM 794 CB LEU A 52 -2.683 -5.270 3.469 1.00 0.00 C ATOM 795 CG LEU A 52 -3.316 -4.353 4.493 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.508 -2.988 3.882 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.637 -4.916 4.997 1.00 0.00 C ATOM 0 H LEU A 52 -1.185 -6.022 5.313 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.428 -7.169 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.709 -4.856 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.296 -5.237 2.568 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.654 -4.272 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.964 -2.322 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.541 -2.586 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.158 -3.068 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.067 -4.234 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.327 -5.030 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.465 -5.887 5.461 1.00 0.00 H new ATOM 809 N ILE A 53 -0.676 -7.391 2.455 1.00 0.00 N ATOM 810 CA ILE A 53 -0.041 -7.977 1.285 1.00 0.00 C ATOM 811 C ILE A 53 0.016 -9.476 1.466 1.00 0.00 C ATOM 812 O ILE A 53 -0.106 -10.256 0.514 1.00 0.00 O ATOM 813 CB ILE A 53 1.391 -7.422 1.137 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.341 -5.892 1.128 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.064 -7.956 -0.142 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.687 -5.244 1.224 1.00 0.00 C ATOM 0 H ILE A 53 -0.030 -6.950 3.110 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.613 -7.729 0.391 1.00 0.00 H new ATOM 0 HB ILE A 53 1.990 -7.757 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.852 -5.559 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.724 -5.553 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.072 -7.548 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.115 -9.044 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.482 -7.654 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.571 -4.160 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.171 -5.547 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.301 -5.553 0.378 1.00 0.00 H new ATOM 828 N TYR A 54 0.112 -9.855 2.707 1.00 0.00 N ATOM 829 CA TYR A 54 0.297 -11.216 3.093 1.00 0.00 C ATOM 830 C TYR A 54 -1.003 -12.010 3.173 1.00 0.00 C ATOM 831 O TYR A 54 -0.999 -13.205 2.887 1.00 0.00 O ATOM 832 CB TYR A 54 1.084 -11.274 4.396 1.00 0.00 C ATOM 833 CG TYR A 54 2.472 -10.669 4.276 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.294 -10.951 3.185 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.939 -9.784 5.221 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.535 -10.364 3.059 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.171 -9.190 5.096 1.00 0.00 C ATOM 838 CZ TYR A 54 4.966 -9.478 4.018 1.00 0.00 C ATOM 839 OH TYR A 54 6.207 -8.876 3.905 1.00 0.00 O ATOM 0 H TYR A 54 0.062 -9.208 3.494 1.00 0.00 H new ATOM 0 HA TYR A 54 0.872 -11.704 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.530 -10.748 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.172 -12.312 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.953 -11.640 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.324 -9.552 6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.164 -10.598 2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.514 -8.495 5.848 1.00 0.00 H new ATOM 0 HH TYR A 54 6.489 -8.882 2.967 1.00 0.00 H new ATOM 849 N TYR A 55 -2.094 -11.370 3.556 1.00 0.00 N ATOM 850 CA TYR A 55 -3.370 -12.029 3.659 1.00 0.00 C ATOM 851 C TYR A 55 -4.501 -10.996 3.762 1.00 0.00 C ATOM 852 O TYR A 55 -4.312 -9.903 4.299 1.00 0.00 O ATOM 853 CB TYR A 55 -3.403 -12.995 4.868 1.00 0.00 C ATOM 854 CG TYR A 55 -3.283 -12.334 6.216 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.079 -11.811 6.659 1.00 0.00 C ATOM 856 CD2 TYR A 55 -4.383 -12.235 7.045 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.974 -11.217 7.875 1.00 0.00 C ATOM 858 CE2 TYR A 55 -4.292 -11.636 8.277 1.00 0.00 C ATOM 859 CZ TYR A 55 -3.085 -11.130 8.693 1.00 0.00 C ATOM 860 OH TYR A 55 -2.994 -10.519 9.926 1.00 0.00 O ATOM 0 H TYR A 55 -2.113 -10.380 3.802 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.519 -12.619 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.336 -13.558 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.592 -13.715 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.207 -11.877 6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.331 -12.636 6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.027 -10.814 8.202 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.162 -11.563 8.913 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.868 -10.544 10.369 1.00 0.00 H new ATOM 870 N PRO A 56 -5.660 -11.302 3.195 1.00 0.00 N ATOM 871 CA PRO A 56 -6.845 -10.448 3.283 1.00 0.00 C ATOM 872 C PRO A 56 -7.529 -10.533 4.650 1.00 0.00 C ATOM 873 O PRO A 56 -7.314 -11.490 5.414 1.00 0.00 O ATOM 874 CB PRO A 56 -7.764 -11.032 2.210 1.00 0.00 C ATOM 875 CG PRO A 56 -7.384 -12.468 2.151 1.00 0.00 C ATOM 876 CD PRO A 56 -5.905 -12.501 