USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 935 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 91 ASN : amide:sc= 1.02 K(o=1.3,f=-7.7!) USER MOD Set 1.2: A 93 SER OG : rot 83:sc= 0.315 USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -2.32! USER MOD Single : A 33 THR OG1 : rot -52:sc= 0.324 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0.457 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc=-0.00732 (180deg=-0.11) USER MOD Single : A 43 SER OG : rot 71:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0465 (180deg=-0.306) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.029) USER MOD Single : A 62 ASN : amide:sc= -3.34! K(o=-3.3!,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.869) USER MOD Single : A 65 MET CE :methyl 142:sc= -0.201 (180deg=-2.27!) USER MOD Single : A 67 MET CE :methyl 159:sc= -0.0678 (180deg=-0.476) USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= -1.17 (180deg=-3.4!) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0152 (180deg=-0.156) USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 1.14 (180deg=0.707) USER MOD Single : A 79 TYR OH : rot 150:sc= -0.0037 USER MOD Single : A 82 HIS : no HD1:sc=-0.00814 X(o=-0.0081,f=-0.0081) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 169:sc=-0.00943 (180deg=-0.148) USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 2.52 (180deg=2.14) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.518 0.773 10.071 1.00 0.00 N ATOM 51 CA GLY A 5 11.897 0.367 8.829 1.00 0.00 C ATOM 52 C GLY A 5 10.498 0.918 8.655 1.00 0.00 C ATOM 53 O GLY A 5 10.180 2.007 9.140 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.517 0.697 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.860 -0.722 8.787 1.00 0.00 H new ATOM 57 N ILE A 6 9.665 0.163 7.955 1.00 0.00 N ATOM 58 CA ILE A 6 8.300 0.574 7.672 1.00 0.00 C ATOM 59 C ILE A 6 7.376 0.168 8.816 1.00 0.00 C ATOM 60 O ILE A 6 7.496 -0.932 9.362 1.00 0.00 O ATOM 61 CB ILE A 6 7.799 -0.064 6.359 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.800 0.181 5.224 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.431 0.484 5.985 1.00 0.00 C ATOM 64 CD1 ILE A 6 8.888 1.626 4.777 1.00 0.00 C ATOM 0 H ILE A 6 9.915 -0.747 7.569 1.00 0.00 H new ATOM 0 HA ILE A 6 8.290 1.659 7.566 1.00 0.00 H new ATOM 0 HB ILE A 6 7.709 -1.139 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.787 -0.149 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.522 -0.436 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.095 0.022 5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.720 0.260 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.496 1.564 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.618 1.714 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.912 1.957 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.197 2.248 5.617 1.00 0.00 H new ATOM 76 N ALA A 7 6.463 1.058 9.174 1.00 0.00 N ATOM 77 CA ALA A 7 5.504 0.795 10.231 1.00 0.00 C ATOM 78 C ALA A 7 4.092 0.788 9.665 1.00 0.00 C ATOM 79 O ALA A 7 3.573 1.828 9.252 1.00 0.00 O ATOM 80 CB ALA A 7 5.634 1.833 11.335 1.00 0.00 C ATOM 0 H ALA A 7 6.368 1.977 8.742 1.00 0.00 H new ATOM 0 HA ALA A 7 5.712 -0.186 10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.908 1.622 12.120 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.640 1.797 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.447 2.826 10.925 1.00 0.00 H new ATOM 86 N PHE A 8 3.488 -0.389 9.618 1.00 0.00 N ATOM 87 CA PHE A 8 2.147 -0.541 9.083 1.00 0.00 C ATOM 88 C PHE A 8 1.111 -0.639 10.194 1.00 0.00 C ATOM 89 O PHE A 8 1.375 -1.189 11.265 1.00 0.00 O ATOM 90 CB PHE A 8 2.063 -1.794 8.213 1.00 0.00 C ATOM 91 CG PHE A 8 2.667 -1.647 6.845 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.040 -0.878 5.878 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.852 -2.284 6.521 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.582 -0.749 4.615 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.399 -2.160 5.258 1.00 0.00 C ATOM 96 CZ PHE A 8 3.766 -1.390 4.305 1.00 0.00 C ATOM 0 H PHE A 8 3.910 -1.258 9.947 1.00 0.00 H new ATOM 0 HA PHE A 8 1.934 0.344 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.562 -2.614 8.730 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.016 -2.076 8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.115 -0.373 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.355 -2.885 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.081 -0.148 3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.322 -2.666 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.195 -1.288 3.319 1.00 0.00 H new ATOM 106 N ARG A 9 -0.070 -0.107 9.927 1.00 0.00 N ATOM 107 CA ARG A 9 -1.199 -0.237 10.835 1.00 0.00 C ATOM 108 C ARG A 9 -2.231 -1.182 10.226 1.00 0.00 C ATOM 109 O ARG A 9 -2.366 -1.252 9.003 1.00 0.00 O ATOM 110 CB ARG A 9 -1.820 1.138 11.119 1.00 0.00 C ATOM 111 CG ARG A 9 -2.201 1.902 9.862 1.00 0.00 C ATOM 112 CD ARG A 9 -1.518 3.260 9.799 1.00 0.00 C ATOM 113 NE ARG A 9 -2.118 4.227 10.714 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.528 5.360 11.096 1.00 0.00 C ATOM 115 NH1 ARG A 9 -0.284 5.625 10.722 1.00 0.00 N ATOM 116 NH2 ARG A 9 -2.176 6.225 11.865 1.00 0.00 N ATOM 0 H ARG A 9 -0.273 0.424 9.080 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.855 -0.651 11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.708 1.006 11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.114 1.734 11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.928 1.317 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.282 2.037 9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.461 3.144 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.573 3.645 8.781 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.046 4.023 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.226 4.961 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.163 6.493 11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.130 6.025 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.721 7.090 12.155 1.00 0.00 H new ATOM 130 N GLU A 10 -2.934 -1.928 11.067 1.00 0.00 N ATOM 131 CA GLU A 10 -3.929 -2.880 10.586 1.00 0.00 C ATOM 132 C GLU A 10 -5.308 -2.563 11.153 1.00 0.00 C ATOM 133 O GLU A 10 -5.641 -2.960 12.271 1.00 0.00 O ATOM 134 CB GLU A 10 -3.526 -4.312 10.947 1.00 0.00 C ATOM 135 CG GLU A 10 -2.275 -4.788 10.225 1.00 0.00 C ATOM 136 CD GLU A 10 -1.845 -6.175 10.651 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.297 -7.166 10.034 1.00 0.00 O ATOM 138 OE2 GLU A 10 -1.052 -6.285 11.609 1.00 0.00 O ATOM 0 H GLU A 10 -2.835 -1.894 12.082 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.976 -2.793 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.362 -4.375 12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.351 -4.984 10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.457 -4.783 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.463 -4.086 10.414 1.00 0.00 H new ATOM 145 N LEU A 11 -6.089 -1.820 10.380 1.00 0.00 N ATOM 146 CA LEU A 11 -7.437 -1.434 10.765 1.00 0.00 C ATOM 147 C LEU A 11 -8.433 -1.821 9.673 1.00 0.00 C ATOM 148 O LEU A 11 -8.040 -2.167 8.557 1.00 0.00 O ATOM 149 CB LEU A 11 -7.516 0.077 11.013 1.00 0.00 C ATOM 150 CG LEU A 11 -7.029 0.571 12.383 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.670 -0.230 13.506 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.512 0.517 12.480 1.00 0.00 C ATOM 0 H LEU A 11 -5.803 -1.468 9.466 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.689 -1.960 11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.933 0.581 10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.552 0.390 10.886 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.334 1.612 12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.310 0.138 14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.753 -0.121 13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.407 -1.282 13.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.197 0.873 13.461 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.175 -0.510 12.341 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.075 1.150 11.707 1.00 0.00 H new ATOM 164 N SER A 12 -9.717 -1.762 10.001 1.00 0.00 N ATOM 165 CA SER A 12 -10.771 -2.064 9.041 1.00 0.00 C ATOM 166 C SER A 12 -10.962 -0.907 8.053 1.00 0.00 C ATOM 167 O SER A 12 -10.571 0.231 8.334 1.00 0.00 O ATOM 168 CB SER A 12 -12.083 -2.355 9.776 1.00 0.00 C ATOM 169 OG SER A 12 -11.906 -3.358 10.768 1.00 0.00 O ATOM 0 H SER A 12 -10.055 -1.507 10.929 1.00 0.00 H new ATOM 0 HA SER A 12 -10.476 -2.948 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.453 -1.441 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.840 -2.677 9.061 1.00 0.00 H new ATOM 0 HG SER A 12 -12.758 -3.523 11.223 1.00 0.00 H new ATOM 175 N PHE A 13 -11.569 -1.206 6.905 1.00 0.00 N ATOM 176 CA PHE A 13 -11.802 -0.213 5.853 1.00 0.00 C ATOM 177 C PHE A 13 -12.505 1.049 6.383 1.00 0.00 C ATOM 178 O PHE A 13 -12.016 2.158 6.152 1.00 0.00 O ATOM 179 CB PHE A 13 -12.600 -0.834 4.699 1.00 0.00 C ATOM 180 CG PHE A 13 -12.904 0.129 3.586 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.925 0.493 2.677 1.00 0.00 C ATOM 182 CD2 PHE A 13 -14.172 0.673 3.451 1.00 0.00 C ATOM 183 CE1 PHE A 13 -12.204 1.379 1.656 1.00 0.00 C ATOM 184 CE2 PHE A 13 -14.456 1.561 2.432 1.00 0.00 C ATOM 185 CZ PHE A 13 -13.470 1.914 1.533 1.00 0.00 C ATOM 0 H PHE A 13 -11.912 -2.139 6.677 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.826 0.100 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.040 -1.677 4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.537 -1.231 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.932 0.079 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.947 0.399 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.431 1.654 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.448 1.978 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.689 2.608 0.735 1.00 0.00 H new ATOM 195 N PRO A 14 -13.662 0.916 7.082 1.00 0.00 N ATOM 196 CA PRO A 14 -14.348 2.066 7.687 1.00 0.00 C ATOM 197 C PRO A 14 -13.407 2.960 8.493 1.00 0.00 C ATOM 198 O PRO A 14 -13.386 4.178 8.311 1.00 0.00 O ATOM 199 CB PRO A 14 -15.377 1.418 8.612 1.00 0.00 C ATOM 200 CG PRO A 14 -15.671 0.095 7.997 1.00 0.00 C ATOM 201 CD PRO A 14 -14.413 -0.341 7.296 1.00 0.00 C ATOM 0 HA PRO A 14 -14.778 2.720 6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.983 1.305 9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.278 2.027 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.962 -0.630 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.500 0.170 7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.844 -1.047 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.635 -0.838 6.352 1.00 0.00 H new ATOM 209 N GLU A 15 -12.628 2.348 9.376 1.00 0.00 N ATOM 210 CA GLU A 15 -11.657 3.075 10.184 1.00 0.00 C ATOM 211 C GLU A 15 -10.614 3.763 9.313 1.00 0.00 C ATOM 212 O GLU A 15 -10.308 4.936 9.512 1.00 0.00 O ATOM 213 CB GLU A 15 -10.956 2.128 11.154 1.00 0.00 C ATOM 214 CG GLU A 15 -11.804 1.730 12.350 1.00 0.00 C ATOM 215 CD GLU A 15 -12.245 2.923 13.169 1.00 0.00 C ATOM 216 OE1 GLU A 15 -11.401 3.507 13.879 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.438 3.290 13.111 1.00 0.00 O ATOM 0 H GLU A 15 -12.650 1.343 9.551 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.202 3.836 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.659 1.228 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.042 2.602 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.683 1.186 12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.236 1.048 12.983 1.00 0.00 H new ATOM 224 N ALA A 16 -10.076 3.026 8.349 1.00 0.00 N ATOM 225 CA ALA A 16 -9.023 3.538 7.477 1.00 0.00 C ATOM 226 C ALA A 16 -9.452 4.813 6.760 1.00 0.00 C ATOM 227 O ALA A 16 -8.686 5.773 6.670 1.00 0.00 O ATOM 228 CB ALA A 16 -8.619 2.472 6.470 1.00 0.00 C ATOM 0 H ALA A 16 -10.353 2.065 8.150 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.165 3.789 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.833 2.862 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.251 1.593 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.483 2.196 5.865 1.00 0.00 H new ATOM 234 N LEU A 17 -10.678 4.824 6.271 1.00 0.00 N ATOM 235 CA LEU A 17 -11.209 5.976 5.554 1.00 0.00 C ATOM 236 C LEU A 17 -11.385 7.152 6.505 1.00 0.00 C ATOM 237 O LEU A 17 -10.872 8.248 6.276 1.00 0.00 O ATOM 238 CB LEU A 17 -12.555 5.615 4.919 1.00 0.00 C ATOM 239 CG LEU A 17 -13.158 6.679 3.998 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.235 6.957 2.823 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.527 6.235 3.502 1.00 0.00 C ATOM 0 H LEU A 17 -11.331 4.045 6.356 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.506 6.259 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.432 4.694 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.268 5.404 5.716 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.275 7.601 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.682 7.716 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.274 7.314 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.086 6.040 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.943 7.001 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.428 5.301 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.191 6.084 4.353 1.00 0.00 H new ATOM 253 N LYS A 18 -12.097 6.885 7.585 1.00 0.00 N ATOM 254 CA LYS A 18 -12.417 7.891 8.592 1.00 0.00 C ATOM 255 C LYS A 18 -11.153 8.542 9.162 1.00 0.00 C ATOM 256 O LYS A 18 -11.046 9.769 9.215 1.00 0.00 O ATOM 257 CB LYS A 18 -13.234 7.232 9.705 1.00 0.00 C ATOM 258 CG LYS A 18 -13.756 8.186 10.761 1.00 0.00 C ATOM 259 CD LYS A 18 -14.707 7.465 11.702 1.00 0.00 C ATOM 260 CE LYS A 18 -15.239 8.376 12.790 1.00 0.00 C ATOM 261 NZ LYS A 18 -16.171 7.659 13.697 1.00 0.00 N ATOM 0 H LYS A 18 -12.473 5.960 7.793 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.000 8.685 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.080 6.711 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.616 6.477 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.923 8.605 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.269 9.021 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.542 7.059 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.192 6.620 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.407 8.779 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.752 9.224 12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.515 8.313 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.978 7.296 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.674 6.865 14.149 1.00 0.00 H new ATOM 275 N ARG A 19 -10.192 7.718 9.568 1.00 0.00 N ATOM 276 CA ARG A 19 -8.960 8.213 10.170 1.00 0.00 C ATOM 277 C ARG A 19 -8.128 9.015 9.176 1.00 0.00 C ATOM 278 O ARG A 19 -7.547 10.037 9.526 1.00 0.00 O ATOM 279 CB ARG A 19 -8.129 7.056 10.716 1.00 0.00 C ATOM 280 CG ARG A 19 -8.795 6.306 11.855 1.00 0.00 C ATOM 281 CD ARG A 19 -9.208 7.236 12.987 1.00 0.00 C ATOM 282 NE ARG A 19 -8.068 7.845 13.669 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.082 8.209 14.951 1.00 0.00 C ATOM 284 NH1 ARG A 19 -9.176 8.045 15.684 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.006 8.753 15.493 1.00 0.00 N ATOM 0 H ARG A 19 -10.244 6.702 9.491 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.244 8.875 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.921 6.357 9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.169 7.441 11.060 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.673 5.781 11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.111 5.549 12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.849 8.023 12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.802 6.677 13.711 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.214 8.000 13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.013 7.638 15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.180 8.326 16.665 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.167 8.894 14.930 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.015 9.032 16.474 1.00 0.00 H new ATOM 299 N ALA A 20 -8.074 8.555 7.935 1.00 0.00 N ATOM 300 CA ALA A 20 -7.295 9.238 6.909 1.00 0.00 C ATOM 301 C ALA A 20 -7.886 10.603 6.594 1.00 0.00 C ATOM 302 O ALA A 20 -7.159 11.549 6.309 1.00 0.00 O ATOM 303 CB ALA A 20 -7.204 8.394 5.654 1.00 0.00 C ATOM 0 H ALA A 20 -8.557 7.716 7.613 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.287 9.387 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.619 8.923 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.722 7.445 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.206 8.207 5.268 1.00 0.00 H new ATOM 309 N GLU A 21 -9.205 10.712 6.668 1.00 0.00 N ATOM 310 CA GLU A 21 -9.872 11.976 6.399 1.00 0.00 C ATOM 311 C GLU A 21 -9.549 13.003 7.487 1.00 0.00 C ATOM 312 O GLU A 21 -9.309 14.176 7.193 1.00 0.00 O ATOM 313 CB GLU A 21 -11.386 11.781 6.301 1.00 0.00 C ATOM 314 CG GLU A 21 -12.125 13.036 5.864 1.00 0.00 C ATOM 315 CD GLU A 21 -13.630 12.900 5.938 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.192 13.107 7.035 1.00 0.00 O ATOM 317 OE2 GLU A 21 -14.258 12.594 4.904 1.00 0.00 O ATOM 0 H GLU A 21 -9.831 9.944 6.911 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.504 12.350 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.597 10.978 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.768 11.461 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.811 13.871 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.839 13.280 4.841 1.00 0.00 H new ATOM 324 N VAL A 22 -9.524 12.557 8.738 1.00 0.00 N ATOM 325 CA VAL A 22 -9.321 13.469 9.860 1.00 0.00 C ATOM 326 C VAL A 22 -7.839 13.719 10.158 1.00 0.00 C ATOM 327 O VAL A 22 -7.464 14.824 10.547 1.00 0.00 O ATOM 328 CB VAL A 22 -10.030 12.974 11.146 1.00 0.00 C ATOM 329 CG1 VAL A 22 -11.536 12.925 10.943 1.00 0.00 C ATOM 330 CG2 VAL A 22 -9.510 11.610 11.579 1.00 0.00 C ATOM 0 H VAL A 22 -9.641 11.578 9.001 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.769 14.413 9.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.806 13.686 11.940 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.015 12.575 11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.903 13.922 10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.771 12.243 10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.029 11.293 12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.688 10.884 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.440 11.675 11.778 1.00 0.00 H new ATOM 340 N GLU A 23 -6.993 12.709 9.973 1.00 0.00 N ATOM 341 CA GLU A 23 -5.587 12.825 10.359 1.00 0.00 C ATOM 342 C GLU A 23 -4.640 12.925 9.167 1.00 0.00 C ATOM 343 O GLU A 23 -3.650 13.659 9.219 1.00 0.00 O ATOM 344 CB GLU A 23 -5.161 11.625 11.205 1.00 0.00 C ATOM 345 CG GLU A 23 -5.896 11.489 12.521 1.00 0.00 C ATOM 346 CD GLU A 23 -5.301 10.402 13.386 1.00 0.00 C ATOM 347 OE1 GLU A 23 -5.618 9.212 13.160 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.507 10.726 14.295 1.00 0.00 O ATOM 0 H GLU A 23 -7.251 11.811 9.564 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.515 13.751 10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.312 10.715 10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.092 11.700 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.863 12.438 13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.946 11.268 12.330 1.00 0.00 H new ATOM 355 N ASP A 24 -4.932 12.207 8.095 1.00 0.00 N ATOM 356 CA ASP A 24 -3.928 11.991 7.062 1.00 0.00 C ATOM 357 C ASP A 24 -4.344 12.573 5.709 1.00 0.00 C ATOM 358 O ASP A 24 -5.055 13.578 5.638 1.00 0.00 O ATOM 359 CB ASP A 24 -3.630 10.492 6.945 1.00 0.00 C ATOM 360 CG ASP A 24 -2.329 10.203 6.214 1.00 0.00 C ATOM 361 OD1 ASP A 24 -1.251 10.373 6.819 1.00 0.00 O ATOM 362 OD2 ASP A 24 -2.391 9.815 5.028 1.00 0.00 O ATOM 0 H ASP A 24 -5.837 11.771 7.917 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.023 12.521 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.584 10.057 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.452 10.003 6.421 1.00 0.00 H new ATOM 367 N LYS A 25 -3.896 11.923 4.650 1.00 0.00 N ATOM 368 CA LYS A 25 -3.927 12.473 3.312 1.00 0.00 C ATOM 369 C LYS A 25 -4.622 11.516 2.353 1.00 0.00 C ATOM 370 O LYS A 25 -5.550 11.903 1.643 1.00 0.00 O ATOM 371 CB LYS A 25 -2.479 12.719 2.881 1.00 0.00 C ATOM 372 CG LYS A 25 -2.298 13.625 1.679 1.00 0.00 C ATOM 373 CD LYS A 25 -0.871 14.148 1.645 1.00 0.00 C ATOM 374 CE LYS A 25 -0.661 15.190 0.559 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.487 14.578 -0.785 1.00 0.00 N ATOM 0 H LYS A 25 -3.496 10.986 4.699 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.490 13.406 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.936 13.149 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.016 11.757 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.517 13.078 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.000 14.457 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.623 14.582 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.186 13.316 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.514 15.868 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.217 15.790 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.347 15.328 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.343 13.951 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.335 14.027 -1.028 1.00 0.00 H new ATOM 389 N LEU A 26 -4.177 10.259 2.356 1.00 0.00 N ATOM 390 CA LEU A 26 -4.745 9.232 1.483 1.00 0.00 C ATOM 391 C LEU A 26 -4.675 7.851 2.125 1.00 0.00 C ATOM 392 O LEU A 26 -3.846 7.597 3.009 1.00 0.00 O ATOM 393 CB LEU A 26 -4.021 9.183 0.131 1.00 0.00 C ATOM 394 CG LEU A 26 -4.328 10.325 -0.841 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.522 10.162 -2.116 1.00 0.00 C ATOM 396 CD2 LEU A 26 -5.812 10.370 -1.164 1.00 0.00 C ATOM 0 H LEU A 26 -3.422 9.927 2.956 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.789 9.503 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.947 9.171 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.270 8.241 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.049 11.265 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.750 10.981 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.458 10.174 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.777 9.214 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.009 11.189 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.114 9.428 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.379 10.526 -0.247 1.00 0.00 H new ATOM 408 N LEU A 27 -5.546 6.962 1.659 1.00 0.00 N ATOM 409 CA LEU A 27 -5.555 5.577 2.104 1.00 0.00 C ATOM 410 C LEU A 27 -4.595 4.745 1.259 1.00 0.00 C ATOM 411 O LEU A 27 -4.841 4.523 0.071 1.00 0.00 O ATOM 412 CB LEU A 27 -6.968 4.974 1.999 1.00 0.00 C ATOM 413 CG LEU A 27 -7.975 5.395 3.077 1.00 0.00 C ATOM 414 CD1 LEU A 27 -8.400 6.842 2.902 1.00 0.00 C ATOM 415 CD2 LEU A 27 -9.189 4.481 3.048 1.00 0.00 C ATOM 0 H LEU A 27 -6.261 7.182 0.966 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.238 5.560 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.380 5.239 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.878 3.888 2.022 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.486 5.305 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.114 7.108 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.526 7.489 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.866 6.969 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.896 4.790 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.667 4.542 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.876 3.454 3.235 1.00 0.00 H new ATOM 427 N PHE A 28 -3.505 4.294 1.863 1.00 0.00 N ATOM 428 CA PHE A 28 -2.538 3.455 1.167 1.00 0.00 C ATOM 429 C PHE A 28 -2.585 2.031 1.713 1.00 0.00 C ATOM 430 O PHE A 28 -2.264 1.794 2.876 1.00 0.00 O ATOM 431 CB PHE A 28 -1.129 4.040 1.313 1.00 0.00 C ATOM 432 CG PHE A 28 -0.039 3.175 0.746 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.154 3.082 -0.621 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.794 2.455 1.588 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.159 2.287 -1.140 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.800 1.660 1.076 1.00 0.00 C ATOM 437 CZ PHE A 28 1.982 1.575 -0.290 1.00 0.00 C ATOM 0 H PHE A 28 -3.267 4.495 2.834 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.794 3.427 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.099 5.012 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.927 4.212 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.487 3.637 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.654 2.517 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.300 2.223 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.444 1.106 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.767 0.952 -0.693 1.00 0.00 H new ATOM 447 N VAL A 29 -2.994 1.091 0.874 1.00 0.00 N ATOM 448 CA VAL A 29 -3.093 -0.303 1.284 1.00 0.00 C ATOM 449 C VAL A 29 -1.987 -1.138 0.659 1.00 0.00 C ATOM 450 O VAL A 29 -1.860 -1.205 -0.567 1.00 0.00 O ATOM 451 CB VAL A 29 -4.457 -0.922 0.903 1.00 0.00 C ATOM 452 CG1 VAL A 29 -4.509 -2.400 1.264 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.589 -0.177 1.583 1.00 0.00 C ATOM 0 H VAL A 29 -3.263 1.267 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.992 -0.312 2.369 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.575 -0.830 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.480 -2.809 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.723 -2.933 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.361 -2.518 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.541 -0.627 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.465 -0.235 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.576 0.867 1.272 1.00 0.00 H new ATOM 463 N ASP A 30 -1.192 -1.760 1.513 1.00 0.00 N ATOM 464 CA ASP A 30 -0.182 -2.710 1.078 1.00 0.00 C ATOM 465 C ASP A 30 -0.808 -4.094 0.990 1.00 0.00 C ATOM 466 O ASP A 30 -1.163 -4.694 2.012 1.00 0.00 O ATOM 467 CB ASP A 30 1.002 -2.722 2.052 1.00 0.00 C ATOM 468 CG ASP A 30 2.101 -3.692 1.645 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.956 -4.907 1.896 1.00 0.00 O ATOM 470 OD2 ASP A 30 3.132 -3.237 1.112 1.00 0.00 O ATOM 0 H ASP A 30 -1.228 -1.622 2.523 1.00 0.00 H new ATOM 0 HA ASP A 30 0.192 -2.415 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.419 -1.717 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.643 -2.986 3.047 1.00 0.00 H new ATOM 475 N CYS A 31 -0.987 -4.574 -0.228 1.00 0.00 N ATOM 476 CA CYS A 31 -1.597 -5.871 -0.450 1.00 0.00 C ATOM 477 C CYS A 31 -0.589 -6.824 -1.080 1.00 0.00 C ATOM 478 O CYS A 31 -0.151 -6.624 -2.209 1.00 0.00 O ATOM 479 CB CYS A 31 -2.831 -5.727 -1.348 1.00 0.00 C ATOM 480 SG CYS A 31 -3.710 -7.280 -1.658 1.00 0.00 S ATOM 0 H CYS A 31 -0.717 -4.083 -1.080 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.911 -6.282 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.520 -5.018 -0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.524 -5.300 -2.303 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.736 -7.053 -2.423 1.00 0.00 H new ATOM 486 N PHE A 32 -0.215 -7.853 -0.341 1.00 0.00 N ATOM 487 CA PHE A 32 0.738 -8.830 -0.835 1.00 0.00 C ATOM 488 C PHE A 32 0.132 -10.219 -0.775 1.00 0.00 C ATOM 489 O PHE A 32 -0.824 -10.453 -0.038 1.00 0.00 O ATOM 490 CB PHE A 32 2.036 -8.781 -0.015 1.00 0.00 C ATOM 491 CG PHE A 32 1.882 -9.259 1.407 1.00 0.00 C ATOM 492 CD1 PHE A 32 1.254 -8.471 2.359 1.00 0.00 C ATOM 493 CD2 PHE A 32 2.371 -10.499 1.789 1.00 0.00 C ATOM 494 CE1 PHE A 32 1.114 -8.913 3.660 1.00 0.00 C ATOM 495 CE2 PHE A 32 2.233 -10.944 3.089 1.00 0.00 C ATOM 496 CZ PHE A 32 1.604 -10.150 4.026 1.00 0.00 C ATOM 0 H PHE A 32 -0.557 -8.034 0.603 1.00 0.00 H new ATOM 0 HA PHE A 32 0.977 -8.591 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.791 -9.390 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.409 -7.757 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.870 -7.501 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.866 -11.125 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.621 -8.290 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.617 -11.913 