2.381 1.00 0.00 C ATOM 0 HA PRO A 56 -6.599 -9.395 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.814 -10.908 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.617 -10.541 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.912 -13.045 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.641 -12.902 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.599 -13.409 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.352 -12.469 1.442 1.00 0.00 H new ATOM 884 N ARG A 57 -8.347 -9.533 4.958 1.00 0.00 N ATOM 885 CA ARG A 57 -9.116 -9.538 6.184 1.00 0.00 C ATOM 886 C ARG A 57 -10.323 -10.473 6.040 1.00 0.00 C ATOM 887 O ARG A 57 -10.183 -11.692 6.049 1.00 0.00 O ATOM 888 CB ARG A 57 -9.599 -8.135 6.592 1.00 0.00 C ATOM 889 CG ARG A 57 -8.561 -7.056 6.777 1.00 0.00 C ATOM 890 CD ARG A 57 -9.216 -5.868 7.468 1.00 0.00 C ATOM 891 NE ARG A 57 -8.516 -4.603 7.266 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.762 -3.972 8.168 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.309 -4.618 9.224 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.429 -2.694 7.968 1.00 0.00 N ATOM 0 H ARG A 57 -8.491 -8.711 4.372 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.452 -9.894 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.306 -7.792 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.152 -8.231 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.729 -7.429 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.152 -6.755 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.239 -5.768 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.277 -6.071 8.537 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.612 -4.161 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.535 -5.604 9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.733 -4.132 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.751 -2.208 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.853 -2.204 8.652 1.00 0.00 H new ATOM 908 N ASP A 58 -11.489 -9.899 5.885 1.00 0.00 N ATOM 909 CA ASP A 58 -12.699 -10.684 5.682 1.00 0.00 C ATOM 910 C ASP A 58 -13.330 -10.329 4.347 1.00 0.00 C ATOM 911 O ASP A 58 -13.360 -11.135 3.434 1.00 0.00 O ATOM 912 CB ASP A 58 -13.701 -10.467 6.817 1.00 0.00 C ATOM 913 CG ASP A 58 -14.887 -11.405 6.721 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.811 -12.530 7.265 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.914 -11.040 6.120 1.00 0.00 O ATOM 0 H ASP A 58 -11.635 -8.890 5.894 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.422 -11.738 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.201 -10.614 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.053 -9.436 6.796 1.00 0.00 H new ATOM 920 N ASP A 59 -13.779 -9.091 4.229 1.00 0.00 N ATOM 921 CA ASP A 59 -14.416 -8.591 2.997 1.00 0.00 C ATOM 922 C ASP A 59 -13.373 -8.033 2.064 1.00 0.00 C ATOM 923 O ASP A 59 -13.642 -7.753 0.905 1.00 0.00 O ATOM 924 CB ASP A 59 -15.414 -7.468 3.301 1.00 0.00 C ATOM 925 CG ASP A 59 -16.548 -7.877 4.189 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.555 -8.414 3.682 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.484 -7.617 5.410 1.00 0.00 O ATOM 0 H ASP A 59 -13.718 -8.397 4.974 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.937 -9.432 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.881 -6.641 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.820 -7.094 2.361 1.00 0.00 H new ATOM 932 N ARG A 60 -12.199 -7.824 2.607 1.00 0.00 N ATOM 933 CA ARG A 60 -11.071 -7.283 1.896 1.00 0.00 C ATOM 934 C ARG A 60 -10.727 -8.189 0.755 1.00 0.00 C ATOM 935 O ARG A 60 -10.457 -9.375 0.945 1.00 0.00 O ATOM 936 CB ARG A 60 -9.924 -7.218 2.861 1.00 0.00 C ATOM 937 CG ARG A 60 -8.823 -6.203 2.611 1.00 0.00 C ATOM 938 CD ARG A 60 -8.047 -6.374 1.305 1.00 0.00 C ATOM 939 NE ARG A 60 -7.268 -7.629 1.213 1.00 0.00 N ATOM 940 CZ ARG A 60 -5.943 -7.693 1.390 1.00 0.00 C ATOM 941 NH1 ARG A 60 -5.311 -6.689 1.966 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.242 -8.758 1.012 1.00 0.00 N ATOM 0 H ARG A 60 -11.998 -8.032 3.585 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.293 -6.292 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.335 -7.024 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.463 -8.205 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.264 -5.206 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.117 -6.249 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.749 -6.335 0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.367 -5.530 1.188 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.768 -8.493 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.832 -5.868 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.301 -6.733 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.714 -9.550 0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.233 -8.782 1.158 1.00 0.00 H new ATOM 956 N GLU A 61 -10.709 -7.632 -0.388 1.00 0.00 N ATOM 957 CA GLU A 61 -10.418 -8.394 -1.588 1.00 0.00 C ATOM 958 C GLU A 61 -8.931 -8.577 -1.712 1.00 0.00 C ATOM 959 O GLU A 61 -8.162 -7.622 -1.575 1.00 0.00 O ATOM 960 CB GLU A 61 -11.003 -7.757 -2.850 1.00 0.00 C ATOM 961 CG GLU A 61 -10.783 -8.598 -4.107 1.00 0.00 C ATOM 962 CD GLU A 61 -11.267 -10.027 -3.944 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.470 -10.278 -4.100 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.443 -10.919 -3.639 1.00 0.00 O ATOM 0 H GLU A 61 -10.891 -6.641 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.900 -9.367 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.072 -7.601 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.554 -6.775 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.304 -8.135 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.722 -8.604 -4.355 1.00 0.00 H new ATOM 971 N ASP A 62 -8.523 -9.779 -1.965 1.00 0.00 N ATOM 972 CA ASP A 62 -7.130 -10.094 -1.983 1.00 0.00 C ATOM 973 C ASP A 62 -6.539 -9.889 -3.354 1.00 0.00 C ATOM 974 O ASP A 62 -6.365 -10.835 -4.137 1.00 0.00 O ATOM 975 CB ASP A 62 -6.866 -11.499 -1.482 1.00 0.00 C ATOM 976 CG ASP A 62 -5.408 -11.738 -1.258 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.828 -11.032 -0.421 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.820 -12.637 -1.900 1.00 0.00 O ATOM 0 H ASP A 62 -9.141 -10.566 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.636 -9.404 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.409 -11.662 -0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.247 -12.221 -2.204 1.00 0.00 H new ATOM 983 N SER A 63 -6.335 -8.660 -3.678 1.00 0.00 N ATOM 984 CA SER A 63 -5.726 -8.293 -4.901 1.00 0.00 C ATOM 985 C SER A 63 -4.954 -7.023 -4.649 1.00 0.00 C ATOM 986 O SER A 63 -5.254 -6.330 -3.664 1.00 0.00 O ATOM 987 CB SER A 63 -6.825 -8.056 -5.950 1.00 0.00 C ATOM 988 OG SER A 63 -7.723 -7.026 -5.533 1.00 0.00 O ATOM 0 H SER A 63 -6.593 -7.870 -3.087 1.00 0.00 H new ATOM 0 HA SER A 63 -5.058 -9.071 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.370 -7.782 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.379 -8.980 -6.116 1.00 0.00 H new ATOM 0 HG SER A 63 -8.411 -6.894 -6.219 1.00 0.00 H new ATOM 994 N PRO A 64 -3.915 -6.725 -5.457 1.00 0.00 N ATOM 995 CA PRO A 64 -3.213 -5.439 -5.415 1.00 0.00 C ATOM 996 C PRO A 64 -4.213 -4.263 -5.300 1.00 0.00 C ATOM 997 O PRO A 64 -4.028 -3.351 -4.490 1.00 0.00 O ATOM 998 CB PRO A 64 -2.490 -5.431 -6.775 1.00 0.00 C ATOM 999 CG PRO A 64 -2.129 -6.854 -6.978 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.284 -7.653 -6.424 1.00 0.00 C ATOM 0 HA PRO A 64 -2.545 -5.324 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.136 -5.062 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.608 -4.791 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.974 -7.071 -8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.200 -7.099 -6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.980 -7.949 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.943 -8.568 -5.939 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.291 -4.345 -6.067 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.358 -3.356 -6.046 1.00 0.00 C ATOM 1010 C GLU A 65 -7.073 -3.306 -4.685 1.00 0.00 C ATOM 1011 O GLU A 65 -7.266 -2.220 -4.123 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.339 -3.631 -7.186 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.730 -3.405 -8.564 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.510 -4.047 -9.672 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.437 -3.424 -10.210 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.185 -5.191 -10.045 1.00 0.00 O ATOM 0 H GLU A 65 -5.450 -5.106 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.914 -2.372 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.691 -4.660 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.211 -2.987 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.661 -2.333 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.713 -3.796 -8.572 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.423 -4.467 -4.147 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.133 -4.528 -2.875 1.00 0.00 C ATOM 1025 C GLY A 66 -7.284 -4.108 -1.683 1.00 0.00 C ATOM 1026 O GLY A 66 -7.804 -3.590 -0.686 1.00 0.00 O ATOM 0 H GLY A 66 -7.228 -5.375 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.013 -3.886 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.490 -5.546 -2.716 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.996 -4.335 -1.776 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.052 -3.966 -0.728 1.00 0.00 C ATOM 1032 C ILE A 67 -4.978 -2.440 -0.574 1.00 0.00 C ATOM 1033 O ILE A 67 -5.111 -1.903 0.518 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.655 -4.589 -1.020 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.769 -6.124 -0.929 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.588 -4.049 -0.063 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.539 -6.893 -1.340 1.00 0.00 C ATOM 0 H ILE A 67 -5.562 -4.783 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.403 -4.368 0.222 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.339 -4.309 