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.495 -10.496 5.043 1.00 0.00 H new ATOM 506 N THR A 33 0.682 -11.137 -1.543 1.00 0.00 N ATOM 507 CA THR A 33 0.237 -12.514 -1.506 1.00 0.00 C ATOM 508 C THR A 33 1.195 -13.329 -0.636 1.00 0.00 C ATOM 509 O THR A 33 2.353 -12.951 -0.468 1.00 0.00 O ATOM 510 CB THR A 33 0.175 -13.111 -2.927 1.00 0.00 C ATOM 511 OG1 THR A 33 -0.411 -12.163 -3.828 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.653 -14.385 -2.950 1.00 0.00 C ATOM 0 H THR A 33 1.439 -10.954 -2.201 1.00 0.00 H new ATOM 0 HA THR A 33 -0.766 -12.549 -1.082 1.00 0.00 H new ATOM 0 HB THR A 33 1.194 -13.345 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.264 -11.848 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.679 -14.784 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.206 -15.121 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.668 -14.165 -2.620 1.00 0.00 H new ATOM 520 N THR A 34 0.700 -14.431 -0.080 1.00 0.00 N ATOM 521 CA THR A 34 1.465 -15.245 0.866 1.00 0.00 C ATOM 522 C THR A 34 2.736 -15.835 0.232 1.00 0.00 C ATOM 523 O THR A 34 3.644 -16.275 0.940 1.00 0.00 O ATOM 524 CB THR A 34 0.586 -16.385 1.424 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.705 -15.868 1.779 1.00 0.00 O ATOM 526 CG2 THR A 34 1.220 -17.028 2.651 1.00 0.00 C ATOM 0 H THR A 34 -0.237 -14.786 -0.270 1.00 0.00 H new ATOM 0 HA THR A 34 1.774 -14.586 1.677 1.00 0.00 H new ATOM 0 HB THR A 34 0.489 -17.144 0.648 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.262 -16.593 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.575 -17.826 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.192 -17.441 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.347 -16.277 3.431 1.00 0.00 H new ATOM 534 N TRP A 35 2.799 -15.834 -1.099 1.00 0.00 N ATOM 535 CA TRP A 35 3.957 -16.358 -1.815 1.00 0.00 C ATOM 536 C TRP A 35 5.221 -15.590 -1.454 1.00 0.00 C ATOM 537 O TRP A 35 5.229 -14.358 -1.430 1.00 0.00 O ATOM 538 CB TRP A 35 3.726 -16.298 -3.325 1.00 0.00 C ATOM 539 CG TRP A 35 2.666 -17.241 -3.798 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.329 -17.002 -3.861 1.00 0.00 C ATOM 541 CD2 TRP A 35 2.858 -18.577 -4.270 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.673 -18.106 -4.341 1.00 0.00 N ATOM 543 CE2 TRP A 35 1.590 -19.089 -4.602 1.00 0.00 C ATOM 544 CE3 TRP A 35 3.979 -19.388 -4.445 1.00 0.00 C ATOM 545 CZ2 TRP A 35 1.416 -20.379 -5.095 1.00 0.00 C ATOM 546 CZ3 TRP A 35 3.805 -20.665 -4.934 1.00 0.00 C ATOM 547 CH2 TRP A 35 2.534 -21.151 -5.255 1.00 0.00 C ATOM 0 H TRP A 35 2.059 -15.475 -1.702 1.00 0.00 H new ATOM 0 HA TRP A 35 4.089 -17.398 -1.516 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.449 -15.281 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.660 -16.525 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.853 -16.076 -3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.334 -18.183 -4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.966 -19.022 -4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.435 -20.756 -5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.666 -21.302 -5.072 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.433 -22.156 -5.637 1.00 0.00 H new ATOM 558 N CYS A 36 6.279 -16.324 -1.167 1.00 0.00 N ATOM 559 CA CYS A 36 7.547 -15.723 -0.792 1.00 0.00 C ATOM 560 C CYS A 36 8.312 -15.259 -2.030 1.00 0.00 C ATOM 561 O CYS A 36 8.822 -16.075 -2.800 1.00 0.00 O ATOM 562 CB CYS A 36 8.380 -16.728 0.003 1.00 0.00 C ATOM 563 SG CYS A 36 7.509 -17.445 1.417 1.00 0.00 S ATOM 0 H CYS A 36 6.286 -17.344 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 36 7.351 -14.851 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.695 -17.531 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.285 -16.235 0.358 1.00 0.00 H new ATOM 0 HG CYS A 36 8.291 -18.285 2.028 1.00 0.00 H new ATOM 569 N GLY A 37 8.369 -13.951 -2.230 1.00 0.00 N ATOM 570 CA GLY A 37 9.093 -13.410 -3.363 1.00 0.00 C ATOM 571 C GLY A 37 9.578 -11.997 -3.117 1.00 0.00 C ATOM 572 O GLY A 37 10.280 -11.748 -2.134 1.00 0.00 O ATOM 0 H GLY A 37 7.928 -13.255 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.946 -14.051 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.448 -13.422 -4.242 1.00 0.00 H new ATOM 576 N PRO A 38 9.196 -11.044 -3.989 1.00 0.00 N ATOM 577 CA PRO A 38 9.612 -9.639 -3.885 1.00 0.00 C ATOM 578 C PRO A 38 9.338 -9.046 -2.506 1.00 0.00 C ATOM 579 O PRO A 38 10.133 -8.261 -1.992 1.00 0.00 O ATOM 580 CB PRO A 38 8.766 -8.921 -4.947 1.00 0.00 C ATOM 581 CG PRO A 38 7.738 -9.908 -5.392 1.00 0.00 C ATOM 582 CD PRO A 38 8.329 -11.265 -5.154 1.00 0.00 C ATOM 0 HA PRO A 38 10.686 -9.533 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.296 -8.028 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.384 -8.597 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.811 -9.784 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.495 -9.769 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.560 -12.011 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.894 -11.617 -6.017 1.00 0.00 H new ATOM 590 N CYS A 39 8.218 -9.448 -1.914 1.00 0.00 N ATOM 591 CA CYS A 39 7.813 -8.975 -0.594 1.00 0.00 C ATOM 592 C CYS A 39 8.914 -9.197 0.446 1.00 0.00 C ATOM 593 O CYS A 39 9.136 -8.360 1.325 1.00 0.00 O ATOM 594 CB CYS A 39 6.537 -9.706 -0.172 1.00 0.00 C ATOM 595 SG CYS A 39 6.594 -11.486 -0.493 1.00 0.00 S ATOM 0 H CYS A 39 7.566 -10.110 -2.335 1.00 0.00 H new ATOM 0 HA CYS A 39 7.629 -7.902 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.367 -9.541 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.687 -9.275 -0.702 1.00 0.00 H new ATOM 0 HG CYS A 39 5.479 -12.032 -0.107 1.00 0.00 H new ATOM 601 N LYS A 40 9.616 -10.318 0.326 1.00 0.00 N ATOM 602 CA LYS A 40 10.651 -10.675 1.285 1.00 0.00 C ATOM 603 C LYS A 40 11.894 -9.814 1.085 1.00 0.00 C ATOM 604 O LYS A 40 12.541 -9.407 2.053 1.00 0.00 O ATOM 605 CB LYS A 40 10.999 -12.161 1.164 1.00 0.00 C ATOM 606 CG LYS A 40 9.809 -13.087 1.390 1.00 0.00 C ATOM 607 CD LYS A 40 9.163 -12.864 2.752 1.00 0.00 C ATOM 608 CE LYS A 40 10.089 -13.251 3.898 1.00 0.00 C ATOM 609 NZ LYS A 40 10.367 -14.712 3.928 1.00 0.00 N ATOM 0 H LYS A 40 9.486 -10.994 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 40 10.269 -10.489 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.412 -12.349 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.779 -12.403 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.069 -12.924 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.136 -14.124 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.883 -11.815 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.244 -13.447 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.028 -12.706 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.639 -12.949 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.857 -14.954 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.471 -15.237 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.968 -14.968 3.118 1.00 0.00 H new ATOM 623 N ARG A 41 12.210 -9.514 -0.169 1.00 0.00 N ATOM 624 CA ARG A 41 13.358 -8.671 -0.478 1.00 0.00 C ATOM 625 C ARG A 41 13.072 -7.231 -0.068 1.00 0.00 C ATOM 626 O ARG A 41 13.942 -6.543 0.472 1.00 0.00 O ATOM 627 CB ARG A 41 13.701 -8.736 -1.967 1.00 0.00 C ATOM 628 CG ARG A 41 14.957 -7.961 -2.328 1.00 0.00 C ATOM 629 CD ARG A 41 15.282 -8.078 -3.806 1.00 0.00 C ATOM 630 NE ARG A 41 16.546 -7.423 -4.142 1.00 0.00 N ATOM 631 CZ ARG A 41 17.230 -7.659 -5.258 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.761 -8.501 -6.168 1.00 0.00 N ATOM 633 NH2 ARG A 41 18.385 -7.044 -5.472 1.00 0.00 N ATOM 0 H ARG A 41 11.691 -9.840 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 41 14.215 -9.041 0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.829 -9.779 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.863 -8.345 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.825 -6.911 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.796 -8.333 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.334 -9.131 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.477 -7.634 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 41 16.925 -6.745 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.870 -8.973 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.291 -8.677 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.750 -6.389 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.909 -7.226 -6.328 1.00 0.00 H new ATOM 647 N LEU A 42 11.844 -6.784 -0.317 1.00 0.00 N ATOM 648 CA LEU A 42 11.411 -5.455 0.093 1.00 0.00 C ATOM 649 C LEU A 42 11.594 -5.289 1.597 1.00 0.00 C ATOM 650 O LEU A 42 12.082 -4.264 2.065 1.00 0.00 O ATOM 651 CB LEU A 42 9.942 -5.219 -0.281 1.00 0.00 C ATOM 652 CG LEU A 42 9.623 -5.285 -1.777 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.133 -5.124 -2.009 1.00 0.00 C ATOM 654 CD2 LEU A 42 10.393 -4.219 -2.540 1.00 0.00 C ATOM 0 H LEU A 42 11.130 -7.327 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 42 12.023 -4.720 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.330 -5.959 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.643 -4.240 0.094 1.00 0.00 H new ATOM 0 HG LEU A 42 9.931 -6.263 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.924 -5.173 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.597 -5.923 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.806 -4.160 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.151 -4.285 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.118 -3.233 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.463 -4.374 -2.402 1.00 0.00 H new ATOM 666 N SER A 43 11.230 -6.326 2.339 1.00 0.00 N ATOM 667 CA SER A 43 11.347 -6.325 3.792 1.00 0.00 C ATOM 668 C SER A 43 12.798 -6.119 4.243 1.00 0.00 C ATOM 669 O SER A 43 13.053 -5.587 5.324 1.00 0.00 O ATOM 670 CB SER A 43 10.794 -7.634 4.356 1.00 0.00 C ATOM 671 OG SER A 43 9.432 -7.811 3.993 1.00 0.00 O ATOM 0 H SER A 43 10.847 -7.189 1.953 1.00 0.00 H new ATOM 0 HA SER A 43 10.764 -5.489 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.384 -8.472 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.887 -7.634 5.442 1.00 0.00 H new ATOM 0 HG SER A 43 9.371 -8.003 3.034 1.00 0.00 H new ATOM 677 N LYS A 44 13.744 -6.545 3.419 1.00 0.00 N ATOM 678 CA LYS A 44 15.153 -6.457 3.775 1.00 0.00 C ATOM 679 C LYS A 44 15.738 -5.082 3.442 1.00 0.00 C ATOM 680 O LYS A 44 16.408 -4.469 4.273 1.00 0.00 O ATOM 681 CB LYS A 44 15.940 -7.558 3.059 1.00 0.00 C ATOM 682 CG LYS A 44 17.412 -7.605 3.432 1.00 0.00 C ATOM 683 CD LYS A 44 18.116 -8.767 2.754 1.00 0.00 C ATOM 684 CE LYS A 44 19.593 -8.811 3.102 1.00 0.00 C ATOM 685 NZ LYS A 44 20.267 -9.983 2.486 1.00 0.00 N ATOM 0 H LYS A 44 13.563 -6.954 2.502 1.00 0.00 H new ATOM 0 HA LYS A 44 15.236 -6.595 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.486 -8.522 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.853 -7.412 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.892 -6.669 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.513 -7.697 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.644 -9.703 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.999 -8.682 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.075 -7.894 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.711 -8.851 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.274 -9.980 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.823 -10.859 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.176 -9.932 1.451 1.00 0.00 H new ATOM 699 N VAL A 45 15.479 -4.594 2.234 1.00 0.00 N ATOM 700 CA VAL A 45 16.087 -3.345 1.776 1.00 0.00 C ATOM 701 C VAL A 45 15.170 -2.143 2.000 1.00 0.00 C ATOM 702 O VAL A 45 15.559 -1.152 2.620 1.00 0.00 O ATOM 703 CB VAL A 45 16.486 -3.440 0.281 1.00 0.00 C ATOM 704 CG1 VAL A 45 15.302 -3.778 -0.616 1.00 0.00 C ATOM 705 CG2 VAL A 45 17.169 -2.162 -0.184 1.00 0.00 C ATOM 0 H VAL A 45 14.858 -5.038 1.557 1.00 0.00 H new ATOM 0 HA VAL A 45 16.985 -3.192 2.374 1.00 0.00 H new ATOM 0 HB VAL A 45 17.196 -4.263 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.635 -3.833 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.883 -4.739 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 45 14.540 -3.004 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.438 -2.256 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.489 -1.319 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 45 18.069 -1.995 0.408 1.00 0.00 H new ATOM 715 N VAL A 46 13.952 -2.254 1.505 1.00 0.00 N ATOM 716 CA VAL A 46 12.975 -1.172 1.579 1.00 0.00 C ATOM 717 C VAL A 46 12.544 -0.916 3.019 1.00 0.00 C ATOM 718 O VAL A 46 12.452 0.231 3.456 1.00 0.00 O ATOM 719 CB VAL A 46 11.734 -1.484 0.717 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.724 -0.349 0.782 1.00 0.00 C ATOM 721 CG2 VAL A 46 12.148 -1.755 -0.720 1.00 0.00 C ATOM 0 H VAL A 46 13.607 -3.094 1.040 1.00 0.00 H new ATOM 0 HA VAL A 46 13.458 -0.275 1.192 1.00 0.00 H new ATOM 0 HB VAL A 46 11.255 -2.378 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.860 -0.595 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.404 -0.205 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.183 0.568 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.264 -1.974 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.652 -0.878 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.826 -2.608 -0.749 1.00 0.00 H new ATOM 731 N PHE A 47 12.319 -1.992 3.760 1.00 0.00 N ATOM 732 CA PHE A 47 11.895 -1.898 5.156 1.00 0.00 C ATOM 733 C PHE A 47 13.089 -1.654 6.081 1.00 0.00 C ATOM 734 O PHE A 47 13.079 -2.056 7.243 1.00 0.00 O ATOM 735 CB PHE A 47 11.160 -3.175 5.583 1.00 0.00 C ATOM 736 CG PHE A 47 9.785 -3.337 4.991 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.584 -3.268 3.623 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.693 -3.565 5.813 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.323 -3.422 3.083 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.430 -3.721 5.280 1.00 0.00 C ATOM 741 CZ PHE A 47 7.243 -3.650 3.913 1.00 0.00 C ATOM 0 H PHE A 47 12.423 -2.947 3.418 1.00 0.00 H new ATOM 0 HA PHE A 47 11.215 -1.050 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.765 -4.037 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.076 -3.184 6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.425 -3.091 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.832 -3.621 6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.181 -3.364 2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.587 -3.899 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.255 -3.772 3.495 1.00 0.00 H new ATOM 751 N LYS A 48 14.112 -0.994 5.555 1.00 0.00 N ATOM 752 CA LYS A 48 15.282 -0.632 6.344 1.00 0.00 C ATOM 753 C LYS A 48 15.689 0.817 6.078 1.00 0.00 C ATOM 754 O LYS A 48 16.262 1.477 6.943 1.00 0.00 O ATOM 755 CB LYS A 48 16.456 -1.555 6.012 1.00 0.00 C ATOM 756 CG LYS A 48 17.672 -1.332 6.898 1.00 0.00 C ATOM 757 CD LYS A 48 18.887 -2.093 6.390 1.00 0.00 C ATOM 758 CE LYS A 48 19.394 -1.531 5.069 1.00 0.00 C ATOM 759 NZ LYS A 48 19.842 -0.117 5.195 1.00 0.00 N ATOM 0 H LYS A 48 14.155 -0.697 4.580 1.00 0.00 H new ATOM 0 HA LYS A 48 15.022 -0.741 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.132 -2.591 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.742 -1.406 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.901 -0.267 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.444 -1.649 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.682 -2.047 7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.630 -3.145 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.222 -2.142 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.603 -1.595 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.405 0.144 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.012 0.506 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.423 -0.012 6.051 1.00 0.00 H new ATOM 773 N ASP A 49 15.397 1.301 4.874 1.00 0.00 N ATOM 774 CA ASP A 49 15.803 2.643 4.467 1.00 0.00 C ATOM 775 C ASP A 49 14.972 3.712 5.169 1.00 0.00 C ATOM 776 O ASP A 49 13.739 3.641 5.193 1.00 0.00 O ATOM 777 CB ASP A 49 15.683 2.794 2.951 1.00 0.00 C ATOM 778 CG ASP A 49 16.197 4.130 2.469 1.00 0.00 C ATOM 779 OD1 ASP A 49 17.432 4.276 2.327 1.00 0.00 O ATOM 780 OD2 ASP A 49 15.378 5.039 2.247 1.00 0.00 O ATOM 0 H ASP A 49 14.880 0.784 4.163 1.00 0.00 H new ATOM 0 HA ASP A 49 16.844 2.781 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.240 1.994 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.639 2.681 2.658 1.00 0.00 H new ATOM 785 N SER A 50 15.658 4.700 5.734 1.00 0.00 N ATOM 786 CA SER A 50 15.010 5.765 6.488 1.00 0.00 C ATOM 787 C SER A 50 14.207 6.689 5.574 1.00 0.00 C ATOM 788 O SER A 50 13.098 7.101 5.919 1.00 0.00 O ATOM 789 CB SER A 50 16.061 6.565 7.259 1.00 0.00 C ATOM 790 OG SER A 50 16.874 5.707 8.046 1.00 0.00 O ATOM 0 H SER A 50 16.673 4.784 5.682 1.00 0.00 H new ATOM 0 HA SER A 50 14.313 5.309 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.684 7.123 6.560 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.569 7.296 7.901 1.00 0.00 H new ATOM 0 HG SER A 50 17.540 6.240 8.529 1.00 0.00 H new ATOM 796 N LEU A 51 14.763 6.998 4.401 1.00 0.00 N ATOM 797 CA LEU A 51 14.121 7.911 3.457 1.00 0.00 C ATOM 798 C LEU A 51 12.780 7.354 2.998 1.00 0.00 C ATOM 799 O LEU A 51 11.755 8.041 3.059 1.00 0.00 O ATOM 800 CB LEU A 51 15.022 8.164 2.238 1.00 0.00 C ATOM 801 CG LEU A 51 16.098 9.247 2.403 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.459 10.586 2.738 1.00 0.00 C ATOM 803 CD2 LEU A 51 17.113 8.860 3.468 1.00 0.00 C ATOM 0 H LEU A 51 15.659 6.628 4.083 1.00 0.00 H new ATOM 0 HA LEU A 51 13.955 8.857 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.515 7.228 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.388 8.437 1.394 1.00 0.00 H new ATOM 0 HG LEU A 51 16.627 9.340 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.236 11.342 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.783 10.878 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.899 10.499 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.861 9.647 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.605 8.728 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.601 7.927 3.184 1.00 0.00 H new ATOM 815 N VAL A 52 12.797 6.106 2.547 1.00 0.00 N ATOM 816 CA VAL A 52 11.588 5.429 2.097 1.00 0.00 C ATOM 817 C VAL A 52 10.561 5.341 3.224 1.00 0.00 C ATOM 818 O VAL A 52 9.382 5.646 3.030 1.00 0.00 O ATOM 819 CB VAL A 52 11.903 4.010 1.570 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.631 3.294 1.146 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.882 4.079 0.408 1.00 0.00 C ATOM 0 H VAL A 52 13.642 5.539 2.483 1.00 0.00 H new ATOM 0 HA VAL A 52 11.171 6.019 1.281 1.00 0.00 H new ATOM 0 HB VAL A 52 12.361 3.442 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.879 2.298 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.959 3.209 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.141 3.861 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.093 3.071 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.447 4.668 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.809 4.547 0.740 1.00 0.00 H new ATOM 831 N ALA A 53 11.027 4.952 4.405 1.00 0.00 N ATOM 832 CA ALA A 53 10.155 4.785 5.562 1.00 0.00 C ATOM 833 C ALA A 53 9.454 6.087 5.924 1.00 0.00 C ATOM 834 O ALA A 53 8.230 6.126 6.058 1.00 0.00 O ATOM 835 CB ALA A 53 10.953 4.277 6.751 1.00 0.00 C ATOM 0 H ALA A 53 12.009 4.745 4.587 1.00 0.00 H new ATOM 0 HA ALA A 53 9.391 4.053 5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.291 4.156 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.404 3.316 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.737 4.994 6.996 1.00 0.00 H new ATOM 841 N ASP A 54 10.234 7.150 6.058 1.00 0.00 N ATOM 842 CA ASP A 54 9.705 8.442 6.477 1.00 0.00 C ATOM 843 C ASP A 54 8.722 8.985 5.443 1.00 0.00 C ATOM 844 O ASP A 54 7.684 9.549 5.793 1.00 0.00 O ATOM 845 CB ASP A 54 10.852 9.433 6.695 1.00 0.00 C ATOM 846 CG ASP A 54 10.384 10.754 7.276 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.312 10.871 8.518 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.109 11.688 6.492 1.00 0.00 O ATOM 0 H ASP A 54 11.239 7.144 5.882 1.00 0.00 H new ATOM 0 HA ASP A 54 9.170 8.309 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.589 8.988 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.353 9.616 5.745 1.00 0.00 H new ATOM 853 N TYR A 55 9.039 8.788 4.168 1.00 0.00 N ATOM 854 CA TYR A 55 8.178 9.245 3.087 1.00 0.00 C ATOM 855 C TYR A 55 6.813 8.563 3.152 1.00 0.00 C ATOM 856 O TYR A 55 5.781 9.225 3.279 1.00 0.00 O ATOM 857 CB TYR A 55 8.835 8.971 1.731 1.00 0.00 C ATOM 858 CG TYR A 55 8.001 9.405 0.543 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.854 10.749 0.225 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.360 8.468 -0.260 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.093 11.148 -0.859 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.598 8.858 -1.346 1.00 0.00 C ATOM 863 CZ TYR A 55 6.468 10.200 -1.640 1.00 0.00 C ATOM 864 OH TYR A 55 5.709 10.593 -2.718 1.00 0.00 O ATOM 0 H TYR A 55 9.888 8.314 3.859 1.00 0.00 H new ATOM 0 HA TYR A 55 8.033 10.319 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.796 9.484 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.040 7.904 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.342 11.495 0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.459 7.417 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.989 12.197 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.108 8.117 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 55 5.339 9.802 -3.163 1.00 0.00 H new ATOM 874 N PHE A 56 6.815 7.238 3.086 1.00 0.00 N ATOM 875 CA PHE A 56 5.575 6.475 3.068 1.00 0.00 C ATOM 876 C PHE A 56 4.762 6.687 4.339 1.00 0.00 C ATOM 877 O PHE A 56 3.559 6.932 4.272 1.00 0.00 O ATOM 878 CB PHE A 56 5.862 4.983 2.876 1.00 0.00 C ATOM 879 CG PHE A 56 6.091 4.587 1.443 1.00 0.00 C ATOM 880 CD1 PHE A 56 7.325 4.775 0.841 1.00 0.00 C ATOM 881 CD2 PHE A 56 5.068 4.025 0.698 1.00 0.00 C ATOM 882 CE1 PHE A 56 7.531 4.409 -0.475 1.00 0.00 C ATOM 883 CE2 PHE A 56 5.269 3.658 -0.620 1.00 0.00 C ATOM 884 CZ PHE A 56 6.504 3.849 -1.206 1.00 0.00 C ATOM 0 H PHE A 56 7.661 6.670 3.044 1.00 0.00 H new ATOM 0 HA PHE A 56 4.985 6.838 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.740 4.713 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.025 4.408 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.134 5.212 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.100 3.871 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.498 4.562 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.461 3.223 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.666 3.561 -2.234 1.00 0.00 H new ATOM 894 N ASN A 57 5.423 6.617 5.486 1.00 0.00 N ATOM 895 CA ASN A 57 4.733 6.645 6.775 1.00 0.00 C ATOM 896 C ASN A 57 4.154 8.018 7.099 1.00 0.00 C ATOM 897 O ASN A 57 2.988 8.132 7.468 1.00 0.00 O ATOM 898 CB ASN A 57 5.686 6.224 7.895 1.00 0.00 C ATOM 899 CG ASN A 57 5.009 6.171 9.253 1.00 0.00 C ATOM 900 OD1 ASN A 57 3.814 5.895 9.358 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.773 6.429 10.302 1.00 0.00 N ATOM 0 H ASN A 57 6.438 6.540 5.554 1.00 0.00 H new ATOM 0 HA ASN A 57 3.903 5.942 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.102 5.244 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.521 6.923 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.376 6.403 11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.759 6.654 10.172 1.00 0.00 H new ATOM 908 N ARG A 58 4.963 9.056 6.958 1.00 0.00 N ATOM 909 CA ARG A 58 4.580 10.383 7.432 1.00 0.00 C ATOM 910 C ARG A 58 3.633 11.092 6.469 1.00 0.00 C ATOM 911 O ARG A 58 2.879 11.976 6.873 1.00 0.00 O ATOM 912 CB ARG A 58 5.829 11.236 7.666 1.00 0.00 C ATOM 913 CG ARG A 58 6.769 10.661 8.704 1.00 0.00 C ATOM 914 CD ARG A 58 6.140 10.656 10.080 1.00 0.00 C ATOM 915 NE ARG A 58 6.015 12.005 10.631 1.00 0.00 N ATOM 916 CZ ARG A 58 5.158 12.346 11.593 1.00 0.00 C ATOM 917 NH1 ARG A 58 4.291 11.454 12.063 1.00 0.00 N ATOM 918 NH2 ARG A 58 5.161 13.587 12.068 1.00 0.00 N ATOM 0 H ARG A 58 5.884 9.010 6.522 1.00 0.00 H new ATOM 0 HA ARG A 58 4.044 10.250 8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.365 11.346 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.524 12.235 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.043 9.644 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.689 11.244 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.154 10.194 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.743 10.045 10.752 1.00 0.00 H new ATOM 0 HE ARG A 58 6.623 12.732 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.281 10.506 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.636 11.718 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.817 14.274 11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.507 13.853 12.804 1.00 0.00 H new ATOM 932 N HIS A 59 3.668 10.715 5.198 1.00 0.00 N ATOM 933 CA HIS A 59 2.873 11.417 4.196 1.00 0.00 C ATOM 934 C HIS A 59 1.530 10.730 3.931 1.00 0.00 C ATOM 935 O HIS A 59 0.581 11.387 3.508 1.00 0.00 O ATOM 936 CB HIS A 59 3.660 11.575 2.892 1.00 0.00 C ATOM 937 CG HIS A 59 4.888 12.425 3.030 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.951 13.737 2.616 1.00 0.00 N ATOM 939 CD2 HIS A 59 6.113 12.138 3.534 1.00 0.00 C ATOM 940 CE1 HIS A 59 6.159 14.215 2.851 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.881 13.265 3.410 1.00 0.00 N ATOM 0 H HIS A 59 4.227 9.941 4.839 1.00 0.00 H new ATOM 0 HA HIS A 59 2.655 12.406 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.950 10.588 2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.009 12.013 2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.426 11.194 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.498 15.215 2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.854 13.355 3.703 1.00 0.00 H new ATOM 950 N PHE A 60 1.446 9.423 4.179 1.00 0.00 N ATOM 951 CA PHE A 60 0.210 8.676 3.911 1.00 0.00 C ATOM 952 C PHE A 60 -0.032 7.612 4.981 1.00 0.00 C ATOM 953 O PHE A 60 0.882 7.257 5.728 1.00 0.00 O ATOM 954 CB PHE A 60 0.267 7.999 2.534 1.00 0.00 C ATOM 955 CG PHE A 60 0.448 8.949 1.386 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.616 9.698 0.916 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.685 9.091 0.777 1.00 0.00 C ATOM 958 CE1 PHE A 60 -0.452 10.572 -0.141 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.855 9.962 -0.281 1.00 0.00 C ATOM 960 CZ PHE A 60 0.784 10.703 -0.739 1.00 0.00 C ATOM 0 H PHE A 60 2.208 8.862 4.561 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.611 9.393 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.087 7.281 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.653 7.434 2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.586 9.598 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.525 8.514 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.290 11.152 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.823 10.063 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.914 11.386 -1.566 1.00 0.00 H new ATOM 970 N VAL A 61 -1.261 7.102 5.048 1.00 0.00 N ATOM 971 CA VAL A 61 -1.585 6.021 5.973 1.00 0.00 C ATOM 972 C VAL A 61 -1.105 4.686 5.422 1.00 0.00 C ATOM 973 O VAL A 61 -1.546 4.255 4.356 1.00 0.00 O ATOM 974 CB VAL A 61 -3.101 5.920 6.252 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.398 4.746 7.172 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.627 7.205 6.858 1.00 0.00 C ATOM 0 H VAL A 61 -2.044 7.419 4.476 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.076 6.252 6.908 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.607 5.757 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.471 4.691 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.063 3.821 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.873 4.883 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.696 7.108 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.111 7.402 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.453 8.031 6.168 1.00 0.00 H new ATOM 986 N ASN A 62 -0.197 4.043 6.142 1.00 0.00 N ATOM 987 CA ASN A 62 0.324 2.744 5.731 1.00 0.00 C ATOM 988 C ASN A 62 -0.545 1.629 6.293 1.00 0.00 C ATOM 989 O ASN A 62 -0.364 1.202 7.435 1.00 0.00 O ATOM 990 CB ASN A 62 