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.017 -6.392 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.603 -6.446 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.626 -4.505 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.513 -2.967 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.865 -4.289 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.727 -7.962 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.297 -6.665 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.702 -6.609 -0.702 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.807 -1.771 -1.675 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.779 -0.314 -1.744 1.00 0.00 C ATOM 1051 C VAL A 68 -6.145 0.271 -1.385 1.00 0.00 C ATOM 1052 O VAL A 68 -6.242 1.346 -0.771 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.356 0.116 -3.152 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.259 1.635 -3.276 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.036 -0.520 -3.446 1.00 0.00 C ATOM 0 H VAL A 68 -4.678 -2.221 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.057 0.066 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.108 -0.207 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.956 1.899 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.230 2.080 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.521 2.012 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.708 -0.232 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.301 -0.189 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.135 -1.604 -3.396 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.189 -0.462 -1.730 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.538 -0.073 -1.396 1.00 0.00 C ATOM 1067 C LYS A 69 -8.683 -0.062 0.137 1.00 0.00 C ATOM 1068 O LYS A 69 -9.330 0.815 0.711 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.549 -1.038 -2.077 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.007 -0.585 -2.046 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.649 -0.788 -0.688 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.967 -0.054 -0.595 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.960 -0.560 -1.556 1.00 0.00 N ATOM 0 H LYS A 69 -7.121 -1.339 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.754 0.929 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.251 -1.176 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.478 -2.012 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.062 0.469 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.572 -1.137 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.808 -1.852 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.976 -0.434 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.362 -0.150 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.801 1.008 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.866 -0.072 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.626 -0.384 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.090 -1.582 -1.415 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.048 -1.012 0.779 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.045 -1.092 2.221 1.00 0.00 C ATOM 1089 C GLU A 70 -7.301 0.119 2.807 1.00 0.00 C ATOM 1090 O GLU A 70 -7.785 0.744 3.761 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.388 -2.404 2.653 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.310 -2.634 4.151 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.650 -2.740 4.829 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.446 -3.619 4.474 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.902 -1.995 5.793 1.00 0.00 O ATOM 0 H GLU A 70 -7.519 -1.752 0.318 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.068 -1.076 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.939 -3.231 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.378 -2.436 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.747 -3.548 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.750 -1.816 4.604 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.151 0.480 2.183 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.334 1.615 2.653 1.00 0.00 C ATOM 1104 C ILE A 71 -6.164 2.880 2.649 1.00 0.00 C ATOM 1105 O ILE A 71 -6.217 3.591 3.664 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.078 1.932 1.761 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.205 0.711 1.457 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.226 3.026 2.407 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.594 0.022 2.624 1.00 0.00 C ATOM 0 H ILE A 71 -5.776 0.004 1.362 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.995 1.315 3.645 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.475 2.275 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.810 -0.014 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.403 1.024 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.361 3.233 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.821 3.933 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.888 2.692 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.001 -0.824 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.952 0.719 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.381 -0.334 3.289 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.832 3.159 1.506 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.572 4.351 1.367 1.00 0.00 C ATOM 1123 C LYS A 72 -8.663 4.413 2.371 1.00 0.00 C ATOM 1124 O LYS A 72 -8.647 5.281 3.165 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.102 4.564 -0.062 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.216 3.638 -0.495 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.433 3.652 -1.997 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.985 4.989 -2.468 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.352 5.239 -1.966 1.00 0.00 N ATOM 0 H LYS A 72 -6.850 2.549 0.688 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.885 5.175 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.455 5.592 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.271 4.452 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.985 2.622 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.140 3.928 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.490 3.448 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.123 2.855 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.325 5.790 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.990 5.014 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.679 6.168 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.992 4.500 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.348 5.225 -0.926 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.529 3.409 2.423 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.701 3.490 3.261 1.00 0.00 C ATOM 1145 C GLU A 73 -10.376 3.586 4.726 1.00 0.00 C ATOM 1146 O GLU A 73 -11.110 4.214 5.476 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.682 2.372 2.989 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.261 2.404 1.594 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.818 3.757 1.223 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.860 4.166 1.767 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.216 4.445 0.396 1.00 0.00 O ATOM 0 H GLU A 73 -9.437 2.540 1.897 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.187 4.427 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.183 1.416 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.495 2.429 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.488 2.126 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.051 1.657 1.516 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.270 3.008 5.124 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.871 3.075 6.497 1.00 0.00 C ATOM 1160 C TRP A 74 -8.359 4.482 6.799 1.00 0.00 C ATOM 1161 O TRP A 74 -8.882 5.171 7.674 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.798 2.030 6.785 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.420 1.909 8.227 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.083 1.212 9.192 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.277 2.482 8.861 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.417 1.315 10.383 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.307 2.085 10.206 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.232 3.289 8.417 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.330 2.464 11.107 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.259 3.670 9.309 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.313 3.253 10.641 1.00 0.00 C ATOM 0 H TRP A 74 -8.636 2.489 4.516 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.725 2.862 7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.149 1.060 6.432 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.906 2.275 6.208 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.999 0.660 9.039 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.705 0.885 11.262 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.187 3.610 7.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.367 2.150 12.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.445 4.298 8.977 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.532 3.561 11.321 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.396 4.943 6.015 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.791 6.245 6.249 1.00 0.00 C ATOM 1184 C ARG A 75 -7.793 7.360 5.995 1.00 0.00 C ATOM 1185 O ARG A 75 -7.854 8.333 6.740 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.539 6.447 5.402 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.506 5.362 5.596 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.169 5.735 5.020 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.249 6.326 3.686 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.402 7.255 3.235 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.446 7.726 4.041 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.542 7.744 1.997 1.00 0.00 N ATOM 0 H ARG A 75 -7.018 4.437 5.214 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.490 6.280 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.822 6.486 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.094 7.411 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.395 5.156 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.857 4.442 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.678 6.440 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.541 4.845 4.977 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.994 6.011 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.366 7.376 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.797 8.435 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.296 7.407 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.895 8.453 1.653 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.607 7.167 4.983 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.648 8.101 4.576 1.00 0.00 C ATOM 1208 C ALA A 76 -10.690 8.269 5.687 1.00 0.00 C ATOM 1209 O ALA A 76 -11.250 9.347 5.870 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.313 7.609 3.260 1.00 0.00 C ATOM 0 H ALA A 76 -8.567 6.332 4.398 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.196 9.076 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.091 8.312 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.560 7.544 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.755 6.626 3.421 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.908 7.210 6.463 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.895 7.234 7.529 1.00 0.00 C ATOM 1218 C ALA A 77 -11.283 7.849 8.753 1.00 0.00 C ATOM 1219 O ALA A 77 -11.918 8.599 9.489 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.389 5.833 7.835 1.00 0.00 C ATOM 0 H ALA A 77 -10.411 6.324 6.370 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.750 7.830 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.127 5.874 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.846 5.405 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.550 5.211 8.147 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.018 7.539 8.935 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.226 7.992 10.064 1.00 0.00 C ATOM 1228 C ASN A 78 -8.897 9.476 9.978 1.00 0.00 C ATOM 1229 O ASN A 78 -8.465 10.080 10.954 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.916 7.201 10.142 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.013 5.787 10.712 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.041 5.292 11.280 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.141 5.135 10.583 1.00 0.00 N ATOM 0 H ASN A 78 -9.496 6.950 8.287 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.826 7.825 10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.494 7.137 9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.210 7.767 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.230 4.191 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.931 5.571 10.107 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.065 10.045 8.811 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.733 11.436 8.628 1.00 0.00 C ATOM 1242 C GLY A 79 -7.259 11.598 8.399 1.00 0.00 C ATOM 1243 O GLY A 79 -6.673 12.642 8.690 1.00 0.00 O ATOM 0 H GLY A 79 -9.426 9.573 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.285 11.839 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.036 12.007 9.506 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.660 10.552 7.891 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.282 10.521 7.599 1.00 0.00 C ATOM 1249 C LYS A 80 -5.051 10.959 6.162 1.00 0.00 C ATOM 1250 O LYS A 80 -5.977 11.443 5.498 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.747 9.129 7.831 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.649 8.731 9.294 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.164 7.308 9.418 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.779 6.932 10.852 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.906 6.886 11.811 1.00 0.00 N ATOM 0 H LYS A 80 -7.146 9.683 7.669 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.751 11.210 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.389 8.415 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.758 9.053 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.966 9.402 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.623 8.833 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.944 6.632 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.302 7.165 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.294 5.956 10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.042 7.649 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.556 6.591 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.337 7.829 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.618 6.205 11.478 1.00 0.00 H new ATOM 1269 N SER A 81 -3.851 10.775 5.689 1.00 0.00 N ATOM 1270 CA SER A 81 -3.453 11.216 4.381 1.00 0.00 C ATOM 1271 C SER A 81 -4.180 10.424 3.271 1.00 0.00 C ATOM 1272 O SER A 81 -4.765 9.342 3.513 1.00 0.00 O ATOM 1273 CB SER A 81 -1.933 11.072 4.278 1.00 0.00 C ATOM 1274 OG SER A 81 -1.397 11.652 3.098 1.00 0.00 O ATOM 0 H SER