1.773 2.552 6.204 1.00 0.00 C ATOM 991 CG ASN A 62 2.768 3.479 5.522 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.933 3.126 5.332 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.328 4.674 5.170 1.00 0.00 N ATOM 0 H ASN A 62 0.195 4.398 7.014 1.00 0.00 H new ATOM 0 HA ASN A 62 0.307 2.707 4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.819 2.714 7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.070 1.519 6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.960 5.339 4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.356 4.931 5.343 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.494 1.164 5.499 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.399 0.116 5.936 1.00 0.00 C ATOM 1002 C LEU A 63 -1.910 -1.237 5.446 1.00 0.00 C ATOM 1003 O LEU A 63 -1.663 -1.428 4.255 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.816 0.386 5.428 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.878 -0.611 5.896 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.040 -0.556 7.403 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.205 -0.334 5.214 1.00 0.00 C ATOM 0 H LEU A 63 -1.658 1.496 4.548 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.420 0.107 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.114 1.385 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.799 0.389 4.338 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.547 -1.613 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.800 -1.273 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.092 -0.803 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.345 0.447 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.948 -1.053 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.536 0.676 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.085 -0.426 4.134 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.757 -2.164 6.373 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.321 -3.510 6.044 1.00 0.00 C ATOM 1021 C LYS A 64 -2.526 -4.436 6.014 1.00 0.00 C ATOM 1022 O LYS A 64 -3.255 -4.543 7.001 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.307 -3.999 7.078 1.00 0.00 C ATOM 1024 CG LYS A 64 0.503 -5.205 6.632 1.00 0.00 C ATOM 1025 CD LYS A 64 1.410 -4.867 5.458 1.00 0.00 C ATOM 1026 CE LYS A 64 2.329 -6.026 5.107 1.00 0.00 C ATOM 1027 NZ LYS A 64 3.227 -5.702 3.967 1.00 0.00 N ATOM 0 H LYS A 64 -1.929 -2.009 7.366 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.844 -3.507 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.376 -3.183 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.835 -4.250 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.105 -5.568 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.172 -6.013 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.802 -4.609 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.008 -3.989 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.930 -6.288 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.729 -6.901 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.987 -6.410 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.681 -5.710 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.642 -4.759 4.109 1.00 0.00 H new ATOM 1041 N MET A 65 -2.751 -5.083 4.882 1.00 0.00 N ATOM 1042 CA MET A 65 -3.895 -5.974 4.742 1.00 0.00 C ATOM 1043 C MET A 65 -3.500 -7.309 4.134 1.00 0.00 C ATOM 1044 O MET A 65 -2.459 -7.440 3.486 1.00 0.00 O ATOM 1045 CB MET A 65 -4.995 -5.322 3.900 1.00 0.00 C ATOM 1046 CG MET A 65 -5.989 -4.512 4.717 1.00 0.00 C ATOM 1047 SD MET A 65 -7.283 -3.780 3.700 1.00 0.00 S ATOM 1048 CE MET A 65 -8.445 -3.251 4.956 1.00 0.00 C ATOM 0 H MET A 65 -2.163 -5.010 4.052 1.00 0.00 H new ATOM 0 HA MET A 65 -4.279 -6.160 5.745 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.534 -4.672 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.532 -6.099 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.444 -5.155 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.459 -3.722 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.881 -2.294 4.669 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.236 -3.994 5.056 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.927 -3.142 5.909 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.332 -8.299 4.383 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.170 -9.616 3.810 1.00 0.00 C ATOM 1060 C ASP A 66 -5.142 -9.779 2.652 1.00 0.00 C ATOM 1061 O ASP A 66 -6.156 -9.082 2.591 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.422 -10.690 4.871 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.276 -10.834 5.855 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.956 -9.858 6.564 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.698 -11.938 5.939 1.00 0.00 O ATOM 0 H ASP A 66 -5.145 -8.210 4.993 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.149 -9.730 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.333 -10.446 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.592 -11.647 4.378 1.00 0.00 H new ATOM 1070 N MET A 67 -4.834 -10.673 1.727 1.00 0.00 N ATOM 1071 CA MET A 67 -5.702 -10.883 0.572 1.00 0.00 C ATOM 1072 C MET A 67 -6.903 -11.735 0.959 1.00 0.00 C ATOM 1073 O MET A 67 -7.925 -11.738 0.272 1.00 0.00 O ATOM 1074 CB MET A 67 -4.938 -11.532 -0.587 1.00 0.00 C ATOM 1075 CG MET A 67 -3.749 -10.710 -1.056 1.00 0.00 C ATOM 1076 SD MET A 67 -3.102 -11.247 -2.652 1.00 0.00 S ATOM 1077 CE MET A 67 -4.427 -10.714 -3.736 1.00 0.00 C ATOM 0 H MET A 67 -4.000 -11.260 1.749 1.00 0.00 H new ATOM 0 HA MET A 67 -6.055 -9.908 0.236 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.590 -12.518 -0.278 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.620 -11.683 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.043 -9.663 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.956 -10.771 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.049 -10.623 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.234 -11.447 -3.712 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.805 -9.748 -3.401 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.769 -12.447 2.071 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.837 -13.255 2.616 1.00 0.00 C ATOM 1089 C GLU A 68 -7.808 -13.150 4.134 1.00 0.00 C ATOM 1090 O GLU A 68 -6.745 -13.267 4.752 1.00 0.00 O ATOM 1091 CB GLU A 68 -7.716 -14.711 2.152 1.00 0.00 C ATOM 1092 CG GLU A 68 -7.959 -14.870 0.657 1.00 0.00 C ATOM 1093 CD GLU A 68 -7.933 -16.308 0.186 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -8.912 -17.040 0.451 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.954 -16.699 -0.487 1.00 0.00 O ATOM 0 H GLU A 68 -5.909 -12.476 2.618 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.796 -12.886 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.722 -15.085 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.431 -15.324 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.925 -14.432 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.202 -14.305 0.113 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.985 -12.921 4.703 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.168 -12.593 6.117 1.00 0.00 C ATOM 1104 C LYS A 69 -8.787 -11.140 6.378 1.00 0.00 C ATOM 1105 O LYS A 69 -7.618 -10.757 6.280 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.387 -13.531 7.044 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.919 -14.954 7.069 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.154 -15.837 8.050 1.00 0.00 C ATOM 1109 CE LYS A 69 -6.802 -16.279 7.504 1.00 0.00 C ATOM 1110 NZ LYS A 69 -5.794 -15.183 7.474 1.00 0.00 N ATOM 0 H LYS A 69 -9.862 -12.958 4.184 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.225 -12.733 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.343 -13.549 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.409 -13.127 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.974 -14.941 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.853 -15.383 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.005 -15.294 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.753 -16.717 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.421 -17.098 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.935 -16.669 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.867 -15.556 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.727 -14.799 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.083 -14.428 8.128 1.00 0.00 H new ATOM 1124 N GLY A 70 -9.787 -10.333 6.699 1.00 0.00 N ATOM 1125 CA GLY A 70 -9.563 -8.920 6.912 1.00 0.00 C ATOM 1126 C GLY A 70 -10.044 -8.088 5.740 1.00 0.00 C ATOM 1127 O GLY A 70 -9.316 -7.224 5.248 1.00 0.00 O ATOM 0 H GLY A 70 -10.754 -10.634 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.079 -8.603 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.500 -8.741 7.072 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.258 -8.394 5.271 1.00 0.00 N ATOM 1132 CA GLU A 71 -11.911 -7.658 4.180 1.00 0.00 C ATOM 1133 C GLU A 71 -11.164 -7.836 2.855 1.00 0.00 C ATOM 1134 O GLU A 71 -11.428 -7.133 1.877 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.045 -6.171 4.536 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.803 -5.934 5.836 1.00 0.00 C ATOM 1137 CD GLU A 71 -12.994 -4.467 6.158 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -12.037 -3.828 6.642 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.113 -3.953 5.941 1.00 0.00 O ATOM 0 H GLU A 71 -11.819 -9.163 5.638 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.910 -8.074 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.051 -5.732 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.557 -5.654 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.779 -6.415 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.265 -6.412 6.655 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.264 -8.814 2.817 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.460 -9.045 1.633 1.00 0.00 C ATOM 1148 C GLY A 72 -10.260 -9.652 0.498 1.00 0.00 C ATOM 1149 O GLY A 72 -10.027 -9.337 -0.672 1.00 0.00 O ATOM 0 H GLY A 72 -10.078 -9.453 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.025 -8.101 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.631 -9.707 1.884 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.204 -10.522 0.843 1.00 0.00 N ATOM 1154 CA VAL A 73 -12.052 -11.176 -0.150 1.00 0.00 C ATOM 1155 C VAL A 73 -12.861 -10.148 -0.940 1.00 0.00 C ATOM 1156 O VAL A 73 -13.058 -10.296 -2.150 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.998 -12.214 0.507 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.914 -11.567 1.537 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -13.809 -12.947 -0.547 1.00 0.00 C ATOM 0 H VAL A 73 -11.402 -10.792 1.807 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.395 -11.706 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.375 -12.939 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.562 -12.326 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.312 -11.107 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.524 -10.805 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.466 -13.670 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.409 -12.230 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.135 -13.467 -1.228 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.296 -9.094 -0.256 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.055 -8.031 -0.896 1.00 0.00 C ATOM 1171 C GLU A 74 -13.155 -7.303 -1.883 1.00 0.00 C ATOM 1172 O GLU A 74 -13.500 -7.146 -3.049 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.600 -7.053 0.152 1.00 0.00 C ATOM 1174 CG GLU A 74 -16.024 -6.575 -0.119 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.171 -5.785 -1.405 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.005 -4.544 -1.373 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.482 -6.396 -2.451 1.00 0.00 O ATOM 0 H GLU A 74 -13.135 -8.956 0.742 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.903 -8.462 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.570 -7.532 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.941 -6.186 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.686 -7.440 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.355 -5.957 0.716 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.976 -6.913 -1.413 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.015 -6.183 -2.233 1.00 0.00 C ATOM 1186 C LEU A 75 -10.598 -6.990 -3.462 1.00 0.00 C ATOM 1187 O LEU A 75 -10.426 -6.430 -4.546 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.781 -5.817 -1.406 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.050 -4.913 -0.199 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.763 -4.650 0.565 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -10.682 -3.605 -0.647 1.00 0.00 C ATOM 0 H LEU A 75 -11.660 -7.092 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.501 -5.271 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.313 -6.737 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.061 -5.322 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.747 -5.422 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.972 -4.006 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.348 -5.595 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.044 -4.160 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.867 -2.974 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.008 -3.091 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.625 -3.811 -1.153 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.444 -8.303 -3.293 1.00 0.00 N ATOM 1204 CA ARG A 76 -10.058 -9.177 -4.397 1.00 0.00 C ATOM 1205 C ARG A 76 -11.100 -9.137 -5.512 1.00 0.00 C ATOM 1206 O ARG A 76 -10.762 -8.927 -6.676 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.866 -10.622 -3.925 1.00 0.00 C ATOM 1208 CG ARG A 76 -9.565 -11.584 -5.069 1.00 0.00 C ATOM 1209 CD ARG A 76 -9.526 -13.030 -4.610 1.00 0.00 C ATOM 1210 NE ARG A 76 -8.265 -13.385 -3.959 1.00 0.00 N ATOM 1211 CZ ARG A 76 -8.129 -14.409 -3.114 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -9.192 -15.129 -2.768 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.935 -14.712 -2.621 1.00 0.00 N ATOM 0 H ARG A 76 -10.581 -8.783 