A 81 -3.109 10.307 6.210 1.00 0.00 H new ATOM 0 HA SER A 81 -3.734 12.260 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.470 11.539 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.671 10.014 4.307 1.00 0.00 H new ATOM 0 HG SER A 81 -0.424 11.532 3.087 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.140 10.955 2.081 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.776 10.348 0.961 1.00 0.00 C ATOM 1282 C GLY A 82 -3.847 10.294 -0.216 1.00 0.00 C ATOM 1283 O GLY A 82 -2.745 10.839 -0.152 1.00 0.00 O ATOM 0 H GLY A 82 -3.659 11.829 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.098 9.340 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.672 10.910 0.697 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.249 9.620 -1.261 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.468 9.559 -2.453 1.00 0.00 C ATOM 1289 C PHE A 83 -3.947 10.628 -3.385 1.00 0.00 C ATOM 1290 O PHE A 83 -5.009 11.225 -3.172 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.645 8.220 -3.169 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.450 7.014 -2.308 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.193 6.682 -1.886 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.523 6.205 -1.925 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -1.985 5.579 -1.105 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.313 5.093 -1.139 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.038 4.784 -0.726 1.00 0.00 C ATOM 0 H PHE A 83 -5.126 9.101 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.420 9.686 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.646 8.184 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.941 8.173 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.354 7.298 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.524 6.453 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.984 5.331 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.145 4.468 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.866 3.918 -0.105 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.188 10.876 -4.394 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.595 11.745 -5.436 1.00 0.00 C ATOM 1309 C LYS A 84 -4.529 10.953 -6.331 1.00 0.00 C ATOM 1310 O LYS A 84 -4.327 9.753 -6.545 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.356 12.215 -6.192 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.610 13.098 -7.401 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.295 13.573 -8.015 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.422 12.408 -8.472 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.828 12.851 -9.108 1.00 0.00 N ATOM 0 H LYS A 84 -2.258 10.476 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.112 12.629 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.715 12.759 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.799 11.337 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.185 12.546 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.211 13.959 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.506 14.223 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.749 14.170 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.185 11.778 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.984 11.792 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.383 12.021 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.606 13.430 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.380 13.416 -8.432 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.546 11.571 -6.803 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.472 10.894 -7.654 1.00 0.00 C ATOM 1331 C GLN A 85 -6.362 11.425 -9.051 1.00 0.00 C ATOM 1332 O GLN A 85 -6.271 12.641 -9.268 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.940 10.932 -7.144 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.551 12.321 -6.956 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.039 13.043 -5.731 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.709 12.428 -4.725 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.932 14.330 -5.820 1.00 0.00 N ATOM 0 H GLN A 85 -5.766 12.550 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.197 9.839 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.562 10.376 -7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.986 10.405 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.340 12.925 -7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.635 12.226 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.217 14.808 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.562 14.866 -5.035 1.00 0.00 H new ATOM 1346 N GLY A 86 -6.282 10.534 -9.966 1.00 0.00 N ATOM 1347 CA GLY A 86 -6.233 10.866 -11.340 1.00 0.00 C ATOM 1348 C GLY A 86 -6.592 9.666 -12.140 1.00 0.00 C ATOM 1349 O GLY A 86 -7.182 9.805 -13.214 1.00 0.00 O ATOM 1350 OXT GLY A 86 -6.303 8.529 -11.674 1.00 0.00 O ATOM 0 H GLY A 86 -6.248 9.532 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.923 11.682 -11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.235 11.213 -11.608 1.00 0.00 H new