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.108 -8.809 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.051 -10.658 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.766 -10.952 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.323 -11.472 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.607 -11.322 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.349 -13.209 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.683 -13.683 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.442 -12.817 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.110 -14.898 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.089 -15.912 -2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.119 -14.162 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.834 -15.495 -1.975 1.00 0.00 H new ATOM 1227 N LYS A 77 -12.361 -9.316 -5.145 1.00 0.00 N ATOM 1228 CA LYS A 77 -13.448 -9.331 -6.117 1.00 0.00 C ATOM 1229 C LYS A 77 -13.699 -7.920 -6.648 1.00 0.00 C ATOM 1230 O LYS A 77 -14.139 -7.728 -7.782 1.00 0.00 O ATOM 1231 CB LYS A 77 -14.721 -9.873 -5.458 1.00 0.00 C ATOM 1232 CG LYS A 77 -15.805 -10.277 -6.444 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.436 -11.555 -7.184 1.00 0.00 C ATOM 1234 CE LYS A 77 -15.312 -12.739 -6.235 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.602 -13.060 -5.568 1.00 0.00 N ATOM 0 H LYS A 77 -12.658 -9.453 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.170 -9.976 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.461 -10.737 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.121 -9.114 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.746 -10.421 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.964 -9.472 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.193 -11.771 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.493 -11.411 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.964 -13.611 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.558 -12.519 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.528 -13.983 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.821 -12.326 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.361 -13.096 -6.278 1.00 0.00 H new ATOM 1249 N LYS A 78 -13.387 -6.947 -5.808 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.648 -5.543 -6.083 1.00 0.00 C ATOM 1251 C LYS A 78 -12.815 -5.036 -7.258 1.00 0.00 C ATOM 1252 O LYS A 78 -13.343 -4.413 -8.178 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.322 -4.731 -4.831 1.00 0.00 C ATOM 1254 CG LYS A 78 -14.075 -3.423 -4.705 1.00 0.00 C ATOM 1255 CD LYS A 78 -13.725 -2.738 -3.394 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.729 -1.658 -3.027 1.00 0.00 C ATOM 1257 NZ LYS A 78 -16.083 -2.219 -2.780 1.00 0.00 N ATOM 0 H LYS A 78 -12.940 -7.111 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.698 -5.429 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.535 -5.342 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.253 -4.520 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.827 -2.770 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.148 -3.607 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.685 -3.481 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.731 -2.297 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.386 -1.132 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.782 -0.923 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.530 -1.712 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.665 -2.109 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.003 -3.228 -2.543 1.00 0.00 H new ATOM 1271 N TYR A 79 -11.516 -5.307 -7.226 1.00 0.00 N ATOM 1272 CA TYR A 79 -10.604 -4.746 -8.220 1.00 0.00 C ATOM 1273 C TYR A 79 -10.170 -5.788 -9.248 1.00 0.00 C ATOM 1274 O TYR A 79 -9.851 -5.443 -10.387 1.00 0.00 O ATOM 1275 CB TYR A 79 -9.379 -4.141 -7.530 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.733 -3.142 -6.448 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.666 -2.139 -6.679 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.146 -3.211 -5.189 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -11.000 -1.232 -5.694 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.477 -2.308 -4.197 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.404 -1.321 -4.455 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.740 -0.419 -3.471 1.00 0.00 O ATOM 0 H TYR A 79 -11.072 -5.906 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.141 -3.963 -8.754 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.783 -4.943 -7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.755 -3.651 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.139 -2.068 -7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.419 -3.983 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.725 -0.457 -5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.012 -2.375 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.649 -0.844 -2.593 1.00 0.00 H new ATOM 1292 N GLY A 80 -10.158 -7.051 -8.846 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.758 -8.119 -9.744 1.00 0.00 C ATOM 1294 C GLY A 80 -8.268 -8.115 -10.022 1.00 0.00 C ATOM 1295 O GLY A 80 -7.843 -8.133 -11.177 1.00 0.00 O ATOM 0 H GLY A 80 -10.419 -7.358 -7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.041 -9.079 -9.311 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.300 -8.021 -10.684 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.475 -8.081 -8.961 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.025 -8.094 -9.084 1.00 0.00 C ATOM 1301 C VAL A 81 -5.513 -9.504 -9.386 1.00 0.00 C ATOM 1302 O VAL A 81 -6.191 -10.490 -9.098 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.363 -7.565 -7.797 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -5.710 -6.102 -7.578 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.769 -8.401 -6.589 1.00 0.00 C ATOM 0 H VAL A 81 -7.814 -8.044 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.758 -7.440 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.283 -7.648 -7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.233 -5.748 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.356 -5.513 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.791 -5.994 -7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.288 -8.006 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.851 -8.361 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.459 -9.435 -6.741 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.322 -9.598 -9.980 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.753 -10.898 -10.350 1.00 0.00 C ATOM 1317 C HIS A 82 -2.237 -10.930 -10.144 1.00 0.00 C ATOM 1318 O HIS A 82 -1.546 -11.802 -10.674 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.085 -11.240 -11.810 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.525 -11.593 -12.034 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.386 -10.812 -12.771 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.253 -12.655 -11.614 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.579 -11.372 -12.792 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.525 -12.493 -12.099 1.00 0.00 N ATOM 0 H HIS A 82 -3.736 -8.797 -10.214 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.202 -11.645 -9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.826 -10.390 -12.441 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.461 -12.075 -12.129 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.898 -13.476 -11.010 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.452 -10.980 -13.292 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.303 -13.135 -11.948 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.727 -10.003 -9.353 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.299 -9.933 -9.075 1.00 0.00 C ATOM 1335 C ALA A 83 -0.021 -10.400 -7.650 1.00 0.00 C ATOM 1336 O ALA A 83 -0.942 -10.804 -6.936 1.00 0.00 O ATOM 1337 CB ALA A 83 0.204 -8.511 -9.281 1.00 0.00 C ATOM 0 H ALA A 83 -2.282 -9.284 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 83 0.231 -10.590 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.273 -8.469 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.025 -8.208 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.325 -7.837 -8.608 1.00 0.00 H new ATOM 1343 N TYR A 84 1.237 -10.359 -7.234 1.00 0.00 N ATOM 1344 CA TYR A 84 1.586 -10.725 -5.863 1.00 0.00 C ATOM 1345 C TYR A 84 1.596 -9.488 -4.961 1.00 0.00 C ATOM 1346 O TYR A 84 0.882 -9.452 -3.958 1.00 0.00 O ATOM 1347 CB TYR A 84 2.936 -11.442 -5.790 1.00 0.00 C ATOM 1348 CG TYR A 84 2.992 -12.732 -6.578 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.527 -13.925 -6.034 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.511 -12.759 -7.866 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.578 -15.103 -6.754 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.565 -13.934 -8.591 1.00 0.00 C ATOM 1353 CZ TYR A 84 3.097 -15.103 -8.030 1.00 0.00 C ATOM 1354 OH TYR A 84 3.148 -16.277 -8.746 1.00 0.00 O ATOM 0 H TYR A 84 2.027 -10.080 -7.816 1.00 0.00 H new ATOM 0 HA TYR A 84 0.823 -11.418 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.712 -10.771 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.166 -11.656 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.120 -13.930 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.879 -11.845 -8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.212 -16.021 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.972 -13.937 -9.592 1.00 0.00 H new ATOM 0 HH TYR A 84 3.540 -16.106 -9.628 1.00 0.00 H new ATOM 1364 N PRO A 85 2.417 -8.459 -5.274 1.00 0.00 N ATOM 1365 CA PRO A 85 2.419 -7.211 -4.540 1.00 0.00 C ATOM 1366 C PRO A 85 1.594 -6.126 -5.243 1.00 0.00 C ATOM 1367 O PRO A 85 1.885 -5.750 -6.381 1.00 0.00 O ATOM 1368 CB PRO A 85 3.905 -6.845 -4.529 1.00 0.00 C ATOM 1369 CG PRO A 85 4.519 -7.558 -5.705 1.00 0.00 C ATOM 1370 CD PRO A 85 3.444 -8.423 -6.319 1.00 0.00 C ATOM 0 HA PRO A 85 1.973 -7.299 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.042 -5.767 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.376 -7.155 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.898 -6.841 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.366 -8.166 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.062 -7.996 -7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.814 -9.420 -6.556 1.00 0.00 H new ATOM 1378 N THR A 86 0.572 -5.630 -4.568 1.00 0.00 N ATOM 1379 CA THR A 86 -0.317 -4.636 -5.146 1.00 0.00 C ATOM 1380 C THR A 86 -0.468 -3.433 -4.220 1.00 0.00 C ATOM 1381 O THR A 86 -0.561 -3.584 -3.001 1.00 0.00 O ATOM 1382 CB THR A 86 -1.705 -5.243 -5.416 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.555 -6.496 -6.089 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.562 -4.313 -6.265 1.00 0.00 C ATOM 0 H THR A 86 0.336 -5.901 -3.613 1.00 0.00 H new ATOM 0 HA THR A 86 0.125 -4.307 -6.087 1.00 0.00 H new ATOM 0 HB THR A 86 -2.204 -5.388 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.439 -6.884 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.536 -4.772 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.695 -3.364 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.070 -4.137 -7.221 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.489 -2.242 -4.800 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.670 -1.028 -4.026 1.00 0.00 C ATOM 1394 C LEU A 87 -2.048 -0.446 -4.295 1.00 0.00 C ATOM 1395 O LEU A 87 -2.347 -0.012 -5.410 1.00 0.00 O ATOM 1396 CB LEU A 87 0.413 -0.004 -4.360 1.00 0.00 C ATOM 1397 CG LEU A 87 1.851 -0.490 -4.166 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.831 0.624 -4.485 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.066 -1.000 -2.746 1.00 0.00 C ATOM 0 H LEU A 87 -0.383 -2.093 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.587 -1.275 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.289 0.308 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.258 0.880 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 87 2.028 -1.318 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.850 0.264 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.699 0.940 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.649 1.470 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.096 -1.340 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.870 -0.196 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.387 -1.830 -2.551 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.891 -0.462 -3.279 1.00 0.00 N ATOM 1412 CA LEU A 88 -4.253 0.023 -3.416 1.00 0.00 C ATOM 1413 C LEU A 88 -4.369 1.443 -2.883 1.00 0.00 C ATOM 1414 O LEU A 88 -4.098 1.699 -1.709 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.223 -0.903 -2.677 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.220 -2.359 -3.160 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.194 -3.195 -2.343 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.566 -2.431 -4.641 1.00 0.00 C ATOM 0 H LEU A 88 -2.656 -0.806 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.513 0.029 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.979 -0.887 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.232 -0.504 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.218 -2.765 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.178 -4.225 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.903 -3.171 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.200 -2.789 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.559 -3.471 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.557 -2.006 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.830 -1.867 -5.214 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.773 2.359 -3.750 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.898 3.760 -3.382 1.00 0.00 C ATOM 1432 C PHE A 89 -6.361 4.174 -3.345 1.00 0.00 C ATOM 1433 O PHE A 89 -7.096 3.959 -4.306 1.00 0.00 O ATOM 1434 CB PHE A 89 -4.148 4.645 -4.381 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.682 4.343 -4.490 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.775 4.935 -3.628 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -2.212 3.473 -5.461 1.00 0.00 C ATOM 1438 CE1 PHE A 89 -0.424 4.666 -3.732 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.863 3.202 -5.570 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.033 3.798 -4.705 1.00 0.00 C ATOM 0 H PHE A 89 -5.021 2.155 -4.718 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.464 3.887 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.605 4.532 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.272 5.688 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.127 5.614 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.908 3.002 -6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.274 5.134 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.508 2.524 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.089 3.586 -4.789 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.776 4.762 -2.239 1.00 0.00 N ATOM 1451 CA ILE A 90 -8.141 5.251 -2.097 1.00 0.00 C ATOM 1452 C ILE A 90 -8.122 6.676 -1.560 1.00 0.00 C ATOM 1453 O ILE A 90 -7.349 6.994 -0.655 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.977 4.337 -1.167 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -9.154 2.956 -1.810 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -10.334 4.959 -0.860 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -9.943 1.980 -0.964 1.00 0.00 C ATOM 0 H ILE A 90 -6.187 4.915 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.612 5.240 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.440 4.224 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.655 3.075 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.170 2.532 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.899 4.295 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.190 5.920 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.885 5.107 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -10.024 1.027 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.433 1.829 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -10.940 2.380 -0.782 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.951 7.537 -2.137 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.979 8.937 -1.738 1.00 0.00 C ATOM 1471 C ASN A 91 -10.075 9.176 -0.707 1.00 0.00 C ATOM 1472 O ASN A 91 -10.822 8.258 -0.361 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.164 9.860 -2.952 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.577 9.884 -3.492 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -11.391 10.687 -3.061 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.873 9.021 -4.450 1.00 0.00 N ATOM 0 H ASN A 91 -9.608 7.292 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.017 9.176 -1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.874 10.873 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.487 9.542 -3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.809 9.010 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.165 8.366 -4.783 1.00 0.00 H new ATOM 1483 N SER A 92 -10.179 10.416 -0.242 1.00 0.00 N ATOM 1484 CA SER A 92 -11.083 10.772 0.848 1.00 0.00 C ATOM 1485 C SER A 92 -12.551 10.542 0.483 1.00 0.00 C ATOM 1486 O SER A 92 -13.405 10.448 1.364 1.00 0.00 O ATOM 1487 CB SER A 92 -10.862 12.233 1.235 1.00 0.00 C ATOM 1488 OG SER A 92 -9.476 12.516 1.365 1.00 0.00 O ATOM 0 H SER A 92 -9.641 11.202 -0.608 1.00 0.00 H new ATOM 0 HA SER A 92 -10.857 10.122 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.302 12.884 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.371 12.446 2.175 1.00 0.00 H new ATOM 0 HG SER A 92 -9.356 13.457 1.612 1.00 0.00 H new ATOM 1494 N SER A 93 -12.847 10.447 -0.808 1.00 0.00 N ATOM 1495 CA SER A 93 -14.206 10.188 -1.251 1.00 0.00 C ATOM 1496 C SER A 93 -14.591 8.725 -1.023 1.00 0.00 C ATOM 1497 O SER A 93 -15.760 8.360 -1.131 1.00 0.00 O ATOM 1498 CB SER A 93 -14.371 10.557 -2.727 1.00 0.00 C ATOM 1499 OG SER A 93 -14.013 11.911 -2.955 1.00 0.00 O ATOM 0 H SER A 93 -12.166 10.545 -1.561 1.00 0.00 H new ATOM 0 HA SER A 93 -14.875 10.812 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.750 9.904 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.404 10.394 -3.033 1.00 0.00 H new ATOM 0 HG SER A 93 -13.040 11.981 -3.050 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.602 7.896 -0.699 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.862 6.488 -0.459 1.00 0.00 C ATOM 1507 C GLY A 94 -13.840 5.671 -1.734 1.00 0.00 C ATOM 1508 O GLY A 94 -14.423 4.589 -1.802 1.00 0.00 O ATOM 0 H GLY A 94 -12.626 8.175 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.116 6.097 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.833 6.378 0.023 1.00 0.00 H new ATOM 1512 N GLU A 95 -13.165 6.186 -2.750 1.00 0.00 N ATOM 1513 CA GLU A 95 -13.087 5.506 -4.033 1.00 0.00 C ATOM 1514 C GLU A 95 -11.642 5.354 -4.477 1.00 0.00 C ATOM 1515 O GLU A 95 -10.771 6.133 -4.078 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.856 6.275 -5.105 1.00 0.00 C ATOM 1517 CG GLU A 95 -15.326 6.480 -4.790 1.00 0.00 C ATOM 1518 CD GLU A 95 -16.041 7.244 -5.880 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -16.535 6.607 -6.832 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -16.099 8.488 -5.804 1.00 0.00 O ATOM 0 H GLU A 95 -12.663 7.073 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.533 4.520 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.387 7.249 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.770 5.741 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.805 5.511 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.422 7.019 -3.847 1.00 0.00 H new ATOM 1527 N VAL A 96 -11.397 4.348 -5.301 1.00 0.00 N ATOM 1528 CA VAL A 96 -10.089 4.148 -5.897 1.00 0.00 C ATOM 1529 C VAL A 96 -10.020 4.863 -7.246 1.00 0.00 C ATOM 1530 O VAL A 96 -10.905 4.703 -8.093 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.770 2.640 -6.072 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -10.856 1.940 -6.875 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -8.415 2.439 -6.733 1.00 0.00 C ATOM 0 H VAL A 96 -12.093 3.654 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.341 4.569 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.736 2.195 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.606 0.884 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.810 2.036 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.931 2.397 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.218 1.373 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.416 2.911 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.638 2.889 -6.115 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.998 5.681 -7.425 1.00 0.00 N ATOM 1544 CA VAL A 97 -8.807 6.395 -8.677 1.00 0.00 C ATOM 1545 C VAL A 97 -7.896 5.597 -9.600 1.00 0.00 C ATOM 1546 O VAL A 97 -8.208 5.383 -10.773 1.00 0.00 O ATOM 1547 CB VAL A 97 -8.197 7.797 -8.445 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -8.073 8.559 -9.757 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -9.025 8.588 -7.442 1.00 0.00 C ATOM 0 H VAL A 97 -8.286 5.868 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.787 6.519 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.197 7.664 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.642 9.542 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.429 8.005 -10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.060 8.676 -10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.577 9.571 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.040 8.705 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.051 8.055 -6.491 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.781 5.135 -9.057 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.811 4.386 -9.834 1.00 0.00 C ATOM 1561 C TYR A 98 -5.342 3.150 -9.071 1.00 0.00 C ATOM 1562 O TYR A 98 -5.073 3.214 -7.872 1.00 0.00 O ATOM 1563 CB TYR A 98 -4.618 5.283 -10.184 1.00 0.00 C ATOM 1564 CG TYR A 98 -3.529 4.584 -10.968 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -3.682 4.316 -12.322 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -2.347 4.195 -10.349 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -2.688 3.676 -13.036 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -1.350 3.557 -11.058 1.00 0.00 C ATOM 1569 CZ TYR A 98 -1.524 3.301 -12.401 1.00 0.00 C ATOM 1570 OH TYR A 98 -0.533 2.664 -13.113 1.00 0.00 O ATOM 0 H TYR A 98 -6.526 5.267 -8.078 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.287 4.053 -10.756 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.975 6.136 -10.761 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.191 5.678 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.591 4.612 -12.824 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.207 4.395 -9.297 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.822 3.470 -14.088 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.437 3.260 -10.563 1.00 0.00 H new ATOM 0 HH TYR A 98 0.222 2.468 -12.520 1.00 0.00 H new ATOM 1580 N ARG A 99 -5.260 2.030 -9.776 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.776 0.785 -9.198 1.00 0.00 C ATOM 1582 C ARG A 99 -3.334 0.533 -9.632 1.00 0.00 C ATOM 1583 O ARG A 99 -3.035 0.514 -10.828 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.670 -0.382 -9.641 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.211 -1.743 -9.140 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.006 -2.871 -9.784 1.00 0.00 C ATOM 1587 NE ARG A 99 -5.796 -2.942 -11.233 1.00 0.00 N ATOM 1588 CZ ARG A 99 -6.198 -3.958 -12.000 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -6.809 -5.008 -11.462 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -5.999 -3.927 -13.309 1.00 0.00 N ATOM 0 H ARG A 99 -5.525 1.959 -10.758 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.809 0.863 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.686 -0.201 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.709 -0.402 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.151 -1.873 -9.357 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.323 -1.790 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.719 -3.820 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.067 -2.728 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.312 -2.166 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.974 -5.042 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.113 -5.780 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.537 -3.124 -13.736 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.308 -4.706 -13.890 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.440 0.347 -8.673 1.00 0.00 N ATOM 1605 CA LEU A 100 -1.048 0.066 -8.987 1.00 0.00 C ATOM 1606 C LEU A 100 -0.766 -1.414 -8.758 1.00 0.00 C ATOM 1607 O LEU A 100 -0.715 -1.878 -7.618 1.00 0.00 O ATOM 1608 CB LEU A 100 -0.120 0.953 -8.135 1.00 0.00 C ATOM 1609 CG LEU A 100 1.354 1.034 -8.579 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.115 -0.237 -8.238 1.00 0.00 C ATOM 1611 CD2 LEU A 100 1.451 1.321 -10.069 1.00 0.00 C ATOM 0 H LEU A 100 -2.652 0.385 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.855 0.297 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.529 1.963 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.147 0.588 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 100 1.814 1.856 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.150 -0.141 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.090 -0.398 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.651 -1.085 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.500 1.374 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.959 0.524 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.964 2.271 -10.289 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.604 -2.154 -9.843 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.316 -3.574 -9.753 1.00 0.00 C ATOM 1625 C VAL A 101 1.156 -3.842 -10.030 1.00 0.00 C ATOM 1626 O VAL A 101 1.744 -3.268 -10.952 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.188 -4.415 -10.715 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.644 -4.383 -10.283 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.057 -3.927 -12.149 1.00 0.00 C ATOM 0 H VAL A 101 -0.667 -1.794 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.558 -3.878 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.830 -5.443 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.241 -4.980 -10.972 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.734 -4.792 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.003 -3.354 -10.290 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.682 -4.538 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.378 -2.887 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.017 -4.005 -12.466 1.00 0.00 H new ATOM 1639 N GLY A 102 1.748 -4.697 -9.213 1.00 0.00 N ATOM 1640 CA GLY A 102 3.140 -5.039 -9.376 1.00 0.00 C ATOM 1641 C GLY A 102 4.055 -4.056 -8.688 1.00 0.00 C ATOM 1642 O GLY A 102 4.075 -2.864 -9.010 1.00 0.00 O ATOM 0 H GLY A 102 1.283 -5.163 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.316 -6.037 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.381 -5.075 -10.438 1.00 0.00 H new ATOM 1646 N ALA A 103 4.814 -4.561 -7.745 1.00 0.00 N ATOM 1647 CA ALA A 103 5.748 -3.742 -6.997 1.00 0.00 C ATOM 1648 C ALA A 103 7.157 -3.943 -7.522 1.00 0.00 C ATOM 1649 O ALA A 103 7.515 -5.037 -7.966 1.00 0.00 O ATOM 1650 CB ALA A 103 5.681 -4.065 -5.515 1.00 0.00 C ATOM 0 H ALA A 103 4.805 -5.544 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 103 5.471 -2.696 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.390 -3.439 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.673 -3.874 -5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.932 -5.114 -5.360 1.00 0.00 H new ATOM 1656 N GLU A 104 7.943 -2.884 -7.477 1.00 0.00 N ATOM 1657 CA GLU A 104 9.308 -2.913 -7.977 1.00 0.00 C ATOM 1658 C GLU A 104 10.267 -2.635 -6.833 1.00 0.00 C ATOM 1659 O GLU A 104 9.848 -2.529 -5.677 1.00 0.00 O ATOM 1660 CB GLU A 104 9.512 -1.844 -9.055 1.00 0.00 C ATOM 1661 CG GLU A 104 8.350 -1.684 -10.021 1.00 0.00 C ATOM 1662 CD GLU A 104 8.114 -2.891 -10.901 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.032 -3.719 -11.047 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.001 -3.011 -11.455 1.00 0.00 O ATOM 0 H GLU A 104 7.657 -1.983 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 104 9.498 -3.897 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.695 -0.887 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.409 -2.089 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.443 -1.478 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.533 -0.816 -10.654 1.00 0.00 H new ATOM 1671 N ASP A 105 11.548 -2.521 -7.155 1.00 0.00 N ATOM 1672 CA ASP A 105 12.535 -2.052 -6.193 1.00 0.00 C ATOM 1673 C ASP A 105 12.175 -0.632 -5.760 1.00 0.00 C ATOM 1674 O ASP A 105 11.462 0.066 -6.485 1.00 0.00 O ATOM 1675 CB ASP A 105 13.944 -2.085 -6.796 1.00 0.00 C ATOM 1676 CG ASP A 105 14.372 -3.484 -7.192 1.00 0.00 C ATOM 1677 OD1 ASP A 105 13.971 -3.948 -8.277 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.101 -4.136 -6.410 1.00 0.00 O ATOM 0 H ASP A 105 11.928 -2.747 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 105 12.529 -2.712 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.976 -1.437 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.654 -1.682 -6.074 1.00 0.00 H new ATOM 1683 N ALA A 106 12.676 -0.210 -4.601 1.00 0.00 N ATOM 1684 CA ALA A 106 12.270 1.063 -3.984 1.00 0.00 C ATOM 1685 C ALA A 106 12.196 2.237 -4.982 1.00 0.00 C ATOM 1686 O ALA A 106 11.134 2.842 -5.123 1.00 0.00 O ATOM 1687 CB ALA A 106 13.170 1.408 -2.799 1.00 0.00 C ATOM 0 H ALA A 106 13.369 -0.731 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 106 11.253 0.911 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.849 2.353 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.103 0.619 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.201 1.498 -3.140 1.00 0.00 H new ATOM 1693 N PRO A 107 13.291 2.575 -5.709 1.00 0.00 N ATOM 1694 CA PRO A 107 13.281 3.719 -6.633 1.00 0.00 C ATOM 1695 C PRO A 107 12.293 3.543 -7.784 1.00 0.00 C ATOM 1696 O PRO A 107 11.601 4.485 -8.169 1.00 0.00 O ATOM 1697 CB PRO A 107 14.720 3.776 -7.166 1.00 0.00 C ATOM 1698 CG PRO A 107 15.523 2.971 -6.205 1.00 0.00 C ATOM 1699 CD PRO A 107 14.602 1.896 -5.713 1.00 0.00 C ATOM 0 HA PRO A 107 12.964 4.632 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.784 3.365 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.081 4.803 -7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.401 2.544 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.882 3.588 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.606 1.026 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 107 14.881 1.546 -4.719 1.00 0.00 H new ATOM 1707 N GLU A 108 12.220 2.328 -8.316 1.00 0.00 N ATOM 1708 CA GLU A 108 11.364 2.037 -9.456 1.00 0.00 C ATOM 1709 C GLU A 108 9.893 2.080 -9.046 1.00 0.00 C ATOM 1710 O GLU A 108 9.044 2.576 -9.789 1.00 0.00 O ATOM 1711 CB GLU A 108 11.727 0.669 -10.037 1.00 0.00 C ATOM 1712 CG GLU A 108 11.027 0.341 -11.345 1.00 0.00 C ATOM 1713 CD GLU A 108 11.326 1.338 -12.446 1.00 0.00 C ATOM 1714 OE1 GLU A 108 12.407 1.962 -12.418 1.00 0.00 O ATOM 1715 OE2 GLU A 108 10.485 1.491 -13.355 1.00 0.00 O ATOM 0 H GLU A 108 12.747 1.526 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 108 11.521 2.796 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.805 0.628 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.483 -0.100 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.329 -0.654 -11.672 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.951 0.308 -11.176 1.00 0.00 H new ATOM 1722 N LEU A 109 9.598 1.577 -7.850 1.00 0.00 N ATOM 1723 CA LEU A 109 8.240 1.608 -7.322 1.00 0.00 C ATOM 1724 C LEU A 109 7.799 3.043 -7.109 1.00 0.00 C ATOM 1725 O LEU A 109 6.688 3.425 -7.474 1.00 0.00 O ATOM 1726 CB LEU A 109 8.155 0.852 -5.999 1.00 0.00 C ATOM 1727 CG LEU A 109 6.739 0.694 -5.431 1.00 0.00 C ATOM 1728 CD1 LEU A 109 5.831 -0.023 -6.421 1.00 0.00 C ATOM 1729 CD2 LEU A 109 6.780 -0.052 -4.107 1.00 0.00 C ATOM 0 H LEU A 109 10.282 1.144 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 109 7.583 1.126 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.588 -0.139 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.770 1.369 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 109 6.329 1.689 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.833 -0.122 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.774 0.552 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.234 -1.013 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.768 -0.156 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.214 -1.040 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.388 0.505 -3.394 1.00 0.00 H new ATOM 1741 N LEU A 110 8.686 3.826 -6.508 1.00 0.00 N ATOM 1742 CA LEU A 110 8.441 5.250 -6.289 1.00 0.00 C ATOM 1743 C LEU A 110 8.044 5.951 -7.585 1.00 0.00 C ATOM 1744 O LEU A 110 7.171 6.819 -7.583 1.00 0.00 O ATOM 1745 CB LEU A 110 9.679 5.925 -5.691 1.00 0.00 C ATOM 1746 CG LEU A 110 9.969 5.577 -4.231 1.00 0.00 C ATOM 1747 CD1 LEU A 110 11.256 6.241 -3.771 1.00 0.00 C ATOM 1748 CD2 LEU A 110 8.807 5.998 -3.345 1.00 0.00 C ATOM 0 H LEU A 110 9.587 3.498 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 110 7.613 5.336 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.547 5.653 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.560 7.005 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 110 10.092 4.497 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.447 5.982 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.085 5.895 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.161 7.323 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.029 5.743 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.656 7.074 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.902 5.479 -3.660 1.00 0.00 H new ATOM 1760 N LYS A 111 8.679 5.564 -8.688 1.00 0.00 N ATOM 1761 CA LYS A 111 8.352 6.124 -9.994 1.00 0.00 C ATOM 1762 C LYS A 111 6.900 5.817 -10.357 1.00 0.00 C ATOM 1763 O LYS A 111 6.148 6.708 -10.745 1.00 0.00 O ATOM 1764 CB LYS A 111 9.287 5.569 -11.077 1.00 0.00 C ATOM 1765 CG LYS A 111 10.763 5.835 -10.818 1.00 0.00 C ATOM 1766 CD LYS A 111 11.060 7.322 -10.716 1.00 0.00 C ATOM 1767 CE LYS A 111 12.535 7.580 -10.443 1.00 0.00 C ATOM 1768 NZ LYS A 111 13.402 7.110 -11.558 1.00 0.00 N ATOM 0 H LYS A 111 9.422 4.865 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 111 8.485 7.204 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.132 4.493 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.013 6.006 -12.037 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.065 5.340 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 111 11.357 5.400 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 111 10.769 7.816 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.460 7.760 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.693 8.647 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.826 7.076 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.369 7.468 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.416 6.070 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.028 7.463 -12.462 1.00 0.00 H new ATOM 1782 N LYS A 112 6.512 4.553 -10.197 1.00 0.00 N ATOM 1783 CA LYS A 112 5.159 4.109 -10.533 1.00 0.00 C ATOM 1784 C LYS A 112 4.119 4.775 -9.639 1.00 0.00 C ATOM 1785 O LYS A 112 3.044 5.154 -10.100 1.00 0.00 O ATOM 1786 CB LYS A 112 5.044 2.589 -10.398 1.00 0.00 C ATOM 1787 CG LYS A 112 6.054 1.827 -11.235 1.00 0.00 C ATOM 1788 CD LYS A 112 5.960 0.328 -11.009 1.00 0.00 C ATOM 1789 CE LYS A 112 4.698 -0.266 -11.616 1.00 0.00 C ATOM 1790 NZ LYS A 112 4.656 -1.748 -11.466 1.00 0.00 N ATOM 0 H LYS A 112 7.117 3.816 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 112 4.968 4.398 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.172 2.315 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.039 2.282 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.890 2.046 -12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.060 2.169 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.834 -0.159 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.978 0.122 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.823 0.173 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.646 -0.006 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.844 -2.127 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.535 -2.160 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.560 -1.992 -10.460 1.00 0.00 H new ATOM 1804 N VAL A 113 4.444 4.908 -8.357 1.00 0.00 N ATOM 1805 CA VAL A 113 3.536 5.524 -7.394 1.00 0.00 C ATOM 1806 C VAL A 113 3.356 7.011 -7.697 1.00 0.00 C ATOM 1807 O VAL A 113 2.232 7.511 -7.756 1.00 0.00 O ATOM 1808 CB VAL A 113 4.046 5.352 -5.944 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.119 6.044 -4.951 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.183 3.877 -5.601 1.00 0.00 C ATOM 0 H VAL A 113 5.331 4.597 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 113 2.575 5.017 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 113 5.028 5.821 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.502 5.907 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.071 7.109 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.121 5.612 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.543 3.773 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.213 3.390 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.892 3.409 -6.284 1.00 0.00 H new ATOM 1820 N LYS A 114 4.467 7.699 -7.917 1.00 0.00 N ATOM 1821 CA LYS A 114 4.445 9.129 -8.197 1.00 0.00 C ATOM 1822 C LYS A 114 3.712 9.408 -9.507 1.00 0.00 C ATOM 1823 O LYS A 114 2.961 10.377 -9.620 1.00 0.00 O ATOM 1824 CB LYS A 114 5.882 9.665 -8.256 1.00 0.00 C ATOM 1825 CG LYS A 114 5.988 11.174 -8.420 1.00 0.00 C ATOM 1826 CD LYS A 114 5.319 11.925 -7.277 1.00 0.00 C ATOM 1827 CE LYS A 114 5.954 11.603 -5.930 1.00 0.00 C ATOM 1828 NZ LYS A 114 5.352 12.402 -4.829 1.00 0.00 N ATOM 0 H LYS A 114 5.400 7.288 -7.907 1.00 0.00 H new ATOM 0 HA LYS A 114 3.909 9.640 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.402 9.374 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.401 9.185 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.039 11.459 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.529 11.468 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.385 12.997 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.259 11.671 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.833 10.541 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.025 11.799 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.397 11.860 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.878 13.292 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.359 12.613 -5.056 1.00 0.00 H new ATOM 1842 N LEU A 115 3.926 8.544 -10.488 1.00 0.00 N ATOM 1843 CA LEU A 115 3.293 8.684 -11.791 1.00 0.00 C ATOM 1844 C LEU A 115 1.832 8.219 -11.731 1.00 0.00 C ATOM 1845 O LEU A 115 1.001 8.619 -12.547 1.00 0.00 O ATOM 1846 CB LEU A 115 4.101 7.879 -12.826 1.00 0.00 C ATOM 1847 CG LEU A 115 3.785 8.125 -14.308 1.00 0.00 C ATOM 1848 CD1 LEU A 115 2.602 7.288 -14.762 1.00 0.00 C ATOM 1849 CD2 LEU A 115 3.526 9.601 -14.568 1.00 0.00 C ATOM 0 H LEU A 115 4.538 7.732 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 115 3.285 9.732 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.159 8.089 -12.667 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.952 6.819 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 115 4.656 7.821 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.401 7.483 -15.815 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.831 6.231 -14.626 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.724 7.548 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.304 9.751 -15.625 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.678 9.933 -13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.410 10.179 -14.297 1.00 0.00 H new ATOM 1861 N GLY A 116 1.524 7.381 -10.754 1.00 0.00 N ATOM 1862 CA GLY A 116 0.188 6.828 -10.638 1.00 0.00 C ATOM 1863 C GLY A 116 -0.768 7.717 -9.862 1.00 0.00 C ATOM 1864 O GLY A 116 -1.949 7.811 -10.204 1.00 0.00 O ATOM 0 H GLY A 116 2.178 7.071 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.215 6.658 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.247 5.856 -10.149 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.272 8.355 -8.811 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.113 9.207 -7.974 1.00 0.00 C ATOM 1870 C VAL A 117 -1.266 10.596 -8.590 1.00 0.00 C ATOM 1871 O VAL A 117 -2.377 11.118 -8.697 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.552 9.333 -6.541 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.485 10.160 -5.669 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.335 7.958 -5.926 1.00 0.00 C ATOM 0 H VAL A 117 0.703 8.301 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.092 8.731 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 117 0.410 9.842 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.071 10.236 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.591 11.158 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.462 9.679 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.061 8.069 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.284 7.423 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.374 7.395 -6.534 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.153 11.186 -9.005 1.00 0.00 N ATOM 1885 CA GLU A 118 -0.184 12.509 -9.613 1.00 0.00 C ATOM 1886 C GLU A 118 -0.690 12.423 -11.049 1.00 0.00 C ATOM 1887 O GLU A 118 -0.377 11.473 -11.770 1.00 0.00 O ATOM 1888 CB GLU A 118 1.193 13.171 -9.563 1.00 0.00 C ATOM 1889 CG GLU A 118 1.429 13.999 -8.305 1.00 0.00 C ATOM 1890 CD GLU A 118 1.483 13.172 -7.033 1.00 0.00 C ATOM 1891 OE1 GLU A 118 0.430 12.683 -6.589 1.00 0.00 O ATOM 1892 OE2 GLU A 118 2.582 13.030 -6.455 1.00 0.00 O ATOM 0 H GLU A 118 0.777 10.773 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.873 13.129 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.960 12.399 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.310 13.812 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.365 14.547 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.634 14.739 -8.213 1.00 0.00 H new